NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9592 | 1ocp | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 616 H/Q atoms Start of MODEL 1 1 1H MET 1 HT2 MET 1 45.515 -4.211 22.677 2 2H MET 1 HT1 MET 1 45.009 -4.059 24.291 3 3H MET 1 HT3 MET 1 44.399 -3.006 23.110 4 HA MET 1 HA MET 1 46.324 -1.788 22.964 5 1HB MET 1 HB2 MET 1 45.572 -2.661 25.681 6 2HB MET 1 HB1 MET 1 47.200 -1.992 25.569 7 1HG MET 1 HG2 MET 1 44.927 -0.552 24.236 8 2HG MET 1 HG1 MET 1 45.154 -0.386 25.977 9 1HE MET 1 HE2 MET 1 45.001 1.543 23.804 10 2HE MET 1 HE1 MET 1 45.772 2.639 24.949 11 3HE MET 1 HE3 MET 1 46.448 2.429 23.328 12 H GLU 2 HN GLU 2 47.068 -4.800 24.740 13 HA GLU 2 HA GLU 2 49.884 -4.600 23.803 14 1HB GLU 2 HB2 GLU 2 49.070 -5.144 26.262 15 2HB GLU 2 HB1 GLU 2 48.894 -6.776 25.616 16 1HG GLU 2 HG2 GLU 2 51.190 -6.949 25.099 17 2HG GLU 2 HG1 GLU 2 51.432 -5.203 25.192 18 H THR 3 HN THR 3 48.225 -5.134 21.717 19 HA THR 3 HA THR 3 48.678 -8.050 21.229 20 HB THR 3 HB THR 3 46.264 -7.601 21.488 21 HG1 THR 3 HG1 THR 3 46.985 -9.125 19.940 22 1HG2 THR 3 HG22 THR 3 46.593 -5.160 20.605 23 2HG2 THR 3 HG21 THR 3 46.353 -5.888 19.018 24 3HG2 THR 3 HG23 THR 3 45.089 -6.005 20.242 25 H LEU 4 HN LEU 4 49.313 -8.591 19.068 26 HA LEU 4 HA LEU 4 50.002 -6.285 17.305 27 1HB LEU 4 HB2 LEU 4 52.203 -7.398 16.834 28 2HB LEU 4 HB1 LEU 4 52.053 -6.824 18.495 29 HG LEU 4 HG LEU 4 51.120 -9.599 17.974 30 1HD1 LEU 4 HD12 LEU 4 53.366 -9.142 16.702 31 2HD1 LEU 4 HD11 LEU 4 54.070 -9.124 18.319 32 3HD1 LEU 4 HD13 LEU 4 53.240 -10.566 17.735 33 1HD2 LEU 4 HD22 LEU 4 51.212 -8.329 20.212 34 2HD2 LEU 4 HD21 LEU 4 51.913 -9.947 20.193 35 3HD2 LEU 4 HD23 LEU 4 52.961 -8.531 20.122 36 H VAL 5 HN VAL 5 47.786 -7.748 16.782 37 HA VAL 5 HA VAL 5 48.563 -9.203 14.328 38 HB VAL 5 HB VAL 5 46.711 -10.470 16.366 39 1HG1 VAL 5 HG13 VAL 5 47.698 -11.148 13.626 40 2HG1 VAL 5 HG12 VAL 5 47.449 -12.469 14.767 41 3HG1 VAL 5 HG11 VAL 5 46.106 -11.409 14.340 42 1HG2 VAL 5 HG23 VAL 5 49.637 -10.982 15.747 43 2HG2 VAL 5 HG22 VAL 5 48.942 -10.515 17.299 44 3HG2 VAL 5 HG21 VAL 5 48.618 -12.116 16.633 45 H GLN 6 HN GLN 6 47.114 -6.671 15.106 46 HA GLN 6 HA GLN 6 44.745 -7.132 13.388 47 1HB GLN 6 HB2 GLN 6 44.662 -6.060 16.214 48 2HB GLN 6 HB1 GLN 6 43.387 -5.711 15.045 49 1HG GLN 6 HG2 GLN 6 42.879 -8.046 14.780 50 2HG GLN 6 HG1 GLN 6 44.307 -8.520 15.701 51 1HE2 GLN 6 HE22 GLN 6 41.164 -6.865 17.794 52 2HE2 GLN 6 HE21 GLN 6 41.444 -6.360 16.198 53 H ALA 7 HN ALA 7 46.959 -5.882 12.483 54 HA ALA 7 HA ALA 7 46.985 -3.041 12.990 55 1HB ALA 7 HB3 ALA 7 48.781 -4.750 11.902 56 2HB ALA 7 HB2 ALA 7 48.089 -4.063 10.432 57 3HB ALA 7 HB1 ALA 7 48.830 -3.007 11.636 58 NH1 ARG 8 NH2 ARG 8 45.875 3.046 13.302 59 NH2 ARG 8 NH1 ARG 8 44.953 1.564 14.739 60 H ARG 8 HN ARG 8 46.840 -1.630 10.822 61 HA ARG 8 HA ARG 8 44.107 -2.067 9.802 62 1HB ARG 8 HB2 ARG 8 45.887 0.369 9.553 63 2HB ARG 8 HB1 ARG 8 44.175 0.280 9.137 64 1HG ARG 8 HG2 ARG 8 43.735 -0.389 11.544 65 2HG ARG 8 HG1 ARG 8 45.416 0.023 11.885 66 1HD ARG 8 HD2 ARG 8 45.000 2.312 10.989 67 2HD ARG 8 HD1 ARG 8 43.302 1.890 10.770 68 HE ARG 8 HE ARG 8 42.998 2.124 13.102 69 1HH1 ARG 8 HH21 ARG 8 45.847 3.543 12.435 70 2HH1 ARG 8 HH22 ARG 8 46.637 3.185 13.935 71 1HH2 ARG 8 HH11 ARG 8 44.219 0.927 14.973 72 2HH2 ARG 8 HH12 ARG 8 45.715 1.703 15.371 73 H LYS 9 HN LYS 9 47.344 -1.216 8.561 74 HA LYS 9 HA LYS 9 46.486 -2.238 5.911 75 1HB LYS 9 HB2 LYS 9 48.283 -0.016 6.756 76 2HB LYS 9 HB1 LYS 9 48.706 -0.889 5.283 77 1HG LYS 9 HG2 LYS 9 45.912 0.152 5.761 78 2HG LYS 9 HG1 LYS 9 47.160 1.152 5.017 79 1HD LYS 9 HD2 LYS 9 47.292 -0.184 3.115 80 2HD LYS 9 HD1 LYS 9 46.679 -1.611 3.951 81 1HE LYS 9 HE2 LYS 9 44.449 -0.485 4.127 82 2HE LYS 9 HE1 LYS 9 45.083 0.839 3.151 83 1HZ LYS 9 HZ3 LYS 9 45.092 -1.993 2.274 84 2HZ LYS 9 HZ2 LYS 9 43.855 -0.895 1.884 85 3HZ LYS 9 HZ1 LYS 9 45.440 -0.624 1.336 86 NH1 ARG 10 NH1 ARG 10 53.812 -7.029 4.115 87 NH2 ARG 10 NH2 ARG 10 51.904 -8.219 3.886 88 H ARG 10 HN ARG 10 49.362 -2.019 8.025 89 HA ARG 10 HA ARG 10 49.981 -4.819 7.504 90 1HB ARG 10 HB2 ARG 10 51.038 -3.041 5.712 91 2HB ARG 10 HB1 ARG 10 52.317 -3.103 6.924 92 1HG ARG 10 HG2 ARG 10 52.944 -4.906 5.623 93 2HG ARG 10 HG1 ARG 10 51.859 -5.724 6.747 94 1HD ARG 10 HD2 ARG 10 50.316 -6.141 5.136 95 2HD ARG 10 HD1 ARG 10 50.486 -4.535 4.427 96 HE ARG 10 HE ARG 10 51.906 -5.514 2.838 97 1HH1 ARG 10 HH11 ARG 10 54.288 -6.149 4.128 98 2HH1 ARG 10 HH12 ARG 10 54.322 -7.875 4.265 99 1HH2 ARG 10 HH21 ARG 10 50.917 -8.253 3.724 100 2HH2 ARG 10 HH22 ARG 10 52.415 -9.065 4.036 101 H LYS 11 HN LYS 11 51.921 -1.984 8.517 102 HA LYS 11 HA LYS 11 51.784 -2.770 11.311 103 1HB LYS 11 HB2 LYS 11 54.218 -3.186 11.553 104 2HB LYS 11 HB1 LYS 11 53.450 -4.383 10.511 105 1HG LYS 11 HG2 LYS 11 54.135 -2.919 8.536 106 2HG LYS 11 HG1 LYS 11 55.128 -2.008 9.672 107 1HD LYS 11 HD2 LYS 11 56.747 -3.532 9.233 108 2HD LYS 11 HD1 LYS 11 55.813 -4.631 10.247 109 1HE LYS 11 HE2 LYS 11 56.212 -5.763 8.159 110 2HE LYS 11 HE1 LYS 11 54.514 -5.286 8.174 111 1HZ LYS 11 HZ3 LYS 11 55.448 -3.158 7.039 112 2HZ LYS 11 HZ2 LYS 11 56.748 -4.171 6.626 113 3HZ LYS 11 HZ1 LYS 11 55.172 -4.558 6.122 114 NH1 ARG 12 NH1 ARG 12 49.393 0.209 16.249 115 NH2 ARG 12 NH2 ARG 12 48.169 -1.535 15.495 116 H ARG 12 HN ARG 12 53.041 -1.250 12.687 117 HA ARG 12 HA ARG 12 53.810 1.279 11.308 118 1HB ARG 12 HB2 ARG 12 52.588 2.547 13.105 119 2HB ARG 12 HB1 ARG 12 51.528 1.663 12.007 120 1HG ARG 12 HG2 ARG 12 52.439 0.158 14.397 121 2HG ARG 12 HG1 ARG 12 51.341 1.502 14.714 122 1HD ARG 12 HD2 ARG 12 49.646 0.587 13.318 123 2HD ARG 12 HD1 ARG 12 50.766 -0.557 12.579 124 HE ARG 12 HE ARG 12 50.631 -1.916 14.563 125 1HH1 ARG 12 HH11 ARG 12 50.215 0.777 16.199 126 2HH1 ARG 12 HH12 ARG 12 48.687 0.411 16.928 127 1HH2 ARG 12 HH21 ARG 12 48.053 -2.304 14.867 128 2HH2 ARG 12 HH22 ARG 12 47.463 -1.333 16.174 129 H THR 13 HN THR 13 55.072 -1.075 12.987 130 HA THR 13 HA THR 13 56.176 0.333 15.304 131 HB THR 13 HB THR 13 57.290 -2.198 14.088 132 HG1 THR 13 HG1 THR 13 55.441 -3.085 14.445 133 1HG2 THR 13 HG22 THR 13 58.216 -0.824 16.155 134 2HG2 THR 13 HG21 THR 13 56.910 -1.650 17.006 135 3HG2 THR 13 HG23 THR 13 58.166 -2.587 16.197 136 H SER 14 HN SER 14 57.038 -0.268 11.967 137 HA SER 14 HA SER 14 59.210 1.688 12.165 138 1HB SER 14 HB2 SER 14 60.755 0.010 10.923 139 2HB SER 14 HB1 SER 14 60.572 -0.181 12.665 140 HG SER 14 HG SER 14 59.460 -1.677 10.555 141 H ILE 15 HN ILE 15 56.621 1.447 10.852 142 HA ILE 15 HA ILE 15 57.486 2.133 8.130 143 HB ILE 15 HB ILE 15 55.544 -0.129 8.682 144 1HG1 ILE 15 HG12 ILE 15 57.963 -0.719 8.611 145 2HG1 ILE 15 HG11 ILE 15 57.073 -1.426 7.268 146 1HG2 ILE 15 HG22 ILE 15 55.857 1.675 6.324 147 2HG2 ILE 15 HG21 ILE 15 55.657 -0.045 5.988 148 3HG2 ILE 15 HG23 ILE 15 54.425 0.824 6.905 149 1HD1 ILE 15 HD11 ILE 15 57.987 1.180 6.466 150 2HD1 ILE 15 HD13 ILE 15 59.353 0.285 7.135 151 3HD1 ILE 15 HD12 ILE 15 58.423 -0.391 5.800 152 H GLU 16 HN GLU 16 56.784 4.158 9.319 153 HA GLU 16 HA GLU 16 54.013 4.601 9.900 154 1HB GLU 16 HB2 GLU 16 56.330 6.453 9.318 155 2HB GLU 16 HB1 GLU 16 54.703 7.059 9.633 156 1HG GLU 16 HG2 GLU 16 55.788 5.055 11.551 157 2HG GLU 16 HG1 GLU 16 56.488 6.673 11.604 158 H ASN 17 HN ASN 17 52.523 5.828 8.551 159 HA ASN 17 HA ASN 17 52.466 4.985 5.833 160 1HB ASN 17 HB2 ASN 17 50.565 5.959 7.398 161 2HB ASN 17 HB1 ASN 17 51.043 7.493 6.668 162 1HD2 ASN 17 HD22 ASN 17 48.796 6.668 4.049 163 2HD2 ASN 17 HD21 ASN 17 49.122 7.713 5.346 164 NH1 ARG 18 NH1 ARG 18 52.057 12.702 8.281 165 NH2 ARG 18 NH2 ARG 18 53.374 14.457 7.734 166 H ARG 18 HN ARG 18 54.015 7.695 7.366 167 HA ARG 18 HA ARG 18 54.396 9.175 4.876 168 1HB ARG 18 HB2 ARG 18 54.631 9.752 7.631 169 2HB ARG 18 HB1 ARG 18 56.266 9.886 6.985 170 1HG ARG 18 HG2 ARG 18 55.278 12.045 6.711 171 2HG ARG 18 HG1 ARG 18 55.261 11.303 5.111 172 1HD ARG 18 HD2 ARG 18 52.975 11.039 5.103 173 2HD ARG 18 HD1 ARG 18 52.890 10.819 6.851 174 HE ARG 18 HE ARG 18 52.857 13.401 5.427 175 1HH1 ARG 18 HH11 ARG 18 51.618 11.839 8.032 176 2HH1 ARG 18 HH12 ARG 18 51.927 13.084 9.196 177 1HH2 ARG 18 HH21 ARG 18 53.943 14.938 7.067 178 2HH2 ARG 18 HH22 ARG 18 53.245 14.840 8.649 179 H VAL 19 HN VAL 19 56.152 6.788 6.787 180 HA VAL 19 HA VAL 19 58.682 7.132 5.501 181 HB VAL 19 HB VAL 19 57.907 5.639 7.633 182 1HG1 VAL 19 HG11 VAL 19 58.131 3.665 5.343 183 2HG1 VAL 19 HG13 VAL 19 58.442 3.239 7.015 184 3HG1 VAL 19 HG12 VAL 19 56.842 3.800 6.538 185 1HG2 VAL 19 HG22 VAL 19 60.201 6.407 6.771 186 2HG2 VAL 19 HG21 VAL 19 60.170 4.910 7.702 187 3HG2 VAL 19 HG23 VAL 19 60.284 4.853 5.942 188 NH1 ARG 20 NH2 ARG 20 52.347 -0.916 2.839 189 NH2 ARG 20 NH1 ARG 20 53.526 -1.730 4.587 190 H ARG 20 HN ARG 20 55.948 4.982 4.786 191 HA ARG 20 HA ARG 20 57.130 3.670 2.552 192 1HB ARG 20 HB2 ARG 20 54.269 4.296 3.273 193 2HB ARG 20 HB1 ARG 20 54.678 3.416 1.804 194 1HG ARG 20 HG2 ARG 20 56.025 1.832 3.287 195 2HG ARG 20 HG1 ARG 20 55.232 2.605 4.661 196 1HD ARG 20 HD2 ARG 20 53.185 1.687 4.173 197 2HD ARG 20 HD1 ARG 20 53.470 1.717 2.433 198 HE ARG 20 HE ARG 20 55.239 -0.201 3.318 199 1HH1 ARG 20 HH21 ARG 20 52.244 -0.252 2.098 200 2HH1 ARG 20 HH22 ARG 20 51.651 -1.618 2.982 201 1HH2 ARG 20 HH11 ARG 20 54.327 -1.691 5.186 202 2HH2 ARG 20 HH12 ARG 20 52.830 -2.433 4.729 203 CH2 TRP 21 CH2 TRP 21 52.467 3.676 -1.476 204 H TRP 21 HN TRP 21 55.166 6.642 2.623 205 HA TRP 21 HA TRP 21 55.657 6.976 -0.221 206 1HB TRP 21 HB2 TRP 21 54.278 8.853 1.693 207 2HB TRP 21 HB1 TRP 21 54.282 8.992 -0.075 208 HD1 TRP 21 HD1 TRP 21 51.818 8.065 2.141 209 HE1 TRP 21 HE1 TRP 21 50.463 5.963 1.496 210 HE3 TRP 21 HE3 TRP 21 54.894 6.030 -1.419 211 HZ2 TRP 21 HZ2 TRP 21 50.692 3.692 -0.267 212 HZ3 TRP 21 HZ3 TRP 21 54.343 3.916 -2.510 213 HH2 TRP 21 HH2 TRP 21 52.214 2.754 -1.978 214 H SER 22 HN SER 22 57.541 7.481 2.417 215 HA SER 22 HA SER 22 59.009 9.791 1.404 216 1HB SER 22 HB2 SER 22 58.965 8.869 3.873 217 2HB SER 22 HB1 SER 22 60.138 7.701 3.272 218 HG SER 22 HG SER 22 61.548 9.304 2.881 219 H LEU 23 HN LEU 23 59.068 6.251 1.343 220 HA LEU 23 HA LEU 23 61.456 5.752 -0.140 221 1HB LEU 23 HB2 LEU 23 58.754 4.417 -0.417 222 2HB LEU 23 HB1 LEU 23 60.250 3.747 -0.999 223 HG LEU 23 HG LEU 23 59.954 4.362 1.915 224 1HD1 LEU 23 HD11 LEU 23 57.947 3.043 0.780 225 2HD1 LEU 23 HD13 LEU 23 59.105 1.715 0.739 226 3HD1 LEU 23 HD12 LEU 23 58.642 2.436 2.279 227 1HD2 LEU 23 HD22 LEU 23 61.547 2.536 0.119 228 2HD2 LEU 23 HD21 LEU 23 62.114 3.554 1.443 229 3HD2 LEU 23 HD23 LEU 23 61.264 2.049 1.789 230 H GLU 24 HN GLU 24 58.122 6.410 -1.092 231 HA GLU 24 HA GLU 24 58.282 6.245 -3.874 232 1HB GLU 24 HB2 GLU 24 56.395 7.114 -2.051 233 2HB GLU 24 HB1 GLU 24 56.707 8.564 -2.998 234 1HG GLU 24 HG2 GLU 24 56.370 7.199 -5.082 235 2HG GLU 24 HG1 GLU 24 55.885 5.845 -4.060 236 H THR 25 HN THR 25 58.830 9.281 -2.000 237 HA THR 25 HA THR 25 59.557 10.813 -4.297 238 HB THR 25 HB THR 25 58.991 11.929 -2.208 239 HG1 THR 25 HG1 THR 25 60.712 13.371 -2.183 240 1HG2 THR 25 HG22 THR 25 61.368 10.393 -1.175 241 2HG2 THR 25 HG21 THR 25 60.823 11.871 -0.382 242 3HG2 THR 25 HG23 THR 25 59.739 10.486 -0.505 243 H MET 26 HN MET 26 61.378 8.567 -2.309 244 HA MET 26 HA MET 26 63.980 9.403 -3.333 245 1HB MET 26 HB2 MET 26 63.148 6.823 -1.973 246 2HB MET 26 HB1 MET 26 64.810 7.341 -2.254 247 1HG MET 26 HG2 MET 26 62.773 8.880 -0.617 248 2HG MET 26 HG1 MET 26 64.038 7.857 0.058 249 1HE MET 26 HE1 MET 26 66.308 7.910 -0.819 250 2HE MET 26 HE3 MET 26 67.275 9.374 -1.049 251 3HE MET 26 HE2 MET 26 66.644 8.973 0.546 252 H PHE 27 HN PHE 27 61.474 7.213 -4.432 253 HA PHE 27 HA PHE 27 63.286 5.929 -6.381 254 1HB PHE 27 HB2 PHE 27 60.379 5.483 -5.644 255 2HB PHE 27 HB1 PHE 27 61.092 4.753 -7.080 256 HD1 PHE 27 HD2 PHE 27 63.521 3.665 -6.628 257 HD2 PHE 27 HD1 PHE 27 60.443 4.230 -3.686 258 HE1 PHE 27 HE2 PHE 27 64.532 1.885 -5.228 259 HE2 PHE 27 HE1 PHE 27 61.453 2.449 -2.287 260 HZ PHE 27 HZ PHE 27 63.498 1.277 -3.057 261 H LEU 28 HN LEU 28 61.143 8.630 -6.248 262 HA LEU 28 HA LEU 28 60.677 8.622 -9.160 263 1HB LEU 28 HB2 LEU 28 59.821 10.578 -7.012 264 2HB LEU 28 HB1 LEU 28 59.315 10.632 -8.703 265 HG LEU 28 HG LEU 28 58.912 8.193 -6.962 266 1HD1 LEU 28 HD11 LEU 28 57.207 10.648 -7.316 267 2HD1 LEU 28 HD13 LEU 28 56.464 9.083 -6.984 268 3HD1 LEU 28 HD12 LEU 28 57.605 9.780 -5.833 269 1HD2 LEU 28 HD23 LEU 28 58.535 8.792 -9.751 270 2HD2 LEU 28 HD22 LEU 28 58.203 7.285 -8.900 271 3HD2 LEU 28 HD21 LEU 28 56.953 8.523 -9.019 272 H LYS 29 HN LYS 29 63.417 9.082 -7.875 273 HA LYS 29 HA LYS 29 63.964 11.837 -8.858 274 1HB LYS 29 HB2 LYS 29 66.135 11.617 -7.747 275 2HB LYS 29 HB1 LYS 29 64.865 11.172 -6.611 276 1HG LYS 29 HG2 LYS 29 65.269 8.741 -7.342 277 2HG LYS 29 HG1 LYS 29 66.735 9.332 -8.123 278 1HD LYS 29 HD2 LYS 29 67.328 10.388 -5.862 279 2HD LYS 29 HD1 LYS 29 66.036 9.397 -5.182 280 1HE LYS 29 HE2 LYS 29 67.423 7.562 -6.701 281 2HE LYS 29 HE1 LYS 29 68.716 8.604 -6.104 282 1HZ LYS 29 HZ2 LYS 29 67.488 8.351 -3.866 283 2HZ LYS 29 HZ1 LYS 29 66.793 6.977 -4.583 284 3HZ LYS 29 HZ3 LYS 29 68.477 7.083 -4.413 285 H CYS 30 HN CYS 30 64.868 8.468 -9.279 286 HA CYS 30 HA CYS 30 65.696 9.049 -12.044 287 1HB CYS 30 HB2 CYS 30 67.364 7.766 -9.888 288 2HB CYS 30 HB1 CYS 30 67.580 7.280 -11.569 289 HG CYS 30 HG CYS 30 68.341 9.663 -12.165 290 HA PRO 31 HA PRO 31 63.281 5.320 -12.455 291 1HB PRO 31 HB2 PRO 31 63.822 4.777 -15.083 292 2HB PRO 31 HB1 PRO 31 62.741 6.088 -14.576 293 1HG PRO 31 HG2 PRO 31 65.503 6.253 -15.670 294 2HG PRO 31 HG1 PRO 31 64.213 7.466 -15.694 295 1HD PRO 31 HD2 PRO 31 66.448 7.388 -13.915 296 2HD PRO 31 HD1 PRO 31 65.050 8.479 -13.818 297 H LYS 32 HN LYS 32 66.583 5.353 -12.180 298 HA LYS 32 HA LYS 32 66.815 2.471 -12.835 299 1HB LYS 32 HB2 LYS 32 69.257 2.965 -13.213 300 2HB LYS 32 HB1 LYS 32 68.173 3.744 -14.364 301 1HG LYS 32 HG2 LYS 32 68.301 5.849 -13.141 302 2HG LYS 32 HG1 LYS 32 69.260 5.094 -11.870 303 1HD LYS 32 HD2 LYS 32 70.207 5.016 -14.727 304 2HD LYS 32 HD1 LYS 32 70.499 6.441 -13.730 305 1HE LYS 32 HE2 LYS 32 71.301 4.547 -11.995 306 2HE LYS 32 HE1 LYS 32 71.648 3.704 -13.504 307 1HZ LYS 32 HZ3 LYS 32 72.900 5.661 -14.236 308 2HZ LYS 32 HZ2 LYS 32 72.615 6.404 -12.735 309 3HZ LYS 32 HZ1 LYS 32 73.549 4.988 -12.821 310 HA PRO 33 HA PRO 33 67.914 3.169 -8.330 311 1HB PRO 33 HB2 PRO 33 65.998 1.536 -7.218 312 2HB PRO 33 HB1 PRO 33 65.775 3.276 -7.469 313 1HG PRO 33 HG2 PRO 33 64.624 0.995 -8.997 314 2HG PRO 33 HG1 PRO 33 63.987 2.632 -8.770 315 1HD PRO 33 HD2 PRO 33 65.289 1.690 -11.097 316 2HD PRO 33 HD1 PRO 33 64.983 3.393 -10.693 317 H SER 34 HN SER 34 69.586 1.845 -7.785 318 HA SER 34 HA SER 34 69.872 -0.787 -9.009 319 1HB SER 34 HB2 SER 34 71.560 0.998 -7.324 320 2HB SER 34 HB1 SER 34 71.952 -0.718 -7.375 321 HG SER 34 HG SER 34 71.892 -0.486 -9.710 322 H LEU 35 HN LEU 35 70.089 -2.778 -7.841 323 HA LEU 35 HA LEU 35 68.248 -3.081 -5.662 324 1HB LEU 35 HB2 LEU 35 68.888 -5.368 -5.603 325 2HB LEU 35 HB1 LEU 35 69.086 -4.909 -7.288 326 HG LEU 35 HG LEU 35 71.370 -4.876 -5.300 327 1HD1 LEU 35 HD12 LEU 35 70.339 -7.073 -7.094 328 2HD1 LEU 35 HD11 LEU 35 72.020 -7.022 -6.561 329 3HD1 LEU 35 HD13 LEU 35 70.722 -7.156 -5.374 330 1HD2 LEU 35 HD21 LEU 35 71.114 -4.673 -8.303 331 2HD2 LEU 35 HD23 LEU 35 71.903 -3.547 -7.200 332 3HD2 LEU 35 HD22 LEU 35 72.637 -5.115 -7.534 333 H GLN 36 HN GLN 36 71.553 -2.058 -5.884 334 HA GLN 36 HA GLN 36 72.316 -2.590 -3.124 335 1HB GLN 36 HB2 GLN 36 73.458 -1.245 -5.467 336 2HB GLN 36 HB1 GLN 36 73.753 -0.339 -3.984 337 1HG GLN 36 HG2 GLN 36 74.187 -3.280 -3.852 338 2HG GLN 36 HG1 GLN 36 75.355 -2.350 -4.792 339 1HE2 GLN 36 HE22 GLN 36 75.359 -2.069 -0.739 340 2HE2 GLN 36 HE21 GLN 36 74.235 -3.050 -1.550 341 H GLN 37 HN GLN 37 70.878 0.077 -4.933 342 HA GLN 37 HA GLN 37 70.646 1.895 -2.712 343 1HB GLN 37 HB2 GLN 37 70.393 2.473 -5.195 344 2HB GLN 37 HB1 GLN 37 68.786 1.752 -5.101 345 1HG GLN 37 HG2 GLN 37 68.045 3.765 -4.392 346 2HG GLN 37 HG1 GLN 37 68.887 3.444 -2.877 347 1HE2 GLN 37 HE22 GLN 37 70.911 6.265 -3.442 348 2HE2 GLN 37 HE21 GLN 37 69.930 5.389 -2.369 349 H ILE 38 HN ILE 38 68.850 -0.923 -3.788 350 HA ILE 38 HA ILE 38 66.464 -0.372 -2.256 351 HB ILE 38 HB ILE 38 67.578 -2.883 -3.545 352 1HG1 ILE 38 HG12 ILE 38 66.573 -1.184 -5.024 353 2HG1 ILE 38 HG11 ILE 38 65.547 -2.616 -4.957 354 1HG2 ILE 38 HG23 ILE 38 64.975 -2.617 -1.977 355 2HG2 ILE 38 HG22 ILE 38 65.453 -4.020 -2.932 356 3HG2 ILE 38 HG21 ILE 38 66.368 -3.583 -1.489 357 1HD1 ILE 38 HD13 ILE 38 64.590 -1.087 -2.850 358 2HD1 ILE 38 HD12 ILE 38 64.981 0.129 -4.065 359 3HD1 ILE 38 HD11 ILE 38 63.860 -1.176 -4.453 360 H THR 39 HN THR 39 69.582 -1.813 -1.643 361 HA THR 39 HA THR 39 68.946 -3.001 0.911 362 HB THR 39 HB THR 39 71.680 -1.901 0.505 363 HG1 THR 39 HG1 THR 39 72.141 -3.333 -1.131 364 1HG2 THR 39 HG23 THR 39 70.551 -4.632 1.184 365 2HG2 THR 39 HG22 THR 39 72.266 -4.219 1.188 366 3HG2 THR 39 HG21 THR 39 71.169 -3.446 2.333 367 H HIS 40 HN HIS 40 70.258 0.129 -0.122 368 HA HIS 40 HA HIS 40 70.374 1.291 2.530 369 1HB HIS 40 HB2 HIS 40 71.358 2.064 0.132 370 2HB HIS 40 HB1 HIS 40 69.903 3.059 0.182 371 HD1 HIS 40 HD1 HIS 40 72.933 2.261 2.347 372 HD2 HIS 40 HD2 HIS 40 70.145 5.310 1.791 373 HE1 HIS 40 HE1 HIS 40 73.680 4.189 3.809 374 H ILE 41 HN ILE 41 67.811 0.693 0.279 375 HA ILE 41 HA ILE 41 65.987 2.700 1.271 376 HB ILE 41 HB ILE 41 66.008 0.543 -0.689 377 1HG1 ILE 41 HG12 ILE 41 63.854 2.259 -1.226 378 2HG1 ILE 41 HG11 ILE 41 65.021 3.268 -0.373 379 1HG2 ILE 41 HG23 ILE 41 64.393 -0.559 0.801 380 2HG2 ILE 41 HG22 ILE 41 63.405 0.902 0.808 381 3HG2 ILE 41 HG21 ILE 41 63.622 -0.009 -0.686 382 1HD1 ILE 41 HD11 ILE 41 65.877 1.469 -2.640 383 2HD1 ILE 41 HD13 ILE 41 65.244 3.085 -2.943 384 3HD1 ILE 41 HD12 ILE 41 66.708 2.879 -1.985 385 H ALA 42 HN ALA 42 66.629 -0.718 1.949 386 HA ALA 42 HA ALA 42 64.593 -1.110 3.900 387 1HB ALA 42 HB1 ALA 42 66.162 -2.840 2.721 388 2HB ALA 42 HB3 ALA 42 67.263 -2.490 4.053 389 3HB ALA 42 HB2 ALA 42 65.661 -3.148 4.384 390 H ASN 43 HN ASN 43 68.043 -0.322 4.316 391 HA ASN 43 HA ASN 43 67.863 0.108 7.143 392 1HB ASN 43 HB2 ASN 43 69.773 1.395 5.163 393 2HB ASN 43 HB1 ASN 43 70.007 1.273 6.907 394 1HD2 ASN 43 HD22 ASN 43 71.601 -1.622 4.892 395 2HD2 ASN 43 HD21 ASN 43 71.511 0.026 4.496 396 H GLN 44 HN GLN 44 66.824 1.930 4.387 397 HA GLN 44 HA GLN 44 66.820 4.532 5.630 398 1HB GLN 44 HB2 GLN 44 65.994 3.343 3.085 399 2HB GLN 44 HB1 GLN 44 64.984 4.684 3.598 400 1HG GLN 44 HG2 GLN 44 68.006 4.734 3.330 401 2HG GLN 44 HG1 GLN 44 66.867 5.449 2.190 402 1HE2 GLN 44 HE22 GLN 44 67.958 7.566 5.418 403 2HE2 GLN 44 HE21 GLN 44 68.746 6.143 4.933 404 H LEU 45 HN LEU 45 64.502 1.862 5.475 405 HA LEU 45 HA LEU 45 62.823 3.417 7.373 406 1HB LEU 45 HB2 LEU 45 60.785 2.941 6.284 407 2HB LEU 45 HB1 LEU 45 61.876 3.431 4.999 408 HG LEU 45 HG LEU 45 61.448 0.529 5.699 409 1HD1 LEU 45 HD12 LEU 45 59.394 2.123 4.899 410 2HD1 LEU 45 HD11 LEU 45 60.087 1.683 3.340 411 3HD1 LEU 45 HD13 LEU 45 59.545 0.429 4.446 412 1HD2 LEU 45 HD21 LEU 45 62.782 2.137 3.576 413 2HD2 LEU 45 HD23 LEU 45 63.274 0.614 4.315 414 3HD2 LEU 45 HD22 LEU 45 62.008 0.629 3.088 415 H GLY 46 HN GLY 46 64.772 1.181 7.649 416 1HA GLY 46 HA2 GLY 46 64.986 -0.902 8.717 417 2HA GLY 46 HA1 GLY 46 63.854 -0.163 9.835 418 H LEU 47 HN LEU 47 62.974 -1.097 6.513 419 HA LEU 47 HA LEU 47 61.058 -3.032 7.732 420 1HB LEU 47 HB2 LEU 47 59.571 -2.648 6.020 421 2HB LEU 47 HB1 LEU 47 60.421 -1.116 5.960 422 HG LEU 47 HG LEU 47 60.865 -3.519 4.182 423 1HD1 LEU 47 HD12 LEU 47 58.973 -1.604 3.938 424 2HD1 LEU 47 HD11 LEU 47 60.305 -0.824 3.088 425 3HD1 LEU 47 HD13 LEU 47 59.722 -2.400 2.554 426 1HD2 LEU 47 HD22 LEU 47 62.539 -1.146 4.713 427 2HD2 LEU 47 HD21 LEU 47 63.013 -2.753 4.187 428 3HD2 LEU 47 HD23 LEU 47 62.353 -1.602 3.030 429 H GLU 48 HN GLU 48 60.551 -4.901 6.026 430 HA GLU 48 HA GLU 48 63.111 -6.330 5.641 431 1HB GLU 48 HB2 GLU 48 60.865 -7.274 6.686 432 2HB GLU 48 HB1 GLU 48 60.428 -7.513 4.994 433 1HG GLU 48 HG2 GLU 48 61.990 -9.158 4.680 434 2HG GLU 48 HG1 GLU 48 63.152 -8.406 5.773 435 H LYS 49 HN LYS 49 63.794 -7.000 3.576 436 HA LYS 49 HA LYS 49 63.246 -5.356 1.350 437 1HB LYS 49 HB2 LYS 49 64.279 -8.203 1.394 438 2HB LYS 49 HB1 LYS 49 64.341 -7.134 -0.007 439 1HG LYS 49 HG2 LYS 49 65.957 -5.767 0.930 440 2HG LYS 49 HG1 LYS 49 65.460 -6.137 2.582 441 1HD LYS 49 HD2 LYS 49 67.566 -7.240 2.235 442 2HD LYS 49 HD1 LYS 49 66.325 -8.492 2.200 443 1HE LYS 49 HE2 LYS 49 66.325 -8.478 -0.243 444 2HE LYS 49 HE1 LYS 49 67.488 -7.153 -0.259 445 1HZ LYS 49 HZ3 LYS 49 68.115 -9.645 1.173 446 2HZ LYS 49 HZ2 LYS 49 68.318 -9.565 -0.511 447 3HZ LYS 49 HZ1 LYS 49 69.172 -8.501 0.502 448 H ASP 50 HN ASP 50 61.451 -8.089 2.546 449 HA ASP 50 HA ASP 50 60.105 -8.744 0.078 450 1HB ASP 50 HB2 ASP 50 60.325 -10.082 2.346 451 2HB ASP 50 HB1 ASP 50 58.842 -9.220 2.757 452 H VAL 51 HN VAL 51 59.297 -6.563 2.810 453 HA VAL 51 HA VAL 51 56.703 -5.917 1.597 454 HB VAL 51 HB VAL 51 57.019 -5.868 4.061 455 1HG1 VAL 51 HG11 VAL 51 59.284 -4.212 3.310 456 2HG1 VAL 51 HG13 VAL 51 58.264 -3.380 4.481 457 3HG1 VAL 51 HG12 VAL 51 58.927 -4.968 4.861 458 1HG2 VAL 51 HG21 VAL 51 56.331 -3.246 2.703 459 2HG2 VAL 51 HG23 VAL 51 55.218 -4.534 3.167 460 3HG2 VAL 51 HG22 VAL 51 56.016 -3.568 4.408 461 H VAL 52 HN VAL 52 59.970 -4.751 1.392 462 HA VAL 52 HA VAL 52 59.215 -2.147 0.331 463 HB VAL 52 HB VAL 52 61.446 -3.008 1.567 464 1HG1 VAL 52 HG11 VAL 52 61.905 -4.360 -0.679 465 2HG1 VAL 52 HG13 VAL 52 62.569 -2.806 -1.187 466 3HG1 VAL 52 HG12 VAL 52 63.216 -3.619 0.238 467 1HG2 VAL 52 HG21 VAL 52 60.563 -0.678 0.591 468 2HG2 VAL 52 HG23 VAL 52 62.194 -0.875 1.223 469 3HG2 VAL 52 HG22 VAL 52 61.910 -0.937 -0.515 470 NH1 ARG 53 NH1 ARG 53 58.438 -10.384 -4.660 471 NH2 ARG 53 NH2 ARG 53 57.593 -9.607 -6.608 472 H ARG 53 HN ARG 53 59.840 -5.343 -0.949 473 HA ARG 53 HA ARG 53 60.171 -4.434 -3.707 474 1HB ARG 53 HB2 ARG 53 60.986 -6.667 -2.603 475 2HB ARG 53 HB1 ARG 53 59.348 -7.226 -2.951 476 1HG ARG 53 HG2 ARG 53 60.834 -5.830 -5.136 477 2HG ARG 53 HG1 ARG 53 61.311 -7.482 -4.745 478 1HD ARG 53 HD2 ARG 53 58.404 -7.179 -4.885 479 2HD ARG 53 HD1 ARG 53 59.197 -6.746 -6.398 480 HE ARG 53 HE ARG 53 60.394 -9.060 -6.057 481 1HH1 ARG 53 HH11 ARG 53 59.143 -10.359 -3.952 482 2HH1 ARG 53 HH12 ARG 53 57.675 -11.026 -4.585 483 1HH2 ARG 53 HH21 ARG 53 57.651 -8.989 -7.392 484 2HH2 ARG 53 HH22 ARG 53 56.830 -10.250 -6.533 485 H VAL 54 HN VAL 54 57.555 -5.984 -1.817 486 HA VAL 54 HA VAL 54 55.632 -5.935 -3.973 487 HB VAL 54 HB VAL 54 55.103 -5.889 -0.981 488 1HG1 VAL 54 HG12 VAL 54 53.289 -5.530 -2.940 489 2HG1 VAL 54 HG11 VAL 54 53.350 -7.293 -2.937 490 3HG1 VAL 54 HG13 VAL 54 52.922 -6.424 -1.464 491 1HG2 VAL 54 HG23 VAL 54 56.612 -7.767 -2.182 492 2HG2 VAL 54 HG22 VAL 54 55.479 -8.161 -0.892 493 3HG2 VAL 54 HG21 VAL 54 55.018 -8.409 -2.576 494 CH2 TRP 55 CH2 TRP 55 57.914 3.618 -2.445 495 H TRP 55 HN TRP 55 56.645 -3.607 -1.545 496 HA TRP 55 HA TRP 55 54.452 -1.763 -2.028 497 1HB TRP 55 HB2 TRP 55 55.617 -1.640 0.100 498 2HB TRP 55 HB1 TRP 55 57.170 -1.433 -0.706 499 HD1 TRP 55 HD1 TRP 55 54.078 0.487 0.392 500 HE1 TRP 55 HE1 TRP 55 54.444 2.970 -0.081 501 HE3 TRP 55 HE3 TRP 55 58.387 0.258 -2.349 502 HZ2 TRP 55 HZ2 TRP 55 56.285 4.662 -1.506 503 HZ3 TRP 55 HZ3 TRP 55 59.417 2.313 -3.256 504 HH2 TRP 55 HH2 TRP 55 58.367 4.512 -2.842 505 H PHE 56 HN PHE 56 57.702 -2.227 -3.393 506 HA PHE 56 HA PHE 56 57.390 0.196 -5.023 507 1HB PHE 56 HB2 PHE 56 59.656 -0.815 -4.175 508 2HB PHE 56 HB1 PHE 56 59.502 -1.869 -5.582 509 HD1 PHE 56 HD2 PHE 56 58.638 1.739 -5.003 510 HD2 PHE 56 HD1 PHE 56 60.883 -1.084 -7.320 511 HE1 PHE 56 HE2 PHE 56 59.410 3.571 -6.459 512 HE2 PHE 56 HE1 PHE 56 61.658 0.758 -8.792 513 HZ PHE 56 HZ PHE 56 60.911 3.088 -8.356 514 H CYS 57 HN CYS 57 56.283 -3.009 -5.216 515 HA CYS 57 HA CYS 57 56.419 -3.397 -8.072 516 1HB CYS 57 HB2 CYS 57 55.684 -5.002 -6.007 517 2HB CYS 57 HB1 CYS 57 54.092 -4.489 -6.563 518 HG CYS 57 HG CYS 57 55.027 -6.661 -7.889 519 H ASN 58 HN ASN 58 54.029 -2.017 -5.840 520 HA ASN 58 HA ASN 58 52.182 -1.270 -7.953 521 1HB ASN 58 HB2 ASN 58 51.081 0.113 -6.223 522 2HB ASN 58 HB1 ASN 58 51.391 -1.516 -5.633 523 1HD2 ASN 58 HD22 ASN 58 53.353 -0.387 -2.949 524 2HD2 ASN 58 HD21 ASN 58 52.508 -1.665 -3.677 525 NH1 ARG 59 NH1 ARG 59 56.333 5.751 -9.952 526 NH2 ARG 59 NH2 ARG 59 54.808 7.188 -9.105 527 H ARG 59 HN ARG 59 54.807 0.381 -6.183 528 HA ARG 59 HA ARG 59 54.452 2.969 -7.389 529 1HB ARG 59 HB2 ARG 59 56.256 1.875 -5.563 530 2HB ARG 59 HB1 ARG 59 57.272 2.256 -6.955 531 1HG ARG 59 HG2 ARG 59 55.334 4.231 -5.741 532 2HG ARG 59 HG1 ARG 59 57.037 4.133 -5.293 533 1HD ARG 59 HD2 ARG 59 57.366 5.593 -6.997 534 2HD ARG 59 HD1 ARG 59 57.183 4.182 -8.039 535 HE ARG 59 HE ARG 59 54.597 5.257 -7.454 536 1HH1 ARG 59 HH11 ARG 59 56.892 4.927 -9.861 537 2HH1 ARG 59 HH12 ARG 59 56.385 6.300 -10.786 538 1HH2 ARG 59 HH21 ARG 59 54.198 7.465 -8.363 539 2HH2 ARG 59 HH22 ARG 59 54.862 7.735 -9.940 540 NH1 ARG 60 NH2 ARG 60 58.086 -3.587 -13.144 541 NH2 ARG 60 NH1 ARG 60 58.725 -4.887 -11.406 542 H ARG 60 HN ARG 60 55.659 -0.021 -8.669 543 HA ARG 60 HA ARG 60 57.151 1.216 -10.864 544 1HB ARG 60 HB2 ARG 60 56.554 -1.550 -9.918 545 2HB ARG 60 HB1 ARG 60 56.934 -1.346 -11.628 546 1HG ARG 60 HG2 ARG 60 59.045 -0.271 -11.083 547 2HG ARG 60 HG1 ARG 60 58.651 -0.293 -9.363 548 1HD ARG 60 HD2 ARG 60 60.031 -2.180 -9.592 549 2HD ARG 60 HD1 ARG 60 58.411 -2.871 -9.696 550 HE ARG 60 HE ARG 60 60.161 -2.345 -12.064 551 1HH1 ARG 60 HH21 ARG 60 58.107 -2.708 -13.621 552 2HH1 ARG 60 HH22 ARG 60 57.559 -4.348 -13.521 553 1HH2 ARG 60 HH11 ARG 60 59.235 -5.003 -10.554 554 2HH2 ARG 60 HH12 ARG 60 58.198 -5.650 -11.782 555 H GLN 61 HN GLN 61 53.995 -0.324 -10.371 556 HA GLN 61 HA GLN 61 53.290 0.437 -13.181 557 1HB GLN 61 HB2 GLN 61 51.532 -1.350 -12.993 558 2HB GLN 61 HB1 GLN 61 53.180 -1.970 -12.886 559 1HG GLN 61 HG2 GLN 61 52.992 -2.483 -10.647 560 2HG GLN 61 HG1 GLN 61 51.849 -1.177 -10.336 561 1HE2 GLN 61 HE22 GLN 61 50.231 -4.480 -12.182 562 2HE2 GLN 61 HE21 GLN 61 51.722 -3.877 -12.725 563 H LYS 62 HN LYS 62 53.053 2.550 -11.646 564 HA LYS 62 HA LYS 62 50.460 2.662 -10.275 565 1HB LYS 62 HB2 LYS 62 52.395 4.882 -11.017 566 2HB LYS 62 HB1 LYS 62 50.989 5.061 -9.968 567 1HG LYS 62 HG2 LYS 62 53.214 3.092 -9.401 568 2HG LYS 62 HG1 LYS 62 53.209 4.737 -8.771 569 1HD LYS 62 HD2 LYS 62 50.834 2.923 -8.368 570 2HD LYS 62 HD1 LYS 62 52.210 2.874 -7.270 571 1HE LYS 62 HE2 LYS 62 51.670 4.861 -6.315 572 2HE LYS 62 HE1 LYS 62 51.253 5.598 -7.861 573 1HZ LYS 62 HZ2 LYS 62 49.220 4.051 -7.736 574 2HZ LYS 62 HZ1 LYS 62 49.575 3.962 -6.077 575 3HZ LYS 62 HZ3 LYS 62 49.230 5.462 -6.789 576 H GLY 63 HN GLY 63 51.823 3.516 -13.396 577 1HA GLY 63 HA2 GLY 63 49.395 3.449 -14.801 578 2HA GLY 63 HA1 GLY 63 49.628 5.129 -14.316 579 H LYS 64 HN LYS 64 52.108 2.753 -15.235 580 HA LYS 64 HA LYS 64 53.164 4.688 -17.205 581 1HB LYS 64 HB2 LYS 64 54.227 2.009 -16.259 582 2HB LYS 64 HB1 LYS 64 55.070 3.101 -17.358 583 1HG LYS 64 HG2 LYS 64 54.724 4.877 -15.479 584 2HG LYS 64 HG1 LYS 64 54.447 3.480 -14.438 585 1HD LYS 64 HD2 LYS 64 56.760 3.809 -14.234 586 2HD LYS 64 HD1 LYS 64 56.661 2.570 -15.485 587 1HE LYS 64 HE2 LYS 64 58.117 4.097 -16.476 588 2HE LYS 64 HE1 LYS 64 56.564 4.637 -17.115 589 1HZ LYS 64 HZ2 LYS 64 57.832 5.734 -14.666 590 2HZ LYS 64 HZ1 LYS 64 57.951 6.448 -16.203 591 3HZ LYS 64 HZ3 LYS 64 56.439 6.318 -15.445 592 NH1 ARG 65 NH1 ARG 65 51.341 -4.965 -18.527 593 NH2 ARG 65 NH2 ARG 65 53.301 -4.839 -17.409 594 H ARG 65 HN ARG 65 51.488 1.615 -17.089 595 HA ARG 65 HA ARG 65 51.308 1.696 -20.061 596 1HB ARG 65 HB2 ARG 65 51.440 -0.822 -20.056 597 2HB ARG 65 HB1 ARG 65 52.945 -0.030 -19.595 598 1HG ARG 65 HG2 ARG 65 52.048 -0.274 -17.155 599 2HG ARG 65 HG1 ARG 65 50.970 -1.484 -17.847 600 1HD ARG 65 HD2 ARG 65 53.950 -1.543 -18.330 601 2HD ARG 65 HD1 ARG 65 53.216 -2.329 -16.932 602 HE ARG 65 HE ARG 65 52.624 -3.065 -19.769 603 1HH1 ARG 65 HH11 ARG 65 50.682 -4.570 -19.167 604 2HH1 ARG 65 HH12 ARG 65 51.157 -5.853 -18.105 605 1HH2 ARG 65 HH21 ARG 65 54.144 -4.347 -17.193 606 2HH2 ARG 65 HH22 ARG 65 53.117 -5.727 -16.987 607 H SER 66 HN SER 66 49.221 2.734 -19.389 608 HA SER 66 HA SER 66 47.230 0.881 -18.218 609 1HB SER 66 HB2 SER 66 45.792 2.799 -18.036 610 2HB SER 66 HB1 SER 66 47.394 3.313 -17.515 611 HG SER 66 HG SER 66 47.709 4.240 -19.533 612 H SER 67 HN SER 67 45.701 -0.127 -19.433 613 HA SER 67 HA SER 67 45.341 0.736 -22.270 614 1HB SER 67 HB2 SER 67 46.831 -1.290 -22.087 615 2HB SER 67 HB1 SER 67 45.487 -2.146 -21.339 616 HG SER 67 HG SER 67 45.953 -1.942 -23.871 Start of MODEL 2 Raw file had 616 H/Q atoms Start of MODEL 2 1 1H MET 1 HT2 MET 1 59.127 22.017 14.390 2 2H MET 1 HT1 MET 1 59.824 21.525 15.859 3 3H MET 1 HT3 MET 1 59.714 23.175 15.485 4 HA MET 1 HA MET 1 61.367 23.072 13.871 5 1HB MET 1 HB2 MET 1 61.915 21.434 16.326 6 2HB MET 1 HB1 MET 1 63.158 21.555 15.080 7 1HG MET 1 HG2 MET 1 63.684 23.398 16.399 8 2HG MET 1 HG1 MET 1 62.605 24.135 15.214 9 1HE MET 1 HE2 MET 1 63.608 24.600 18.349 10 2HE MET 1 HE1 MET 1 62.328 24.443 19.550 11 3HE MET 1 HE3 MET 1 63.125 23.001 18.907 12 H GLU 2 HN GLU 2 60.704 19.714 14.943 13 HA GLU 2 HA GLU 2 61.408 18.820 12.176 14 1HB GLU 2 HB2 GLU 2 61.449 17.262 14.780 15 2HB GLU 2 HB1 GLU 2 61.867 16.610 13.195 16 1HG GLU 2 HG2 GLU 2 63.460 18.827 13.268 17 2HG GLU 2 HG1 GLU 2 63.426 18.389 14.976 18 H THR 3 HN THR 3 58.793 19.860 13.020 19 HA THR 3 HA THR 3 57.100 17.413 13.025 20 HB THR 3 HB THR 3 56.062 20.237 13.165 21 HG1 THR 3 HG1 THR 3 56.956 18.684 15.358 22 1HG2 THR 3 HG23 THR 3 54.569 18.193 12.927 23 2HG2 THR 3 HG22 THR 3 55.123 17.707 14.529 24 3HG2 THR 3 HG21 THR 3 54.233 19.216 14.325 25 H LEU 4 HN LEU 4 58.591 18.182 10.640 26 HA LEU 4 HA LEU 4 56.286 18.457 8.787 27 1HB LEU 4 HB2 LEU 4 57.615 20.069 7.392 28 2HB LEU 4 HB1 LEU 4 57.132 20.728 8.955 29 HG LEU 4 HG LEU 4 59.768 19.322 8.756 30 1HD1 LEU 4 HD13 LEU 4 59.391 21.079 6.837 31 2HD1 LEU 4 HD12 LEU 4 59.581 22.256 8.137 32 3HD1 LEU 4 HD11 LEU 4 60.884 21.124 7.775 33 1HD2 LEU 4 HD22 LEU 4 58.400 21.350 10.462 34 2HD2 LEU 4 HD21 LEU 4 59.457 20.018 10.930 35 3HD2 LEU 4 HD23 LEU 4 60.148 21.506 10.281 36 H VAL 5 HN VAL 5 57.869 16.159 9.517 37 HA VAL 5 HA VAL 5 59.798 15.727 7.348 38 HB VAL 5 HB VAL 5 60.206 14.729 9.560 39 1HG1 VAL 5 HG11 VAL 5 57.497 13.540 9.064 40 2HG1 VAL 5 HG13 VAL 5 58.666 12.638 10.024 41 3HG1 VAL 5 HG12 VAL 5 58.156 14.245 10.538 42 1HG2 VAL 5 HG21 VAL 5 60.931 13.583 7.396 43 2HG2 VAL 5 HG23 VAL 5 60.840 12.544 8.818 44 3HG2 VAL 5 HG22 VAL 5 59.553 12.505 7.613 45 H GLN 6 HN GLN 6 56.423 15.050 7.983 46 HA GLN 6 HA GLN 6 56.295 13.417 5.483 47 1HB GLN 6 HB2 GLN 6 54.584 13.534 7.961 48 2HB GLN 6 HB1 GLN 6 53.925 12.906 6.450 49 1HG GLN 6 HG2 GLN 6 55.691 11.231 6.324 50 2HG GLN 6 HG1 GLN 6 56.471 11.904 7.756 51 1HE2 GLN 6 HE22 GLN 6 53.758 9.090 8.333 52 2HE2 GLN 6 HE21 GLN 6 54.646 9.322 6.906 53 H ALA 7 HN ALA 7 56.410 15.465 4.249 54 HA ALA 7 HA ALA 7 54.477 17.546 4.508 55 1HB ALA 7 HB1 ALA 7 56.712 17.389 3.106 56 2HB ALA 7 HB3 ALA 7 55.627 16.828 1.835 57 3HB ALA 7 HB2 ALA 7 55.390 18.419 2.556 58 NH1 ARG 8 NH2 ARG 8 48.414 13.255 3.363 59 NH2 ARG 8 NH1 ARG 8 47.007 14.024 4.957 60 H ARG 8 HN ARG 8 53.274 17.839 2.038 61 HA ARG 8 HA ARG 8 51.416 15.526 1.964 62 1HB ARG 8 HB2 ARG 8 51.000 18.481 1.732 63 2HB ARG 8 HB1 ARG 8 49.897 17.402 0.877 64 1HG ARG 8 HG2 ARG 8 50.543 16.956 3.788 65 2HG ARG 8 HG1 ARG 8 49.285 18.093 3.304 66 1HD ARG 8 HD2 ARG 8 47.927 16.429 2.417 67 2HD ARG 8 HD1 ARG 8 49.282 15.342 2.114 68 HE ARG 8 HE ARG 8 48.896 15.803 4.950 69 1HH1 ARG 8 HH21 ARG 8 49.183 13.406 2.741 70 2HH1 ARG 8 HH22 ARG 8 47.955 12.368 3.386 71 1HH2 ARG 8 HH11 ARG 8 46.698 14.763 5.556 72 2HH2 ARG 8 HH12 ARG 8 46.547 13.137 4.980 73 H LYS 9 HN LYS 9 52.939 18.035 -0.058 74 HA LYS 9 HA LYS 9 53.221 16.114 -2.240 75 1HB LYS 9 HB2 LYS 9 50.885 17.227 -2.391 76 2HB LYS 9 HB1 LYS 9 51.769 18.680 -2.859 77 1HG LYS 9 HG2 LYS 9 52.855 17.406 -4.695 78 2HG LYS 9 HG1 LYS 9 51.905 15.988 -4.249 79 1HD LYS 9 HD2 LYS 9 49.902 16.932 -4.975 80 2HD LYS 9 HD1 LYS 9 50.496 18.582 -4.793 81 1HE LYS 9 HE2 LYS 9 51.173 18.628 -6.940 82 2HE LYS 9 HE1 LYS 9 52.125 17.160 -6.718 83 1HZ LYS 9 HZ3 LYS 9 49.197 17.221 -7.208 84 2HZ LYS 9 HZ2 LYS 9 50.372 16.915 -8.396 85 3HZ LYS 9 HZ1 LYS 9 50.171 15.838 -7.098 86 NH1 ARG 10 NH2 ARG 10 59.760 23.371 2.016 87 NH2 ARG 10 NH1 ARG 10 58.292 22.833 3.647 88 H ARG 10 HN ARG 10 54.905 17.887 -0.473 89 HA ARG 10 HA ARG 10 56.007 19.878 -2.307 90 1HB ARG 10 HB2 ARG 10 55.869 20.075 0.265 91 2HB ARG 10 HB1 ARG 10 57.260 18.991 0.288 92 1HG ARG 10 HG2 ARG 10 58.250 20.683 -1.466 93 2HG ARG 10 HG1 ARG 10 57.065 21.792 -0.775 94 1HD ARG 10 HD2 ARG 10 58.744 20.217 1.125 95 2HD ARG 10 HD1 ARG 10 59.520 21.545 0.260 96 HE ARG 10 HE ARG 10 56.970 22.281 1.489 97 1HH1 ARG 10 HH21 ARG 10 60.044 23.328 1.058 98 2HH1 ARG 10 HH22 ARG 10 60.316 23.869 2.680 99 1HH2 ARG 10 HH11 ARG 10 57.450 22.379 3.939 100 2HH2 ARG 10 HH12 ARG 10 58.848 23.331 4.312 101 H LYS 11 HN LYS 11 56.819 16.674 -1.090 102 HA LYS 11 HA LYS 11 58.631 16.234 -3.320 103 1HB LYS 11 HB2 LYS 11 59.799 17.387 -1.135 104 2HB LYS 11 HB1 LYS 11 59.991 15.676 -0.752 105 1HG LYS 11 HG2 LYS 11 61.895 16.003 -2.025 106 2HG LYS 11 HG1 LYS 11 60.759 15.558 -3.300 107 1HD LYS 11 HD2 LYS 11 60.466 17.790 -3.990 108 2HD LYS 11 HD1 LYS 11 61.098 18.436 -2.475 109 1HE LYS 11 HE2 LYS 11 63.343 17.686 -3.032 110 2HE LYS 11 HE1 LYS 11 62.750 16.872 -4.479 111 1HZ LYS 11 HZ2 LYS 11 61.851 19.220 -5.048 112 2HZ LYS 11 HZ1 LYS 11 63.037 19.749 -3.952 113 3HZ LYS 11 HZ3 LYS 11 63.488 18.857 -5.323 114 NH1 ARG 12 NH2 ARG 12 62.874 10.558 -6.007 115 NH2 ARG 12 NH1 ARG 12 63.255 8.640 -4.874 116 H ARG 12 HN ARG 12 59.944 13.966 -2.330 117 HA ARG 12 HA ARG 12 57.629 12.136 -1.951 118 1HB ARG 12 HB2 ARG 12 59.262 10.355 -2.601 119 2HB ARG 12 HB1 ARG 12 59.069 11.595 -3.840 120 1HG ARG 12 HG2 ARG 12 61.211 12.328 -3.617 121 2HG ARG 12 HG1 ARG 12 61.177 12.188 -1.859 122 1HD ARG 12 HD2 ARG 12 62.051 10.087 -1.886 123 2HD ARG 12 HD1 ARG 12 61.102 9.605 -3.292 124 HE ARG 12 HE ARG 12 63.638 11.182 -3.471 125 1HH1 ARG 12 HH21 ARG 12 62.691 11.542 -6.008 126 2HH1 ARG 12 HH22 ARG 12 62.948 10.062 -6.872 127 1HH2 ARG 12 HH11 ARG 12 63.364 8.153 -4.008 128 2HH2 ARG 12 HH12 ARG 12 63.329 8.145 -5.740 129 H THR 13 HN THR 13 58.495 13.654 0.299 130 HA THR 13 HA THR 13 60.221 11.967 1.954 131 HB THR 13 HB THR 13 58.499 14.010 3.251 132 HG1 THR 13 HG1 THR 13 59.113 15.609 2.048 133 1HG2 THR 13 HG21 THR 13 61.471 13.418 3.211 134 2HG2 THR 13 HG23 THR 13 60.705 14.639 4.226 135 3HG2 THR 13 HG22 THR 13 60.325 12.933 4.460 136 H SER 14 HN SER 14 56.777 12.457 1.467 137 HA SER 14 HA SER 14 56.135 10.626 3.716 138 1HB SER 14 HB2 SER 14 53.838 11.305 3.393 139 2HB SER 14 HB1 SER 14 54.831 12.759 3.361 140 HG SER 14 HG SER 14 53.152 12.202 1.587 141 H ILE 15 HN ILE 15 53.853 9.389 2.728 142 HA ILE 15 HA ILE 15 55.048 7.465 0.838 143 HB ILE 15 HB ILE 15 52.451 7.429 2.392 144 1HG1 ILE 15 HG12 ILE 15 54.539 7.148 3.712 145 2HG1 ILE 15 HG11 ILE 15 53.572 5.675 3.693 146 1HG2 ILE 15 HG21 ILE 15 53.608 5.513 0.366 147 2HG2 ILE 15 HG23 ILE 15 52.554 4.929 1.654 148 3HG2 ILE 15 HG22 ILE 15 51.955 6.114 0.493 149 1HD1 ILE 15 HD12 ILE 15 55.317 5.577 1.429 150 2HD1 ILE 15 HD11 ILE 15 56.289 6.021 2.833 151 3HD1 ILE 15 HD13 ILE 15 55.326 4.545 2.857 152 H GLU 16 HN GLU 16 55.044 8.744 -1.066 153 HA GLU 16 HA GLU 16 52.519 9.768 -2.116 154 1HB GLU 16 HB2 GLU 16 55.064 10.536 -2.562 155 2HB GLU 16 HB1 GLU 16 54.887 9.385 -3.887 156 1HG GLU 16 HG2 GLU 16 52.769 10.569 -4.545 157 2HG GLU 16 HG1 GLU 16 53.133 11.790 -3.325 158 H ASN 17 HN ASN 17 51.565 8.851 -4.094 159 HA ASN 17 HA ASN 17 51.357 6.008 -4.018 160 1HB ASN 17 HB2 ASN 17 50.317 8.183 -5.707 161 2HB ASN 17 HB1 ASN 17 50.554 6.672 -6.585 162 1HD2 ASN 17 HD22 ASN 17 47.615 5.300 -5.241 163 2HD2 ASN 17 HD21 ASN 17 48.711 5.389 -6.534 164 NH1 ARG 18 NH1 ARG 18 53.259 6.024 -10.733 165 NH2 ARG 18 NH2 ARG 18 51.826 7.738 -11.064 166 H ARG 18 HN ARG 18 53.668 8.100 -5.527 167 HA ARG 18 HA ARG 18 54.614 6.048 -7.398 168 1HB ARG 18 HB2 ARG 18 54.926 8.880 -7.106 169 2HB ARG 18 HB1 ARG 18 56.531 8.159 -7.020 170 1HG ARG 18 HG2 ARG 18 56.489 8.050 -9.276 171 2HG ARG 18 HG1 ARG 18 55.279 6.779 -9.113 172 1HD ARG 18 HD2 ARG 18 53.611 8.807 -8.874 173 2HD ARG 18 HD1 ARG 18 54.894 9.700 -9.691 174 HE ARG 18 HE ARG 18 54.506 8.394 -11.657 175 1HH1 ARG 18 HH11 ARG 18 54.190 5.689 -10.587 176 2HH1 ARG 18 HH12 ARG 18 52.496 5.379 -10.769 177 1HH2 ARG 18 HH21 ARG 18 51.657 8.718 -11.172 178 2HH2 ARG 18 HH22 ARG 18 51.062 7.093 -11.098 179 H VAL 19 HN VAL 19 55.367 7.260 -4.176 180 HA VAL 19 HA VAL 19 57.950 6.023 -3.978 181 HB VAL 19 HB VAL 19 56.674 7.799 -2.383 182 1HG1 VAL 19 HG13 VAL 19 56.309 5.128 -0.990 183 2HG1 VAL 19 HG12 VAL 19 56.378 6.660 -0.145 184 3HG1 VAL 19 HG11 VAL 19 55.085 6.359 -1.304 185 1HG2 VAL 19 HG23 VAL 19 58.891 5.839 -1.820 186 2HG2 VAL 19 HG22 VAL 19 59.015 7.542 -2.262 187 3HG2 VAL 19 HG21 VAL 19 58.467 7.087 -0.648 188 NH1 ARG 20 NH2 ARG 20 50.109 3.330 1.931 189 NH2 ARG 20 NH1 ARG 20 49.178 2.099 0.280 190 H ARG 20 HN ARG 20 54.695 4.942 -3.065 191 HA ARG 20 HA ARG 20 55.506 2.422 -1.984 192 1HB ARG 20 HB2 ARG 20 52.925 3.146 -3.400 193 2HB ARG 20 HB1 ARG 20 53.170 1.706 -2.411 194 1HG ARG 20 HG2 ARG 20 53.663 3.130 -0.455 195 2HG ARG 20 HG1 ARG 20 53.413 4.571 -1.440 196 1HD ARG 20 HD2 ARG 20 51.237 4.468 -0.847 197 2HD ARG 20 HD1 ARG 20 51.108 3.035 -1.866 198 HE ARG 20 HE ARG 20 52.079 2.045 0.527 199 1HH1 ARG 20 HH21 ARG 20 50.906 3.783 2.330 200 2HH1 ARG 20 HH22 ARG 20 49.227 3.368 2.400 201 1HH2 ARG 20 HH11 ARG 20 49.262 1.608 -0.587 202 2HH2 ARG 20 HH12 ARG 20 48.296 2.138 0.749 203 CH2 TRP 21 CH2 TRP 21 51.292 -1.111 -4.557 204 H TRP 21 HN TRP 21 54.800 3.437 -5.287 205 HA TRP 21 HA TRP 21 55.335 0.725 -6.210 206 1HB TRP 21 HB2 TRP 21 54.620 3.162 -7.830 207 2HB TRP 21 HB1 TRP 21 54.686 1.497 -8.435 208 HD1 TRP 21 HD1 TRP 21 52.030 3.585 -7.743 209 HE1 TRP 21 HE1 TRP 21 50.083 2.517 -6.422 210 HE3 TRP 21 HE3 TRP 21 54.336 -0.617 -5.936 211 HZ2 TRP 21 HZ2 TRP 21 49.600 0.190 -4.770 212 HZ3 TRP 21 HZ3 TRP 21 53.155 -2.178 -4.497 213 HH2 TRP 21 HH2 TRP 21 50.771 -1.825 -3.936 214 H SER 22 HN SER 22 57.238 3.255 -5.353 215 HA SER 22 HA SER 22 59.414 2.751 -7.234 216 1HB SER 22 HB2 SER 22 59.348 4.930 -6.066 217 2HB SER 22 HB1 SER 22 59.342 4.110 -4.508 218 HG SER 22 HG SER 22 61.400 3.280 -5.024 219 H LEU 23 HN LEU 23 58.247 1.785 -4.036 220 HA LEU 23 HA LEU 23 60.316 0.015 -3.190 221 1HB LEU 23 HB2 LEU 23 57.320 -0.394 -2.942 222 2HB LEU 23 HB1 LEU 23 58.531 -1.185 -1.970 223 HG LEU 23 HG LEU 23 58.337 1.805 -1.962 224 1HD1 LEU 23 HD13 LEU 23 56.075 0.516 -1.620 225 2HD1 LEU 23 HD12 LEU 23 56.773 0.042 -0.072 226 3HD1 LEU 23 HD11 LEU 23 56.526 1.747 -0.443 227 1HD2 LEU 23 HD21 LEU 23 59.561 -0.379 -0.355 228 2HD2 LEU 23 HD23 LEU 23 60.094 1.289 -0.564 229 3HD2 LEU 23 HD22 LEU 23 58.817 0.909 0.590 230 H GLU 24 HN GLU 24 57.355 -0.525 -5.053 231 HA GLU 24 HA GLU 24 57.542 -3.241 -5.662 232 1HB GLU 24 HB2 GLU 24 56.120 -0.982 -6.676 233 2HB GLU 24 HB1 GLU 24 56.708 -1.895 -8.058 234 1HG GLU 24 HG2 GLU 24 55.817 -3.964 -6.679 235 2HG GLU 24 HG1 GLU 24 54.814 -2.742 -5.895 236 H THR 25 HN THR 25 59.331 -0.601 -7.237 237 HA THR 25 HA THR 25 60.392 -2.256 -9.355 238 HB THR 25 HB THR 25 62.008 0.047 -8.388 239 HG1 THR 25 HG1 THR 25 60.491 1.494 -8.683 240 1HG2 THR 25 HG23 THR 25 61.966 -1.425 -10.656 241 2HG2 THR 25 HG22 THR 25 60.865 -0.127 -11.121 242 3HG2 THR 25 HG21 THR 25 62.510 0.252 -10.609 243 H MET 26 HN MET 26 61.615 -1.202 -6.205 244 HA MET 26 HA MET 26 64.161 -2.488 -6.368 245 1HB MET 26 HB2 MET 26 63.362 -0.774 -4.649 246 2HB MET 26 HB1 MET 26 62.592 -2.124 -3.814 247 1HG MET 26 HG2 MET 26 64.767 -1.851 -2.828 248 2HG MET 26 HG1 MET 26 64.842 -3.291 -3.842 249 1HE MET 26 HE1 MET 26 66.499 -0.875 -2.514 250 2HE MET 26 HE3 MET 26 67.861 -1.760 -3.216 251 3HE MET 26 HE2 MET 26 67.611 -0.061 -3.611 252 H PHE 27 HN PHE 27 60.986 -3.794 -5.551 253 HA PHE 27 HA PHE 27 62.172 -6.317 -4.581 254 1HB PHE 27 HB2 PHE 27 59.302 -5.354 -4.832 255 2HB PHE 27 HB1 PHE 27 59.727 -6.985 -4.325 256 HD1 PHE 27 HD1 PHE 27 61.582 -7.114 -2.424 257 HD2 PHE 27 HD2 PHE 27 59.077 -3.712 -3.192 258 HE1 PHE 27 HE1 PHE 27 61.969 -6.308 -0.111 259 HE2 PHE 27 HE2 PHE 27 59.463 -2.904 -0.879 260 HZ PHE 27 HZ PHE 27 60.909 -4.203 0.662 261 H LEU 28 HN LEU 28 60.822 -5.027 -7.513 262 HA LEU 28 HA LEU 28 60.410 -7.710 -8.664 263 1HB LEU 28 HB2 LEU 28 59.944 -4.936 -9.778 264 2HB LEU 28 HB1 LEU 28 59.593 -6.431 -10.651 265 HG LEU 28 HG LEU 28 58.448 -5.747 -7.928 266 1HD1 LEU 28 HD12 LEU 28 57.659 -4.228 -9.764 267 2HD1 LEU 28 HD11 LEU 28 57.078 -5.651 -10.629 268 3HD1 LEU 28 HD13 LEU 28 56.376 -5.220 -9.070 269 1HD2 LEU 28 HD23 LEU 28 58.313 -8.072 -9.780 270 2HD2 LEU 28 HD22 LEU 28 58.199 -8.027 -8.021 271 3HD2 LEU 28 HD21 LEU 28 56.800 -7.598 -9.006 272 H LYS 29 HN LYS 29 63.116 -5.878 -8.215 273 HA LYS 29 HA LYS 29 64.246 -6.474 -10.903 274 1HB LYS 29 HB2 LYS 29 66.146 -5.070 -10.210 275 2HB LYS 29 HB1 LYS 29 64.632 -4.194 -9.998 276 1HG LYS 29 HG2 LYS 29 64.633 -4.734 -7.596 277 2HG LYS 29 HG1 LYS 29 66.115 -5.668 -7.794 278 1HD LYS 29 HD2 LYS 29 66.661 -3.440 -6.944 279 2HD LYS 29 HD1 LYS 29 67.280 -3.621 -8.584 280 1HE LYS 29 HE2 LYS 29 64.567 -2.615 -8.662 281 2HE LYS 29 HE1 LYS 29 65.563 -1.594 -7.626 282 1HZ LYS 29 HZ1 LYS 29 66.632 -2.465 -10.217 283 2HZ LYS 29 HZ3 LYS 29 65.492 -1.209 -10.184 284 3HZ LYS 29 HZ2 LYS 29 66.954 -1.050 -9.334 285 H CYS 30 HN CYS 30 64.564 -7.211 -7.490 286 HA CYS 30 HA CYS 30 66.156 -9.597 -8.194 287 1HB CYS 30 HB2 CYS 30 66.984 -7.325 -6.463 288 2HB CYS 30 HB1 CYS 30 67.325 -8.938 -5.840 289 HG CYS 30 HG CYS 30 68.244 -8.325 -8.743 290 HA PRO 31 HA PRO 31 63.074 -11.059 -5.239 291 1HB PRO 31 HB2 PRO 31 63.629 -13.726 -5.483 292 2HB PRO 31 HB1 PRO 31 62.717 -12.825 -6.707 293 1HG PRO 31 HG2 PRO 31 65.506 -13.843 -6.825 294 2HG PRO 31 HG1 PRO 31 64.398 -13.455 -8.150 295 1HD PRO 31 HD2 PRO 31 66.548 -11.834 -7.175 296 2HD PRO 31 HD1 PRO 31 65.337 -11.385 -8.394 297 H LYS 32 HN LYS 32 66.012 -10.383 -4.453 298 HA LYS 32 HA LYS 32 66.230 -12.313 -2.213 299 1HB LYS 32 HB2 LYS 32 68.686 -11.801 -2.287 300 2HB LYS 32 HB1 LYS 32 68.081 -12.575 -3.753 301 1HG LYS 32 HG2 LYS 32 68.252 -10.633 -5.020 302 2HG LYS 32 HG1 LYS 32 68.070 -9.579 -3.617 303 1HD LYS 32 HD2 LYS 32 70.326 -9.315 -3.871 304 2HD LYS 32 HD1 LYS 32 70.389 -10.824 -2.962 305 1HE LYS 32 HE2 LYS 32 69.967 -11.458 -5.731 306 2HE LYS 32 HE1 LYS 32 71.321 -10.334 -5.612 307 1HZ LYS 32 HZ2 LYS 32 71.112 -12.661 -3.809 308 2HZ LYS 32 HZ1 LYS 32 71.794 -12.813 -5.358 309 3HZ LYS 32 HZ3 LYS 32 72.489 -11.757 -4.227 310 HA PRO 33 HA PRO 33 66.056 -7.827 -0.635 311 1HB PRO 33 HB2 PRO 33 63.525 -7.784 0.429 312 2HB PRO 33 HB1 PRO 33 63.903 -7.231 -1.212 313 1HG PRO 33 HG2 PRO 33 62.596 -9.770 -0.336 314 2HG PRO 33 HG1 PRO 33 62.375 -8.850 -1.834 315 1HD PRO 33 HD2 PRO 33 63.913 -11.188 -1.607 316 2HD PRO 33 HD1 PRO 33 64.037 -9.989 -2.914 317 H SER 34 HN SER 34 67.434 -8.398 1.050 318 HA SER 34 HA SER 34 66.784 -10.368 3.068 319 1HB SER 34 HB2 SER 34 69.102 -9.206 2.256 320 2HB SER 34 HB1 SER 34 68.770 -8.280 3.718 321 HG SER 34 HG SER 34 68.868 -11.113 3.479 322 H LEU 35 HN LEU 35 66.431 -9.888 5.357 323 HA LEU 35 HA LEU 35 64.415 -7.912 5.827 324 1HB LEU 35 HB2 LEU 35 66.298 -9.348 7.725 325 2HB LEU 35 HB1 LEU 35 64.991 -8.298 8.272 326 HG LEU 35 HG LEU 35 64.042 -10.198 6.277 327 1HD1 LEU 35 HD12 LEU 35 65.988 -11.455 7.455 328 2HD1 LEU 35 HD11 LEU 35 64.929 -11.470 8.864 329 3HD1 LEU 35 HD13 LEU 35 64.419 -12.255 7.369 330 1HD2 LEU 35 HD22 LEU 35 62.738 -8.819 7.989 331 2HD2 LEU 35 HD21 LEU 35 62.284 -10.519 7.871 332 3HD2 LEU 35 HD23 LEU 35 63.299 -9.967 9.204 333 H GLN 36 HN GLN 36 67.881 -7.796 5.708 334 HA GLN 36 HA GLN 36 68.227 -5.286 7.153 335 1HB GLN 36 HB2 GLN 36 69.888 -7.090 5.476 336 2HB GLN 36 HB1 GLN 36 70.347 -5.388 5.430 337 1HG GLN 36 HG2 GLN 36 71.579 -6.325 7.240 338 2HG GLN 36 HG1 GLN 36 70.246 -5.446 7.988 339 1HE2 GLN 36 HE22 GLN 36 70.616 -9.267 8.908 340 2HE2 GLN 36 HE21 GLN 36 71.868 -8.254 8.372 341 H GLN 37 HN GLN 37 67.854 -6.276 3.778 342 HA GLN 37 HA GLN 37 67.994 -3.649 2.638 343 1HB GLN 37 HB2 GLN 37 68.026 -6.036 1.507 344 2HB GLN 37 HB1 GLN 37 66.279 -5.805 1.445 345 1HG GLN 37 HG2 GLN 37 66.508 -4.474 -0.356 346 2HG GLN 37 HG1 GLN 37 67.496 -3.360 0.588 347 1HE2 GLN 37 HE22 GLN 37 69.267 -5.835 -2.103 348 2HE2 GLN 37 HE21 GLN 37 67.589 -5.871 -1.850 349 H ILE 38 HN ILE 38 65.478 -5.384 4.360 350 HA ILE 38 HA ILE 38 63.326 -3.691 3.405 351 HB ILE 38 HB ILE 38 63.535 -5.701 5.662 352 1HG1 ILE 38 HG12 ILE 38 63.299 -6.567 3.369 353 2HG1 ILE 38 HG11 ILE 38 61.827 -6.870 4.291 354 1HG2 ILE 38 HG22 ILE 38 61.195 -3.877 4.986 355 2HG2 ILE 38 HG21 ILE 38 61.043 -5.335 5.966 356 3HG2 ILE 38 HG23 ILE 38 62.035 -3.990 6.532 357 1HD1 ILE 38 HD11 ILE 38 61.314 -4.384 3.214 358 2HD1 ILE 38 HD13 ILE 38 62.240 -5.155 1.926 359 3HD1 ILE 38 HD12 ILE 38 60.761 -5.908 2.520 360 H THR 39 HN THR 39 65.674 -3.647 5.985 361 HA THR 39 HA THR 39 64.488 -1.520 7.538 362 HB THR 39 HB THR 39 67.469 -1.875 7.298 363 HG1 THR 39 HG1 THR 39 67.399 -3.790 8.186 364 1HG2 THR 39 HG23 THR 39 65.487 -1.138 9.442 365 2HG2 THR 39 HG22 THR 39 67.118 -1.662 9.860 366 3HG2 THR 39 HG21 THR 39 66.882 -0.224 8.868 367 H HIS 40 HN HIS 40 66.736 -1.682 4.819 368 HA HIS 40 HA HIS 40 67.110 1.199 4.601 369 1HB HIS 40 HB2 HIS 40 67.748 -1.175 2.868 370 2HB HIS 40 HB1 HIS 40 67.870 0.455 2.205 371 HD1 HIS 40 HD1 HIS 40 69.146 2.103 4.269 372 HD2 HIS 40 HD2 HIS 40 70.242 -1.889 3.776 373 HE1 HIS 40 HE1 HIS 40 71.453 1.862 5.290 374 H ILE 41 HN ILE 41 64.693 -1.069 3.556 375 HA ILE 41 HA ILE 41 63.606 0.506 1.395 376 HB ILE 41 HB ILE 41 63.017 -1.980 2.777 377 1HG1 ILE 41 HG12 ILE 41 61.585 -2.001 0.407 378 2HG1 ILE 41 HG11 ILE 41 62.853 -0.819 0.085 379 1HG2 ILE 41 HG22 ILE 41 60.619 -0.264 2.126 380 2HG2 ILE 41 HG21 ILE 41 60.550 -2.007 2.384 381 3HG2 ILE 41 HG23 ILE 41 61.043 -0.940 3.699 382 1HD1 ILE 41 HD11 ILE 41 63.669 -3.353 1.430 383 2HD1 ILE 41 HD13 ILE 41 63.232 -3.450 -0.276 384 3HD1 ILE 41 HD12 ILE 41 64.538 -2.384 0.241 385 H ALA 42 HN ALA 42 62.932 0.186 4.858 386 HA ALA 42 HA ALA 42 60.758 2.003 5.000 387 1HB ALA 42 HB2 ALA 42 61.473 0.387 6.806 388 2HB ALA 42 HB1 ALA 42 62.804 1.486 7.168 389 3HB ALA 42 HB3 ALA 42 61.137 2.019 7.385 390 H ASN 43 HN ASN 43 64.211 2.538 5.698 391 HA ASN 43 HA ASN 43 63.956 5.381 5.994 392 1HB ASN 43 HB2 ASN 43 66.269 3.546 5.361 393 2HB ASN 43 HB1 ASN 43 66.475 5.297 5.370 394 1HD2 ASN 43 HD22 ASN 43 65.826 3.332 8.912 395 2HD2 ASN 43 HD21 ASN 43 65.504 2.543 7.445 396 H GLN 44 HN GLN 44 63.882 3.270 3.262 397 HA GLN 44 HA GLN 44 64.781 5.151 1.278 398 1HB GLN 44 HB2 GLN 44 63.761 2.422 1.371 399 2HB GLN 44 HB1 GLN 44 63.195 3.303 -0.039 400 1HG GLN 44 HG2 GLN 44 66.093 3.060 0.823 401 2HG GLN 44 HG1 GLN 44 65.337 2.099 -0.448 402 1HE2 GLN 44 HE22 GLN 44 65.154 4.849 -2.760 403 2HE2 GLN 44 HE21 GLN 44 64.399 3.390 -2.332 404 H LEU 45 HN LEU 45 61.648 4.386 2.728 405 HA LEU 45 HA LEU 45 60.549 6.666 1.158 406 1HB LEU 45 HB2 LEU 45 58.510 5.575 0.693 407 2HB LEU 45 HB1 LEU 45 59.754 4.384 0.346 408 HG LEU 45 HG LEU 45 58.324 4.494 3.004 409 1HD1 LEU 45 HD12 LEU 45 57.018 4.021 0.655 410 2HD1 LEU 45 HD11 LEU 45 57.612 2.407 1.030 411 3HD1 LEU 45 HD13 LEU 45 56.589 3.256 2.179 412 1HD2 LEU 45 HD23 LEU 45 60.220 2.683 1.573 413 2HD2 LEU 45 HD22 LEU 45 60.201 3.165 3.270 414 3HD2 LEU 45 HD21 LEU 45 59.049 1.968 2.679 415 H GLY 46 HN GLY 46 61.574 6.309 4.004 416 1HA GLY 46 HA2 GLY 46 60.999 7.021 6.163 417 2HA GLY 46 HA1 GLY 46 60.146 8.282 5.288 418 H LEU 47 HN LEU 47 59.152 4.873 5.177 419 HA LEU 47 HA LEU 47 56.627 5.723 6.521 420 1HB LEU 47 HB2 LEU 47 55.454 4.141 5.326 421 2HB LEU 47 HB1 LEU 47 56.773 4.388 4.200 422 HG LEU 47 HG LEU 47 56.490 2.145 6.201 423 1HD1 LEU 47 HD11 LEU 47 55.353 2.338 3.753 424 2HD1 LEU 47 HD13 LEU 47 56.915 1.650 3.311 425 3HD1 LEU 47 HD12 LEU 47 55.871 0.804 4.454 426 1HD2 LEU 47 HD22 LEU 47 58.820 3.139 4.699 427 2HD2 LEU 47 HD21 LEU 47 58.758 2.273 6.223 428 3HD2 LEU 47 HD23 LEU 47 58.588 1.401 4.703 429 H GLU 48 HN GLU 48 55.615 3.628 7.716 430 HA GLU 48 HA GLU 48 57.548 2.991 9.853 431 1HB GLU 48 HB2 GLU 48 54.965 3.714 10.037 432 2HB GLU 48 HB1 GLU 48 54.741 1.970 9.905 433 1HG GLU 48 HG2 GLU 48 55.021 2.118 12.186 434 2HG GLU 48 HG1 GLU 48 56.714 1.969 11.711 435 H LYS 49 HN LYS 49 58.183 0.860 10.284 436 HA LYS 49 HA LYS 49 58.464 -0.963 8.158 437 1HB LYS 49 HB2 LYS 49 59.513 -0.832 10.613 438 2HB LYS 49 HB1 LYS 49 58.292 -2.064 10.921 439 1HG LYS 49 HG2 LYS 49 59.680 -2.588 8.416 440 2HG LYS 49 HG1 LYS 49 60.823 -2.453 9.751 441 1HD LYS 49 HD2 LYS 49 58.829 -3.975 10.881 442 2HD LYS 49 HD1 LYS 49 58.805 -4.536 9.211 443 1HE LYS 49 HE2 LYS 49 60.551 -5.856 9.768 444 2HE LYS 49 HE1 LYS 49 61.523 -4.386 9.810 445 1HZ LYS 49 HZ1 LYS 49 59.931 -5.065 12.176 446 2HZ LYS 49 HZ3 LYS 49 61.345 -5.955 11.883 447 3HZ LYS 49 HZ2 LYS 49 61.428 -4.268 12.068 448 H ASP 50 HN ASP 50 55.705 -0.448 10.224 449 HA ASP 50 HA ASP 50 54.512 -3.059 9.814 450 1HB ASP 50 HB2 ASP 50 53.704 -0.482 11.053 451 2HB ASP 50 HB1 ASP 50 52.396 -1.520 10.485 452 H VAL 51 HN VAL 51 54.193 0.107 8.163 453 HA VAL 51 HA VAL 51 52.066 -0.960 6.439 454 HB VAL 51 HB VAL 51 52.121 1.445 7.031 455 1HG1 VAL 51 HG12 VAL 51 54.870 1.160 6.139 456 2HG1 VAL 51 HG11 VAL 51 54.072 2.491 5.304 457 3HG1 VAL 51 HG13 VAL 51 54.131 2.462 7.067 458 1HG2 VAL 51 HG21 VAL 51 51.271 0.459 4.762 459 2HG2 VAL 51 HG23 VAL 51 51.448 2.207 4.915 460 3HG2 VAL 51 HG22 VAL 51 52.682 1.267 4.078 461 H VAL 52 HN VAL 52 55.521 -0.949 6.476 462 HA VAL 52 HA VAL 52 55.812 -1.280 3.599 463 HB VAL 52 HB VAL 52 57.515 -0.402 5.500 464 1HG1 VAL 52 HG11 VAL 52 57.611 -2.846 6.396 465 2HG1 VAL 52 HG13 VAL 52 58.663 -3.131 5.009 466 3HG1 VAL 52 HG12 VAL 52 59.112 -1.937 6.226 467 1HG2 VAL 52 HG22 VAL 52 57.588 -0.608 2.869 468 2HG2 VAL 52 HG21 VAL 52 59.054 -0.270 3.785 469 3HG2 VAL 52 HG23 VAL 52 58.727 -1.908 3.221 470 NH1 ARG 53 NH1 ARG 53 52.569 -9.737 8.359 471 NH2 ARG 53 NH2 ARG 53 51.994 -7.640 8.974 472 H ARG 53 HN ARG 53 55.550 -3.363 6.429 473 HA ARG 53 HA ARG 53 56.213 -5.797 4.960 474 1HB ARG 53 HB2 ARG 53 56.349 -5.322 7.544 475 2HB ARG 53 HB1 ARG 53 54.650 -5.797 7.527 476 1HG ARG 53 HG2 ARG 53 56.529 -7.559 6.036 477 2HG ARG 53 HG1 ARG 53 56.653 -7.587 7.795 478 1HD ARG 53 HD2 ARG 53 54.055 -7.939 6.276 479 2HD ARG 53 HD1 ARG 53 55.033 -9.276 6.881 480 HE ARG 53 HE ARG 53 54.634 -7.705 9.120 481 1HH1 ARG 53 HH11 ARG 53 53.260 -10.391 8.051 482 2HH1 ARG 53 HH12 ARG 53 51.626 -10.038 8.504 483 1HH2 ARG 53 HH21 ARG 53 52.245 -6.686 9.138 484 2HH2 ARG 53 HH22 ARG 53 51.051 -7.941 9.120 485 H VAL 54 HN VAL 54 53.264 -4.090 5.912 486 HA VAL 54 HA VAL 54 51.472 -6.184 4.981 487 HB VAL 54 HB VAL 54 50.887 -3.234 5.378 488 1HG1 VAL 54 HG11 VAL 54 49.205 -5.726 5.119 489 2HG1 VAL 54 HG13 VAL 54 48.584 -4.279 5.913 490 3HG1 VAL 54 HG12 VAL 54 49.072 -4.215 4.220 491 1HG2 VAL 54 HG23 VAL 54 51.848 -4.919 7.319 492 2HG2 VAL 54 HG22 VAL 54 50.772 -3.560 7.634 493 3HG2 VAL 54 HG21 VAL 54 50.111 -5.186 7.464 494 CH2 TRP 55 CH2 TRP 55 56.352 -2.561 -2.975 495 H TRP 55 HN TRP 55 52.990 -3.337 3.591 496 HA TRP 55 HA TRP 55 51.433 -3.351 1.139 497 1HB TRP 55 HB2 TRP 55 52.494 -1.282 1.829 498 2HB TRP 55 HB1 TRP 55 54.071 -2.057 1.918 499 HD1 TRP 55 HD1 TRP 55 51.672 -0.403 -0.517 500 HE1 TRP 55 HE1 TRP 55 52.792 -0.251 -2.801 501 HE3 TRP 55 HE3 TRP 55 55.784 -3.353 0.274 502 HZ2 TRP 55 HZ2 TRP 55 55.086 -1.301 -4.179 503 HZ3 TRP 55 HZ3 TRP 55 57.413 -3.758 -1.536 504 HH2 TRP 55 HH2 TRP 55 57.063 -2.743 -3.764 505 H PHE 56 HN PHE 56 54.440 -4.883 2.232 506 HA PHE 56 HA PHE 56 54.872 -5.944 -0.479 507 1HB PHE 56 HB2 PHE 56 56.770 -5.235 1.156 508 2HB PHE 56 HB1 PHE 56 56.494 -6.816 1.891 509 HD1 PHE 56 HD2 PHE 56 56.441 -5.585 -1.662 510 HD2 PHE 56 HD1 PHE 56 58.111 -8.356 1.161 511 HE1 PHE 56 HE2 PHE 56 57.717 -6.661 -3.484 512 HE2 PHE 56 HE1 PHE 56 59.385 -9.442 -0.670 513 HZ PHE 56 HZ PHE 56 59.183 -8.589 -2.995 514 H CYS 57 HN CYS 57 53.094 -6.834 2.272 515 HA CYS 57 HA CYS 57 53.371 -9.706 2.087 516 1HB CYS 57 HB2 CYS 57 51.572 -7.778 3.454 517 2HB CYS 57 HB1 CYS 57 50.843 -9.337 3.075 518 HG CYS 57 HG CYS 57 53.569 -9.318 4.581 519 H ASN 58 HN ASN 58 51.301 -7.258 0.631 520 HA ASN 58 HA ASN 58 49.704 -9.174 -0.888 521 1HB ASN 58 HB2 ASN 58 48.913 -6.859 -0.236 522 2HB ASN 58 HB1 ASN 58 50.081 -6.201 -1.382 523 1HD2 ASN 58 HD22 ASN 58 46.610 -7.825 -2.749 524 2HD2 ASN 58 HD21 ASN 58 46.989 -7.848 -1.094 525 NH1 ARG 59 NH1 ARG 59 50.533 -6.109 -5.442 526 NH2 ARG 59 NH2 ARG 59 51.723 -6.469 -7.329 527 H ARG 59 HN ARG 59 52.486 -7.040 -1.452 528 HA ARG 59 HA ARG 59 52.780 -7.615 -4.255 529 1HB ARG 59 HB2 ARG 59 54.186 -6.124 -2.244 530 2HB ARG 59 HB1 ARG 59 55.363 -7.118 -3.107 531 1HG ARG 59 HG2 ARG 59 55.097 -4.947 -4.209 532 2HG ARG 59 HG1 ARG 59 54.497 -6.237 -5.251 533 1HD ARG 59 HD2 ARG 59 52.252 -5.561 -3.775 534 2HD ARG 59 HD1 ARG 59 53.042 -4.010 -4.014 535 HE ARG 59 HE ARG 59 52.809 -4.316 -6.420 536 1HH1 ARG 59 HH11 ARG 59 50.418 -5.639 -4.566 537 2HH1 ARG 59 HH12 ARG 59 49.851 -6.774 -5.745 538 1HH2 ARG 59 HH21 ARG 59 52.519 -6.274 -7.901 539 2HH2 ARG 59 HH22 ARG 59 51.042 -7.137 -7.630 540 NH1 ARG 60 NH1 ARG 60 57.790 -14.516 1.478 541 NH2 ARG 60 NH2 ARG 60 58.148 -13.000 3.118 542 H ARG 60 HN ARG 60 53.388 -9.528 -1.443 543 HA ARG 60 HA ARG 60 55.382 -11.252 -2.744 544 1HB ARG 60 HB2 ARG 60 54.308 -10.872 -0.051 545 2HB ARG 60 HB1 ARG 60 54.381 -12.579 -0.482 546 1HG ARG 60 HG2 ARG 60 56.706 -12.526 -0.819 547 2HG ARG 60 HG1 ARG 60 56.732 -10.772 -1.008 548 1HD ARG 60 HD2 ARG 60 57.582 -11.084 1.166 549 2HD ARG 60 HD1 ARG 60 55.880 -10.718 1.449 550 HE ARG 60 HE ARG 60 55.500 -13.109 1.858 551 1HH1 ARG 60 HH11 ARG 60 57.251 -14.839 0.700 552 2HH1 ARG 60 HH12 ARG 60 58.590 -15.033 1.780 553 1HH2 ARG 60 HH21 ARG 60 57.884 -12.162 3.595 554 2HH2 ARG 60 HH22 ARG 60 58.950 -13.516 3.420 555 H GLN 61 HN GLN 61 51.986 -11.460 -1.690 556 HA GLN 61 HA GLN 61 51.672 -13.855 -3.450 557 1HB GLN 61 HB2 GLN 61 49.703 -14.421 -2.086 558 2HB GLN 61 HB1 GLN 61 51.128 -14.252 -1.064 559 1HG GLN 61 HG2 GLN 61 50.124 -11.675 -1.102 560 2HG GLN 61 HG1 GLN 61 48.657 -12.652 -1.119 561 1HE2 GLN 61 HE22 GLN 61 49.186 -13.985 2.156 562 2HE2 GLN 61 HE21 GLN 61 48.390 -14.245 0.679 563 H LYS 62 HN LYS 62 51.693 -11.891 -5.048 564 HA LYS 62 HA LYS 62 49.190 -10.397 -5.235 565 1HB LYS 62 HB2 LYS 62 50.142 -9.645 -7.430 566 2HB LYS 62 HB1 LYS 62 51.230 -9.367 -6.070 567 1HG LYS 62 HG2 LYS 62 52.618 -11.190 -6.658 568 2HG LYS 62 HG1 LYS 62 51.392 -11.891 -7.714 569 1HD LYS 62 HD2 LYS 62 52.253 -9.140 -8.413 570 2HD LYS 62 HD1 LYS 62 53.475 -10.394 -8.623 571 1HE LYS 62 HE2 LYS 62 52.087 -11.638 -10.112 572 2HE LYS 62 HE1 LYS 62 50.662 -10.689 -9.689 573 1HZ LYS 62 HZ2 LYS 62 52.082 -8.730 -10.554 574 2HZ LYS 62 HZ1 LYS 62 52.963 -9.939 -11.361 575 3HZ LYS 62 HZ3 LYS 62 51.306 -9.750 -11.669 576 H GLY 63 HN GLY 63 50.466 -13.413 -6.470 577 1HA GLY 63 HA2 GLY 63 48.135 -14.669 -7.117 578 2HA GLY 63 HA1 GLY 63 48.410 -13.668 -8.542 579 H LYS 64 HN LYS 64 50.177 -15.968 -6.446 580 HA LYS 64 HA LYS 64 51.143 -17.369 -8.857 581 1HB LYS 64 HB2 LYS 64 52.890 -15.812 -6.985 582 2HB LYS 64 HB1 LYS 64 53.507 -17.316 -7.671 583 1HG LYS 64 HG2 LYS 64 52.397 -16.075 -9.878 584 2HG LYS 64 HG1 LYS 64 53.049 -14.713 -8.968 585 1HD LYS 64 HD2 LYS 64 55.248 -15.561 -9.037 586 2HD LYS 64 HD1 LYS 64 54.702 -17.191 -9.433 587 1HE LYS 64 HE2 LYS 64 53.775 -16.163 -11.607 588 2HE LYS 64 HE1 LYS 64 54.766 -14.758 -11.223 589 1HZ LYS 64 HZ1 LYS 64 56.429 -16.931 -10.891 590 2HZ LYS 64 HZ3 LYS 64 55.549 -17.272 -12.301 591 3HZ LYS 64 HZ2 LYS 64 56.435 -15.829 -12.184 592 NH1 ARG 65 NH1 ARG 65 55.986 -22.669 -3.932 593 NH2 ARG 65 NH2 ARG 65 57.514 -21.102 -3.367 594 H ARG 65 HN ARG 65 51.368 -17.144 -5.316 595 HA ARG 65 HA ARG 65 51.144 -20.124 -5.241 596 1HB ARG 65 HB2 ARG 65 52.706 -18.228 -3.476 597 2HB ARG 65 HB1 ARG 65 52.335 -19.881 -2.983 598 1HG ARG 65 HG2 ARG 65 53.541 -20.802 -4.835 599 2HG ARG 65 HG1 ARG 65 53.683 -19.224 -5.610 600 1HD ARG 65 HD2 ARG 65 55.763 -19.310 -4.629 601 2HD ARG 65 HD1 ARG 65 54.861 -18.629 -3.275 602 HE ARG 65 HE ARG 65 54.812 -20.866 -2.266 603 1HH1 ARG 65 HH11 ARG 65 55.033 -22.963 -4.005 604 2HH1 ARG 65 HH12 ARG 65 56.722 -23.283 -4.218 605 1HH2 ARG 65 HH21 ARG 65 57.732 -20.195 -3.008 606 2HH2 ARG 65 HH22 ARG 65 58.250 -21.718 -3.651 607 H SER 66 HN SER 66 49.205 -20.731 -4.453 608 HA SER 66 HA SER 66 48.103 -19.480 -2.042 609 1HB SER 66 HB2 SER 66 45.964 -18.856 -3.061 610 2HB SER 66 HB1 SER 66 47.276 -17.990 -3.856 611 HG SER 66 HG SER 66 45.502 -19.740 -4.881 612 H SER 67 HN SER 67 46.653 -20.882 -0.996 613 HA SER 67 HA SER 67 45.570 -23.227 -2.377 614 1HB SER 67 HB2 SER 67 48.015 -23.761 -1.768 615 2HB SER 67 HB1 SER 67 47.479 -23.739 -0.091 616 HG SER 67 HG SER 67 46.334 -25.514 -0.421 Start of MODEL 3 Raw file had 616 H/Q atoms Start of MODEL 3 1 1H MET 1 HT2 MET 1 81.451 11.027 -19.196 2 2H MET 1 HT1 MET 1 82.564 12.086 -18.471 3 3H MET 1 HT3 MET 1 83.016 10.488 -18.812 4 HA MET 1 HA MET 1 81.562 9.617 -17.170 5 1HB MET 1 HB2 MET 1 83.805 10.860 -16.551 6 2HB MET 1 HB1 MET 1 82.716 12.024 -15.795 7 1HG MET 1 HG2 MET 1 81.701 10.249 -14.450 8 2HG MET 1 HG1 MET 1 82.709 9.041 -15.247 9 1HE MET 1 HE2 MET 1 83.229 8.129 -13.395 10 2HE MET 1 HE1 MET 1 84.971 8.269 -13.176 11 3HE MET 1 HE3 MET 1 83.870 8.819 -11.907 12 H GLU 2 HN GLU 2 79.821 9.945 -15.677 13 HA GLU 2 HA GLU 2 78.425 12.571 -15.826 14 1HB GLU 2 HB2 GLU 2 77.486 10.956 -17.546 15 2HB GLU 2 HB1 GLU 2 76.979 9.936 -16.199 16 1HG GLU 2 HG2 GLU 2 75.663 11.811 -15.275 17 2HG GLU 2 HG1 GLU 2 76.160 12.824 -16.631 18 H THR 3 HN THR 3 78.521 9.338 -14.315 19 HA THR 3 HA THR 3 77.132 10.349 -11.929 20 HB THR 3 HB THR 3 78.426 7.638 -12.172 21 HG1 THR 3 HG1 THR 3 75.927 8.462 -13.231 22 1HG2 THR 3 HG23 THR 3 76.007 8.775 -10.752 23 2HG2 THR 3 HG22 THR 3 76.353 7.047 -10.840 24 3HG2 THR 3 HG21 THR 3 77.476 8.132 -10.020 25 H LEU 4 HN LEU 4 78.115 10.287 -9.831 26 HA LEU 4 HA LEU 4 81.072 10.063 -9.731 27 1HB LEU 4 HB2 LEU 4 81.212 12.236 -8.504 28 2HB LEU 4 HB1 LEU 4 80.693 12.430 -10.178 29 HG LEU 4 HG LEU 4 78.282 12.107 -8.979 30 1HD1 LEU 4 HD13 LEU 4 79.990 12.347 -6.795 31 2HD1 LEU 4 HD12 LEU 4 79.347 13.977 -6.990 32 3HD1 LEU 4 HD11 LEU 4 78.248 12.615 -6.776 33 1HD2 LEU 4 HD21 LEU 4 79.901 14.651 -9.299 34 2HD2 LEU 4 HD23 LEU 4 78.808 13.932 -10.482 35 3HD2 LEU 4 HD22 LEU 4 78.165 14.627 -8.994 36 H VAL 5 HN VAL 5 81.635 10.676 -7.216 37 HA VAL 5 HA VAL 5 79.685 9.124 -5.561 38 HB VAL 5 HB VAL 5 81.743 7.844 -6.012 39 1HG1 VAL 5 HG11 VAL 5 82.985 10.398 -5.632 40 2HG1 VAL 5 HG13 VAL 5 83.647 9.279 -4.440 41 3HG1 VAL 5 HG12 VAL 5 83.725 8.887 -6.156 42 1HG2 VAL 5 HG22 VAL 5 81.319 8.873 -3.200 43 2HG2 VAL 5 HG21 VAL 5 80.771 7.351 -3.901 44 3HG2 VAL 5 HG23 VAL 5 82.483 7.599 -3.560 45 H GLN 6 HN GLN 6 78.849 11.422 -5.236 46 HA GLN 6 HA GLN 6 80.084 12.521 -2.785 47 1HB GLN 6 HB2 GLN 6 80.926 13.695 -4.997 48 2HB GLN 6 HB1 GLN 6 79.349 14.484 -4.932 49 1HG GLN 6 HG2 GLN 6 79.841 15.621 -2.981 50 2HG GLN 6 HG1 GLN 6 80.970 14.385 -2.422 51 1HE2 GLN 6 HE22 GLN 6 82.768 17.493 -3.744 52 2HE2 GLN 6 HE21 GLN 6 81.440 17.341 -2.697 53 H ALA 7 HN ALA 7 77.527 11.139 -3.637 54 HA ALA 7 HA ALA 7 75.455 13.160 -3.404 55 1HB ALA 7 HB1 ALA 7 75.076 11.070 -4.670 56 2HB ALA 7 HB3 ALA 7 75.280 10.141 -3.185 57 3HB ALA 7 HB2 ALA 7 73.912 11.242 -3.357 58 NH1 ARG 8 NH1 ARG 8 72.745 17.240 -1.076 59 NH2 ARG 8 NH2 ARG 8 74.472 18.581 -1.645 60 H ARG 8 HN ARG 8 73.679 12.419 -1.594 61 HA ARG 8 HA ARG 8 75.171 12.445 0.969 62 1HB ARG 8 HB2 ARG 8 72.633 13.748 0.064 63 2HB ARG 8 HB1 ARG 8 72.836 13.367 1.775 64 1HG ARG 8 HG2 ARG 8 73.683 15.578 1.526 65 2HG ARG 8 HG1 ARG 8 75.108 14.542 1.610 66 1HD ARG 8 HD2 ARG 8 75.644 14.862 -0.601 67 2HD ARG 8 HD1 ARG 8 73.959 15.027 -1.094 68 HE ARG 8 HE ARG 8 75.526 17.203 0.231 69 1HH1 ARG 8 HH11 ARG 8 72.393 16.439 -0.590 70 2HH1 ARG 8 HH12 ARG 8 72.123 17.813 -1.609 71 1HH2 ARG 8 HH21 ARG 8 75.444 18.809 -1.596 72 2HH2 ARG 8 HH22 ARG 8 73.850 19.155 -2.179 73 H LYS 9 HN LYS 9 72.181 11.201 -0.531 74 HA LYS 9 HA LYS 9 72.386 8.862 1.267 75 1HB LYS 9 HB2 LYS 9 69.917 8.891 1.573 76 2HB LYS 9 HB1 LYS 9 70.690 10.322 2.254 77 1HG LYS 9 HG2 LYS 9 70.223 11.245 -0.230 78 2HG LYS 9 HG1 LYS 9 68.904 10.080 -0.116 79 1HD LYS 9 HD2 LYS 9 67.922 11.174 1.710 80 2HD LYS 9 HD1 LYS 9 69.420 11.998 2.143 81 1HE LYS 9 HE2 LYS 9 68.015 13.658 1.143 82 2HE LYS 9 HE1 LYS 9 69.228 13.246 -0.070 83 1HZ LYS 9 HZ3 LYS 9 67.523 11.554 -0.870 84 2HZ LYS 9 HZ2 LYS 9 66.395 12.424 0.056 85 3HZ LYS 9 HZ1 LYS 9 67.224 13.188 -1.216 86 NH1 ARG 10 NH2 ARG 10 71.048 9.956 -8.067 87 NH2 ARG 10 NH1 ARG 10 72.885 9.259 -9.184 88 H ARG 10 HN ARG 10 73.378 8.310 -0.995 89 HA ARG 10 HA ARG 10 71.258 7.485 -2.886 90 1HB ARG 10 HB2 ARG 10 73.405 8.828 -3.557 91 2HB ARG 10 HB1 ARG 10 74.200 7.258 -3.450 92 1HG ARG 10 HG2 ARG 10 73.305 6.571 -5.405 93 2HG ARG 10 HG1 ARG 10 71.685 7.067 -4.916 94 1HD ARG 10 HD2 ARG 10 72.220 9.402 -5.526 95 2HD ARG 10 HD1 ARG 10 73.832 8.897 -6.033 96 HE ARG 10 HE ARG 10 72.059 7.285 -7.482 97 1HH1 ARG 10 HH21 ARG 10 70.419 9.867 -7.295 98 2HH1 ARG 10 HH22 ARG 10 70.898 10.665 -8.756 99 1HH2 ARG 10 HH11 ARG 10 73.664 8.637 -9.268 100 2HH2 ARG 10 HH12 ARG 10 72.735 9.968 -9.873 101 H LYS 11 HN LYS 11 70.982 5.880 -0.879 102 HA LYS 11 HA LYS 11 72.226 3.352 -1.730 103 1HB LYS 11 HB2 LYS 11 73.535 4.437 0.212 104 2HB LYS 11 HB1 LYS 11 72.121 4.061 1.198 105 1HG LYS 11 HG2 LYS 11 72.471 1.787 1.085 106 2HG LYS 11 HG1 LYS 11 73.220 1.875 -0.509 107 1HD LYS 11 HD2 LYS 11 75.306 2.197 0.346 108 2HD LYS 11 HD1 LYS 11 74.723 3.253 1.631 109 1HE LYS 11 HE2 LYS 11 75.174 1.494 2.995 110 2HE LYS 11 HE1 LYS 11 73.657 0.836 2.382 111 1HZ LYS 11 HZ1 LYS 11 74.894 -0.285 0.634 112 2HZ LYS 11 HZ3 LYS 11 76.351 0.344 1.233 113 3HZ LYS 11 HZ2 LYS 11 75.455 -0.756 2.167 114 NH1 ARG 12 NH1 ARG 12 65.298 7.462 -3.113 115 NH2 ARG 12 NH2 ARG 12 67.509 7.489 -3.577 116 H ARG 12 HN ARG 12 70.045 2.970 -2.520 117 HA ARG 12 HA ARG 12 67.997 2.593 -0.380 118 1HB ARG 12 HB2 ARG 12 67.845 3.756 -2.929 119 2HB ARG 12 HB1 ARG 12 67.061 2.189 -3.118 120 1HG ARG 12 HG2 ARG 12 65.339 2.727 -1.698 121 2HG ARG 12 HG1 ARG 12 66.360 3.739 -0.676 122 1HD ARG 12 HD2 ARG 12 65.412 4.492 -3.456 123 2HD ARG 12 HD1 ARG 12 64.693 5.075 -1.955 124 HE ARG 12 HE ARG 12 67.436 5.677 -1.788 125 1HH1 ARG 12 HH11 ARG 12 64.509 7.026 -2.679 126 2HH1 ARG 12 HH12 ARG 12 65.181 8.314 -3.624 127 1HH2 ARG 12 HH21 ARG 12 68.416 7.075 -3.499 128 2HH2 ARG 12 HH22 ARG 12 67.391 8.341 -4.087 129 H THR 13 HN THR 13 70.311 0.751 -1.084 130 HA THR 13 HA THR 13 68.994 -1.601 -2.254 131 HB THR 13 HB THR 13 71.648 -1.729 -0.867 132 HG1 THR 13 HG1 THR 13 72.124 0.007 -1.989 133 1HG2 THR 13 HG22 THR 13 70.159 -3.414 -2.544 134 2HG2 THR 13 HG21 THR 13 71.434 -2.763 -3.574 135 3HG2 THR 13 HG23 THR 13 71.851 -3.611 -2.087 136 H SER 14 HN SER 14 68.665 -0.219 0.701 137 HA SER 14 HA SER 14 68.203 -2.856 2.000 138 1HB SER 14 HB2 SER 14 68.927 -1.364 4.142 139 2HB SER 14 HB1 SER 14 70.064 -2.370 3.250 140 HG SER 14 HG SER 14 70.570 -0.027 3.626 141 H ILE 15 HN ILE 15 67.070 -2.071 4.329 142 HA ILE 15 HA ILE 15 64.640 -0.653 3.403 143 HB ILE 15 HB ILE 15 65.241 -2.255 5.900 144 1HG1 ILE 15 HG12 ILE 15 64.920 -3.551 3.817 145 2HG1 ILE 15 HG11 ILE 15 63.585 -3.812 4.938 146 1HG2 ILE 15 HG23 ILE 15 63.178 -0.260 5.427 147 2HG2 ILE 15 HG22 ILE 15 62.457 -1.848 5.686 148 3HG2 ILE 15 HG21 ILE 15 63.535 -1.160 6.901 149 1HD1 ILE 15 HD13 ILE 15 62.337 -1.961 3.685 150 2HD1 ILE 15 HD12 ILE 15 63.608 -2.064 2.467 151 3HD1 ILE 15 HD11 ILE 15 62.583 -3.457 2.788 152 H GLU 16 HN GLU 16 65.643 1.477 3.351 153 HA GLU 16 HA GLU 16 66.700 2.675 5.760 154 1HB GLU 16 HB2 GLU 16 66.515 3.408 3.049 155 2HB GLU 16 HB1 GLU 16 65.492 4.571 3.891 156 1HG GLU 16 HG2 GLU 16 67.659 5.538 3.936 157 2HG GLU 16 HG1 GLU 16 67.452 4.837 5.542 158 H ASN 17 HN ASN 17 65.510 4.198 7.106 159 HA ASN 17 HA ASN 17 62.875 3.342 7.767 160 1HB ASN 17 HB2 ASN 17 64.546 5.727 8.511 161 2HB ASN 17 HB1 ASN 17 62.844 5.686 8.976 162 1HD2 ASN 17 HD22 ASN 17 65.327 3.808 11.358 163 2HD2 ASN 17 HD21 ASN 17 65.671 5.166 10.399 164 NH1 ARG 18 NH2 ARG 18 66.827 9.717 6.171 165 NH2 ARG 18 NH1 ARG 18 68.130 9.451 4.344 166 H ARG 18 HN ARG 18 64.022 5.676 5.452 167 HA ARG 18 HA ARG 18 61.384 6.916 5.121 168 1HB ARG 18 HB2 ARG 18 63.871 7.126 3.392 169 2HB ARG 18 HB1 ARG 18 62.444 8.158 3.286 170 1HG ARG 18 HG2 ARG 18 62.830 9.017 5.524 171 2HG ARG 18 HG1 ARG 18 64.161 7.886 5.769 172 1HD ARG 18 HD2 ARG 18 64.242 9.774 3.435 173 2HD ARG 18 HD1 ARG 18 64.680 10.359 5.040 174 HE ARG 18 HE ARG 18 66.070 8.078 3.690 175 1HH1 ARG 18 HH21 ARG 18 65.938 9.632 6.620 176 2HH1 ARG 18 HH22 ARG 18 67.608 10.090 6.673 177 1HH2 ARG 18 HH11 ARG 18 68.240 9.162 3.392 178 2HH2 ARG 18 HH12 ARG 18 68.911 9.824 4.845 179 H VAL 19 HN VAL 19 63.224 4.267 3.736 180 HA VAL 19 HA VAL 19 61.679 4.055 1.324 181 HB VAL 19 HB VAL 19 63.981 2.854 2.127 182 1HG1 VAL 19 HG12 VAL 19 61.842 0.721 2.441 183 2HG1 VAL 19 HG11 VAL 19 63.555 0.396 2.231 184 3HG1 VAL 19 HG13 VAL 19 62.996 1.249 3.668 185 1HG2 VAL 19 HG21 VAL 19 62.815 3.109 -0.158 186 2HG2 VAL 19 HG23 VAL 19 63.889 1.726 0.049 187 3HG2 VAL 19 HG22 VAL 19 62.142 1.509 0.153 188 NH1 ARG 20 NH1 ARG 20 58.451 -1.846 8.227 189 NH2 ARG 20 NH2 ARG 20 59.493 -1.375 10.175 190 H ARG 20 HN ARG 20 61.409 2.504 4.515 191 HA ARG 20 HA ARG 20 59.155 0.874 3.851 192 1HB ARG 20 HB2 ARG 20 60.192 2.010 6.435 193 2HB ARG 20 HB1 ARG 20 58.666 1.131 6.397 194 1HG ARG 20 HG2 ARG 20 59.701 -0.866 5.655 195 2HG ARG 20 HG1 ARG 20 61.191 -0.026 5.222 196 1HD ARG 20 HD2 ARG 20 61.278 -1.339 7.404 197 2HD ARG 20 HD1 ARG 20 61.755 0.353 7.520 198 HE ARG 20 HE ARG 20 59.613 0.824 8.602 199 1HH1 ARG 20 HH11 ARG 20 58.279 -1.637 7.264 200 2HH1 ARG 20 HH12 ARG 20 57.995 -2.623 8.659 201 1HH2 ARG 20 HH21 ARG 20 60.120 -0.805 10.706 202 2HH2 ARG 20 HH22 ARG 20 59.036 -2.153 10.608 203 CH2 TRP 21 CH2 TRP 21 55.962 1.642 9.205 204 H TRP 21 HN TRP 21 59.208 4.125 5.346 205 HA TRP 21 HA TRP 21 56.316 4.219 5.026 206 1HB TRP 21 HB2 TRP 21 58.327 5.941 6.353 207 2HB TRP 21 HB1 TRP 21 56.937 6.801 5.672 208 HD1 TRP 21 HD1 TRP 21 55.172 7.059 7.556 209 HE1 TRP 21 HE1 TRP 21 54.081 5.459 9.269 210 HE3 TRP 21 HE3 TRP 21 58.005 2.893 6.830 211 HZ2 TRP 21 HZ2 TRP 21 54.379 2.716 10.174 212 HZ3 TRP 21 HZ3 TRP 21 57.591 0.818 8.060 213 HH2 TRP 21 HH2 TRP 21 55.776 0.732 9.751 214 H SER 22 HN SER 22 58.805 4.523 2.862 215 HA SER 22 HA SER 22 57.597 6.563 1.160 216 1HB SER 22 HB2 SER 22 59.939 6.275 0.755 217 2HB SER 22 HB1 SER 22 59.803 4.522 0.778 218 HG SER 22 HG SER 22 59.884 5.078 -1.341 219 H LEU 23 HN LEU 23 57.637 3.064 1.658 220 HA LEU 23 HA LEU 23 56.014 2.193 -0.537 221 1HB LEU 23 HB2 LEU 23 56.057 1.192 2.346 222 2HB LEU 23 HB1 LEU 23 55.358 0.327 1.005 223 HG LEU 23 HG LEU 23 58.225 1.084 0.750 224 1HD1 LEU 23 HD13 LEU 23 57.504 0.065 3.145 225 2HD1 LEU 23 HD12 LEU 23 57.587 -1.437 2.228 226 3HD1 LEU 23 HD11 LEU 23 59.007 -0.400 2.348 227 1HD2 LEU 23 HD23 LEU 23 56.314 -0.995 -0.199 228 2HD2 LEU 23 HD22 LEU 23 57.650 -0.229 -1.058 229 3HD2 LEU 23 HD21 LEU 23 57.968 -1.542 0.074 230 H GLU 24 HN GLU 24 55.373 3.391 2.706 231 HA GLU 24 HA GLU 24 52.525 3.265 2.695 232 1HB GLU 24 HB2 GLU 24 54.101 3.686 4.661 233 2HB GLU 24 HB1 GLU 24 54.192 5.356 4.108 234 1HG GLU 24 HG2 GLU 24 51.438 4.702 4.148 235 2HG GLU 24 HG1 GLU 24 52.113 4.058 5.643 236 H THR 25 HN THR 25 54.753 5.694 1.443 237 HA THR 25 HA THR 25 52.758 7.742 1.024 238 HB THR 25 HB THR 25 55.400 7.372 -0.417 239 HG1 THR 25 HG1 THR 25 54.789 8.793 1.960 240 1HG2 THR 25 HG21 THR 25 53.300 9.405 -0.462 241 2HG2 THR 25 HG23 THR 25 54.871 10.076 -0.024 242 3HG2 THR 25 HG22 THR 25 54.681 9.194 -1.538 243 H MET 26 HN MET 26 53.836 4.967 -0.827 244 HA MET 26 HA MET 26 52.501 5.895 -3.283 245 1HB MET 26 HB2 MET 26 54.595 4.169 -2.765 246 2HB MET 26 HB1 MET 26 53.278 3.061 -3.146 247 1HG MET 26 HG2 MET 26 52.956 4.958 -5.100 248 2HG MET 26 HG1 MET 26 54.708 4.972 -4.896 249 1HE MET 26 HE3 MET 26 55.413 4.439 -6.712 250 2HE MET 26 HE2 MET 26 56.121 2.826 -6.674 251 3HE MET 26 HE1 MET 26 54.885 3.209 -7.870 252 H PHE 27 HN PHE 27 51.763 3.768 -0.580 253 HA PHE 27 HA PHE 27 49.433 2.616 -1.976 254 1HB PHE 27 HB2 PHE 27 50.701 2.166 0.723 255 2HB PHE 27 HB1 PHE 27 49.127 1.481 0.325 256 HD1 PHE 27 HD1 PHE 27 52.454 1.893 -1.389 257 HD2 PHE 27 HD2 PHE 27 49.177 -0.713 -0.432 258 HE1 PHE 27 HE1 PHE 27 53.572 0.053 -2.596 259 HE2 PHE 27 HE2 PHE 27 50.299 -2.561 -1.645 260 HZ PHE 27 HZ PHE 27 52.496 -2.179 -2.730 261 H LEU 28 HN LEU 28 50.065 5.239 0.221 262 HA LEU 28 HA LEU 28 47.255 5.320 1.108 263 1HB LEU 28 HB2 LEU 28 49.648 7.044 1.763 264 2HB LEU 28 HB1 LEU 28 48.030 7.356 2.389 265 HG LEU 28 HG LEU 28 49.627 4.803 2.790 266 1HD1 LEU 28 HD11 LEU 28 50.342 6.873 4.070 267 2HD1 LEU 28 HD13 LEU 28 48.753 6.857 4.834 268 3HD1 LEU 28 HD12 LEU 28 49.861 5.504 5.072 269 1HD2 LEU 28 HD22 LEU 28 46.784 5.540 3.273 270 2HD2 LEU 28 HD21 LEU 28 47.500 3.956 2.980 271 3HD2 LEU 28 HD23 LEU 28 47.593 4.682 4.585 272 H LYS 29 HN LYS 29 48.660 6.227 -1.711 273 HA LYS 29 HA LYS 29 47.148 8.786 -1.914 274 1HB LYS 29 HB2 LYS 29 48.360 9.160 -4.003 275 2HB LYS 29 HB1 LYS 29 49.518 8.749 -2.741 276 1HG LYS 29 HG2 LYS 29 49.289 6.312 -3.587 277 2HG LYS 29 HG1 LYS 29 48.529 7.018 -5.013 278 1HD LYS 29 HD2 LYS 29 51.249 7.854 -3.966 279 2HD LYS 29 HD1 LYS 29 51.012 6.673 -5.255 280 1HE LYS 29 HE2 LYS 29 49.879 8.336 -6.631 281 2HE LYS 29 HE1 LYS 29 49.963 9.518 -5.324 282 1HZ LYS 29 HZ2 LYS 29 52.408 8.253 -6.388 283 2HZ LYS 29 HZ1 LYS 29 51.727 9.608 -7.153 284 3HZ LYS 29 HZ3 LYS 29 52.248 9.718 -5.542 285 H CYS 30 HN CYS 30 47.433 5.556 -3.245 286 HA CYS 30 HA CYS 30 44.654 5.742 -4.238 287 1HB CYS 30 HB2 CYS 30 47.111 5.213 -5.851 288 2HB CYS 30 HB1 CYS 30 45.688 4.235 -6.208 289 HG CYS 30 HG CYS 30 45.784 6.635 -7.532 290 HA PRO 31 HA PRO 31 45.032 1.783 -2.093 291 1HB PRO 31 HB2 PRO 31 42.359 1.216 -1.981 292 2HB PRO 31 HB1 PRO 31 43.132 2.394 -0.905 293 1HG PRO 31 HG2 PRO 31 41.324 2.872 -3.211 294 2HG PRO 31 HG1 PRO 31 41.668 3.916 -1.823 295 1HD PRO 31 HD2 PRO 31 42.756 4.138 -4.467 296 2HD PRO 31 HD1 PRO 31 43.202 5.101 -3.042 297 H LYS 32 HN LYS 32 45.173 1.949 -5.134 298 HA LYS 32 HA LYS 32 43.792 -0.611 -5.717 299 1HB LYS 32 HB2 LYS 32 43.694 0.221 -8.104 300 2HB LYS 32 HB1 LYS 32 42.695 1.116 -6.960 301 1HG LYS 32 HG2 LYS 32 44.374 2.871 -6.789 302 2HG LYS 32 HG1 LYS 32 45.486 1.955 -7.806 303 1HD LYS 32 HD2 LYS 32 44.566 3.337 -9.411 304 2HD LYS 32 HD1 LYS 32 43.407 2.009 -9.483 305 1HE LYS 32 HE2 LYS 32 41.931 3.196 -7.911 306 2HE LYS 32 HE1 LYS 32 43.095 4.516 -7.804 307 1HZ LYS 32 HZ2 LYS 32 42.840 4.527 -10.369 308 2HZ LYS 32 HZ1 LYS 32 41.367 3.742 -10.051 309 3HZ LYS 32 HZ3 LYS 32 41.664 5.280 -9.403 310 HA PRO 33 HA PRO 33 48.396 -0.839 -6.866 311 1HB PRO 33 HB2 PRO 33 49.390 -2.301 -4.768 312 2HB PRO 33 HB1 PRO 33 49.416 -0.530 -4.816 313 1HG PRO 33 HG2 PRO 33 47.642 -2.342 -3.245 314 2HG PRO 33 HG1 PRO 33 48.182 -0.696 -2.872 315 1HD PRO 33 HD2 PRO 33 45.639 -1.383 -3.884 316 2HD PRO 33 HD1 PRO 33 46.360 0.241 -3.877 317 H SER 34 HN SER 34 49.143 -2.725 -7.919 318 HA SER 34 HA SER 34 47.299 -5.022 -7.912 319 1HB SER 34 HB2 SER 34 49.720 -4.513 -9.641 320 2HB SER 34 HB1 SER 34 48.467 -5.719 -9.916 321 HG SER 34 HG SER 34 48.103 -3.843 -11.153 322 H LEU 35 HN LEU 35 47.987 -7.173 -7.455 323 HA LEU 35 HA LEU 35 49.989 -7.428 -5.419 324 1HB LEU 35 HB2 LEU 35 49.572 -9.767 -5.463 325 2HB LEU 35 HB1 LEU 35 48.032 -9.042 -5.901 326 HG LEU 35 HG LEU 35 50.039 -10.018 -7.948 327 1HD1 LEU 35 HD12 LEU 35 47.952 -11.456 -6.378 328 2HD1 LEU 35 HD11 LEU 35 48.096 -11.854 -8.090 329 3HD1 LEU 35 HD13 LEU 35 49.484 -12.051 -7.019 330 1HD2 LEU 35 HD21 LEU 35 47.154 -9.120 -8.008 331 2HD2 LEU 35 HD23 LEU 35 48.508 -8.500 -8.952 332 3HD2 LEU 35 HD22 LEU 35 47.845 -10.095 -9.306 333 H GLN 36 HN GLN 36 50.124 -7.286 -8.879 334 HA GLN 36 HA GLN 36 52.708 -8.571 -9.230 335 1HB GLN 36 HB2 GLN 36 51.061 -8.086 -11.101 336 2HB GLN 36 HB1 GLN 36 51.461 -6.377 -10.925 337 1HG GLN 36 HG2 GLN 36 52.820 -7.326 -12.710 338 2HG GLN 36 HG1 GLN 36 53.862 -6.941 -11.339 339 1HE2 GLN 36 HE22 GLN 36 54.968 -10.261 -11.031 340 2HE2 GLN 36 HE21 GLN 36 55.235 -8.613 -10.721 341 H GLN 37 HN GLN 37 51.534 -5.278 -8.679 342 HA GLN 37 HA GLN 37 54.120 -4.019 -8.648 343 1HB GLN 37 HB2 GLN 37 51.920 -2.783 -8.817 344 2HB GLN 37 HB1 GLN 37 51.654 -3.148 -7.112 345 1HG GLN 37 HG2 GLN 37 52.781 -1.220 -6.691 346 2HG GLN 37 HG1 GLN 37 54.233 -2.130 -7.105 347 1HE2 GLN 37 HE22 GLN 37 53.233 0.950 -9.415 348 2HE2 GLN 37 HE21 GLN 37 52.646 0.705 -7.841 349 H ILE 38 HN ILE 38 52.358 -6.004 -6.349 350 HA ILE 38 HA ILE 38 53.829 -5.141 -4.021 351 HB ILE 38 HB ILE 38 52.185 -7.622 -4.609 352 1HG1 ILE 38 HG12 ILE 38 50.970 -5.525 -4.176 353 2HG1 ILE 38 HG11 ILE 38 50.749 -6.638 -2.827 354 1HG2 ILE 38 HG23 ILE 38 54.131 -7.151 -2.400 355 2HG2 ILE 38 HG22 ILE 38 52.543 -7.731 -1.901 356 3HG2 ILE 38 HG21 ILE 38 53.506 -8.672 -3.039 357 1HD1 ILE 38 HD12 ILE 38 52.804 -5.417 -1.777 358 2HD1 ILE 38 HD11 ILE 38 52.464 -4.156 -2.960 359 3HD1 ILE 38 HD13 ILE 38 51.248 -4.588 -1.759 360 H THR 39 HN THR 39 54.301 -7.505 -6.565 361 HA THR 39 HA THR 39 56.606 -8.824 -5.444 362 HB THR 39 HB THR 39 55.977 -8.354 -8.379 363 HG1 THR 39 HG1 THR 39 54.623 -9.998 -8.246 364 1HG2 THR 39 HG22 THR 39 58.270 -9.296 -7.469 365 2HG2 THR 39 HG21 THR 39 57.334 -10.775 -7.251 366 3HG2 THR 39 HG23 THR 39 57.485 -10.055 -8.854 367 H HIS 40 HN HIS 40 56.203 -6.097 -7.677 368 HA HIS 40 HA HIS 40 59.016 -5.419 -7.795 369 1HB HIS 40 HB2 HIS 40 56.453 -4.165 -8.658 370 2HB HIS 40 HB1 HIS 40 57.836 -3.091 -8.443 371 HD1 HIS 40 HD1 HIS 40 57.901 -6.668 -9.727 372 HD2 HIS 40 HD2 HIS 40 58.677 -2.803 -11.086 373 HE1 HIS 40 HE1 HIS 40 58.921 -6.911 -12.031 374 H ILE 41 HN ILE 41 56.591 -4.978 -5.400 375 HA ILE 41 HA ILE 41 57.656 -2.587 -4.172 376 HB ILE 41 HB ILE 41 55.470 -4.407 -3.770 377 1HG1 ILE 41 HG12 ILE 41 54.889 -2.400 -2.085 378 2HG1 ILE 41 HG11 ILE 41 56.218 -1.640 -2.963 379 1HG2 ILE 41 HG21 ILE 41 57.065 -3.887 -1.262 380 2HG2 ILE 41 HG23 ILE 41 55.368 -4.367 -1.266 381 3HG2 ILE 41 HG22 ILE 41 56.593 -5.453 -1.921 382 1HD1 ILE 41 HD13 ILE 41 55.082 -2.154 -5.108 383 2HD1 ILE 41 HD12 ILE 41 53.747 -2.883 -4.215 384 3HD1 ILE 41 HD11 ILE 41 54.070 -1.157 -4.066 385 H ALA 42 HN ALA 42 58.010 -6.071 -3.770 386 HA ALA 42 HA ALA 42 59.820 -6.081 -1.590 387 1HB ALA 42 HB1 ALA 42 58.585 -8.071 -2.550 388 2HB ALA 42 HB3 ALA 42 59.754 -8.068 -3.871 389 3HB ALA 42 HB2 ALA 42 60.293 -8.362 -2.216 390 H ASN 43 HN ASN 43 60.491 -6.283 -5.089 391 HA ASN 43 HA ASN 43 63.335 -6.029 -4.824 392 1HB ASN 43 HB2 ASN 43 61.920 -6.670 -6.917 393 2HB ASN 43 HB1 ASN 43 61.790 -4.930 -7.169 394 1HD2 ASN 43 HD22 ASN 43 64.956 -4.803 -8.680 395 2HD2 ASN 43 HD21 ASN 43 63.375 -4.193 -8.580 396 H GLN 44 HN GLN 44 60.718 -3.789 -4.518 397 HA GLN 44 HA GLN 44 62.163 -1.361 -5.057 398 1HB GLN 44 HB2 GLN 44 59.501 -2.160 -4.349 399 2HB GLN 44 HB1 GLN 44 59.993 -0.825 -3.326 400 1HG GLN 44 HG2 GLN 44 58.870 -0.061 -5.405 401 2HG GLN 44 HG1 GLN 44 60.529 0.519 -5.305 402 1HE2 GLN 44 HE22 GLN 44 59.419 -1.782 -8.418 403 2HE2 GLN 44 HE21 GLN 44 58.310 -1.177 -7.285 404 H LEU 45 HN LEU 45 61.631 -3.289 -2.137 405 HA LEU 45 HA LEU 45 63.528 -1.438 -0.776 406 1HB LEU 45 HB2 LEU 45 62.271 -1.384 1.224 407 2HB LEU 45 HB1 LEU 45 61.094 -1.155 -0.053 408 HG LEU 45 HG LEU 45 61.645 -3.894 1.084 409 1HD1 LEU 45 HD11 LEU 45 60.650 -1.747 2.583 410 2HD1 LEU 45 HD13 LEU 45 59.209 -2.616 2.054 411 3HD1 LEU 45 HD12 LEU 45 60.466 -3.459 2.957 412 1HD2 LEU 45 HD23 LEU 45 59.675 -2.576 -0.716 413 2HD2 LEU 45 HD22 LEU 45 60.363 -4.198 -0.791 414 3HD2 LEU 45 HD21 LEU 45 59.069 -3.842 0.352 415 H GLY 46 HN GLY 46 63.764 -4.154 -2.106 416 1HA GLY 46 HA2 GLY 46 64.834 -6.205 -1.731 417 2HA GLY 46 HA1 GLY 46 65.872 -5.229 -0.707 418 H LEU 47 HN LEU 47 62.472 -5.783 0.118 419 HA LEU 47 HA LEU 47 63.446 -7.305 2.490 420 1HB LEU 47 HB2 LEU 47 61.698 -6.490 3.741 421 2HB LEU 47 HB1 LEU 47 61.772 -5.201 2.559 422 HG LEU 47 HG LEU 47 59.874 -7.547 2.556 423 1HD1 LEU 47 HD12 LEU 47 59.678 -5.254 3.990 424 2HD1 LEU 47 HD11 LEU 47 58.911 -4.749 2.485 425 3HD1 LEU 47 HD13 LEU 47 58.278 -6.133 3.374 426 1HD2 LEU 47 HD23 LEU 47 60.682 -5.700 0.434 427 2HD2 LEU 47 HD22 LEU 47 59.911 -7.270 0.315 428 3HD2 LEU 47 HD21 LEU 47 58.945 -5.834 0.648 429 H GLU 48 HN GLU 48 61.587 -8.917 3.268 430 HA GLU 48 HA GLU 48 61.282 -10.860 1.068 431 1HB GLU 48 HB2 GLU 48 62.133 -11.415 3.453 432 2HB GLU 48 HB1 GLU 48 60.445 -11.265 3.943 433 1HG GLU 48 HG2 GLU 48 59.771 -13.096 2.649 434 2HG GLU 48 HG1 GLU 48 61.179 -12.990 1.592 435 H LYS 49 HN LYS 49 59.243 -11.545 0.355 436 HA LYS 49 HA LYS 49 57.097 -9.708 0.347 437 1HB LYS 49 HB2 LYS 49 57.609 -11.898 -1.078 438 2HB LYS 49 HB1 LYS 49 56.487 -12.618 0.077 439 1HG LYS 49 HG2 LYS 49 55.661 -10.013 -1.084 440 2HG LYS 49 HG1 LYS 49 55.677 -11.383 -2.194 441 1HD LYS 49 HD2 LYS 49 54.486 -12.459 0.061 442 2HD LYS 49 HD1 LYS 49 53.860 -10.810 0.047 443 1HE LYS 49 HE2 LYS 49 53.270 -11.157 -2.391 444 2HE LYS 49 HE1 LYS 49 53.682 -12.859 -2.177 445 1HZ LYS 49 HZ3 LYS 49 51.804 -11.563 -0.319 446 2HZ LYS 49 HZ2 LYS 49 51.255 -12.084 -1.841 447 3HZ LYS 49 HZ1 LYS 49 51.929 -13.198 -0.750 448 H ASP 50 HN ASP 50 57.984 -12.023 2.786 449 HA ASP 50 HA ASP 50 55.358 -12.250 3.986 450 1HB ASP 50 HB2 ASP 50 58.098 -13.180 4.567 451 2HB ASP 50 HB1 ASP 50 57.127 -12.860 6.004 452 H VAL 51 HN VAL 51 58.189 -10.118 4.559 453 HA VAL 51 HA VAL 51 56.865 -8.910 6.885 454 HB VAL 51 HB VAL 51 59.336 -9.043 6.766 455 1HG1 VAL 51 HG12 VAL 51 58.850 -7.873 4.153 456 2HG1 VAL 51 HG11 VAL 51 60.013 -6.913 5.063 457 3HG1 VAL 51 HG13 VAL 51 60.313 -8.627 4.779 458 1HG2 VAL 51 HG22 VAL 51 58.067 -6.295 6.810 459 2HG2 VAL 51 HG21 VAL 51 58.480 -7.320 8.184 460 3HG2 VAL 51 HG23 VAL 51 59.758 -6.563 7.234 461 H VAL 52 HN VAL 52 56.982 -8.397 3.444 462 HA VAL 52 HA VAL 52 56.081 -5.652 3.533 463 HB VAL 52 HB VAL 52 57.233 -7.127 1.591 464 1HG1 VAL 52 HG12 VAL 52 55.020 -8.455 1.378 465 2HG1 VAL 52 HG11 VAL 52 54.410 -7.015 0.565 466 3HG1 VAL 52 HG13 VAL 52 55.797 -7.880 -0.097 467 1HG2 VAL 52 HG21 VAL 52 56.424 -4.574 1.873 468 2HG2 VAL 52 HG23 VAL 52 57.093 -5.209 0.373 469 3HG2 VAL 52 HG22 VAL 52 55.346 -5.079 0.573 470 NH1 ARG 53 NH2 ARG 53 49.707 -13.603 2.027 471 NH2 ARG 53 NH1 ARG 53 48.379 -13.379 3.841 472 H ARG 53 HN ARG 53 54.524 -8.813 3.417 473 HA ARG 53 HA ARG 53 51.865 -7.746 2.916 474 1HB ARG 53 HB2 ARG 53 52.672 -10.119 2.422 475 2HB ARG 53 HB1 ARG 53 52.521 -10.425 4.151 476 1HG ARG 53 HG2 ARG 53 50.122 -9.120 3.237 477 2HG ARG 53 HG1 ARG 53 50.461 -10.487 2.179 478 1HD ARG 53 HD2 ARG 53 50.637 -10.813 5.164 479 2HD ARG 53 HD1 ARG 53 49.074 -10.896 4.353 480 HE ARG 53 HE ARG 53 51.312 -12.811 3.982 481 1HH1 ARG 53 HH21 ARG 53 50.570 -13.417 1.557 482 2HH1 ARG 53 HH22 ARG 53 49.000 -14.148 1.577 483 1HH2 ARG 53 HH11 ARG 53 48.223 -13.021 4.762 484 2HH2 ARG 53 HH12 ARG 53 47.671 -13.924 3.391 485 H VAL 54 HN VAL 54 53.563 -8.938 5.831 486 HA VAL 54 HA VAL 54 51.398 -8.600 7.654 487 HB VAL 54 HB VAL 54 54.332 -8.175 8.290 488 1HG1 VAL 54 HG11 VAL 54 51.923 -9.057 9.903 489 2HG1 VAL 54 HG13 VAL 54 53.584 -9.188 10.483 490 3HG1 VAL 54 HG12 VAL 54 52.894 -7.603 10.136 491 1HG2 VAL 54 HG22 VAL 54 53.189 -10.457 7.103 492 2HG2 VAL 54 HG21 VAL 54 54.742 -10.368 7.930 493 3HG2 VAL 54 HG23 VAL 54 53.298 -10.851 8.817 494 CH2 TRP 55 CH2 TRP 55 54.047 1.034 4.394 495 H TRP 55 HN TRP 55 53.979 -6.286 6.733 496 HA TRP 55 HA TRP 55 52.936 -4.200 8.432 497 1HB TRP 55 HB2 TRP 55 55.249 -4.073 7.649 498 2HB TRP 55 HB1 TRP 55 54.708 -4.017 5.972 499 HD1 TRP 55 HD1 TRP 55 54.243 -1.933 9.236 500 HE1 TRP 55 HE1 TRP 55 53.989 0.518 8.573 501 HE3 TRP 55 HE3 TRP 55 54.368 -2.338 4.110 502 HZ2 TRP 55 HZ2 TRP 55 53.914 2.127 6.240 503 HZ3 TRP 55 HZ3 TRP 55 54.195 -0.315 2.733 504 HH2 TRP 55 HH2 TRP 55 53.970 1.908 3.779 505 H PHE 56 HN PHE 56 52.306 -5.178 5.064 506 HA PHE 56 HA PHE 56 50.608 -2.840 4.645 507 1HB PHE 56 HB2 PHE 56 51.572 -5.044 2.945 508 2HB PHE 56 HB1 PHE 56 49.934 -4.510 2.577 509 HD1 PHE 56 HD1 PHE 56 49.788 -1.735 2.981 510 HD2 PHE 56 HD2 PHE 56 53.167 -3.995 1.584 511 HE1 PHE 56 HE1 PHE 56 50.707 0.299 1.917 512 HE2 PHE 56 HE2 PHE 56 54.080 -1.953 0.514 513 HZ PHE 56 HZ PHE 56 52.856 0.192 0.705 514 H CYS 57 HN CYS 57 50.127 -5.651 6.364 515 HA CYS 57 HA CYS 57 47.300 -5.998 5.650 516 1HB CYS 57 HB2 CYS 57 48.990 -7.731 6.790 517 2HB CYS 57 HB1 CYS 57 48.443 -6.938 8.266 518 HG CYS 57 HG CYS 57 45.923 -7.521 7.175 519 H ASN 58 HN ASN 58 49.309 -4.457 8.087 520 HA ASN 58 HA ASN 58 46.978 -3.235 9.424 521 1HB ASN 58 HB2 ASN 58 49.773 -3.706 10.059 522 2HB ASN 58 HB1 ASN 58 49.370 -2.010 10.320 523 1HD2 ASN 58 HD22 ASN 58 47.060 -4.706 12.412 524 2HD2 ASN 58 HD21 ASN 58 47.434 -5.028 10.788 525 NH1 ARG 59 NH1 ARG 59 51.587 3.358 7.815 526 NH2 ARG 59 NH2 ARG 59 49.718 4.366 8.588 527 H ARG 59 HN ARG 59 49.180 -2.503 6.819 528 HA ARG 59 HA ARG 59 48.698 0.394 7.005 529 1HB ARG 59 HB2 ARG 59 50.701 -1.197 5.702 530 2HB ARG 59 HB1 ARG 59 49.854 -0.298 4.447 531 1HG ARG 59 HG2 ARG 59 51.234 0.832 6.907 532 2HG ARG 59 HG1 ARG 59 51.683 1.052 5.220 533 1HD ARG 59 HD2 ARG 59 50.492 2.976 5.325 534 2HD ARG 59 HD1 ARG 59 49.073 1.937 5.229 535 HE ARG 59 HE ARG 59 48.713 2.267 7.569 536 1HH1 ARG 59 HH11 ARG 59 52.025 2.651 7.262 537 2HH1 ARG 59 HH12 ARG 59 52.146 4.002 8.336 538 1HH2 ARG 59 HH21 ARG 59 48.720 4.430 8.626 539 2HH2 ARG 59 HH22 ARG 59 50.281 5.007 9.108 540 NH1 ARG 60 NH1 ARG 60 43.179 -6.745 3.223 541 NH2 ARG 60 NH2 ARG 60 44.198 -7.263 1.272 542 H ARG 60 HN ARG 60 47.278 -2.379 5.490 543 HA ARG 60 HA ARG 60 45.836 -0.733 3.502 544 1HB ARG 60 HB2 ARG 60 44.872 -2.848 2.731 545 2HB ARG 60 HB1 ARG 60 46.618 -3.026 2.888 546 1HG ARG 60 HG2 ARG 60 46.162 -3.966 5.231 547 2HG ARG 60 HG1 ARG 60 44.471 -4.057 4.753 548 1HD ARG 60 HD2 ARG 60 46.799 -5.411 3.360 549 2HD ARG 60 HD1 ARG 60 45.556 -6.206 4.327 550 HE ARG 60 HE ARG 60 44.914 -4.770 1.782 551 1HH1 ARG 60 HH11 ARG 60 43.095 -6.154 4.026 552 2HH1 ARG 60 HH12 ARG 60 42.566 -7.527 3.113 553 1HH2 ARG 60 HH21 ARG 60 44.895 -7.070 0.581 554 2HH2 ARG 60 HH22 ARG 60 43.587 -8.046 1.160 555 H GLN 61 HN GLN 61 45.373 -2.232 6.625 556 HA GLN 61 HA GLN 61 42.701 -0.936 6.809 557 1HB GLN 61 HB2 GLN 61 42.340 -3.335 6.324 558 2HB GLN 61 HB1 GLN 61 43.369 -3.769 7.686 559 1HG GLN 61 HG2 GLN 61 41.642 -3.576 9.109 560 2HG GLN 61 HG1 GLN 61 41.349 -1.918 8.587 561 1HE2 GLN 61 HE22 GLN 61 39.418 -4.775 6.340 562 2HE2 GLN 61 HE21 GLN 61 41.056 -4.992 6.728 563 H LYS 62 HN LYS 62 44.438 0.546 7.875 564 HA LYS 62 HA LYS 62 45.422 -0.302 10.493 565 1HB LYS 62 HB2 LYS 62 46.161 2.077 10.677 566 2HB LYS 62 HB1 LYS 62 46.727 1.296 9.201 567 1HG LYS 62 HG2 LYS 62 45.354 2.552 7.845 568 2HG LYS 62 HG1 LYS 62 44.097 2.693 9.075 569 1HD LYS 62 HD2 LYS 62 45.287 4.391 10.247 570 2HD LYS 62 HD1 LYS 62 46.773 4.071 9.352 571 1HE LYS 62 HE2 LYS 62 44.268 4.954 7.925 572 2HE LYS 62 HE1 LYS 62 45.358 6.132 8.655 573 1HZ LYS 62 HZ1 LYS 62 47.179 5.115 7.367 574 2HZ LYS 62 HZ3 LYS 62 46.049 4.115 6.590 575 3HZ LYS 62 HZ2 LYS 62 45.974 5.800 6.384 576 H GLY 63 HN GLY 63 42.478 1.063 9.309 577 1HA GLY 63 HA2 GLY 63 41.722 2.519 11.685 578 2HA GLY 63 HA1 GLY 63 40.631 2.006 10.401 579 H LYS 64 HN LYS 64 42.057 -0.824 11.182 580 HA LYS 64 HA LYS 64 39.860 -1.517 13.046 581 1HB LYS 64 HB2 LYS 64 41.088 -2.822 10.847 582 2HB LYS 64 HB1 LYS 64 41.492 -3.775 12.271 583 1HG LYS 64 HG2 LYS 64 38.797 -3.149 12.639 584 2HG LYS 64 HG1 LYS 64 38.920 -3.465 10.910 585 1HD LYS 64 HD2 LYS 64 39.957 -5.314 13.081 586 2HD LYS 64 HD1 LYS 64 38.434 -5.530 12.219 587 1HE LYS 64 HE2 LYS 64 39.523 -5.947 10.160 588 2HE LYS 64 HE1 LYS 64 41.048 -5.271 10.734 589 1HZ LYS 64 HZ1 LYS 64 41.014 -7.133 12.424 590 2HZ LYS 64 HZ3 LYS 64 39.786 -7.839 11.490 591 3HZ LYS 64 HZ2 LYS 64 41.323 -7.578 10.814 592 NH1 ARG 65 NH2 ARG 65 48.137 -4.299 16.477 593 NH2 ARG 65 NH1 ARG 65 46.945 -6.183 16.850 594 H ARG 65 HN ARG 65 42.212 -0.022 13.999 595 HA ARG 65 HA ARG 65 43.105 -1.986 16.059 596 1HB ARG 65 HB2 ARG 65 44.803 -0.285 14.273 597 2HB ARG 65 HB1 ARG 65 45.333 -0.541 15.936 598 1HG ARG 65 HG2 ARG 65 44.498 -2.837 14.159 599 2HG ARG 65 HG1 ARG 65 46.158 -2.242 14.196 600 1HD ARG 65 HD2 ARG 65 46.230 -2.619 16.642 601 2HD ARG 65 HD1 ARG 65 44.585 -3.249 16.586 602 HE ARG 65 HE ARG 65 45.627 -4.988 14.936 603 1HH1 ARG 65 HH21 ARG 65 48.208 -3.383 16.082 604 2HH1 ARG 65 HH22 ARG 65 48.907 -4.686 16.984 605 1HH2 ARG 65 HH11 ARG 65 46.104 -6.711 16.740 606 2HH2 ARG 65 HH12 ARG 65 47.716 -6.570 17.357 607 H SER 66 HN SER 66 42.924 1.457 15.136 608 HA SER 66 HA SER 66 42.814 2.186 18.018 609 1HB SER 66 HB2 SER 66 43.262 3.763 15.483 610 2HB SER 66 HB1 SER 66 42.875 4.562 17.003 611 HG SER 66 HG SER 66 45.138 3.084 16.257 612 H SER 67 HN SER 67 40.608 1.118 18.039 613 HA SER 67 HA SER 67 38.525 3.019 17.032 614 1HB SER 67 HB2 SER 67 38.683 0.047 17.001 615 2HB SER 67 HB1 SER 67 37.109 0.753 17.362 616 HG SER 67 HG SER 67 37.288 0.568 15.151 Start of MODEL 4 Raw file had 616 H/Q atoms Start of MODEL 4 1 1H MET 1 HT1 MET 1 31.650 9.019 15.181 2 2H MET 1 HT3 MET 1 31.347 9.950 16.566 3 3H MET 1 HT2 MET 1 31.219 10.656 15.026 4 HA MET 1 HA MET 1 33.259 11.421 15.775 5 1HB MET 1 HB2 MET 1 34.913 9.850 16.821 6 2HB MET 1 HB1 MET 1 33.438 10.042 17.769 7 1HG MET 1 HG2 MET 1 32.607 7.931 17.128 8 2HG MET 1 HG1 MET 1 33.695 7.823 15.745 9 1HE MET 1 HE2 MET 1 32.753 6.157 18.250 10 2HE MET 1 HE1 MET 1 33.913 5.090 17.464 11 3HE MET 1 HE3 MET 1 34.084 5.475 19.182 12 H GLU 2 HN GLU 2 35.529 10.914 14.851 13 HA GLU 2 HA GLU 2 36.821 10.454 12.954 14 1HB GLU 2 HB2 GLU 2 35.075 7.976 13.006 15 2HB GLU 2 HB1 GLU 2 36.451 8.183 11.924 16 1HG GLU 2 HG2 GLU 2 36.881 8.689 14.838 17 2HG GLU 2 HG1 GLU 2 36.732 7.014 14.304 18 H THR 3 HN THR 3 34.692 12.214 12.536 19 HA THR 3 HA THR 3 33.450 11.378 9.966 20 HB THR 3 HB THR 3 32.474 13.874 10.400 21 HG1 THR 3 HG1 THR 3 32.132 14.037 12.656 22 1HG2 THR 3 HG21 THR 3 31.177 11.789 10.077 23 2HG2 THR 3 HG23 THR 3 31.489 11.349 11.757 24 3HG2 THR 3 HG22 THR 3 30.517 12.773 11.384 25 H LEU 4 HN LEU 4 34.747 14.504 11.110 26 HA LEU 4 HA LEU 4 36.362 14.632 8.597 27 1HB LEU 4 HB2 LEU 4 34.166 16.196 9.070 28 2HB LEU 4 HB1 LEU 4 35.447 17.206 9.741 29 HG LEU 4 HG LEU 4 35.786 15.926 7.037 30 1HD1 LEU 4 HD11 LEU 4 33.603 17.448 7.469 31 2HD1 LEU 4 HD13 LEU 4 34.787 18.726 7.188 32 3HD1 LEU 4 HD12 LEU 4 34.508 17.496 5.955 33 1HD2 LEU 4 HD23 LEU 4 37.726 16.986 8.145 34 2HD2 LEU 4 HD22 LEU 4 37.253 17.887 6.706 35 3HD2 LEU 4 HD21 LEU 4 36.813 18.487 8.306 36 H VAL 5 HN VAL 5 37.284 13.702 11.146 37 HA VAL 5 HA VAL 5 39.368 15.754 11.651 38 HB VAL 5 HB VAL 5 37.642 16.113 13.375 39 1HG1 VAL 5 HG11 VAL 5 37.988 13.150 13.749 40 2HG1 VAL 5 HG13 VAL 5 37.495 14.156 15.110 41 3HG1 VAL 5 HG12 VAL 5 36.504 14.096 13.654 42 1HG2 VAL 5 HG23 VAL 5 40.289 15.996 13.791 43 2HG2 VAL 5 HG22 VAL 5 39.155 16.344 15.096 44 3HG2 VAL 5 HG21 VAL 5 39.794 14.713 14.895 45 H GLN 6 HN GLN 6 39.799 13.541 10.128 46 HA GLN 6 HA GLN 6 41.241 11.657 11.955 47 1HB GLN 6 HB2 GLN 6 39.295 10.869 10.347 48 2HB GLN 6 HB1 GLN 6 40.558 10.942 9.120 49 1HG GLN 6 HG2 GLN 6 41.386 9.613 11.623 50 2HG GLN 6 HG1 GLN 6 40.099 8.780 10.753 51 1HE2 GLN 6 HE22 GLN 6 43.824 8.402 9.405 52 2HE2 GLN 6 HE21 GLN 6 43.422 8.929 10.967 53 H ALA 7 HN ALA 7 41.449 12.608 8.501 54 HA ALA 7 HA ALA 7 44.337 12.354 8.520 55 1HB ALA 7 HB1 ALA 7 42.290 13.249 6.506 56 2HB ALA 7 HB3 ALA 7 44.005 13.532 6.206 57 3HB ALA 7 HB2 ALA 7 43.407 11.886 6.418 58 NH1 ARG 8 NH2 ARG 8 45.116 13.415 14.423 59 NH2 ARG 8 NH1 ARG 8 43.046 12.919 15.184 60 H ARG 8 HN ARG 8 44.934 13.876 10.196 61 HA ARG 8 HA ARG 8 44.320 16.712 9.719 62 1HB ARG 8 HB2 ARG 8 45.427 15.129 12.000 63 2HB ARG 8 HB1 ARG 8 45.797 16.852 11.910 64 1HG ARG 8 HG2 ARG 8 43.582 17.485 12.179 65 2HG ARG 8 HG1 ARG 8 42.962 15.980 11.500 66 1HD ARG 8 HD2 ARG 8 44.462 16.014 14.117 67 2HD ARG 8 HD1 ARG 8 42.726 16.316 14.051 68 HE ARG 8 HE ARG 8 42.752 14.009 12.744 69 1HH1 ARG 8 HH21 ARG 8 45.710 13.911 13.791 70 2HH1 ARG 8 HH22 ARG 8 45.514 12.801 15.105 71 1HH2 ARG 8 HH11 ARG 8 42.054 13.036 15.134 72 2HH2 ARG 8 HH12 ARG 8 43.443 12.305 15.866 73 H LYS 9 HN LYS 9 47.245 14.702 10.211 74 HA LYS 9 HA LYS 9 48.672 16.387 8.277 75 1HB LYS 9 HB2 LYS 9 50.575 16.744 9.850 76 2HB LYS 9 HB1 LYS 9 49.100 17.552 10.378 77 1HG LYS 9 HG2 LYS 9 48.901 15.009 11.512 78 2HG LYS 9 HG1 LYS 9 50.610 15.409 11.675 79 1HD LYS 9 HD2 LYS 9 49.284 17.778 12.368 80 2HD LYS 9 HD1 LYS 9 48.309 16.506 13.100 81 1HE LYS 9 HE2 LYS 9 49.892 16.045 14.650 82 2HE LYS 9 HE1 LYS 9 51.186 16.061 13.453 83 1HZ LYS 9 HZ2 LYS 9 49.917 18.470 14.639 84 2HZ LYS 9 HZ1 LYS 9 51.430 17.838 15.084 85 3HZ LYS 9 HZ3 LYS 9 51.198 18.462 13.524 86 NH1 ARG 10 NH2 ARG 10 49.407 10.751 13.750 87 NH2 ARG 10 NH1 ARG 10 50.867 9.035 13.573 88 H ARG 10 HN ARG 10 47.815 13.672 8.154 89 HA ARG 10 HA ARG 10 50.386 12.398 7.626 90 1HB ARG 10 HB2 ARG 10 48.511 11.431 9.777 91 2HB ARG 10 HB1 ARG 10 49.565 10.303 8.924 92 1HG ARG 10 HG2 ARG 10 51.408 12.136 9.502 93 2HG ARG 10 HG1 ARG 10 50.282 12.514 10.806 94 1HD ARG 10 HD2 ARG 10 51.474 9.788 10.218 95 2HD ARG 10 HD1 ARG 10 51.911 10.841 11.563 96 HE ARG 10 HE ARG 10 49.186 9.636 11.265 97 1HH1 ARG 10 HH21 ARG 10 48.811 11.429 13.320 98 2HH1 ARG 10 HH22 ARG 10 49.480 10.710 14.746 99 1HH2 ARG 10 HH11 ARG 10 51.391 8.399 13.007 100 2HH2 ARG 10 HH12 ARG 10 50.940 8.995 14.569 101 H LYS 11 HN LYS 11 49.339 12.703 5.480 102 HA LYS 11 HA LYS 11 47.016 11.000 4.920 103 1HB LYS 11 HB2 LYS 11 47.514 13.368 3.923 104 2HB LYS 11 HB1 LYS 11 48.568 12.484 2.818 105 1HG LYS 11 HG2 LYS 11 46.801 11.328 1.837 106 2HG LYS 11 HG1 LYS 11 45.770 11.497 3.258 107 1HD LYS 11 HD2 LYS 11 44.767 13.114 1.987 108 2HD LYS 11 HD1 LYS 11 46.085 14.108 2.608 109 1HE LYS 11 HE2 LYS 11 47.436 13.558 0.612 110 2HE LYS 11 HE1 LYS 11 46.107 12.583 -0.015 111 1HZ LYS 11 HZ3 LYS 11 45.664 15.398 0.730 112 2HZ LYS 11 HZ2 LYS 11 46.341 15.012 -0.780 113 3HZ LYS 11 HZ1 LYS 11 44.798 14.434 -0.363 114 NH1 ARG 12 NH2 ARG 12 53.160 11.541 2.695 115 NH2 ARG 12 NH1 ARG 12 53.609 12.856 4.480 116 H ARG 12 HN ARG 12 48.645 9.191 5.676 117 HA ARG 12 HA ARG 12 49.891 8.067 3.206 118 1HB ARG 12 HB2 ARG 12 50.994 8.071 6.029 119 2HB ARG 12 HB1 ARG 12 51.615 7.029 4.749 120 1HG ARG 12 HG2 ARG 12 53.024 8.829 4.455 121 2HG ARG 12 HG1 ARG 12 51.693 9.351 3.422 122 1HD ARG 12 HD2 ARG 12 50.848 10.268 5.854 123 2HD ARG 12 HD1 ARG 12 52.597 10.431 6.022 124 HE ARG 12 HE ARG 12 50.910 12.063 4.336 125 1HH1 ARG 12 HH21 ARG 12 52.569 10.879 2.235 126 2HH1 ARG 12 HH22 ARG 12 53.997 11.859 2.249 127 1HH2 ARG 12 HH11 ARG 12 53.361 13.199 5.386 128 2HH2 ARG 12 HH12 ARG 12 54.446 13.175 4.036 129 H THR 13 HN THR 13 47.272 7.518 3.986 130 HA THR 13 HA THR 13 47.176 5.088 5.596 131 HB THR 13 HB THR 13 44.788 5.048 4.790 132 HG1 THR 13 HG1 THR 13 45.155 6.078 2.804 133 1HG2 THR 13 HG22 THR 13 46.061 7.348 6.197 134 2HG2 THR 13 HG21 THR 13 44.357 7.491 5.767 135 3HG2 THR 13 HG23 THR 13 44.897 6.168 6.801 136 H SER 14 HN SER 14 47.331 5.944 2.190 137 HA SER 14 HA SER 14 47.318 3.035 1.503 138 1HB SER 14 HB2 SER 14 46.069 5.377 0.259 139 2HB SER 14 HB1 SER 14 46.997 4.412 -0.885 140 HG SER 14 HG SER 14 44.717 3.798 -0.455 141 H ILE 15 HN ILE 15 48.525 2.981 -0.875 142 HA ILE 15 HA ILE 15 51.311 3.612 -0.234 143 HB ILE 15 HB ILE 15 49.982 2.271 -2.601 144 1HG1 ILE 15 HG12 ILE 15 49.939 1.018 -0.475 145 2HG1 ILE 15 HG11 ILE 15 51.016 0.241 -1.636 146 1HG2 ILE 15 HG22 ILE 15 52.887 2.893 -2.066 147 2HG2 ILE 15 HG21 ILE 15 52.415 1.510 -3.053 148 3HG2 ILE 15 HG23 ILE 15 51.966 3.142 -3.550 149 1HD1 ILE 15 HD11 ILE 15 52.928 1.527 -0.547 150 2HD1 ILE 15 HD13 ILE 15 51.798 1.980 0.725 151 3HD1 ILE 15 HD12 ILE 15 52.195 0.288 0.464 152 H GLU 16 HN GLU 16 51.269 5.881 -0.191 153 HA GLU 16 HA GLU 16 50.415 7.481 -2.404 154 1HB GLU 16 HB2 GLU 16 51.350 7.944 0.206 155 2HB GLU 16 HB1 GLU 16 52.559 8.684 -0.841 156 1HG GLU 16 HG2 GLU 16 50.815 10.318 -0.330 157 2HG GLU 16 HG1 GLU 16 50.739 9.893 -2.039 158 H ASN 17 HN ASN 17 51.822 8.532 -3.955 159 HA ASN 17 HA ASN 17 53.801 6.816 -5.085 160 1HB ASN 17 HB2 ASN 17 52.832 9.581 -5.586 161 2HB ASN 17 HB1 ASN 17 54.455 9.214 -6.174 162 1HD2 ASN 17 HD22 ASN 17 53.229 7.424 -8.935 163 2HD2 ASN 17 HD21 ASN 17 54.500 8.299 -8.228 164 NH1 ARG 18 NH2 ARG 18 58.049 13.426 0.524 165 NH2 ARG 18 NH1 ARG 18 56.588 15.152 0.567 166 H ARG 18 HN ARG 18 53.970 9.113 -2.508 167 HA ARG 18 HA ARG 18 56.884 9.413 -2.703 168 1HB ARG 18 HB2 ARG 18 54.712 10.513 -0.967 169 2HB ARG 18 HB1 ARG 18 56.345 10.453 -0.300 170 1HG ARG 18 HG2 ARG 18 57.219 11.837 -2.013 171 2HG ARG 18 HG1 ARG 18 55.807 11.594 -3.041 172 1HD ARG 18 HD2 ARG 18 55.816 13.836 -1.953 173 2HD ARG 18 HD1 ARG 18 54.413 12.870 -1.496 174 HE ARG 18 HE ARG 18 55.401 12.553 0.698 175 1HH1 ARG 18 HH21 ARG 18 58.240 12.456 0.373 176 2HH1 ARG 18 HH22 ARG 18 58.788 14.045 0.792 177 1HH2 ARG 18 HH11 ARG 18 55.660 15.504 0.451 178 2HH2 ARG 18 HH12 ARG 18 57.327 15.771 0.836 179 H VAL 19 HN VAL 19 54.500 7.476 -0.976 180 HA VAL 19 HA VAL 19 56.318 6.470 1.011 181 HB VAL 19 HB VAL 19 53.627 6.249 0.768 182 1HG1 VAL 19 HG11 VAL 19 54.703 3.568 -0.197 183 2HG1 VAL 19 HG13 VAL 19 53.082 3.828 0.428 184 3HG1 VAL 19 HG12 VAL 19 53.587 4.624 -1.060 185 1HG2 VAL 19 HG21 VAL 19 55.317 5.723 2.672 186 2HG2 VAL 19 HG23 VAL 19 53.759 4.896 2.701 187 3HG2 VAL 19 HG22 VAL 19 55.195 4.053 2.120 188 NH1 ARG 20 NH2 ARG 20 51.946 2.304 -6.848 189 NH2 ARG 20 NH1 ARG 20 53.573 1.021 -7.755 190 H ARG 20 HN ARG 20 55.293 5.252 -2.163 191 HA ARG 20 HA ARG 20 56.838 2.869 -2.190 192 1HB ARG 20 HB2 ARG 20 55.854 4.725 -4.339 193 2HB ARG 20 HB1 ARG 20 56.949 3.409 -4.760 194 1HG ARG 20 HG2 ARG 20 55.153 2.082 -3.200 195 2HG ARG 20 HG1 ARG 20 54.115 3.315 -3.916 196 1HD ARG 20 HD2 ARG 20 56.000 1.919 -5.751 197 2HD ARG 20 HD1 ARG 20 54.626 0.986 -5.158 198 HE ARG 20 HE ARG 20 54.201 3.643 -6.457 199 1HH1 ARG 20 HH21 ARG 20 51.668 3.054 -6.248 200 2HH1 ARG 20 HH22 ARG 20 51.255 1.785 -7.352 201 1HH2 ARG 20 HH11 ARG 20 54.541 0.789 -7.849 202 2HH2 ARG 20 HH12 ARG 20 52.883 0.502 -8.259 203 CH2 TRP 21 CH2 TRP 21 59.828 3.423 -8.221 204 H TRP 21 HN TRP 21 57.784 6.076 -3.468 205 HA TRP 21 HA TRP 21 60.459 5.112 -3.932 206 1HB TRP 21 HB2 TRP 21 59.045 7.662 -4.307 207 2HB TRP 21 HB1 TRP 21 60.741 7.861 -3.847 208 HD1 TRP 21 HD1 TRP 21 61.703 8.447 -6.236 209 HE1 TRP 21 HE1 TRP 21 62.016 7.063 -8.395 210 HE3 TRP 21 HE3 TRP 21 58.784 4.398 -5.162 211 HZ2 TRP 21 HZ2 TRP 21 61.141 4.542 -9.495 212 HZ3 TRP 21 HZ3 TRP 21 58.546 2.538 -6.727 213 HH2 TRP 21 HH2 TRP 21 59.733 2.597 -8.909 214 H SER 22 HN SER 22 58.810 6.022 -1.097 215 HA SER 22 HA SER 22 61.076 6.890 0.470 216 1HB SER 22 HB2 SER 22 58.415 6.844 0.992 217 2HB SER 22 HB1 SER 22 58.880 5.332 1.765 218 HG SER 22 HG SER 22 60.035 7.893 2.206 219 H LEU 23 HN LEU 23 59.509 3.832 -0.372 220 HA LEU 23 HA LEU 23 61.070 2.003 1.168 221 1HB LEU 23 HB2 LEU 23 59.998 1.666 -1.662 222 2HB LEU 23 HB1 LEU 23 60.548 0.365 -0.641 223 HG LEU 23 HG LEU 23 58.395 2.124 0.436 224 1HD1 LEU 23 HD13 LEU 23 58.062 1.305 -2.102 225 2HD1 LEU 23 HD12 LEU 23 57.607 -0.192 -1.289 226 3HD1 LEU 23 HD11 LEU 23 56.729 1.299 -0.948 227 1HD2 LEU 23 HD21 LEU 23 59.362 -0.710 0.670 228 2HD2 LEU 23 HD23 LEU 23 58.915 0.423 1.946 229 3HD2 LEU 23 HD22 LEU 23 57.662 -0.381 1.001 230 H GLU 24 HN GLU 24 61.488 3.434 -2.028 231 HA GLU 24 HA GLU 24 63.916 2.230 -2.833 232 1HB GLU 24 HB2 GLU 24 62.279 4.007 -3.976 233 2HB GLU 24 HB1 GLU 24 63.491 5.141 -3.382 234 1HG GLU 24 HG2 GLU 24 65.124 3.284 -4.473 235 2HG GLU 24 HG1 GLU 24 63.715 3.075 -5.511 236 H THR 25 HN THR 25 63.372 5.003 -0.698 237 HA THR 25 HA THR 25 66.127 5.804 -0.510 238 HB THR 25 HB THR 25 64.063 6.252 1.641 239 HG1 THR 25 HG1 THR 25 62.995 7.522 0.350 240 1HG2 THR 25 HG23 THR 25 66.519 7.662 0.619 241 2HG2 THR 25 HG22 THR 25 65.281 8.548 1.509 242 3HG2 THR 25 HG21 THR 25 66.119 7.196 2.272 243 H MET 26 HN MET 26 64.099 3.755 1.585 244 HA MET 26 HA MET 26 66.261 3.285 3.469 245 1HB MET 26 HB2 MET 26 63.516 2.109 3.080 246 2HB MET 26 HB1 MET 26 64.637 1.439 4.266 247 1HG MET 26 HG2 MET 26 64.906 3.886 5.084 248 2HG MET 26 HG1 MET 26 63.425 4.198 4.178 249 1HE MET 26 HE2 MET 26 65.243 3.022 6.920 250 2HE MET 26 HE1 MET 26 64.102 2.573 8.186 251 3HE MET 26 HE3 MET 26 64.692 1.353 7.048 252 H PHE 27 HN PHE 27 65.431 1.858 0.431 253 HA PHE 27 HA PHE 27 66.775 -0.687 1.089 254 1HB PHE 27 HB2 PHE 27 65.186 0.314 -1.253 255 2HB PHE 27 HB1 PHE 27 66.311 -1.017 -1.487 256 HD1 PHE 27 HD2 PHE 27 66.228 -2.851 0.498 257 HD2 PHE 27 HD1 PHE 27 63.008 -0.251 -0.637 258 HE1 PHE 27 HE2 PHE 27 64.596 -4.423 1.510 259 HE2 PHE 27 HE1 PHE 27 61.381 -1.816 0.372 260 HZ PHE 27 HZ PHE 27 62.172 -3.901 1.441 261 H LEU 28 HN LEU 28 67.475 2.338 -0.511 262 HA LEU 28 HA LEU 28 69.786 1.306 -1.950 263 1HB LEU 28 HB2 LEU 28 68.879 4.132 -1.359 264 2HB LEU 28 HB1 LEU 28 70.230 3.716 -2.418 265 HG LEU 28 HG LEU 28 67.503 2.505 -2.832 266 1HD1 LEU 28 HD11 LEU 28 67.816 5.204 -2.878 267 2HD1 LEU 28 HD13 LEU 28 68.298 4.804 -4.526 268 3HD1 LEU 28 HD12 LEU 28 66.705 4.336 -3.935 269 1HD2 LEU 28 HD22 LEU 28 70.076 2.764 -4.339 270 2HD2 LEU 28 HD21 LEU 28 69.011 1.367 -4.169 271 3HD2 LEU 28 HD23 LEU 28 68.571 2.684 -5.257 272 H LYS 29 HN LYS 29 69.392 1.692 1.297 273 HA LYS 29 HA LYS 29 72.134 2.742 1.754 274 1HB LYS 29 HB2 LYS 29 70.910 3.800 3.392 275 2HB LYS 29 HB1 LYS 29 69.619 2.611 3.328 276 1HG LYS 29 HG2 LYS 29 70.628 1.225 4.924 277 2HG LYS 29 HG1 LYS 29 72.251 1.815 4.566 278 1HD LYS 29 HD2 LYS 29 71.511 2.676 6.740 279 2HD LYS 29 HD1 LYS 29 71.668 4.003 5.587 280 1HE LYS 29 HE2 LYS 29 69.267 4.007 5.192 281 2HE LYS 29 HE1 LYS 29 69.062 2.587 6.220 282 1HZ LYS 29 HZ1 LYS 29 70.172 4.029 7.999 283 2HZ LYS 29 HZ3 LYS 29 69.785 5.340 6.994 284 3HZ LYS 29 HZ2 LYS 29 68.550 4.349 7.609 285 H CYS 30 HN CYS 30 70.031 -0.013 2.417 286 HA CYS 30 HA CYS 30 72.454 -1.621 3.058 287 1HB CYS 30 HB2 CYS 30 69.601 -1.768 4.001 288 2HB CYS 30 HB1 CYS 30 70.672 -3.163 4.131 289 HG CYS 30 HG CYS 30 71.324 -2.031 6.264 290 HA PRO 31 HA PRO 31 71.041 -3.758 -0.698 291 1HB PRO 31 HB2 PRO 31 73.476 -4.833 -1.331 292 2HB PRO 31 HB1 PRO 31 73.040 -3.165 -1.741 293 1HG PRO 31 HG2 PRO 31 74.907 -4.152 0.349 294 2HG PRO 31 HG1 PRO 31 74.856 -2.573 -0.453 295 1HD PRO 31 HD2 PRO 31 73.869 -3.213 2.156 296 2HD PRO 31 HD1 PRO 31 73.676 -1.674 1.290 297 H LYS 32 HN LYS 32 71.432 -4.750 2.308 298 HA LYS 32 HA LYS 32 71.641 -7.624 1.667 299 1HB LYS 32 HB2 LYS 32 72.517 -7.803 4.065 300 2HB LYS 32 HB1 LYS 32 73.597 -7.021 2.912 301 1HG LYS 32 HG2 LYS 32 73.200 -4.870 3.792 302 2HG LYS 32 HG1 LYS 32 71.656 -5.341 4.504 303 1HD LYS 32 HD2 LYS 32 72.899 -6.804 6.114 304 2HD LYS 32 HD1 LYS 32 74.412 -6.181 5.454 305 1HE LYS 32 HE2 LYS 32 73.184 -3.841 5.945 306 2HE LYS 32 HE1 LYS 32 72.398 -4.825 7.180 307 1HZ LYS 32 HZ3 LYS 32 75.316 -4.964 6.861 308 2HZ LYS 32 HZ2 LYS 32 74.633 -3.650 7.693 309 3HZ LYS 32 HZ1 LYS 32 74.373 -5.236 8.243 310 HA PRO 33 HA PRO 33 67.691 -6.460 4.049 311 1HB PRO 33 HB2 PRO 33 65.828 -6.873 2.075 312 2HB PRO 33 HB1 PRO 33 66.553 -5.293 2.424 313 1HG PRO 33 HG2 PRO 33 67.123 -7.176 0.178 314 2HG PRO 33 HG1 PRO 33 67.235 -5.407 0.219 315 1HD PRO 33 HD2 PRO 33 69.429 -7.152 0.400 316 2HD PRO 33 HD1 PRO 33 69.421 -5.448 0.905 317 H SER 34 HN SER 34 66.750 -8.138 5.135 318 HA SER 34 HA SER 34 67.102 -10.880 4.125 319 1HB SER 34 HB2 SER 34 67.691 -10.401 6.468 320 2HB SER 34 HB1 SER 34 66.043 -9.853 6.762 321 HG SER 34 HG SER 34 66.863 -12.238 7.087 322 H LEU 35 HN LEU 35 65.301 -12.356 3.978 323 HA LEU 35 HA LEU 35 62.951 -11.256 2.766 324 1HB LEU 35 HB2 LEU 35 63.626 -13.944 3.966 325 2HB LEU 35 HB1 LEU 35 61.995 -13.604 3.384 326 HG LEU 35 HG LEU 35 64.199 -12.827 1.568 327 1HD1 LEU 35 HD11 LEU 35 64.319 -15.381 2.746 328 2HD1 LEU 35 HD13 LEU 35 63.567 -15.645 1.171 329 3HD1 LEU 35 HD12 LEU 35 65.142 -14.861 1.277 330 1HD2 LEU 35 HD23 LEU 35 61.384 -13.746 1.475 331 2HD2 LEU 35 HD22 LEU 35 62.221 -12.575 0.455 332 3HD2 LEU 35 HD21 LEU 35 62.397 -14.302 0.143 333 H GLN 36 HN GLN 36 63.918 -11.751 6.057 334 HA GLN 36 HA GLN 36 61.246 -11.618 7.228 335 1HB GLN 36 HB2 GLN 36 64.043 -11.670 8.193 336 2HB GLN 36 HB1 GLN 36 62.950 -10.715 9.196 337 1HG GLN 36 HG2 GLN 36 62.067 -13.430 8.275 338 2HG GLN 36 HG1 GLN 36 63.209 -13.313 9.613 339 1HE2 GLN 36 HE22 GLN 36 59.832 -13.219 11.140 340 2HE2 GLN 36 HE21 GLN 36 60.773 -14.354 10.299 341 H GLN 37 HN GLN 37 63.844 -9.356 6.469 342 HA GLN 37 HA GLN 37 62.576 -7.026 7.579 343 1HB GLN 37 HB2 GLN 37 65.028 -7.235 6.948 344 2HB GLN 37 HB1 GLN 37 64.526 -7.075 5.264 345 1HG GLN 37 HG2 GLN 37 63.860 -4.865 5.525 346 2HG GLN 37 HG1 GLN 37 63.537 -5.059 7.249 347 1HE2 GLN 37 HE22 GLN 37 67.445 -4.500 6.063 348 2HE2 GLN 37 HE21 GLN 37 66.352 -5.223 4.984 349 H ILE 38 HN ILE 38 62.223 -8.765 4.539 350 HA ILE 38 HA ILE 38 60.826 -6.586 3.225 351 HB ILE 38 HB ILE 38 61.211 -9.505 2.523 352 1HG1 ILE 38 HG12 ILE 38 63.090 -7.972 2.117 353 2HG1 ILE 38 HG11 ILE 38 62.395 -8.489 0.583 354 1HG2 ILE 38 HG23 ILE 38 59.152 -7.625 1.510 355 2HG2 ILE 38 HG22 ILE 38 60.125 -8.379 0.248 356 3HG2 ILE 38 HG21 ILE 38 59.224 -9.383 1.384 357 1HD1 ILE 38 HD11 ILE 38 60.909 -6.229 1.173 358 2HD1 ILE 38 HD13 ILE 38 62.510 -5.802 1.777 359 3HD1 ILE 38 HD12 ILE 38 62.300 -6.266 0.089 360 H THR 39 HN THR 39 60.002 -9.250 5.300 361 HA THR 39 HA THR 39 57.138 -9.151 4.898 362 HB THR 39 HB THR 39 58.669 -9.951 7.399 363 HG1 THR 39 HG1 THR 39 57.794 -11.505 5.195 364 1HG2 THR 39 HG21 THR 39 56.094 -9.523 7.391 365 2HG2 THR 39 HG23 THR 39 56.018 -11.036 6.486 366 3HG2 THR 39 HG22 THR 39 56.708 -11.012 8.110 367 H HIS 40 HN HIS 40 59.464 -7.475 6.937 368 HA HIS 40 HA HIS 40 57.465 -5.913 8.390 369 1HB HIS 40 HB2 HIS 40 60.476 -5.740 8.136 370 2HB HIS 40 HB1 HIS 40 59.532 -4.592 9.085 371 HD1 HIS 40 HD1 HIS 40 61.224 -5.905 10.952 372 HD2 HIS 40 HD2 HIS 40 57.846 -7.925 9.573 373 HE1 HIS 40 HE1 HIS 40 60.745 -7.733 12.636 374 H ILE 41 HN ILE 41 59.138 -5.657 5.349 375 HA ILE 41 HA ILE 41 58.856 -2.795 5.061 376 HB ILE 41 HB ILE 41 59.764 -5.055 3.408 377 1HG1 ILE 41 HG12 ILE 41 60.941 -2.713 2.483 378 2HG1 ILE 41 HG11 ILE 41 60.569 -2.336 4.162 379 1HG2 ILE 41 HG23 ILE 41 58.296 -2.774 2.067 380 2HG2 ILE 41 HG22 ILE 41 59.490 -3.768 1.233 381 3HG2 ILE 41 HG21 ILE 41 58.014 -4.502 1.859 382 1HD1 ILE 41 HD11 ILE 41 61.863 -4.967 3.521 383 2HD1 ILE 41 HD13 ILE 41 62.850 -3.509 3.533 384 3HD1 ILE 41 HD12 ILE 41 61.980 -3.996 4.986 385 H ALA 42 HN ALA 42 56.939 -5.639 4.178 386 HA ALA 42 HA ALA 42 54.846 -4.276 2.819 387 1HB ALA 42 HB1 ALA 42 55.316 -6.819 2.943 388 2HB ALA 42 HB3 ALA 42 54.416 -6.766 4.459 389 3HB ALA 42 HB2 ALA 42 53.629 -6.301 2.951 390 H ASN 43 HN ASN 43 55.060 -5.398 6.186 391 HA ASN 43 HA ASN 43 52.649 -4.131 7.065 392 1HB ASN 43 HB2 ASN 43 54.974 -5.437 8.281 393 2HB ASN 43 HB1 ASN 43 54.385 -4.091 9.255 394 1HD2 ASN 43 HD22 ASN 43 51.599 -5.890 10.410 395 2HD2 ASN 43 HD21 ASN 43 52.631 -4.556 10.591 396 H GLN 44 HN GLN 44 55.776 -2.912 6.217 397 HA GLN 44 HA GLN 44 55.680 -0.478 7.741 398 1HB GLN 44 HB2 GLN 44 57.464 -1.803 5.896 399 2HB GLN 44 HB1 GLN 44 57.381 -0.082 5.553 400 1HG GLN 44 HG2 GLN 44 57.954 -1.303 8.272 401 2HG GLN 44 HG1 GLN 44 59.177 -0.650 7.181 402 1HE2 GLN 44 HE22 GLN 44 58.552 2.705 8.072 403 2HE2 GLN 44 HE21 GLN 44 59.484 1.617 7.161 404 H LEU 45 HN LEU 45 54.591 -1.380 4.478 405 HA LEU 45 HA LEU 45 53.391 1.351 4.321 406 1HB LEU 45 HB2 LEU 45 53.851 1.556 1.999 407 2HB LEU 45 HB1 LEU 45 55.349 1.019 2.743 408 HG LEU 45 HG LEU 45 53.406 -0.936 1.517 409 1HD1 LEU 45 HD11 LEU 45 54.850 1.081 0.124 410 2HD1 LEU 45 HD13 LEU 45 55.696 -0.442 -0.157 411 3HD1 LEU 45 HD12 LEU 45 53.986 -0.295 -0.558 412 1HD2 LEU 45 HD21 LEU 45 56.150 -0.946 2.648 413 2HD2 LEU 45 HD23 LEU 45 54.918 -2.206 2.662 414 3HD2 LEU 45 HD22 LEU 45 55.889 -1.941 1.215 415 H GLY 46 HN GLY 46 52.341 -1.410 5.109 416 1HA GLY 46 HA2 GLY 46 50.378 -2.655 4.833 417 2HA GLY 46 HA1 GLY 46 49.675 -1.097 4.428 418 H LEU 47 HN LEU 47 52.135 -2.573 2.351 419 HA LEU 47 HA LEU 47 50.011 -2.838 0.275 420 1HB LEU 47 HB2 LEU 47 51.546 -2.349 -1.363 421 2HB LEU 47 HB1 LEU 47 52.361 -1.559 -0.032 422 HG LEU 47 HG LEU 47 52.964 -4.285 -1.174 423 1HD1 LEU 47 HD11 LEU 47 53.794 -1.843 -2.052 424 2HD1 LEU 47 HD13 LEU 47 55.062 -2.221 -0.887 425 3HD1 LEU 47 HD12 LEU 47 54.743 -3.318 -2.226 426 1HD2 LEU 47 HD21 LEU 47 53.671 -3.059 1.410 427 2HD2 LEU 47 HD23 LEU 47 53.558 -4.754 0.969 428 3HD2 LEU 47 HD22 LEU 47 54.996 -3.825 0.545 429 H GLU 48 HN GLU 48 50.682 -4.692 -1.381 430 HA GLU 48 HA GLU 48 50.703 -7.185 0.206 431 1HB GLU 48 HB2 GLU 48 49.000 -6.846 -1.602 432 2HB GLU 48 HB1 GLU 48 50.310 -6.771 -2.778 433 1HG GLU 48 HG2 GLU 48 50.505 -9.017 -2.837 434 2HG GLU 48 HG1 GLU 48 50.560 -9.126 -1.078 435 H LYS 49 HN LYS 49 52.371 -8.723 -0.046 436 HA LYS 49 HA LYS 49 54.985 -7.780 -0.603 437 1HB LYS 49 HB2 LYS 49 54.258 -9.889 0.692 438 2HB LYS 49 HB1 LYS 49 54.223 -10.679 -0.885 439 1HG LYS 49 HG2 LYS 49 56.654 -9.289 -0.876 440 2HG LYS 49 HG1 LYS 49 56.520 -9.932 0.759 441 1HD LYS 49 HD2 LYS 49 55.829 -11.770 -1.483 442 2HD LYS 49 HD1 LYS 49 57.535 -11.380 -1.254 443 1HE LYS 49 HE2 LYS 49 57.162 -11.941 1.225 444 2HE LYS 49 HE1 LYS 49 55.636 -12.664 0.713 445 1HZ LYS 49 HZ2 LYS 49 56.991 -13.959 -0.936 446 2HZ LYS 49 HZ1 LYS 49 58.377 -13.430 -0.107 447 3HZ LYS 49 HZ3 LYS 49 57.224 -14.381 0.693 448 H ASP 50 HN ASP 50 52.520 -8.815 -2.810 449 HA ASP 50 HA ASP 50 54.261 -9.656 -4.950 450 1HB ASP 50 HB2 ASP 50 51.707 -10.082 -4.636 451 2HB ASP 50 HB1 ASP 50 51.514 -8.492 -5.375 452 H VAL 51 HN VAL 51 52.824 -6.509 -4.033 453 HA VAL 51 HA VAL 51 53.928 -5.261 -6.459 454 HB VAL 51 HB VAL 51 51.790 -4.465 -5.505 455 1HG1 VAL 51 HG13 VAL 51 53.355 -4.459 -3.068 456 2HG1 VAL 51 HG12 VAL 51 52.623 -2.878 -3.334 457 3HG1 VAL 51 HG11 VAL 51 51.611 -4.318 -3.268 458 1HG2 VAL 51 HG22 VAL 51 54.150 -2.587 -5.603 459 2HG2 VAL 51 HG21 VAL 51 52.878 -2.820 -6.801 460 3HG2 VAL 51 HG23 VAL 51 52.523 -1.986 -5.288 461 H VAL 52 HN VAL 52 54.897 -5.808 -3.152 462 HA VAL 52 HA VAL 52 56.980 -3.768 -3.159 463 HB VAL 52 HB VAL 52 55.684 -5.039 -1.151 464 1HG1 VAL 52 HG12 VAL 52 57.046 -7.181 -1.850 465 2HG1 VAL 52 HG11 VAL 52 58.337 -6.409 -0.929 466 3HG1 VAL 52 HG13 VAL 52 56.806 -6.797 -0.145 467 1HG2 VAL 52 HG22 VAL 52 57.588 -3.123 -1.335 468 2HG2 VAL 52 HG21 VAL 52 56.980 -3.741 0.199 469 3HG2 VAL 52 HG23 VAL 52 58.487 -4.368 -0.467 470 NH1 ARG 53 NH1 ARG 53 62.533 -9.379 -2.032 471 NH2 ARG 53 NH2 ARG 53 62.723 -11.624 -1.840 472 H ARG 53 HN ARG 53 56.684 -7.110 -4.152 473 HA ARG 53 HA ARG 53 59.585 -7.526 -4.307 474 1HB ARG 53 HB2 ARG 53 57.603 -9.273 -3.948 475 2HB ARG 53 HB1 ARG 53 57.646 -9.313 -5.712 476 1HG ARG 53 HG2 ARG 53 59.160 -11.011 -5.009 477 2HG ARG 53 HG1 ARG 53 60.175 -9.653 -5.492 478 1HD ARG 53 HD2 ARG 53 60.269 -8.937 -3.097 479 2HD ARG 53 HD1 ARG 53 59.381 -10.399 -2.667 480 HE ARG 53 HE ARG 53 61.525 -11.361 -4.113 481 1HH1 ARG 53 HH11 ARG 53 62.129 -8.580 -2.478 482 2HH1 ARG 53 HH12 ARG 53 63.194 -9.258 -1.292 483 1HH2 ARG 53 HH21 ARG 53 62.464 -12.543 -2.138 484 2HH2 ARG 53 HH22 ARG 53 63.383 -11.506 -1.098 485 H VAL 54 HN VAL 54 56.897 -6.870 -6.547 486 HA VAL 54 HA VAL 54 58.448 -7.101 -8.959 487 HB VAL 54 HB VAL 54 56.007 -5.366 -8.439 488 1HG1 VAL 54 HG12 VAL 54 57.331 -4.886 -10.535 489 2HG1 VAL 54 HG11 VAL 54 57.028 -6.549 -11.038 490 3HG1 VAL 54 HG13 VAL 54 55.680 -5.430 -10.836 491 1HG2 VAL 54 HG21 VAL 54 56.031 -8.003 -8.037 492 2HG2 VAL 54 HG23 VAL 54 54.666 -7.214 -8.829 493 3HG2 VAL 54 HG22 VAL 54 55.895 -8.030 -9.795 494 CH2 TRP 55 CH2 TRP 55 62.224 0.228 -3.142 495 H TRP 55 HN TRP 55 57.638 -4.271 -6.907 496 HA TRP 55 HA TRP 55 59.165 -2.424 -8.507 497 1HB TRP 55 HB2 TRP 55 57.603 -1.416 -6.989 498 2HB TRP 55 HB1 TRP 55 58.230 -2.332 -5.621 499 HD1 TRP 55 HD1 TRP 55 59.285 0.547 -8.004 500 HE1 TRP 55 HE1 TRP 55 61.111 1.921 -6.816 501 HE3 TRP 55 HE3 TRP 55 59.960 -2.242 -3.759 502 HZ2 TRP 55 HZ2 TRP 55 62.613 1.886 -4.435 503 HZ3 TRP 55 HZ3 TRP 55 61.639 -1.535 -2.079 504 HH2 TRP 55 HH2 TRP 55 62.945 0.536 -2.402 505 H PHE 56 HN PHE 56 59.970 -4.396 -5.618 506 HA PHE 56 HA PHE 56 62.684 -3.379 -5.679 507 1HB PHE 56 HB2 PHE 56 61.302 -4.427 -3.630 508 2HB PHE 56 HB1 PHE 56 62.165 -5.877 -4.154 509 HD1 PHE 56 HD1 PHE 56 63.067 -2.245 -4.082 510 HD2 PHE 56 HD2 PHE 56 64.099 -6.206 -2.814 511 HE1 PHE 56 HE1 PHE 56 65.121 -1.362 -3.058 512 HE2 PHE 56 HE2 PHE 56 66.188 -5.317 -1.802 513 HZ PHE 56 HZ PHE 56 66.686 -2.883 -1.950 514 H CYS 57 HN CYS 57 61.166 -5.501 -7.684 515 HA CYS 57 HA CYS 57 63.380 -7.390 -7.997 516 1HB CYS 57 HB2 CYS 57 60.948 -7.881 -8.645 517 2HB CYS 57 HB1 CYS 57 61.175 -6.766 -9.993 518 HG CYS 57 HG CYS 57 62.298 -8.599 -11.208 519 H ASN 58 HN ASN 58 62.184 -4.386 -9.367 520 HA ASN 58 HA ASN 58 64.371 -4.209 -11.330 521 1HB ASN 58 HB2 ASN 58 61.966 -3.277 -11.602 522 2HB ASN 58 HB1 ASN 58 62.498 -1.976 -10.538 523 1HD2 ASN 58 HD22 ASN 58 63.851 -0.271 -13.296 524 2HD2 ASN 58 HD21 ASN 58 62.937 -0.207 -11.868 525 NH1 ARG 59 NH2 ARG 59 65.532 3.434 -7.747 526 NH2 ARG 59 NH1 ARG 59 67.726 3.008 -7.423 527 H ARG 59 HN ARG 59 63.623 -3.103 -8.068 528 HA ARG 59 HA ARG 59 65.738 -1.087 -8.039 529 1HB ARG 59 HB2 ARG 59 63.564 -1.771 -6.296 530 2HB ARG 59 HB1 ARG 59 65.041 -1.886 -5.356 531 1HG ARG 59 HG2 ARG 59 64.032 0.513 -6.887 532 2HG ARG 59 HG1 ARG 59 64.255 0.353 -5.149 533 1HD ARG 59 HD2 ARG 59 66.292 1.277 -5.434 534 2HD ARG 59 HD1 ARG 59 66.773 -0.238 -6.197 535 HE ARG 59 HE ARG 59 66.166 0.807 -8.387 536 1HH1 ARG 59 HH21 ARG 59 64.594 3.108 -7.864 537 2HH1 ARG 59 HH22 ARG 59 65.725 4.415 -7.761 538 1HH2 ARG 59 HH11 ARG 59 68.471 2.354 -7.293 539 2HH2 ARG 59 HH12 ARG 59 67.919 3.989 -7.441 540 NH1 ARG 60 NH1 ARG 60 64.215 -10.896 -6.830 541 NH2 ARG 60 NH2 ARG 60 66.150 -11.754 -7.624 542 H ARG 60 HN ARG 60 65.544 -4.524 -7.482 543 HA ARG 60 HA ARG 60 68.095 -4.553 -5.998 544 1HB ARG 60 HB2 ARG 60 67.797 -6.976 -5.896 545 2HB ARG 60 HB1 ARG 60 66.296 -6.181 -5.429 546 1HG ARG 60 HG2 ARG 60 65.460 -6.495 -7.772 547 2HG ARG 60 HG1 ARG 60 66.924 -7.408 -8.131 548 1HD ARG 60 HD2 ARG 60 66.055 -8.635 -5.827 549 2HD ARG 60 HD1 ARG 60 64.532 -8.227 -6.616 550 HE ARG 60 HE ARG 60 66.200 -9.372 -8.590 551 1HH1 ARG 60 HH11 ARG 60 63.625 -10.108 -6.654 552 2HH1 ARG 60 HH12 ARG 60 63.911 -11.815 -6.577 553 1HH2 ARG 60 HH21 ARG 60 67.042 -11.623 -8.055 554 2HH2 ARG 60 HH22 ARG 60 65.847 -12.673 -7.370 555 H GLN 61 HN GLN 61 66.909 -5.000 -9.259 556 HA GLN 61 HA GLN 61 69.703 -5.615 -10.131 557 1HB GLN 61 HB2 GLN 61 67.106 -6.326 -11.534 558 2HB GLN 61 HB1 GLN 61 68.729 -6.736 -12.089 559 1HG GLN 61 HG2 GLN 61 68.496 -7.625 -9.378 560 2HG GLN 61 HG1 GLN 61 67.064 -8.175 -10.245 561 1HE2 GLN 61 HE22 GLN 61 70.734 -9.483 -11.585 562 2HE2 GLN 61 HE21 GLN 61 70.626 -7.963 -10.838 563 H LYS 62 HN LYS 62 69.440 -3.070 -9.756 564 HA LYS 62 HA LYS 62 68.248 -1.646 -12.010 565 1HB LYS 62 HB2 LYS 62 69.324 0.340 -10.979 566 2HB LYS 62 HB1 LYS 62 68.377 -0.575 -9.809 567 1HG LYS 62 HG2 LYS 62 71.103 -1.576 -9.913 568 2HG LYS 62 HG1 LYS 62 71.095 0.155 -9.591 569 1HD LYS 62 HD2 LYS 62 69.661 -0.129 -7.680 570 2HD LYS 62 HD1 LYS 62 69.373 -1.823 -8.078 571 1HE LYS 62 HE2 LYS 62 72.132 -1.708 -7.944 572 2HE LYS 62 HE1 LYS 62 71.640 -0.592 -6.670 573 1HZ LYS 62 HZ3 LYS 62 70.193 -2.318 -5.779 574 2HZ LYS 62 HZ2 LYS 62 70.701 -3.391 -6.994 575 3HZ LYS 62 HZ1 LYS 62 71.806 -2.839 -5.828 576 H GLY 63 HN GLY 63 71.349 -3.048 -11.215 577 1HA GLY 63 HA2 GLY 63 72.304 -2.823 -13.904 578 2HA GLY 63 HA1 GLY 63 73.085 -1.607 -12.892 579 H LYS 64 HN LYS 64 72.154 -5.036 -12.432 580 HA LYS 64 HA LYS 64 74.939 -5.522 -11.449 581 1HB LYS 64 HB2 LYS 64 72.976 -5.714 -9.785 582 2HB LYS 64 HB1 LYS 64 72.534 -7.172 -10.674 583 1HG LYS 64 HG2 LYS 64 75.132 -7.705 -10.346 584 2HG LYS 64 HG1 LYS 64 74.911 -6.656 -8.945 585 1HD LYS 64 HD2 LYS 64 72.989 -8.909 -9.510 586 2HD LYS 64 HD1 LYS 64 74.492 -9.196 -8.632 587 1HE LYS 64 HE2 LYS 64 73.053 -8.712 -6.872 588 2HE LYS 64 HE1 LYS 64 73.699 -7.108 -7.216 589 1HZ LYS 64 HZ2 LYS 64 71.243 -8.123 -8.517 590 2HZ LYS 64 HZ1 LYS 64 71.199 -7.321 -7.019 591 3HZ LYS 64 HZ3 LYS 64 71.784 -6.517 -8.393 592 NH1 ARG 65 NH1 ARG 65 73.016 -14.007 -15.099 593 NH2 ARG 65 NH2 ARG 65 71.117 -13.516 -13.977 594 H ARG 65 HN ARG 65 73.802 -5.770 -14.231 595 HA ARG 65 HA ARG 65 74.910 -8.419 -14.800 596 1HB ARG 65 HB2 ARG 65 72.379 -8.665 -14.187 597 2HB ARG 65 HB1 ARG 65 72.102 -7.961 -15.780 598 1HG ARG 65 HG2 ARG 65 73.041 -9.774 -16.897 599 2HG ARG 65 HG1 ARG 65 74.039 -10.236 -15.519 600 1HD ARG 65 HD2 ARG 65 71.191 -10.368 -14.882 601 2HD ARG 65 HD1 ARG 65 71.609 -11.398 -16.250 602 HE ARG 65 HE ARG 65 73.271 -11.591 -13.794 603 1HH1 ARG 65 HH11 ARG 65 73.881 -13.715 -15.507 604 2HH1 ARG 65 HH12 ARG 65 72.741 -14.967 -15.143 605 1HH2 ARG 65 HH21 ARG 65 70.526 -12.849 -13.523 606 2HH2 ARG 65 HH22 ARG 65 70.844 -14.477 -14.021 607 H SER 66 HN SER 66 75.377 -5.562 -15.508 608 HA SER 66 HA SER 66 75.660 -5.967 -18.402 609 1HB SER 66 HB2 SER 66 73.455 -5.039 -18.452 610 2HB SER 66 HB1 SER 66 73.865 -3.824 -17.244 611 HG SER 66 HG SER 66 73.869 -3.042 -19.436 612 H SER 67 HN SER 67 75.561 -2.978 -16.454 613 HA SER 67 HA SER 67 78.508 -2.848 -16.413 614 1HB SER 67 HB2 SER 67 77.737 -1.879 -18.632 615 2HB SER 67 HB1 SER 67 76.912 -0.625 -17.712 616 HG SER 67 HG SER 67 79.520 -0.856 -18.347 Start of MODEL 5 Raw file had 616 H/Q atoms Start of MODEL 5 1 1H MET 1 HT1 MET 1 38.816 -1.612 14.264 2 2H MET 1 HT3 MET 1 37.949 -2.995 14.724 3 3H MET 1 HT2 MET 1 37.732 -1.538 15.571 4 HA MET 1 HA MET 1 39.805 -1.655 16.589 5 1HB MET 1 HB2 MET 1 38.033 -3.409 17.269 6 2HB MET 1 HB1 MET 1 39.037 -4.569 16.400 7 1HG MET 1 HG2 MET 1 40.834 -4.323 17.878 8 2HG MET 1 HG1 MET 1 40.284 -2.743 18.436 9 1HE MET 1 HE2 MET 1 38.283 -2.271 19.360 10 2HE MET 1 HE1 MET 1 37.176 -3.296 20.268 11 3HE MET 1 HE3 MET 1 38.664 -2.709 21.023 12 H GLU 2 HN GLU 2 39.550 -3.896 13.869 13 HA GLU 2 HA GLU 2 42.478 -3.619 13.457 14 1HB GLU 2 HB2 GLU 2 42.610 -6.083 12.953 15 2HB GLU 2 HB1 GLU 2 42.298 -5.720 14.649 16 1HG GLU 2 HG2 GLU 2 40.503 -7.081 14.505 17 2HG GLU 2 HG1 GLU 2 39.746 -5.845 13.503 18 H THR 3 HN THR 3 40.069 -2.528 12.144 19 HA THR 3 HA THR 3 40.180 -3.915 9.503 20 HB THR 3 HB THR 3 38.274 -1.674 9.985 21 HG1 THR 3 HG1 THR 3 36.890 -3.123 11.089 22 1HG2 THR 3 HG23 THR 3 38.381 -2.972 7.861 23 2HG2 THR 3 HG22 THR 3 37.973 -4.431 8.765 24 3HG2 THR 3 HG21 THR 3 36.812 -3.107 8.656 25 H LEU 4 HN LEU 4 42.299 -2.967 9.034 26 HA LEU 4 HA LEU 4 42.258 -0.024 8.552 27 1HB LEU 4 HB2 LEU 4 44.153 -1.426 9.831 28 2HB LEU 4 HB1 LEU 4 44.745 -1.629 8.182 29 HG LEU 4 HG LEU 4 43.927 1.102 9.117 30 1HD1 LEU 4 HD13 LEU 4 46.438 -0.401 9.845 31 2HD1 LEU 4 HD12 LEU 4 46.442 1.356 9.698 32 3HD1 LEU 4 HD11 LEU 4 45.399 0.572 10.885 33 1HD2 LEU 4 HD23 LEU 4 45.769 -0.112 7.065 34 2HD2 LEU 4 HD22 LEU 4 44.463 1.049 6.827 35 3HD2 LEU 4 HD21 LEU 4 45.977 1.565 7.571 36 H VAL 5 HN VAL 5 42.651 -3.148 6.987 37 HA VAL 5 HA VAL 5 42.287 -1.812 4.360 38 HB VAL 5 HB VAL 5 44.714 -2.111 4.590 39 1HG1 VAL 5 HG12 VAL 5 44.142 -4.247 6.149 40 2HG1 VAL 5 HG11 VAL 5 44.526 -5.072 4.639 41 3HG1 VAL 5 HG13 VAL 5 45.714 -4.004 5.386 42 1HG2 VAL 5 HG21 VAL 5 43.387 -2.682 2.407 43 2HG2 VAL 5 HG23 VAL 5 45.086 -3.146 2.515 44 3HG2 VAL 5 HG22 VAL 5 43.824 -4.349 2.780 45 H GLN 6 HN GLN 6 40.118 -2.766 4.886 46 HA GLN 6 HA GLN 6 39.886 -5.692 4.822 47 1HB GLN 6 HB2 GLN 6 38.316 -3.695 5.863 48 2HB GLN 6 HB1 GLN 6 37.455 -4.069 4.371 49 1HG GLN 6 HG2 GLN 6 38.384 -6.402 5.960 50 2HG GLN 6 HG1 GLN 6 37.082 -5.448 6.671 51 1HE2 GLN 6 HE22 GLN 6 34.816 -6.153 3.908 52 2HE2 GLN 6 HE21 GLN 6 35.277 -4.868 4.918 53 H ALA 7 HN ALA 7 39.440 -2.972 2.611 54 HA ALA 7 HA ALA 7 38.164 -4.432 0.508 55 1HB ALA 7 HB2 ALA 7 39.797 -1.888 0.541 56 2HB ALA 7 HB1 ALA 7 39.061 -2.524 -0.930 57 3HB ALA 7 HB3 ALA 7 38.044 -2.046 0.430 58 NH1 ARG 8 NH2 ARG 8 38.963 -9.889 0.805 59 NH2 ARG 8 NH1 ARG 8 36.800 -9.627 0.207 60 H ARG 8 HN ARG 8 39.512 -4.296 -1.749 61 HA ARG 8 HA ARG 8 42.283 -5.136 -1.522 62 1HB ARG 8 HB2 ARG 8 41.892 -7.389 -2.530 63 2HB ARG 8 HB1 ARG 8 41.216 -7.243 -0.908 64 1HG ARG 8 HG2 ARG 8 39.051 -6.474 -2.216 65 2HG ARG 8 HG1 ARG 8 39.799 -7.355 -3.549 66 1HD ARG 8 HD2 ARG 8 38.739 -9.146 -2.608 67 2HD ARG 8 HD1 ARG 8 40.139 -9.149 -1.536 68 HE ARG 8 HE ARG 8 38.062 -7.396 -0.542 69 1HH1 ARG 8 HH21 ARG 8 39.922 -9.617 0.727 70 2HH1 ARG 8 HH22 ARG 8 38.703 -10.632 1.420 71 1HH2 ARG 8 HH11 ARG 8 36.101 -9.154 -0.328 72 2HH2 ARG 8 HH12 ARG 8 36.541 -10.371 0.823 73 H LYS 9 HN LYS 9 40.790 -3.088 -2.914 74 HA LYS 9 HA LYS 9 41.795 -3.573 -5.612 75 1HB LYS 9 HB2 LYS 9 39.308 -4.417 -5.353 76 2HB LYS 9 HB1 LYS 9 38.931 -2.695 -5.439 77 1HG LYS 9 HG2 LYS 9 40.165 -2.527 -7.569 78 2HG LYS 9 HG1 LYS 9 40.544 -4.248 -7.486 79 1HD LYS 9 HD2 LYS 9 37.680 -3.367 -7.304 80 2HD LYS 9 HD1 LYS 9 38.464 -3.437 -8.883 81 1HE LYS 9 HE2 LYS 9 38.737 -5.740 -8.801 82 2HE LYS 9 HE1 LYS 9 38.751 -5.780 -7.038 83 1HZ LYS 9 HZ3 LYS 9 36.325 -4.973 -8.506 84 2HZ LYS 9 HZ2 LYS 9 36.681 -6.616 -8.265 85 3HZ LYS 9 HZ1 LYS 9 36.462 -5.587 -6.931 86 NH1 ARG 10 NH2 ARG 10 38.657 4.779 -4.214 87 NH2 ARG 10 NH1 ARG 10 39.303 5.646 -6.200 88 H ARG 10 HN ARG 10 42.613 -1.784 -3.621 89 HA ARG 10 HA ARG 10 42.333 0.746 -5.022 90 1HB ARG 10 HB2 ARG 10 40.779 0.168 -2.594 91 2HB ARG 10 HB1 ARG 10 41.773 1.616 -2.446 92 1HG ARG 10 HG2 ARG 10 40.042 1.145 -4.873 93 2HG ARG 10 HG1 ARG 10 39.399 1.905 -3.419 94 1HD ARG 10 HD2 ARG 10 40.906 3.734 -3.579 95 2HD ARG 10 HD1 ARG 10 41.920 2.896 -4.754 96 HE ARG 10 HE ARG 10 40.133 3.236 -6.423 97 1HH1 ARG 10 HH21 ARG 10 38.695 4.045 -3.536 98 2HH1 ARG 10 HH22 ARG 10 38.084 5.582 -4.050 99 1HH2 ARG 10 HH11 ARG 10 39.836 5.576 -7.043 100 2HH2 ARG 10 HH12 ARG 10 38.730 6.448 -6.036 101 H LYS 11 HN LYS 11 44.589 0.692 -5.214 102 HA LYS 11 HA LYS 11 46.225 0.355 -2.800 103 1HB LYS 11 HB2 LYS 11 48.140 0.535 -4.405 104 2HB LYS 11 HB1 LYS 11 47.013 -0.762 -4.802 105 1HG LYS 11 HG2 LYS 11 46.181 1.735 -6.043 106 2HG LYS 11 HG1 LYS 11 47.837 1.334 -6.494 107 1HD LYS 11 HD2 LYS 11 47.160 -0.857 -7.275 108 2HD LYS 11 HD1 LYS 11 45.523 -0.615 -6.665 109 1HE LYS 11 HE2 LYS 11 45.530 1.493 -8.212 110 2HE LYS 11 HE1 LYS 11 46.868 0.679 -9.023 111 1HZ LYS 11 HZ3 LYS 11 45.353 -1.321 -9.106 112 2HZ LYS 11 HZ2 LYS 11 44.087 -0.272 -8.677 113 3HZ LYS 11 HZ1 LYS 11 44.944 -0.028 -10.124 114 NH1 ARG 12 NH2 ARG 12 43.242 4.190 -8.342 115 NH2 ARG 12 NH1 ARG 12 42.082 6.096 -7.982 116 H ARG 12 HN ARG 12 44.609 2.682 -2.743 117 HA ARG 12 HA ARG 12 46.736 4.755 -2.644 118 1HB ARG 12 HB2 ARG 12 45.089 6.420 -3.601 119 2HB ARG 12 HB1 ARG 12 45.692 5.233 -4.756 120 1HG ARG 12 HG2 ARG 12 43.658 3.891 -4.478 121 2HG ARG 12 HG1 ARG 12 43.058 5.024 -3.266 122 1HD ARG 12 HD2 ARG 12 42.000 5.595 -5.355 123 2HD ARG 12 HD1 ARG 12 43.205 6.839 -5.023 124 HE ARG 12 HE ARG 12 44.709 5.462 -6.608 125 1HH1 ARG 12 HH21 ARG 12 43.960 3.549 -8.070 126 2HH1 ARG 12 HH22 ARG 12 42.696 4.013 -9.161 127 1HH2 ARG 12 HH11 ARG 12 41.911 6.915 -7.435 128 2HH2 ARG 12 HH12 ARG 12 41.536 5.918 -8.801 129 H THR 13 HN THR 13 44.740 3.072 -0.821 130 HA THR 13 HA THR 13 43.298 5.196 0.588 131 HB THR 13 HB THR 13 43.877 2.516 1.814 132 HG1 THR 13 HG1 THR 13 42.896 1.499 0.281 133 1HG2 THR 13 HG21 THR 13 42.340 4.596 2.594 134 2HG2 THR 13 HG23 THR 13 41.162 3.703 1.631 135 3HG2 THR 13 HG22 THR 13 41.960 2.921 2.995 136 H SER 14 HN SER 14 46.358 3.510 0.774 137 HA SER 14 HA SER 14 47.316 5.486 2.736 138 1HB SER 14 HB2 SER 14 46.569 3.557 4.118 139 2HB SER 14 HB1 SER 14 47.604 2.494 3.169 140 HG SER 14 HG SER 14 48.657 3.177 5.063 141 H ILE 15 HN ILE 15 47.714 4.960 -0.096 142 HA ILE 15 HA ILE 15 50.652 4.753 -0.057 143 HB ILE 15 HB ILE 15 48.862 2.976 -1.726 144 1HG1 ILE 15 HG12 ILE 15 49.510 2.179 0.531 145 2HG1 ILE 15 HG11 ILE 15 50.238 1.192 -0.734 146 1HG2 ILE 15 HG21 ILE 15 51.477 4.110 -2.410 147 2HG2 ILE 15 HG23 ILE 15 51.506 2.346 -2.385 148 3HG2 ILE 15 HG22 ILE 15 50.359 3.195 -3.420 149 1HD1 ILE 15 HD13 ILE 15 52.175 3.099 -0.396 150 2HD1 ILE 15 HD12 ILE 15 51.534 2.983 1.236 151 3HD1 ILE 15 HD11 ILE 15 52.164 1.549 0.436 152 H GLU 16 HN GLU 16 49.935 7.092 -0.256 153 HA GLU 16 HA GLU 16 48.926 7.997 -2.798 154 1HB GLU 16 HB2 GLU 16 49.217 9.172 -0.342 155 2HB GLU 16 HB1 GLU 16 50.580 9.870 -1.217 156 1HG GLU 16 HG2 GLU 16 48.846 11.366 -1.717 157 2HG GLU 16 HG1 GLU 16 48.825 10.286 -3.111 158 H ASN 17 HN ASN 17 50.342 9.411 -4.225 159 HA ASN 17 HA ASN 17 52.634 7.936 -5.086 160 1HB ASN 17 HB2 ASN 17 53.087 9.987 -6.515 161 2HB ASN 17 HB1 ASN 17 51.477 9.294 -6.707 162 1HD2 ASN 17 HD22 ASN 17 50.096 12.467 -6.053 163 2HD2 ASN 17 HD21 ASN 17 50.161 11.113 -7.074 164 NH1 ARG 18 NH2 ARG 18 57.278 15.876 -0.022 165 NH2 ARG 18 NH1 ARG 18 55.476 17.040 0.690 166 H ARG 18 HN ARG 18 52.232 10.483 -2.747 167 HA ARG 18 HA ARG 18 55.068 11.183 -2.685 168 1HB ARG 18 HB2 ARG 18 52.596 12.128 -1.453 169 2HB ARG 18 HB1 ARG 18 53.899 12.019 -0.272 170 1HG ARG 18 HG2 ARG 18 54.761 13.179 -2.833 171 2HG ARG 18 HG1 ARG 18 53.504 14.122 -2.034 172 1HD ARG 18 HD2 ARG 18 55.126 13.554 0.083 173 2HD ARG 18 HD1 ARG 18 56.309 13.646 -1.221 174 HE ARG 18 HE ARG 18 54.604 15.896 -1.469 175 1HH1 ARG 18 HH21 ARG 18 57.677 15.168 -0.605 176 2HH1 ARG 18 HH22 ARG 18 57.862 16.400 0.598 177 1HH2 ARG 18 HH11 ARG 18 54.494 17.225 0.653 178 2HH2 ARG 18 HH12 ARG 18 56.060 17.565 1.310 179 H VAL 19 HN VAL 19 52.975 8.830 -1.141 180 HA VAL 19 HA VAL 19 54.716 8.302 1.086 181 HB VAL 19 HB VAL 19 52.161 7.530 0.536 182 1HG1 VAL 19 HG12 VAL 19 53.893 5.182 -0.269 183 2HG1 VAL 19 HG11 VAL 19 52.382 4.920 0.564 184 3HG1 VAL 19 HG13 VAL 19 52.389 5.757 -0.984 185 1HG2 VAL 19 HG22 VAL 19 54.285 6.517 2.395 186 2HG2 VAL 19 HG21 VAL 19 52.856 7.485 2.754 187 3HG2 VAL 19 HG23 VAL 19 52.693 5.760 2.425 188 NH1 ARG 20 NH2 ARG 20 52.729 3.693 -7.495 189 NH2 ARG 20 NH1 ARG 20 51.450 2.248 -6.317 190 H ARG 20 HN ARG 20 54.352 6.806 -2.111 191 HA ARG 20 HA ARG 20 56.334 4.785 -1.733 192 1HB ARG 20 HB2 ARG 20 55.421 6.216 -4.242 193 2HB ARG 20 HB1 ARG 20 56.505 4.823 -4.255 194 1HG ARG 20 HG2 ARG 20 54.856 3.358 -3.525 195 2HG ARG 20 HG1 ARG 20 53.926 4.634 -2.740 196 1HD ARG 20 HD2 ARG 20 52.726 5.041 -4.610 197 2HD ARG 20 HD1 ARG 20 54.168 5.061 -5.625 198 HE ARG 20 HE ARG 20 53.669 2.361 -4.944 199 1HH1 ARG 20 HH21 ARG 20 53.525 4.295 -7.553 200 2HH1 ARG 20 HH22 ARG 20 52.116 3.597 -8.279 201 1HH2 ARG 20 HH11 ARG 20 51.265 1.744 -5.474 202 2HH2 ARG 20 HH12 ARG 20 50.836 2.153 -7.101 203 CH2 TRP 21 CH2 TRP 21 59.447 4.746 -6.897 204 H TRP 21 HN TRP 21 56.678 8.065 -3.096 205 HA TRP 21 HA TRP 21 59.560 7.651 -3.136 206 1HB TRP 21 HB2 TRP 21 58.006 10.124 -3.878 207 2HB TRP 21 HB1 TRP 21 59.731 9.849 -4.180 208 HD1 TRP 21 HD1 TRP 21 57.027 9.899 -6.301 209 HE1 TRP 21 HE1 TRP 21 56.912 7.974 -8.018 210 HE3 TRP 21 HE3 TRP 21 60.334 6.584 -4.203 211 HZ2 TRP 21 HZ2 TRP 21 58.049 5.339 -8.410 212 HZ3 TRP 21 HZ3 TRP 21 60.750 4.413 -5.230 213 HH2 TRP 21 HH2 TRP 21 59.661 3.790 -7.353 214 H SER 22 HN SER 22 57.522 8.221 -0.711 215 HA SER 22 HA SER 22 59.269 9.984 0.840 216 1HB SER 22 HB2 SER 22 56.883 10.042 1.412 217 2HB SER 22 HB1 SER 22 56.854 8.291 1.590 218 HG SER 22 HG SER 22 57.297 9.993 3.469 219 H LEU 23 HN LEU 23 58.458 6.581 0.292 220 HA LEU 23 HA LEU 23 60.102 5.297 2.245 221 1HB LEU 23 HB2 LEU 23 59.554 4.464 -0.627 222 2HB LEU 23 HB1 LEU 23 60.228 3.424 0.593 223 HG LEU 23 HG LEU 23 57.573 4.677 1.125 224 1HD1 LEU 23 HD13 LEU 23 57.881 3.619 -1.302 225 2HD1 LEU 23 HD12 LEU 23 57.780 2.097 -0.419 226 3HD1 LEU 23 HD11 LEU 23 56.443 3.245 -0.353 227 1HD2 LEU 23 HD21 LEU 23 59.213 2.331 1.974 228 2HD2 LEU 23 HD23 LEU 23 58.084 3.304 2.917 229 3HD2 LEU 23 HD22 LEU 23 57.478 2.043 1.843 230 H GLU 24 HN GLU 24 60.653 6.397 -1.065 231 HA GLU 24 HA GLU 24 63.363 5.611 -1.342 232 1HB GLU 24 HB2 GLU 24 61.488 7.345 -2.742 233 2HB GLU 24 HB1 GLU 24 63.116 8.017 -2.778 234 1HG GLU 24 HG2 GLU 24 63.700 5.443 -3.329 235 2HG GLU 24 HG1 GLU 24 62.071 5.515 -4.002 236 H THR 25 HN THR 25 61.993 8.629 -0.042 237 HA THR 25 HA THR 25 64.476 9.986 0.348 238 HB THR 25 HB THR 25 62.024 10.254 2.105 239 HG1 THR 25 HG1 THR 25 61.071 10.754 0.310 240 1HG2 THR 25 HG22 THR 25 64.413 11.939 1.428 241 2HG2 THR 25 HG21 THR 25 62.896 12.722 1.871 242 3HG2 THR 25 HG23 THR 25 63.684 11.623 3.002 243 H MET 26 HN MET 26 62.831 7.500 2.195 244 HA MET 26 HA MET 26 64.597 7.830 4.525 245 1HB MET 26 HB2 MET 26 62.083 6.997 4.405 246 2HB MET 26 HB1 MET 26 62.849 5.430 4.141 247 1HG MET 26 HG2 MET 26 62.713 5.487 6.467 248 2HG MET 26 HG1 MET 26 64.332 6.129 6.196 249 1HE MET 26 HE3 MET 26 64.781 7.097 8.001 250 2HE MET 26 HE2 MET 26 65.001 8.701 7.308 251 3HE MET 26 HE1 MET 26 64.076 8.512 8.795 252 H PHE 27 HN PHE 27 64.547 5.912 1.603 253 HA PHE 27 HA PHE 27 66.481 3.961 2.691 254 1HB PHE 27 HB2 PHE 27 65.037 4.215 0.049 255 2HB PHE 27 HB1 PHE 27 66.396 3.112 0.250 256 HD1 PHE 27 HD2 PHE 27 66.289 1.643 2.486 257 HD2 PHE 27 HD1 PHE 27 62.907 3.389 0.495 258 HE1 PHE 27 HE2 PHE 27 64.798 -0.025 3.556 259 HE2 PHE 27 HE1 PHE 27 61.416 1.721 1.564 260 HZ PHE 27 HZ PHE 27 62.361 0.016 3.092 261 H LEU 28 HN LEU 28 66.570 6.974 1.022 262 HA LEU 28 HA LEU 28 69.196 6.417 -0.191 263 1HB LEU 28 HB2 LEU 28 67.477 8.909 -0.182 264 2HB LEU 28 HB1 LEU 28 68.996 8.735 -1.065 265 HG LEU 28 HG LEU 28 66.636 6.870 -1.412 266 1HD1 LEU 28 HD11 LEU 28 66.705 9.519 -2.211 267 2HD1 LEU 28 HD13 LEU 28 67.295 8.668 -3.638 268 3HD1 LEU 28 HD12 LEU 28 65.725 8.255 -2.951 269 1HD2 LEU 28 HD22 LEU 28 69.390 7.052 -2.484 270 2HD2 LEU 28 HD21 LEU 28 68.331 5.650 -2.328 271 3HD2 LEU 28 HD23 LEU 28 68.139 6.754 -3.690 272 H LYS 29 HN LYS 29 68.711 6.627 2.850 273 HA LYS 29 HA LYS 29 70.530 8.910 3.430 274 1HB LYS 29 HB2 LYS 29 69.874 8.695 5.743 275 2HB LYS 29 HB1 LYS 29 68.399 8.609 4.789 276 1HG LYS 29 HG2 LYS 29 68.559 6.084 4.916 277 2HG LYS 29 HG1 LYS 29 69.902 6.285 6.043 278 1HD LYS 29 HD2 LYS 29 68.537 7.267 7.691 279 2HD LYS 29 HD1 LYS 29 67.268 7.667 6.534 280 1HE LYS 29 HE2 LYS 29 66.334 5.804 7.556 281 2HE LYS 29 HE1 LYS 29 67.178 5.042 6.209 282 1HZ LYS 29 HZ3 LYS 29 68.458 5.435 8.847 283 2HZ LYS 29 HZ2 LYS 29 67.542 4.050 8.488 284 3HZ LYS 29 HZ1 LYS 29 68.940 4.405 7.589 285 H CYS 30 HN CYS 30 70.157 5.438 3.901 286 HA CYS 30 HA CYS 30 73.084 5.144 3.936 287 1HB CYS 30 HB2 CYS 30 71.185 4.013 6.017 288 2HB CYS 30 HB1 CYS 30 72.851 3.472 5.815 289 HG CYS 30 HG CYS 30 72.180 5.753 7.480 290 HA PRO 31 HA PRO 31 71.659 1.821 1.290 291 1HB PRO 31 HB2 PRO 31 74.087 0.657 0.803 292 2HB PRO 31 HB1 PRO 31 73.588 2.184 0.050 293 1HG PRO 31 HG2 PRO 31 75.563 1.725 2.227 294 2HG PRO 31 HG1 PRO 31 75.451 3.070 1.081 295 1HD PRO 31 HD2 PRO 31 74.585 3.070 3.805 296 2HD PRO 31 HD1 PRO 31 74.296 4.341 2.598 297 H LYS 32 HN LYS 32 72.464 1.470 4.454 298 HA LYS 32 HA LYS 32 72.474 -1.488 4.309 299 1HB LYS 32 HB2 LYS 32 73.734 -1.389 6.486 300 2HB LYS 32 HB1 LYS 32 74.618 -0.724 5.112 301 1HG LYS 32 HG2 LYS 32 74.330 1.489 5.824 302 2HG LYS 32 HG1 LYS 32 72.908 1.100 6.792 303 1HD LYS 32 HD2 LYS 32 74.156 0.335 8.575 304 2HD LYS 32 HD1 LYS 32 75.481 -0.211 7.548 305 1HE LYS 32 HE2 LYS 32 76.108 1.774 8.912 306 2HE LYS 32 HE1 LYS 32 76.197 2.096 7.181 307 1HZ LYS 32 HZ3 LYS 32 73.642 2.643 8.471 308 2HZ LYS 32 HZ2 LYS 32 74.927 3.677 8.880 309 3HZ LYS 32 HZ1 LYS 32 74.455 3.505 7.257 310 HA PRO 33 HA PRO 33 68.868 0.041 6.890 311 1HB PRO 33 HB2 PRO 33 66.844 -1.085 5.408 312 2HB PRO 33 HB1 PRO 33 67.439 0.566 5.160 313 1HG PRO 33 HG2 PRO 33 67.917 -1.871 3.509 314 2HG PRO 33 HG1 PRO 33 67.908 -0.168 3.022 315 1HD PRO 33 HD2 PRO 33 70.219 -1.734 3.462 316 2HD PRO 33 HD1 PRO 33 70.168 0.038 3.349 317 H SER 34 HN SER 34 67.654 -1.348 8.328 318 HA SER 34 HA SER 34 68.682 -4.102 8.451 319 1HB SER 34 HB2 SER 34 68.181 -2.247 10.390 320 2HB SER 34 HB1 SER 34 66.723 -3.231 10.466 321 HG SER 34 HG SER 34 69.218 -3.794 11.305 322 H LEU 35 HN LEU 35 67.323 -5.947 8.522 323 HA LEU 35 HA LEU 35 65.038 -5.884 6.781 324 1HB LEU 35 HB2 LEU 35 66.110 -7.896 8.761 325 2HB LEU 35 HB1 LEU 35 64.584 -8.178 7.919 326 HG LEU 35 HG LEU 35 66.696 -7.249 6.120 327 1HD1 LEU 35 HD13 LEU 35 67.097 -9.808 7.693 328 2HD1 LEU 35 HD12 LEU 35 67.888 -9.489 6.149 329 3HD1 LEU 35 HD11 LEU 35 68.219 -8.457 7.540 330 1HD2 LEU 35 HD23 LEU 35 64.763 -9.569 6.260 331 2HD2 LEU 35 HD22 LEU 35 64.719 -8.175 5.180 332 3HD2 LEU 35 HD21 LEU 35 65.945 -9.423 4.959 333 H GLN 36 HN GLN 36 65.525 -5.286 10.159 334 HA GLN 36 HA GLN 36 62.734 -5.577 10.961 335 1HB GLN 36 HB2 GLN 36 64.863 -5.544 12.480 336 2HB GLN 36 HB1 GLN 36 64.726 -3.789 12.354 337 1HG GLN 36 HG2 GLN 36 62.774 -3.711 13.567 338 2HG GLN 36 HG1 GLN 36 62.240 -5.295 13.007 339 1HE2 GLN 36 HE22 GLN 36 63.133 -6.487 16.220 340 2HE2 GLN 36 HE21 GLN 36 61.873 -6.201 15.119 341 H GLN 37 HN GLN 37 64.845 -3.000 9.805 342 HA GLN 37 HA GLN 37 62.975 -0.843 10.135 343 1HB GLN 37 HB2 GLN 37 65.415 -0.503 9.730 344 2HB GLN 37 HB1 GLN 37 65.202 -1.114 8.089 345 1HG GLN 37 HG2 GLN 37 63.477 0.703 7.731 346 2HG GLN 37 HG1 GLN 37 63.958 1.374 9.291 347 1HE2 GLN 37 HE22 GLN 37 66.105 2.384 6.112 348 2HE2 GLN 37 HE21 GLN 37 64.513 1.796 6.060 349 H ILE 38 HN ILE 38 63.426 -3.336 7.677 350 HA ILE 38 HA ILE 38 61.725 -2.065 5.717 351 HB ILE 38 HB ILE 38 62.777 -4.889 6.026 352 1HG1 ILE 38 HG12 ILE 38 64.302 -3.162 5.157 353 2HG1 ILE 38 HG11 ILE 38 63.891 -4.308 3.883 354 1HG2 ILE 38 HG23 ILE 38 60.844 -3.883 3.896 355 2HG2 ILE 38 HG22 ILE 38 61.716 -5.414 3.819 356 3HG2 ILE 38 HG21 ILE 38 60.515 -5.147 5.082 357 1HD1 ILE 38 HD12 ILE 38 61.979 -2.611 3.305 358 2HD1 ILE 38 HD11 ILE 38 62.936 -1.471 4.248 359 3HD1 ILE 38 HD13 ILE 38 63.626 -2.223 2.810 360 H THR 39 HN THR 39 61.253 -4.192 8.456 361 HA THR 39 HA THR 39 58.510 -4.882 7.953 362 HB THR 39 HB THR 39 59.664 -4.462 10.713 363 HG1 THR 39 HG1 THR 39 60.053 -6.653 8.954 364 1HG2 THR 39 HG22 THR 39 57.254 -5.077 10.407 365 2HG2 THR 39 HG21 THR 39 57.778 -6.552 9.595 366 3HG2 THR 39 HG23 THR 39 58.178 -6.291 11.292 367 H HIS 40 HN HIS 40 59.953 -2.323 9.971 368 HA HIS 40 HA HIS 40 57.473 -0.978 10.528 369 1HB HIS 40 HB2 HIS 40 59.676 -0.684 11.785 370 2HB HIS 40 HB1 HIS 40 60.203 0.324 10.436 371 HD1 HIS 40 HD1 HIS 40 58.719 2.495 9.947 372 HD2 HIS 40 HD2 HIS 40 57.937 0.587 13.570 373 HE1 HIS 40 HE1 HIS 40 57.382 4.131 11.343 374 H ILE 41 HN ILE 41 59.492 -1.106 7.729 375 HA ILE 41 HA ILE 41 58.756 1.428 6.561 376 HB ILE 41 HB ILE 41 60.360 -0.846 5.899 377 1HG1 ILE 41 HG12 ILE 41 60.829 0.997 3.896 378 2HG1 ILE 41 HG11 ILE 41 60.119 1.989 5.169 379 1HG2 ILE 41 HG21 ILE 41 58.488 -0.090 3.651 380 2HG2 ILE 41 HG23 ILE 41 59.947 -1.065 3.466 381 3HG2 ILE 41 HG22 ILE 41 58.599 -1.667 4.432 382 1HD1 ILE 41 HD12 ILE 41 62.359 0.026 5.694 383 2HD1 ILE 41 HD11 ILE 41 62.652 1.712 5.268 384 3HD1 ILE 41 HD13 ILE 41 61.784 1.315 6.751 385 H ALA 42 HN ALA 42 57.542 -1.868 6.427 386 HA ALA 42 HA ALA 42 55.417 -1.446 4.604 387 1HB ALA 42 HB1 ALA 42 56.419 -3.657 5.551 388 2HB ALA 42 HB3 ALA 42 55.252 -3.430 6.853 389 3HB ALA 42 HB2 ALA 42 54.694 -3.604 5.189 390 H ASN 43 HN ASN 43 55.367 -1.544 8.161 391 HA ASN 43 HA ASN 43 52.655 -0.656 8.408 392 1HB ASN 43 HB2 ASN 43 54.977 -0.265 10.324 393 2HB ASN 43 HB1 ASN 43 53.270 -0.094 10.732 394 1HD2 ASN 43 HD22 ASN 43 52.764 -3.564 11.125 395 2HD2 ASN 43 HD21 ASN 43 52.105 -2.003 11.231 396 H GLN 44 HN GLN 44 55.587 0.942 7.520 397 HA GLN 44 HA GLN 44 54.896 3.615 8.288 398 1HB GLN 44 HB2 GLN 44 57.079 2.265 7.047 399 2HB GLN 44 HB1 GLN 44 56.626 3.609 6.012 400 1HG GLN 44 HG2 GLN 44 57.260 3.774 8.977 401 2HG GLN 44 HG1 GLN 44 58.324 4.291 7.669 402 1HE2 GLN 44 HE22 GLN 44 56.509 7.329 8.831 403 2HE2 GLN 44 HE21 GLN 44 57.627 6.245 9.508 404 H LEU 45 HN LEU 45 54.370 1.676 5.357 405 HA LEU 45 HA LEU 45 52.568 3.864 4.421 406 1HB LEU 45 HB2 LEU 45 53.202 3.546 2.151 407 2HB LEU 45 HB1 LEU 45 54.699 3.617 3.065 408 HG LEU 45 HG LEU 45 53.396 0.982 2.397 409 1HD1 LEU 45 HD13 LEU 45 54.328 2.812 0.486 410 2HD1 LEU 45 HD12 LEU 45 55.670 1.693 0.718 411 3HD1 LEU 45 HD11 LEU 45 54.085 1.085 0.251 412 1HD2 LEU 45 HD21 LEU 45 55.950 1.979 3.540 413 2HD2 LEU 45 HD23 LEU 45 55.055 0.501 3.891 414 3HD2 LEU 45 HD22 LEU 45 56.064 0.598 2.448 415 H GLY 46 HN GLY 46 52.112 1.288 5.962 416 1HA GLY 46 HA2 GLY 46 50.577 -0.484 6.008 417 2HA GLY 46 HA1 GLY 46 49.538 0.681 5.204 418 H LEU 47 HN LEU 47 52.432 -0.642 3.645 419 HA LEU 47 HA LEU 47 50.605 -1.922 1.668 420 1HB LEU 47 HB2 LEU 47 52.140 -1.546 0.000 421 2HB LEU 47 HB1 LEU 47 52.628 -0.254 1.079 422 HG LEU 47 HG LEU 47 53.916 -2.977 0.829 423 1HD1 LEU 47 HD11 LEU 47 54.274 -0.812 -0.780 424 2HD1 LEU 47 HD13 LEU 47 55.464 -0.475 0.477 425 3HD1 LEU 47 HD12 LEU 47 55.546 -1.982 -0.432 426 1HD2 LEU 47 HD23 LEU 47 54.093 -0.890 2.890 427 2HD2 LEU 47 HD22 LEU 47 54.396 -2.615 3.012 428 3HD2 LEU 47 HD21 LEU 47 55.626 -1.546 2.342 429 H GLU 48 HN GLU 48 51.795 -3.948 0.602 430 HA GLU 48 HA GLU 48 52.216 -5.853 2.820 431 1HB GLU 48 HB2 GLU 48 50.662 -6.243 0.774 432 2HB GLU 48 HB1 GLU 48 52.153 -6.553 -0.116 433 1HG GLU 48 HG2 GLU 48 52.767 -8.310 1.489 434 2HG GLU 48 HG1 GLU 48 51.303 -7.986 2.419 435 H LYS 49 HN LYS 49 54.121 -7.097 2.979 436 HA LYS 49 HA LYS 49 56.583 -5.842 2.390 437 1HB LYS 49 HB2 LYS 49 55.924 -7.890 3.960 438 2HB LYS 49 HB1 LYS 49 56.500 -8.821 2.578 439 1HG LYS 49 HG2 LYS 49 58.248 -6.565 3.344 440 2HG LYS 49 HG1 LYS 49 58.120 -7.836 4.559 441 1HD LYS 49 HD2 LYS 49 58.500 -9.453 2.535 442 2HD LYS 49 HD1 LYS 49 59.147 -8.019 1.739 443 1HE LYS 49 HE2 LYS 49 60.300 -8.022 4.314 444 2HE LYS 49 HE1 LYS 49 60.381 -9.693 3.758 445 1HZ LYS 49 HZ1 LYS 49 61.127 -7.537 1.911 446 2HZ LYS 49 HZ3 LYS 49 62.229 -8.002 3.114 447 3HZ LYS 49 HZ2 LYS 49 61.682 -9.142 1.979 448 H ASP 50 HN ASP 50 54.565 -7.790 0.328 449 HA ASP 50 HA ASP 50 56.665 -8.613 -1.487 450 1HB ASP 50 HB2 ASP 50 53.677 -8.397 -1.958 451 2HB ASP 50 HB1 ASP 50 54.824 -9.279 -2.968 452 H VAL 51 HN VAL 51 54.400 -5.837 -1.400 453 HA VAL 51 HA VAL 51 55.402 -4.893 -4.002 454 HB VAL 51 HB VAL 51 53.055 -4.470 -3.342 455 1HG1 VAL 51 HG11 VAL 51 54.372 -3.508 -0.926 456 2HG1 VAL 51 HG13 VAL 51 53.216 -2.334 -1.552 457 3HG1 VAL 51 HG12 VAL 51 52.692 -3.974 -1.171 458 1HG2 VAL 51 HG23 VAL 51 54.723 -2.758 -4.628 459 2HG2 VAL 51 HG22 VAL 51 53.004 -2.438 -4.397 460 3HG2 VAL 51 HG21 VAL 51 54.189 -1.724 -3.303 461 H VAL 52 HN VAL 52 56.237 -4.548 -0.650 462 HA VAL 52 HA VAL 52 57.705 -2.056 -1.001 463 HB VAL 52 HB VAL 52 56.638 -3.243 1.182 464 1HG1 VAL 52 HG12 VAL 52 59.570 -3.986 1.334 465 2HG1 VAL 52 HG11 VAL 52 58.411 -4.088 2.659 466 3HG1 VAL 52 HG13 VAL 52 58.223 -5.118 1.241 467 1HG2 VAL 52 HG23 VAL 52 57.775 -0.924 0.731 468 2HG2 VAL 52 HG22 VAL 52 57.586 -1.501 2.384 469 3HG2 VAL 52 HG21 VAL 52 59.145 -1.647 1.575 470 NH1 ARG 53 NH1 ARG 53 59.922 -10.402 -3.874 471 NH2 ARG 53 NH2 ARG 53 61.989 -11.269 -4.164 472 H ARG 53 HN ARG 53 58.373 -5.495 -1.199 473 HA ARG 53 HA ARG 53 61.273 -5.189 -1.258 474 1HB ARG 53 HB2 ARG 53 59.733 -7.295 -0.714 475 2HB ARG 53 HB1 ARG 53 59.904 -7.571 -2.446 476 1HG ARG 53 HG2 ARG 53 62.459 -6.870 -1.215 477 2HG ARG 53 HG1 ARG 53 61.743 -8.294 -0.463 478 1HD ARG 53 HD2 ARG 53 61.823 -8.063 -3.460 479 2HD ARG 53 HD1 ARG 53 63.249 -8.607 -2.577 480 HE ARG 53 HE ARG 53 61.494 -10.305 -1.543 481 1HH1 ARG 53 HH11 ARG 53 59.289 -9.826 -3.356 482 2HH1 ARG 53 HH12 ARG 53 59.603 -10.889 -4.687 483 1HH2 ARG 53 HH21 ARG 53 62.940 -11.358 -3.868 484 2HH2 ARG 53 HH22 ARG 53 61.671 -11.756 -4.978 485 H VAL 54 HN VAL 54 58.737 -5.782 -3.711 486 HA VAL 54 HA VAL 54 60.540 -5.748 -5.958 487 HB VAL 54 HB VAL 54 57.586 -5.046 -5.898 488 1HG1 VAL 54 HG12 VAL 54 59.559 -5.733 -8.072 489 2HG1 VAL 54 HG11 VAL 54 57.840 -6.068 -8.283 490 3HG1 VAL 54 HG13 VAL 54 58.390 -4.414 -8.019 491 1HG2 VAL 54 HG21 VAL 54 58.199 -7.288 -4.894 492 2HG2 VAL 54 HG23 VAL 54 57.165 -7.387 -6.319 493 3HG2 VAL 54 HG22 VAL 54 58.890 -7.726 -6.456 494 CH2 TRP 55 CH2 TRP 55 61.268 3.431 -1.912 495 H TRP 55 HN TRP 55 58.821 -3.252 -4.175 496 HA TRP 55 HA TRP 55 59.382 -1.119 -6.066 497 1HB TRP 55 HB2 TRP 55 57.515 -0.887 -4.508 498 2HB TRP 55 HB1 TRP 55 58.588 -1.100 -3.130 499 HD1 TRP 55 HD1 TRP 55 57.369 1.515 -5.616 500 HE1 TRP 55 HE1 TRP 55 58.291 3.791 -4.923 501 HE3 TRP 55 HE3 TRP 55 60.705 0.098 -2.002 502 HZ2 TRP 55 HZ2 TRP 55 60.259 4.890 -3.133 503 HZ3 TRP 55 HZ3 TRP 55 62.090 1.765 -0.836 504 HH2 TRP 55 HH2 TRP 55 61.879 4.155 -1.402 505 H PHE 56 HN PHE 56 61.042 -2.515 -3.268 506 HA PHE 56 HA PHE 56 63.139 -0.455 -3.507 507 1HB PHE 56 HB2 PHE 56 62.278 -1.501 -1.256 508 2HB PHE 56 HB1 PHE 56 63.405 -2.800 -1.656 509 HD1 PHE 56 HD2 PHE 56 63.500 0.931 -2.097 510 HD2 PHE 56 HD1 PHE 56 65.421 -2.547 -0.469 511 HE1 PHE 56 HE2 PHE 56 65.386 2.333 -1.345 512 HE2 PHE 56 HE1 PHE 56 67.319 -1.136 0.283 513 HZ PHE 56 HZ PHE 56 67.296 1.309 -0.162 514 H CYS 57 HN CYS 57 62.438 -3.300 -5.098 515 HA CYS 57 HA CYS 57 65.145 -4.380 -5.260 516 1HB CYS 57 HB2 CYS 57 62.849 -5.582 -5.748 517 2HB CYS 57 HB1 CYS 57 63.024 -4.859 -7.347 518 HG CYS 57 HG CYS 57 65.185 -6.214 -7.722 519 H ASN 58 HN ASN 58 63.095 -2.177 -7.079 520 HA ASN 58 HA ASN 58 65.119 -1.748 -9.167 521 1HB ASN 58 HB2 ASN 58 62.500 -1.518 -9.347 522 2HB ASN 58 HB1 ASN 58 62.780 0.081 -8.659 523 1HD2 ASN 58 HD22 ASN 58 63.063 0.873 -12.170 524 2HD2 ASN 58 HD21 ASN 58 61.925 0.745 -10.918 525 NH1 ARG 59 NH1 ARG 59 64.991 4.427 -7.691 526 NH2 ARG 59 NH2 ARG 59 63.051 4.282 -8.842 527 H ARG 59 HN ARG 59 63.957 -0.247 -6.192 528 HA ARG 59 HA ARG 59 65.465 2.206 -6.468 529 1HB ARG 59 HB2 ARG 59 63.614 1.091 -4.614 530 2HB ARG 59 HB1 ARG 59 65.056 1.524 -3.696 531 1HG ARG 59 HG2 ARG 59 63.771 3.485 -3.675 532 2HG ARG 59 HG1 ARG 59 64.940 3.770 -4.963 533 1HD ARG 59 HD2 ARG 59 62.107 2.766 -5.356 534 2HD ARG 59 HD1 ARG 59 62.657 4.413 -5.653 535 HE ARG 59 HE ARG 59 63.342 2.047 -7.302 536 1HH1 ARG 59 HH11 ARG 59 65.570 4.136 -6.929 537 2HH1 ARG 59 HH12 ARG 59 65.318 5.124 -8.329 538 1HH2 ARG 59 HH21 ARG 59 62.144 3.880 -8.963 539 2HH2 ARG 59 HH22 ARG 59 63.378 4.981 -9.479 540 NH1 ARG 60 NH2 ARG 60 70.957 -4.435 -4.040 541 NH2 ARG 60 NH1 ARG 60 70.000 -5.477 -2.277 542 H ARG 60 HN ARG 60 66.344 -1.022 -5.438 543 HA ARG 60 HA ARG 60 68.805 -0.027 -4.139 544 1HB ARG 60 HB2 ARG 60 69.275 -2.376 -3.632 545 2HB ARG 60 HB1 ARG 60 67.629 -1.973 -3.157 546 1HG ARG 60 HG2 ARG 60 66.788 -2.964 -5.266 547 2HG ARG 60 HG1 ARG 60 68.439 -3.392 -5.713 548 1HD ARG 60 HD2 ARG 60 67.535 -4.274 -3.020 549 2HD ARG 60 HD1 ARG 60 66.799 -5.091 -4.398 550 HE ARG 60 HE ARG 60 68.910 -6.058 -4.905 551 1HH1 ARG 60 HH21 ARG 60 70.920 -4.132 -4.992 552 2HH1 ARG 60 HH22 ARG 60 71.767 -4.243 -3.485 553 1HH2 ARG 60 HH11 ARG 60 69.229 -5.972 -1.878 554 2HH2 ARG 60 HH12 ARG 60 70.811 -5.284 -1.724 555 H GLN 61 HN GLN 61 67.772 -1.260 -7.227 556 HA GLN 61 HA GLN 61 70.626 -1.385 -8.090 557 1HB GLN 61 HB2 GLN 61 69.886 -2.798 -9.951 558 2HB GLN 61 HB1 GLN 61 69.337 -3.492 -8.427 559 1HG GLN 61 HG2 GLN 61 67.179 -2.013 -8.934 560 2HG GLN 61 HG1 GLN 61 67.748 -2.172 -10.594 561 1HE2 GLN 61 HE22 GLN 61 65.823 -5.182 -10.511 562 2HE2 GLN 61 HE21 GLN 61 65.816 -3.560 -11.011 563 H LYS 62 HN LYS 62 69.644 1.107 -7.799 564 HA LYS 62 HA LYS 62 68.482 2.083 -10.297 565 1HB LYS 62 HB2 LYS 62 68.787 4.311 -9.243 566 2HB LYS 62 HB1 LYS 62 67.936 3.184 -8.189 567 1HG LYS 62 HG2 LYS 62 69.712 2.992 -6.723 568 2HG LYS 62 HG1 LYS 62 70.913 3.330 -7.967 569 1HD LYS 62 HD2 LYS 62 70.113 5.702 -8.028 570 2HD LYS 62 HD1 LYS 62 69.048 5.334 -6.670 571 1HE LYS 62 HE2 LYS 62 71.909 4.571 -6.365 572 2HE LYS 62 HE1 LYS 62 71.539 6.295 -6.324 573 1HZ LYS 62 HZ1 LYS 62 69.745 5.678 -4.679 574 2HZ LYS 62 HZ3 LYS 62 70.490 4.159 -4.568 575 3HZ LYS 62 HZ2 LYS 62 71.347 5.558 -4.127 576 H GLY 63 HN GLY 63 71.682 1.630 -8.979 577 1HA GLY 63 HA2 GLY 63 73.348 1.565 -10.986 578 2HA GLY 63 HA1 GLY 63 72.867 3.252 -11.180 579 H LYS 64 HN LYS 64 73.955 1.080 -8.547 580 HA LYS 64 HA LYS 64 75.324 3.366 -7.260 581 1HB LYS 64 HB2 LYS 64 73.919 1.582 -6.018 582 2HB LYS 64 HB1 LYS 64 75.305 0.521 -6.264 583 1HG LYS 64 HG2 LYS 64 76.092 1.411 -4.332 584 2HG LYS 64 HG1 LYS 64 76.513 2.807 -5.322 585 1HD LYS 64 HD2 LYS 64 75.202 3.962 -3.863 586 2HD LYS 64 HD1 LYS 64 73.867 3.303 -4.808 587 1HE LYS 64 HE2 LYS 64 74.031 1.255 -3.225 588 2HE LYS 64 HE1 LYS 64 74.973 2.319 -2.181 589 1HZ LYS 64 HZ1 LYS 64 72.406 3.267 -3.248 590 2HZ LYS 64 HZ3 LYS 64 72.401 2.184 -1.942 591 3HZ LYS 64 HZ2 LYS 64 73.193 3.680 -1.800 592 NH1 ARG 65 NH2 ARG 65 78.863 -1.201 -2.268 593 NH2 ARG 65 NH1 ARG 65 79.462 -3.243 -3.028 594 H ARG 65 HN ARG 65 76.226 -0.003 -7.993 595 HA ARG 65 HA ARG 65 79.009 0.966 -8.445 596 1HB ARG 65 HB2 ARG 65 77.839 -1.569 -7.390 597 2HB ARG 65 HB1 ARG 65 79.336 -1.691 -8.314 598 1HG ARG 65 HG2 ARG 65 80.468 -0.167 -6.829 599 2HG ARG 65 HG1 ARG 65 78.961 0.228 -6.001 600 1HD ARG 65 HD2 ARG 65 79.654 -2.654 -6.082 601 2HD ARG 65 HD1 ARG 65 80.713 -1.642 -5.099 602 HE ARG 65 HE ARG 65 77.787 -1.385 -4.677 603 1HH1 ARG 65 HH21 ARG 65 78.515 -0.280 -2.443 604 2HH1 ARG 65 HH22 ARG 65 79.100 -1.477 -1.336 605 1HH2 ARG 65 HH11 ARG 65 79.574 -3.887 -3.786 606 2HH2 ARG 65 HH12 ARG 65 79.700 -3.521 -2.098 607 H SER 66 HN SER 66 79.963 0.645 -10.426 608 HA SER 66 HA SER 66 78.846 -1.236 -12.375 609 1HB SER 66 HB2 SER 66 78.531 1.750 -12.666 610 2HB SER 66 HB1 SER 66 78.620 0.705 -14.081 611 HG SER 66 HG SER 66 76.761 -0.245 -13.510 612 H SER 67 HN SER 67 81.175 -1.819 -11.767 613 HA SER 67 HA SER 67 83.166 -0.163 -13.243 614 1HB SER 67 HB2 SER 67 83.302 -2.051 -10.941 615 2HB SER 67 HB1 SER 67 84.695 -1.997 -12.015 616 HG SER 67 HG SER 67 84.338 -0.398 -10.103 Start of MODEL 6 Raw file had 616 H/Q atoms Start of MODEL 6 1 1H MET 1 HT3 MET 1 85.283 12.954 -6.260 2 2H MET 1 HT2 MET 1 86.438 13.650 -7.294 3 3H MET 1 HT1 MET 1 86.580 13.833 -5.611 4 HA MET 1 HA MET 1 85.731 15.868 -6.263 5 1HB MET 1 HB2 MET 1 85.093 14.602 -8.579 6 2HB MET 1 HB1 MET 1 83.487 14.774 -7.872 7 1HG MET 1 HG2 MET 1 85.329 17.137 -7.846 8 2HG MET 1 HG1 MET 1 84.510 16.716 -9.350 9 1HE MET 1 HE1 MET 1 84.407 19.203 -8.290 10 2HE MET 1 HE3 MET 1 82.776 19.780 -7.917 11 3HE MET 1 HE2 MET 1 83.881 19.350 -6.615 12 H GLU 2 HN GLU 2 83.075 13.472 -6.408 13 HA GLU 2 HA GLU 2 81.832 14.841 -4.075 14 1HB GLU 2 HB2 GLU 2 80.801 13.090 -6.291 15 2HB GLU 2 HB1 GLU 2 79.894 13.202 -4.782 16 1HG GLU 2 HG2 GLU 2 80.836 15.734 -6.076 17 2HG GLU 2 HG1 GLU 2 79.432 14.909 -6.756 18 H THR 3 HN THR 3 83.817 13.619 -2.993 19 HA THR 3 HA THR 3 83.115 10.806 -2.360 20 HB THR 3 HB THR 3 85.384 11.136 -1.017 21 HG1 THR 3 HG1 THR 3 86.511 12.823 -1.618 22 1HG2 THR 3 HG21 THR 3 85.147 10.911 -4.027 23 2HG2 THR 3 HG23 THR 3 86.602 10.513 -3.113 24 3HG2 THR 3 HG22 THR 3 85.123 9.584 -2.866 25 H LEU 4 HN LEU 4 82.102 10.316 -0.482 26 HA LEU 4 HA LEU 4 82.045 12.398 1.669 27 1HB LEU 4 HB2 LEU 4 79.947 10.722 0.443 28 2HB LEU 4 HB1 LEU 4 79.916 10.732 2.206 29 HG LEU 4 HG LEU 4 80.293 13.366 0.878 30 1HD1 LEU 4 HD12 LEU 4 78.406 11.846 -0.279 31 2HD1 LEU 4 HD11 LEU 4 77.478 12.411 1.111 32 3HD1 LEU 4 HD13 LEU 4 78.180 13.575 -0.012 33 1HD2 LEU 4 HD21 LEU 4 79.989 12.667 3.422 34 2HD2 LEU 4 HD23 LEU 4 79.270 14.156 2.810 35 3HD2 LEU 4 HD22 LEU 4 78.277 12.710 2.999 36 H VAL 5 HN VAL 5 81.360 11.128 3.856 37 HA VAL 5 HA VAL 5 82.996 8.642 4.048 38 HB VAL 5 HB VAL 5 83.090 10.892 6.076 39 1HG1 VAL 5 HG13 VAL 5 83.579 8.306 6.541 40 2HG1 VAL 5 HG12 VAL 5 85.135 8.727 5.825 41 3HG1 VAL 5 HG11 VAL 5 84.568 9.573 7.265 42 1HG2 VAL 5 HG22 VAL 5 84.141 11.566 3.932 43 2HG2 VAL 5 HG21 VAL 5 85.349 11.345 5.197 44 3HG2 VAL 5 HG23 VAL 5 85.126 10.103 3.964 45 H GLN 6 HN GLN 6 80.673 10.769 5.701 46 HA GLN 6 HA GLN 6 79.545 8.350 7.048 47 1HB GLN 6 HB2 GLN 6 80.401 10.402 8.396 48 2HB GLN 6 HB1 GLN 6 78.932 11.197 7.829 49 1HG GLN 6 HG2 GLN 6 78.304 10.234 9.898 50 2HG GLN 6 HG1 GLN 6 77.691 9.103 8.691 51 1HE2 GLN 6 HE22 GLN 6 79.366 6.641 10.643 52 2HE2 GLN 6 HE21 GLN 6 77.856 7.300 10.236 53 H ALA 7 HN ALA 7 77.968 7.611 5.654 54 HA ALA 7 HA ALA 7 76.361 9.280 3.979 55 1HB ALA 7 HB1 ALA 7 76.745 6.824 3.627 56 2HB ALA 7 HB3 ALA 7 75.698 6.507 5.010 57 3HB ALA 7 HB2 ALA 7 75.043 7.281 3.566 58 NH1 ARG 8 NH2 ARG 8 71.761 12.411 9.523 59 NH2 ARG 8 NH1 ARG 8 70.472 14.266 9.451 60 H ARG 8 HN ARG 8 73.777 8.819 4.322 61 HA ARG 8 HA ARG 8 73.165 10.130 6.886 62 1HB ARG 8 HB2 ARG 8 72.277 11.004 4.675 63 2HB ARG 8 HB1 ARG 8 71.270 9.558 4.598 64 1HG ARG 8 HG2 ARG 8 69.839 11.111 5.618 65 2HG ARG 8 HG1 ARG 8 70.519 10.253 7.002 66 1HD ARG 8 HD2 ARG 8 72.285 12.044 7.148 67 2HD ARG 8 HD1 ARG 8 71.406 12.935 5.906 68 HE ARG 8 HE ARG 8 69.440 12.851 7.573 69 1HH1 ARG 8 HH21 ARG 8 72.071 11.556 9.108 70 2HH1 ARG 8 HH22 ARG 8 72.127 12.700 10.407 71 1HH2 ARG 8 HH11 ARG 8 69.795 14.832 8.981 72 2HH2 ARG 8 HH12 ARG 8 70.839 14.556 10.335 73 H LYS 9 HN LYS 9 72.113 7.318 4.973 74 HA LYS 9 HA LYS 9 71.685 5.767 7.392 75 1HB LYS 9 HB2 LYS 9 69.461 7.162 6.126 76 2HB LYS 9 HB1 LYS 9 69.203 5.418 6.120 77 1HG LYS 9 HG2 LYS 9 69.060 5.292 8.403 78 2HG LYS 9 HG1 LYS 9 70.229 6.589 8.653 79 1HD LYS 9 HD2 LYS 9 68.503 8.231 7.886 80 2HD LYS 9 HD1 LYS 9 67.339 6.910 7.792 81 1HE LYS 9 HE2 LYS 9 66.877 7.276 9.968 82 2HE LYS 9 HE1 LYS 9 68.490 6.674 10.348 83 1HZ LYS 9 HZ2 LYS 9 69.179 9.083 9.722 84 2HZ LYS 9 HZ1 LYS 9 67.555 9.445 10.068 85 3HZ LYS 9 HZ3 LYS 9 68.543 8.758 11.263 86 NH1 ARG 10 NH2 ARG 10 71.982 -2.175 4.138 87 NH2 ARG 10 NH1 ARG 10 73.509 -1.261 2.744 88 H ARG 10 HN ARG 10 70.486 5.764 4.013 89 HA ARG 10 HA ARG 10 72.245 3.565 3.303 90 1HB ARG 10 HB2 ARG 10 69.671 2.964 4.391 91 2HB ARG 10 HB1 ARG 10 69.624 2.575 2.673 92 1HG ARG 10 HG2 ARG 10 71.973 1.704 4.339 93 2HG ARG 10 HG1 ARG 10 70.479 0.767 4.366 94 1HD ARG 10 HD2 ARG 10 70.800 1.158 1.677 95 2HD ARG 10 HD1 ARG 10 72.478 1.058 2.211 96 HE ARG 10 HE ARG 10 70.538 -1.130 2.220 97 1HH1 ARG 10 HH21 ARG 10 71.035 -2.260 4.450 98 2HH1 ARG 10 HH22 ARG 10 72.704 -2.705 4.581 99 1HH2 ARG 10 HH11 ARG 10 73.733 -0.645 1.988 100 2HH2 ARG 10 HH12 ARG 10 74.231 -1.792 3.188 101 H LYS 11 HN LYS 11 69.108 4.978 2.304 102 HA LYS 11 HA LYS 11 70.299 6.071 -0.120 103 1HB LYS 11 HB2 LYS 11 69.622 3.499 -0.409 104 2HB LYS 11 HB1 LYS 11 68.027 4.208 -0.652 105 1HG LYS 11 HG2 LYS 11 68.590 5.098 -2.667 106 2HG LYS 11 HG1 LYS 11 70.191 5.585 -2.110 107 1HD LYS 11 HD2 LYS 11 71.163 3.591 -2.721 108 2HD LYS 11 HD1 LYS 11 69.696 2.662 -2.414 109 1HE LYS 11 HE2 LYS 11 69.941 4.608 -4.717 110 2HE LYS 11 HE1 LYS 11 70.349 2.899 -4.865 111 1HZ LYS 11 HZ3 LYS 11 68.022 2.558 -3.835 112 2HZ LYS 11 HZ2 LYS 11 67.731 4.146 -4.367 113 3HZ LYS 11 HZ1 LYS 11 68.149 2.936 -5.483 114 NH1 ARG 12 NH2 ARG 12 68.632 12.855 -1.851 115 NH2 ARG 12 NH1 ARG 12 68.113 14.253 -0.154 116 H ARG 12 HN ARG 12 68.922 7.661 -1.063 117 HA ARG 12 HA ARG 12 66.153 7.931 -0.160 118 1HB ARG 12 HB2 ARG 12 66.537 10.196 0.855 119 2HB ARG 12 HB1 ARG 12 67.250 8.879 1.786 120 1HG ARG 12 HG2 ARG 12 69.391 9.542 1.337 121 2HG ARG 12 HG1 ARG 12 68.996 10.058 -0.302 122 1HD ARG 12 HD2 ARG 12 67.580 11.859 1.251 123 2HD ARG 12 HD1 ARG 12 69.059 11.621 2.182 124 HE ARG 12 HE ARG 12 70.334 12.400 0.238 125 1HH1 ARG 12 HH21 ARG 12 69.081 12.025 -2.184 126 2HH1 ARG 12 HH22 ARG 12 68.132 13.442 -2.487 127 1HH2 ARG 12 HH11 ARG 12 68.163 14.496 0.815 128 2HH2 ARG 12 HH12 ARG 12 67.614 14.840 -0.791 129 H THR 13 HN THR 13 67.386 7.697 -2.737 130 HA THR 13 HA THR 13 67.540 10.353 -3.948 131 HB THR 13 HB THR 13 67.102 7.793 -5.482 132 HG1 THR 13 HG1 THR 13 68.733 7.159 -4.231 133 1HG2 THR 13 HG21 THR 13 68.577 10.392 -5.953 134 2HG2 THR 13 HG23 THR 13 68.760 8.985 -7.000 135 3HG2 THR 13 HG22 THR 13 67.187 9.764 -6.837 136 H SER 14 HN SER 14 65.147 7.797 -3.593 137 HA SER 14 HA SER 14 63.001 9.698 -4.119 138 1HB SER 14 HB2 SER 14 63.627 8.967 -6.423 139 2HB SER 14 HB1 SER 14 63.305 7.300 -5.952 140 HG SER 14 HG SER 14 61.590 9.196 -6.742 141 H ILE 15 HN ILE 15 63.966 7.891 -2.010 142 HA ILE 15 HA ILE 15 61.383 6.689 -1.305 143 HB ILE 15 HB ILE 15 63.886 5.008 -1.669 144 1HG1 ILE 15 HG12 ILE 15 62.478 5.275 -3.688 145 2HG1 ILE 15 HG11 ILE 15 62.421 3.623 -3.088 146 1HG2 ILE 15 HG22 ILE 15 61.431 4.566 -0.002 147 2HG2 ILE 15 HG21 ILE 15 62.157 3.182 -0.817 148 3HG2 ILE 15 HG23 ILE 15 63.104 4.124 0.335 149 1HD1 ILE 15 HD13 ILE 15 60.342 5.071 -1.763 150 2HD1 ILE 15 HD12 ILE 15 60.228 5.431 -3.486 151 3HD1 ILE 15 HD11 ILE 15 60.183 3.760 -2.930 152 H GLU 16 HN GLU 16 61.704 8.479 0.253 153 HA GLU 16 HA GLU 16 63.864 8.559 2.109 154 1HB GLU 16 HB2 GLU 16 61.068 9.639 2.052 155 2HB GLU 16 HB1 GLU 16 61.951 9.661 3.579 156 1HG GLU 16 HG2 GLU 16 63.885 10.653 2.054 157 2HG GLU 16 HG1 GLU 16 62.526 11.128 1.035 158 H ASN 17 HN ASN 17 63.955 7.686 4.245 159 HA ASN 17 HA ASN 17 62.977 5.032 4.527 160 1HB ASN 17 HB2 ASN 17 64.172 7.023 6.446 161 2HB ASN 17 HB1 ASN 17 63.542 5.490 7.049 162 1HD2 ASN 17 HD22 ASN 17 67.155 5.542 5.328 163 2HD2 ASN 17 HD21 ASN 17 66.328 6.945 5.807 164 NH1 ARG 18 NH2 ARG 18 61.210 9.590 11.500 165 NH2 ARG 18 NH1 ARG 18 63.129 10.506 10.732 166 H ARG 18 HN ARG 18 61.490 8.089 5.240 167 HA ARG 18 HA ARG 18 59.431 6.886 6.955 168 1HB ARG 18 HB2 ARG 18 60.206 9.614 6.103 169 2HB ARG 18 HB1 ARG 18 58.470 9.366 6.296 170 1HG ARG 18 HG2 ARG 18 59.118 9.986 8.459 171 2HG ARG 18 HG1 ARG 18 59.143 8.226 8.555 172 1HD ARG 18 HD2 ARG 18 61.351 8.223 9.000 173 2HD ARG 18 HD1 ARG 18 61.691 9.214 7.582 174 HE ARG 18 HE ARG 18 61.101 11.204 9.059 175 1HH1 ARG 18 HH21 ARG 18 60.264 9.305 11.345 176 2HH1 ARG 18 HH22 ARG 18 61.631 9.459 12.397 177 1HH2 ARG 18 HH11 ARG 18 63.653 10.922 9.989 178 2HH2 ARG 18 HH12 ARG 18 63.551 10.375 11.629 179 H VAL 19 HN VAL 19 59.899 7.763 3.582 180 HA VAL 19 HA VAL 19 57.131 7.644 2.846 181 HB VAL 19 HB VAL 19 59.332 8.451 1.484 182 1HG1 VAL 19 HG12 VAL 19 58.678 5.729 0.308 183 2HG1 VAL 19 HG11 VAL 19 59.683 6.957 -0.451 184 3HG1 VAL 19 HG13 VAL 19 60.211 6.193 1.046 185 1HG2 VAL 19 HG23 VAL 19 56.670 7.444 0.464 186 2HG2 VAL 19 HG22 VAL 19 57.114 9.100 0.875 187 3HG2 VAL 19 HG21 VAL 19 57.799 8.333 -0.558 188 NH1 ARG 20 NH1 ARG 20 64.323 1.552 0.215 189 NH2 ARG 20 NH2 ARG 20 64.732 1.592 2.437 190 H ARG 20 HN ARG 20 59.727 5.206 2.773 191 HA ARG 20 HA ARG 20 58.113 3.092 1.738 192 1HB ARG 20 HB2 ARG 20 60.758 3.385 2.859 193 2HB ARG 20 HB1 ARG 20 59.992 1.949 3.532 194 1HG ARG 20 HG2 ARG 20 59.439 1.190 1.230 195 2HG ARG 20 HG1 ARG 20 60.284 2.598 0.584 196 1HD ARG 20 HD2 ARG 20 61.549 0.488 2.358 197 2HD ARG 20 HD1 ARG 20 61.723 0.566 0.604 198 HE ARG 20 HE ARG 20 62.486 3.050 1.919 199 1HH1 ARG 20 HH11 ARG 20 63.694 1.679 -0.552 200 2HH1 ARG 20 HH12 ARG 20 65.267 1.269 0.046 201 1HH2 ARG 20 HH21 ARG 20 64.416 1.749 3.373 202 2HH2 ARG 20 HH22 ARG 20 65.676 1.308 2.269 203 CH2 TRP 21 CH2 TRP 21 59.788 -1.868 6.052 204 H TRP 21 HN TRP 21 58.861 3.862 5.159 205 HA TRP 21 HA TRP 21 56.991 1.821 5.989 206 1HB TRP 21 HB2 TRP 21 58.810 3.657 7.365 207 2HB TRP 21 HB1 TRP 21 57.265 3.485 8.211 208 HD1 TRP 21 HD1 TRP 21 57.892 1.732 10.069 209 HE1 TRP 21 HE1 TRP 21 58.671 -0.733 9.995 210 HE3 TRP 21 HE3 TRP 21 59.027 1.292 5.118 211 HZ2 TRP 21 HZ2 TRP 21 59.626 -2.640 8.045 212 HZ3 TRP 21 HZ3 TRP 21 59.840 -0.815 4.170 213 HH2 TRP 21 HH2 TRP 21 60.132 -2.802 5.634 214 H SER 22 HN SER 22 56.550 4.897 4.675 215 HA SER 22 HA SER 22 54.023 5.526 5.954 216 1HB SER 22 HB2 SER 22 55.731 6.688 3.903 217 2HB SER 22 HB1 SER 22 54.062 6.625 3.344 218 HG SER 22 HG SER 22 53.659 8.203 4.655 219 H LEU 23 HN LEU 23 55.213 3.785 3.101 220 HA LEU 23 HA LEU 23 52.761 3.054 1.851 221 1HB LEU 23 HB2 LEU 23 55.240 1.332 2.253 222 2HB LEU 23 HB1 LEU 23 53.969 1.005 1.102 223 HG LEU 23 HG LEU 23 55.394 3.632 0.952 224 1HD1 LEU 23 HD11 LEU 23 56.916 1.418 1.110 225 2HD1 LEU 23 HD13 LEU 23 56.453 1.295 -0.587 226 3HD1 LEU 23 HD12 LEU 23 57.302 2.725 -0.006 227 1HD2 LEU 23 HD21 LEU 23 53.766 1.824 -0.783 228 2HD2 LEU 23 HD23 LEU 23 53.775 3.586 -0.703 229 3HD2 LEU 23 HD22 LEU 23 55.049 2.737 -1.576 230 H GLU 24 HN GLU 24 54.605 1.650 4.500 231 HA GLU 24 HA GLU 24 53.009 -0.616 5.081 232 1HB GLU 24 HB2 GLU 24 55.255 0.205 6.130 233 2HB GLU 24 HB1 GLU 24 54.216 1.054 7.275 234 1HG GLU 24 HG2 GLU 24 53.013 -1.228 7.550 235 2HG GLU 24 HG1 GLU 24 54.454 -1.912 6.796 236 H THR 25 HN THR 25 52.783 2.626 6.566 237 HA THR 25 HA THR 25 50.558 2.162 8.219 238 HB THR 25 HB THR 25 51.114 4.743 6.739 239 HG1 THR 25 HG1 THR 25 52.232 3.761 9.152 240 1HG2 THR 25 HG23 THR 25 49.001 4.567 8.074 241 2HG2 THR 25 HG22 THR 25 49.980 4.221 9.499 242 3HG2 THR 25 HG21 THR 25 50.119 5.783 8.693 243 H MET 26 HN MET 26 50.664 2.676 4.741 244 HA MET 26 HA MET 26 47.746 3.119 4.608 245 1HB MET 26 HB2 MET 26 49.964 3.012 2.575 246 2HB MET 26 HB1 MET 26 48.272 3.000 2.076 247 1HG MET 26 HG2 MET 26 47.874 5.146 2.892 248 2HG MET 26 HG1 MET 26 49.207 5.064 4.045 249 1HE MET 26 HE1 MET 26 48.715 7.566 2.429 250 2HE MET 26 HE3 MET 26 50.149 7.385 3.450 251 3HE MET 26 HE2 MET 26 50.306 7.989 1.802 252 H PHE 27 HN PHE 27 49.967 0.423 4.216 253 HA PHE 27 HA PHE 27 47.892 -1.212 2.904 254 1HB PHE 27 HB2 PHE 27 50.804 -1.671 3.550 255 2HB PHE 27 HB1 PHE 27 49.745 -2.996 3.085 256 HD1 PHE 27 HD1 PHE 27 48.241 -2.588 0.965 257 HD2 PHE 27 HD2 PHE 27 51.828 -0.402 1.852 258 HE1 PHE 27 HE1 PHE 27 48.435 -1.931 -1.418 259 HE2 PHE 27 HE2 PHE 27 52.024 0.250 -0.526 260 HZ PHE 27 HZ PHE 27 50.328 -0.513 -2.159 261 H LEU 28 HN LEU 28 48.847 -0.554 6.115 262 HA LEU 28 HA LEU 28 48.237 -3.189 7.189 263 1HB LEU 28 HB2 LEU 28 48.577 -0.484 8.506 264 2HB LEU 28 HB1 LEU 28 48.341 -1.995 9.392 265 HG LEU 28 HG LEU 28 50.515 -1.701 7.319 266 1HD1 LEU 28 HD11 LEU 28 50.596 -1.005 10.261 267 2HD1 LEU 28 HD13 LEU 28 52.044 -1.344 9.314 268 3HD1 LEU 28 HD12 LEU 28 51.019 0.029 8.896 269 1HD2 LEU 28 HD22 LEU 28 49.535 -3.906 8.571 270 2HD2 LEU 28 HD21 LEU 28 51.208 -3.755 8.035 271 3HD2 LEU 28 HD23 LEU 28 50.788 -3.425 9.715 272 H LYS 29 HN LYS 29 46.378 -0.402 6.288 273 HA LYS 29 HA LYS 29 44.019 -1.399 7.806 274 1HB LYS 29 HB2 LYS 29 44.109 0.935 8.096 275 2HB LYS 29 HB1 LYS 29 44.717 1.212 6.468 276 1HG LYS 29 HG2 LYS 29 42.579 0.969 5.489 277 2HG LYS 29 HG1 LYS 29 41.938 0.096 6.880 278 1HD LYS 29 HD2 LYS 29 42.485 2.358 8.151 279 2HD LYS 29 HD1 LYS 29 42.376 3.044 6.530 280 1HE LYS 29 HE2 LYS 29 40.160 1.437 6.567 281 2HE LYS 29 HE1 LYS 29 40.245 1.938 8.254 282 1HZ LYS 29 HZ2 LYS 29 40.680 4.071 6.347 283 2HZ LYS 29 HZ1 LYS 29 39.128 3.382 6.288 284 3HZ LYS 29 HZ3 LYS 29 39.709 4.034 7.741 285 H CYS 30 HN CYS 30 45.354 -1.038 4.581 286 HA CYS 30 HA CYS 30 42.825 -2.153 3.469 287 1HB CYS 30 HB2 CYS 30 44.938 -0.341 2.341 288 2HB CYS 30 HB1 CYS 30 43.940 -1.311 1.258 289 HG CYS 30 HG CYS 30 42.993 1.217 2.248 290 HA PRO 31 HA PRO 31 45.760 -5.604 2.776 291 1HB PRO 31 HB2 PRO 31 44.024 -7.582 3.538 292 2HB PRO 31 HB1 PRO 31 45.061 -6.729 4.695 293 1HG PRO 31 HG2 PRO 31 42.129 -6.465 4.256 294 2HG PRO 31 HG1 PRO 31 43.079 -6.129 5.712 295 1HD PRO 31 HD2 PRO 31 42.090 -4.208 3.860 296 2HD PRO 31 HD1 PRO 31 43.248 -3.915 5.173 297 H LYS 32 HN LYS 32 42.933 -4.350 1.504 298 HA LYS 32 HA LYS 32 42.711 -6.440 -0.575 299 1HB LYS 32 HB2 LYS 32 40.348 -5.474 -0.838 300 2HB LYS 32 HB1 LYS 32 40.654 -6.384 0.639 301 1HG LYS 32 HG2 LYS 32 40.730 -4.442 1.980 302 2HG LYS 32 HG1 LYS 32 41.080 -3.391 0.607 303 1HD LYS 32 HD2 LYS 32 38.842 -3.511 -0.194 304 2HD LYS 32 HD1 LYS 32 38.466 -4.892 0.838 305 1HE LYS 32 HE2 LYS 32 38.468 -3.562 2.806 306 2HE LYS 32 HE1 LYS 32 39.276 -2.222 1.993 307 1HZ LYS 32 HZ1 LYS 32 37.182 -2.298 0.487 308 2HZ LYS 32 HZ3 LYS 32 36.476 -3.090 1.809 309 3HZ LYS 32 HZ2 LYS 32 37.108 -1.525 1.998 310 HA PRO 33 HA PRO 33 43.702 -2.144 -2.403 311 1HB PRO 33 HB2 PRO 33 46.317 -2.518 -3.144 312 2HB PRO 33 HB1 PRO 33 45.837 -1.806 -1.592 313 1HG PRO 33 HG2 PRO 33 46.851 -4.562 -2.167 314 2HG PRO 33 HG1 PRO 33 47.045 -3.575 -0.708 315 1HD PRO 33 HD2 PRO 33 45.218 -5.680 -0.969 316 2HD PRO 33 HD1 PRO 33 45.124 -4.370 0.225 317 H SER 34 HN SER 34 43.716 -1.818 -4.670 318 HA SER 34 HA SER 34 43.462 -4.255 -6.307 319 1HB SER 34 HB2 SER 34 41.988 -1.990 -6.294 320 2HB SER 34 HB1 SER 34 43.168 -1.579 -7.535 321 HG SER 34 HG SER 34 41.094 -2.877 -8.018 322 H LEU 35 HN LEU 35 44.686 -4.482 -8.308 323 HA LEU 35 HA LEU 35 47.464 -3.820 -8.058 324 1HB LEU 35 HB2 LEU 35 45.730 -4.770 -10.331 325 2HB LEU 35 HB1 LEU 35 47.411 -4.318 -10.627 326 HG LEU 35 HG LEU 35 46.963 -6.036 -8.267 327 1HD1 LEU 35 HD11 LEU 35 45.439 -6.800 -10.316 328 2HD1 LEU 35 HD13 LEU 35 46.969 -7.454 -10.899 329 3HD1 LEU 35 HD12 LEU 35 46.321 -7.979 -9.344 330 1HD2 LEU 35 HD22 LEU 35 48.944 -5.733 -10.507 331 2HD2 LEU 35 HD21 LEU 35 49.217 -5.677 -8.766 332 3HD2 LEU 35 HD23 LEU 35 48.926 -7.223 -9.564 333 H GLN 36 HN GLN 36 44.706 -2.077 -9.188 334 HA GLN 36 HA GLN 36 46.151 -0.096 -10.772 335 1HB GLN 36 HB2 GLN 36 43.452 0.153 -9.398 336 2HB GLN 36 HB1 GLN 36 44.059 1.167 -10.707 337 1HG GLN 36 HG2 GLN 36 43.576 -0.382 -12.302 338 2HG GLN 36 HG1 GLN 36 44.108 -1.727 -11.294 339 1HE2 GLN 36 HE22 GLN 36 40.229 -1.315 -11.728 340 2HE2 GLN 36 HE21 GLN 36 41.424 -0.860 -12.844 341 H GLN 37 HN GLN 37 44.989 -0.387 -7.439 342 HA GLN 37 HA GLN 37 45.798 2.217 -6.555 343 1HB GLN 37 HB2 GLN 37 44.266 0.676 -5.282 344 2HB GLN 37 HB1 GLN 37 45.671 -0.321 -4.897 345 1HG GLN 37 HG2 GLN 37 46.724 1.895 -4.030 346 2HG GLN 37 HG1 GLN 37 45.065 2.493 -4.011 347 1HE2 GLN 37 HE22 GLN 37 44.086 -0.063 -1.538 348 2HE2 GLN 37 HE21 GLN 37 43.533 0.494 -3.043 349 H ILE 38 HN ILE 38 47.512 -0.852 -6.936 350 HA ILE 38 HA ILE 38 49.878 -0.017 -5.512 351 HB ILE 38 HB ILE 38 49.375 -2.225 -7.538 352 1HG1 ILE 38 HG12 ILE 38 48.414 -2.550 -5.299 353 2HG1 ILE 38 HG11 ILE 38 49.762 -3.660 -5.544 354 1HG2 ILE 38 HG21 ILE 38 51.954 -1.244 -6.348 355 2HG2 ILE 38 HG23 ILE 38 51.726 -2.984 -6.522 356 3HG2 ILE 38 HG22 ILE 38 51.652 -1.939 -7.940 357 1HD1 ILE 38 HD13 ILE 38 50.946 -1.347 -4.480 358 2HD1 ILE 38 HD12 ILE 38 49.455 -1.548 -3.562 359 3HD1 ILE 38 HD11 ILE 38 50.637 -2.854 -3.617 360 H THR 39 HN THR 39 48.663 0.325 -8.771 361 HA THR 39 HA THR 39 51.098 1.274 -9.988 362 HB THR 39 HB THR 39 48.521 2.426 -10.924 363 HG1 THR 39 HG1 THR 39 49.082 -0.353 -10.922 364 1HG2 THR 39 HG22 THR 39 50.816 0.919 -12.201 365 2HG2 THR 39 HG21 THR 39 49.433 1.556 -13.091 366 3HG2 THR 39 HG23 THR 39 50.529 2.658 -12.260 367 H HIS 40 HN HIS 40 48.476 2.778 -8.177 368 HA HIS 40 HA HIS 40 49.503 5.499 -8.456 369 1HB HIS 40 HB2 HIS 40 47.288 4.165 -6.966 370 2HB HIS 40 HB1 HIS 40 47.892 5.690 -6.315 371 HD1 HIS 40 HD1 HIS 40 47.326 4.566 -9.923 372 HD2 HIS 40 HD2 HIS 40 46.213 7.633 -7.328 373 HE1 HIS 40 HE1 HIS 40 45.933 6.185 -11.284 374 H ILE 41 HN ILE 41 50.183 2.765 -6.432 375 HA ILE 41 HA ILE 41 51.290 4.225 -4.202 376 HB ILE 41 HB ILE 41 51.078 1.419 -5.088 377 1HG1 ILE 41 HG12 ILE 41 51.171 1.241 -2.450 378 2HG1 ILE 41 HG11 ILE 41 50.960 2.988 -2.541 379 1HG2 ILE 41 HG22 ILE 41 53.486 2.198 -3.422 380 2HG2 ILE 41 HG21 ILE 41 52.931 0.551 -3.722 381 3HG2 ILE 41 HG23 ILE 41 53.543 1.532 -5.054 382 1HD1 ILE 41 HD12 ILE 41 49.164 1.028 -3.992 383 2HD1 ILE 41 HD11 ILE 41 48.803 1.664 -2.388 384 3HD1 ILE 41 HD13 ILE 41 48.901 2.757 -3.768 385 H ALA 42 HN ALA 42 52.590 2.829 -7.210 386 HA ALA 42 HA ALA 42 55.316 3.529 -6.752 387 1HB ALA 42 HB1 ALA 42 54.030 2.106 -8.689 388 2HB ALA 42 HB3 ALA 42 54.363 3.606 -9.555 389 3HB ALA 42 HB2 ALA 42 55.689 2.684 -8.848 390 H ASN 43 HN ASN 43 52.786 5.190 -8.617 391 HA ASN 43 HA ASN 43 54.341 7.539 -9.139 392 1HB ASN 43 HB2 ASN 43 51.979 6.724 -10.060 393 2HB ASN 43 HB1 ASN 43 51.380 7.728 -8.738 394 1HD2 ASN 43 HD22 ASN 43 51.922 9.787 -11.893 395 2HD2 ASN 43 HD21 ASN 43 51.118 8.315 -11.632 396 H GLN 44 HN GLN 44 52.834 6.304 -6.286 397 HA GLN 44 HA GLN 44 52.498 8.835 -4.937 398 1HB GLN 44 HB2 GLN 44 52.060 5.994 -4.364 399 2HB GLN 44 HB1 GLN 44 52.519 6.943 -2.957 400 1HG GLN 44 HG2 GLN 44 50.246 7.592 -4.861 401 2HG GLN 44 HG1 GLN 44 50.059 6.872 -3.263 402 1HE2 GLN 44 HE22 GLN 44 49.762 10.690 -3.184 403 2HE2 GLN 44 HE21 GLN 44 49.083 9.550 -4.242 404 H LEU 45 HN LEU 45 55.109 6.452 -5.155 405 HA LEU 45 HA LEU 45 56.747 8.370 -3.577 406 1HB LEU 45 HB2 LEU 45 57.753 6.717 -2.236 407 2HB LEU 45 HB1 LEU 45 56.043 6.317 -2.227 408 HG LEU 45 HG LEU 45 58.019 5.022 -4.107 409 1HD1 LEU 45 HD11 LEU 45 58.388 4.719 -1.537 410 2HD1 LEU 45 HD13 LEU 45 56.906 3.769 -1.608 411 3HD1 LEU 45 HD12 LEU 45 58.312 3.278 -2.547 412 1HD2 LEU 45 HD23 LEU 45 55.145 4.687 -3.346 413 2HD2 LEU 45 HD22 LEU 45 55.886 4.637 -4.944 414 3HD2 LEU 45 HD21 LEU 45 56.067 3.270 -3.845 415 H GLY 46 HN GLY 46 56.450 7.794 -6.486 416 1HA GLY 46 HA2 GLY 46 57.793 7.532 -8.388 417 2HA GLY 46 HA1 GLY 46 58.955 8.417 -7.417 418 H LEU 47 HN LEU 47 57.950 5.123 -6.572 419 HA LEU 47 HA LEU 47 60.751 4.287 -7.166 420 1HB LEU 47 HB2 LEU 47 60.704 2.831 -5.399 421 2HB LEU 47 HB1 LEU 47 59.456 3.916 -4.823 422 HG LEU 47 HG LEU 47 59.048 1.298 -6.272 423 1HD1 LEU 47 HD12 LEU 47 59.552 1.736 -3.605 424 2HD1 LEU 47 HD11 LEU 47 57.790 1.744 -3.650 425 3HD1 LEU 47 HD13 LEU 47 58.680 0.345 -4.243 426 1HD2 LEU 47 HD23 LEU 47 57.265 3.571 -5.853 427 2HD2 LEU 47 HD22 LEU 47 57.133 2.237 -6.985 428 3HD2 LEU 47 HD21 LEU 47 56.592 2.041 -5.322 429 H GLU 48 HN GLU 48 60.815 1.792 -7.735 430 HA GLU 48 HA GLU 48 59.165 1.479 -10.167 431 1HB GLU 48 HB2 GLU 48 61.730 1.068 -10.021 432 2HB GLU 48 HB1 GLU 48 61.294 -0.442 -9.220 433 1HG GLU 48 HG2 GLU 48 59.930 -1.103 -11.146 434 2HG GLU 48 HG1 GLU 48 60.282 0.431 -11.944 435 H LYS 49 HN LYS 49 57.802 -0.350 -10.443 436 HA LYS 49 HA LYS 49 56.354 -1.243 -8.178 437 1HB LYS 49 HB2 LYS 49 55.823 -1.352 -10.761 438 2HB LYS 49 HB1 LYS 49 56.512 -2.970 -10.617 439 1HG LYS 49 HG2 LYS 49 54.847 -2.864 -8.424 440 2HG LYS 49 HG1 LYS 49 53.945 -1.926 -9.614 441 1HD LYS 49 HD2 LYS 49 54.351 -3.838 -11.249 442 2HD LYS 49 HD1 LYS 49 54.938 -4.773 -9.872 443 1HE LYS 49 HE2 LYS 49 52.290 -3.395 -9.632 444 2HE LYS 49 HE1 LYS 49 52.385 -4.877 -10.583 445 1HZ LYS 49 HZ2 LYS 49 53.388 -4.611 -7.803 446 2HZ LYS 49 HZ1 LYS 49 51.868 -5.250 -8.212 447 3HZ LYS 49 HZ3 LYS 49 53.281 -6.039 -8.719 448 H ASP 50 HN ASP 50 59.392 -2.371 -9.422 449 HA ASP 50 HA ASP 50 59.227 -5.056 -8.355 450 1HB ASP 50 HB2 ASP 50 60.791 -4.190 -10.202 451 2HB ASP 50 HB1 ASP 50 61.774 -3.526 -8.898 452 H VAL 51 HN VAL 51 60.427 -1.947 -7.064 453 HA VAL 51 HA VAL 51 61.484 -3.307 -4.670 454 HB VAL 51 HB VAL 51 62.654 -1.318 -5.501 455 1HG1 VAL 51 HG11 VAL 51 59.933 -0.284 -5.619 456 2HG1 VAL 51 HG13 VAL 51 61.024 0.838 -4.810 457 3HG1 VAL 51 HG12 VAL 51 61.379 0.283 -6.444 458 1HG2 VAL 51 HG23 VAL 51 62.472 -1.814 -2.995 459 2HG2 VAL 51 HG22 VAL 51 62.896 -0.156 -3.421 460 3HG2 VAL 51 HG21 VAL 51 61.247 -0.546 -2.932 461 H VAL 52 HN VAL 52 58.550 -1.724 -5.711 462 HA VAL 52 HA VAL 52 57.499 -1.348 -3.032 463 HB VAL 52 HB VAL 52 56.856 -0.289 -5.469 464 1HG1 VAL 52 HG12 VAL 52 55.755 -2.452 -6.163 465 2HG1 VAL 52 HG11 VAL 52 54.559 -2.169 -4.897 466 3HG1 VAL 52 HG13 VAL 52 54.714 -1.030 -6.235 467 1HG2 VAL 52 HG21 VAL 52 56.202 0.189 -2.921 468 2HG2 VAL 52 HG23 VAL 52 55.369 0.973 -4.258 469 3HG2 VAL 52 HG22 VAL 52 54.645 -0.428 -3.473 470 NH1 ARG 53 NH2 ARG 53 55.867 -9.816 -8.725 471 NH2 ARG 53 NH1 ARG 53 55.183 -11.020 -6.936 472 H ARG 53 HN ARG 53 57.484 -3.900 -5.437 473 HA ARG 53 HA ARG 53 55.420 -5.474 -4.104 474 1HB ARG 53 HB2 ARG 53 56.273 -5.505 -6.616 475 2HB ARG 53 HB1 ARG 53 57.414 -6.690 -5.979 476 1HG ARG 53 HG2 ARG 53 54.573 -7.027 -5.166 477 2HG ARG 53 HG1 ARG 53 54.951 -7.364 -6.856 478 1HD ARG 53 HD2 ARG 53 56.699 -8.498 -4.692 479 2HD ARG 53 HD1 ARG 53 55.172 -9.288 -5.086 480 HE ARG 53 HE ARG 53 57.535 -9.115 -6.846 481 1HH1 ARG 53 HH21 ARG 53 56.400 -9.062 -9.108 482 2HH1 ARG 53 HH22 ARG 53 55.323 -10.401 -9.327 483 1HH2 ARG 53 HH11 ARG 53 55.194 -11.187 -5.950 484 2HH2 ARG 53 HH12 ARG 53 54.639 -11.605 -7.537 485 H VAL 54 HN VAL 54 58.981 -5.460 -4.209 486 HA VAL 54 HA VAL 54 59.383 -7.854 -2.693 487 HB VAL 54 HB VAL 54 61.128 -5.369 -2.767 488 1HG1 VAL 54 HG11 VAL 54 61.567 -8.228 -1.902 489 2HG1 VAL 54 HG13 VAL 54 62.915 -7.213 -2.417 490 3HG1 VAL 54 HG12 VAL 54 61.940 -6.745 -1.023 491 1HG2 VAL 54 HG23 VAL 54 60.358 -6.813 -4.939 492 2HG2 VAL 54 HG22 VAL 54 61.941 -6.048 -4.798 493 3HG2 VAL 54 HG21 VAL 54 61.753 -7.759 -4.418 494 CH2 TRP 55 CH2 TRP 55 53.967 -1.521 2.852 495 H TRP 55 HN TRP 55 59.123 -4.435 -1.611 496 HA TRP 55 HA TRP 55 59.424 -5.073 1.173 497 1HB TRP 55 HB2 TRP 55 59.683 -2.767 0.641 498 2HB TRP 55 HB1 TRP 55 58.175 -2.718 -0.264 499 HD1 TRP 55 HD1 TRP 55 59.495 -2.779 3.376 500 HE1 TRP 55 HE1 TRP 55 57.589 -1.994 4.923 501 HE3 TRP 55 HE3 TRP 55 55.616 -2.513 0.052 502 HZ2 TRP 55 HZ2 TRP 55 54.856 -1.334 4.792 503 HZ3 TRP 55 HZ3 TRP 55 53.372 -1.825 0.816 504 HH2 TRP 55 HH2 TRP 55 52.986 -1.219 3.183 505 H PHE 56 HN PHE 56 56.477 -4.688 -0.875 506 HA PHE 56 HA PHE 56 54.848 -5.489 1.388 507 1HB PHE 56 HB2 PHE 56 54.132 -3.970 -0.646 508 2HB PHE 56 HB1 PHE 56 53.682 -5.524 -1.360 509 HD1 PHE 56 HD2 PHE 56 53.573 -4.093 2.102 510 HD2 PHE 56 HD1 PHE 56 51.384 -6.010 -1.048 511 HE1 PHE 56 HE2 PHE 56 51.594 -4.182 3.553 512 HE2 PHE 56 HE1 PHE 56 49.386 -6.115 0.427 513 HZ PHE 56 HZ PHE 56 49.516 -5.196 2.739 514 H CYS 57 HN CYS 57 56.827 -7.334 -0.443 515 HA CYS 57 HA CYS 57 55.001 -9.606 -0.803 516 1HB CYS 57 HB2 CYS 57 57.056 -9.225 -2.255 517 2HB CYS 57 HB1 CYS 57 58.039 -9.622 -0.846 518 HG CYS 57 HG CYS 57 55.942 -11.704 -1.848 519 H ASN 58 HN ASN 58 57.441 -8.455 1.450 520 HA ASN 58 HA ASN 58 57.049 -10.789 3.224 521 1HB ASN 58 HB2 ASN 58 58.834 -8.354 3.278 522 2HB ASN 58 HB1 ASN 58 58.620 -9.348 4.720 523 1HD2 ASN 58 HD22 ASN 58 60.621 -12.001 3.511 524 2HD2 ASN 58 HD21 ASN 58 59.626 -11.433 4.763 525 NH1 ARG 59 NH2 ARG 59 58.415 -6.777 6.532 526 NH2 ARG 59 NH1 ARG 59 59.479 -5.584 4.934 527 H ARG 59 HN ARG 59 56.028 -7.443 2.864 528 HA ARG 59 HA ARG 59 54.919 -7.198 5.537 529 1HB ARG 59 HB2 ARG 59 55.241 -5.451 3.248 530 2HB ARG 59 HB1 ARG 59 53.553 -5.431 3.736 531 1HG ARG 59 HG2 ARG 59 55.071 -3.716 4.819 532 2HG ARG 59 HG1 ARG 59 54.057 -4.650 5.896 533 1HD ARG 59 HD2 ARG 59 56.510 -4.298 6.600 534 2HD ARG 59 HD1 ARG 59 55.910 -5.951 6.661 535 HE ARG 59 HE ARG 59 57.063 -5.496 4.096 536 1HH1 ARG 59 HH21 ARG 59 57.567 -7.073 6.973 537 2HH1 ARG 59 HH22 ARG 59 59.296 -7.102 6.876 538 1HH2 ARG 59 HH11 ARG 59 59.446 -4.964 4.150 539 2HH2 ARG 59 HH12 ARG 59 60.360 -5.909 5.278 540 NH1 ARG 60 NH1 ARG 60 50.971 -10.865 -3.340 541 NH2 ARG 60 NH2 ARG 60 51.396 -12.980 -2.664 542 H ARG 60 HN ARG 60 53.851 -8.572 2.495 543 HA ARG 60 HA ARG 60 51.049 -8.713 3.432 544 1HB ARG 60 HB2 ARG 60 50.547 -9.679 1.273 545 2HB ARG 60 HB1 ARG 60 51.627 -8.316 1.001 546 1HG ARG 60 HG2 ARG 60 53.551 -9.907 0.900 547 2HG ARG 60 HG1 ARG 60 52.419 -11.245 1.071 548 1HD ARG 60 HD2 ARG 60 51.842 -9.256 -1.070 549 2HD ARG 60 HD1 ARG 60 53.201 -10.350 -1.334 550 HE ARG 60 HE ARG 60 50.770 -11.713 -0.454 551 1HH1 ARG 60 HH11 ARG 60 50.845 -9.897 -3.126 552 2HH1 ARG 60 HH12 ARG 60 50.898 -11.182 -4.285 553 1HH2 ARG 60 HH21 ARG 60 51.596 -13.632 -1.932 554 2HH2 ARG 60 HH22 ARG 60 51.324 -13.297 -3.609 555 H GLN 61 HN GLN 61 53.894 -10.741 3.063 556 HA GLN 61 HA GLN 61 52.419 -12.972 4.400 557 1HB GLN 61 HB2 GLN 61 54.677 -13.012 2.384 558 2HB GLN 61 HB1 GLN 61 54.270 -14.419 3.367 559 1HG GLN 61 HG2 GLN 61 52.066 -13.031 1.894 560 2HG GLN 61 HG1 GLN 61 53.162 -14.068 0.981 561 1HE2 GLN 61 HE22 GLN 61 50.225 -15.912 2.764 562 2HE2 GLN 61 HE21 GLN 61 50.212 -14.355 2.089 563 H LYS 62 HN LYS 62 53.227 -11.211 6.140 564 HA LYS 62 HA LYS 62 56.005 -11.581 6.975 565 1HB LYS 62 HB2 LYS 62 55.338 -10.149 8.889 566 2HB LYS 62 HB1 LYS 62 54.892 -9.432 7.341 567 1HG LYS 62 HG2 LYS 62 52.597 -10.063 7.604 568 2HG LYS 62 HG1 LYS 62 52.973 -11.106 8.976 569 1HD LYS 62 HD2 LYS 62 52.128 -9.161 9.995 570 2HD LYS 62 HD1 LYS 62 53.876 -8.935 10.088 571 1HE LYS 62 HE2 LYS 62 53.894 -7.375 8.329 572 2HE LYS 62 HE1 LYS 62 52.325 -7.903 7.721 573 1HZ LYS 62 HZ3 LYS 62 52.626 -6.693 10.401 574 2HZ LYS 62 HZ2 LYS 62 52.404 -5.738 9.014 575 3HZ LYS 62 HZ1 LYS 62 51.217 -6.863 9.473 576 H GLY 63 HN GLY 63 52.889 -12.993 7.720 577 1HA GLY 63 HA2 GLY 63 53.351 -15.377 8.694 578 2HA GLY 63 HA1 GLY 63 54.074 -14.468 10.022 579 H LYS 64 HN LYS 64 51.026 -14.649 8.162 580 HA LYS 64 HA LYS 64 49.562 -13.696 10.571 581 1HB LYS 64 HB2 LYS 64 49.255 -12.827 8.090 582 2HB LYS 64 HB1 LYS 64 48.230 -14.255 7.945 583 1HG LYS 64 HG2 LYS 64 46.649 -12.772 8.716 584 2HG LYS 64 HG1 LYS 64 47.276 -13.327 10.268 585 1HD LYS 64 HD2 LYS 64 48.150 -11.299 10.757 586 2HD LYS 64 HD1 LYS 64 48.869 -11.136 9.156 587 1HE LYS 64 HE2 LYS 64 46.280 -10.796 8.495 588 2HE LYS 64 HE1 LYS 64 46.228 -10.193 10.151 589 1HZ LYS 64 HZ2 LYS 64 48.317 -9.312 8.259 590 2HZ LYS 64 HZ1 LYS 64 46.799 -8.552 8.309 591 3HZ LYS 64 HZ3 LYS 64 47.790 -8.555 9.686 592 NH1 ARG 65 NH2 ARG 65 50.476 -21.774 7.370 593 NH2 ARG 65 NH1 ARG 65 52.454 -21.925 6.286 594 H ARG 65 HN ARG 65 50.714 -16.442 10.280 595 HA ARG 65 HA ARG 65 48.162 -17.998 10.385 596 1HB ARG 65 HB2 ARG 65 49.641 -20.001 9.926 597 2HB ARG 65 HB1 ARG 65 49.533 -18.847 8.598 598 1HG ARG 65 HG2 ARG 65 51.693 -18.023 8.962 599 2HG ARG 65 HG1 ARG 65 51.728 -18.578 10.636 600 1HD ARG 65 HD2 ARG 65 53.109 -20.133 9.541 601 2HD ARG 65 HD1 ARG 65 51.554 -20.963 9.607 602 HE ARG 65 HE ARG 65 52.361 -19.443 7.164 603 1HH1 ARG 65 HH21 ARG 65 49.873 -21.297 8.010 604 2HH1 ARG 65 HH22 ARG 65 50.167 -22.613 6.923 605 1HH2 ARG 65 HH11 ARG 65 53.366 -21.563 6.094 606 2HH2 ARG 65 HH12 ARG 65 52.145 -22.764 5.838 607 H SER 66 HN SER 66 51.165 -17.225 12.035 608 HA SER 66 HA SER 66 50.041 -18.360 14.521 609 1HB SER 66 HB2 SER 66 51.559 -20.075 13.220 610 2HB SER 66 HB1 SER 66 52.877 -19.084 13.839 611 HG SER 66 HG SER 66 50.810 -20.307 15.362 612 H SER 67 HN SER 67 51.399 -17.689 16.428 613 HA SER 67 HA SER 67 52.409 -14.939 15.988 614 1HB SER 67 HB2 SER 67 51.319 -16.478 18.277 615 2HB SER 67 HB1 SER 67 52.590 -15.326 18.676 616 HG SER 67 HG SER 67 50.485 -14.392 18.700 Start of MODEL 7 Raw file had 616 H/Q atoms Start of MODEL 7 1 1H MET 1 HT1 MET 1 57.579 8.056 18.791 2 2H MET 1 HT3 MET 1 58.523 8.093 17.383 3 3H MET 1 HT2 MET 1 59.006 7.139 18.702 4 HA MET 1 HA MET 1 60.353 9.101 18.654 5 1HB MET 1 HB2 MET 1 58.642 10.439 17.371 6 2HB MET 1 HB1 MET 1 57.749 10.637 18.877 7 1HG MET 1 HG2 MET 1 60.634 11.294 19.039 8 2HG MET 1 HG1 MET 1 59.686 12.364 18.009 9 1HE MET 1 HE3 MET 1 57.138 12.565 18.777 10 2HE MET 1 HE2 MET 1 56.793 13.459 20.255 11 3HE MET 1 HE1 MET 1 57.836 14.171 19.026 12 H GLU 2 HN GLU 2 57.305 9.531 20.490 13 HA GLU 2 HA GLU 2 58.826 9.803 22.984 14 1HB GLU 2 HB2 GLU 2 56.558 10.074 24.006 15 2HB GLU 2 HB1 GLU 2 56.849 11.193 22.675 16 1HG GLU 2 HG2 GLU 2 55.447 10.022 21.208 17 2HG GLU 2 HG1 GLU 2 55.553 8.531 22.145 18 H THR 3 HN THR 3 57.149 7.275 21.269 19 HA THR 3 HA THR 3 56.899 5.557 23.645 20 HB THR 3 HB THR 3 56.457 3.856 21.586 21 HG1 THR 3 HG1 THR 3 56.484 4.977 19.822 22 1HG2 THR 3 HG21 THR 3 54.695 5.861 22.959 23 2HG2 THR 3 HG23 THR 3 54.021 4.815 21.709 24 3HG2 THR 3 HG22 THR 3 54.749 4.108 23.152 25 H LEU 4 HN LEU 4 58.640 4.504 24.424 26 HA LEU 4 HA LEU 4 60.931 3.957 22.610 27 1HB LEU 4 HB2 LEU 4 61.007 5.084 25.019 28 2HB LEU 4 HB1 LEU 4 61.021 3.403 25.551 29 HG LEU 4 HG LEU 4 62.862 4.022 23.314 30 1HD1 LEU 4 HD12 LEU 4 62.858 6.003 25.072 31 2HD1 LEU 4 HD11 LEU 4 63.775 4.854 26.046 32 3HD1 LEU 4 HD13 LEU 4 64.380 5.350 24.466 33 1HD2 LEU 4 HD23 LEU 4 63.100 2.559 25.964 34 2HD2 LEU 4 HD22 LEU 4 62.819 1.825 24.385 35 3HD2 LEU 4 HD21 LEU 4 64.360 2.609 24.732 36 H VAL 5 HN VAL 5 61.419 1.895 22.001 37 HA VAL 5 HA VAL 5 60.002 -0.342 23.391 38 HB VAL 5 HB VAL 5 60.622 -0.173 20.429 39 1HG1 VAL 5 HG12 VAL 5 59.514 -2.245 22.254 40 2HG1 VAL 5 HG11 VAL 5 58.714 -2.064 20.692 41 3HG1 VAL 5 HG13 VAL 5 60.437 -2.435 20.763 42 1HG2 VAL 5 HG23 VAL 5 58.062 0.305 21.983 43 2HG2 VAL 5 HG22 VAL 5 58.897 1.442 20.924 44 3HG2 VAL 5 HG21 VAL 5 58.103 0.022 20.242 45 H GLN 6 HN GLN 6 62.804 0.575 21.409 46 HA GLN 6 HA GLN 6 64.282 -1.745 22.587 47 1HB GLN 6 HB2 GLN 6 64.885 -0.262 20.011 48 2HB GLN 6 HB1 GLN 6 65.697 -1.711 20.604 49 1HG GLN 6 HG2 GLN 6 63.294 -2.742 20.628 50 2HG GLN 6 HG1 GLN 6 62.907 -1.424 19.521 51 1HE2 GLN 6 HE22 GLN 6 65.710 -4.175 18.269 52 2HE2 GLN 6 HE21 GLN 6 65.608 -3.801 19.921 53 H ALA 7 HN ALA 7 66.774 -1.215 22.561 54 HA ALA 7 HA ALA 7 67.230 0.921 24.390 55 1HB ALA 7 HB1 ALA 7 68.672 -1.142 24.068 56 2HB ALA 7 HB3 ALA 7 69.318 -0.370 22.620 57 3HB ALA 7 HB2 ALA 7 69.562 0.374 24.200 58 NH1 ARG 8 NH2 ARG 8 71.744 8.432 19.538 59 NH2 ARG 8 NH1 ARG 8 70.003 8.168 18.121 60 H ARG 8 HN ARG 8 68.407 0.641 21.014 61 HA ARG 8 HA ARG 8 67.723 3.412 20.466 62 1HB ARG 8 HB2 ARG 8 70.287 2.833 21.565 63 2HB ARG 8 HB1 ARG 8 70.535 3.226 19.865 64 1HG ARG 8 HG2 ARG 8 68.676 4.972 21.414 65 2HG ARG 8 HG1 ARG 8 70.401 5.126 21.750 66 1HD ARG 8 HD2 ARG 8 70.718 5.287 19.206 67 2HD ARG 8 HD1 ARG 8 68.973 5.528 19.117 68 HE ARG 8 HE ARG 8 69.722 7.402 20.969 69 1HH1 ARG 8 HH21 ARG 8 72.195 8.220 20.405 70 2HH1 ARG 8 HH22 ARG 8 72.176 9.060 18.891 71 1HH2 ARG 8 HH11 ARG 8 69.119 7.754 17.903 72 2HH2 ARG 8 HH12 ARG 8 70.435 8.796 17.473 73 H LYS 9 HN LYS 9 67.264 0.690 19.365 74 HA LYS 9 HA LYS 9 68.598 0.909 16.732 75 1HB LYS 9 HB2 LYS 9 68.350 -1.273 18.293 76 2HB LYS 9 HB1 LYS 9 66.859 -1.416 17.363 77 1HG LYS 9 HG2 LYS 9 69.236 -0.739 15.745 78 2HG LYS 9 HG1 LYS 9 69.312 -2.322 16.518 79 1HD LYS 9 HD2 LYS 9 66.885 -2.622 15.622 80 2HD LYS 9 HD1 LYS 9 67.290 -1.290 14.539 81 1HE LYS 9 HE2 LYS 9 67.854 -3.261 13.331 82 2HE LYS 9 HE1 LYS 9 69.390 -2.631 13.928 83 1HZ LYS 9 HZ2 LYS 9 67.856 -4.583 15.519 84 2HZ LYS 9 HZ1 LYS 9 68.857 -5.110 14.251 85 3HZ LYS 9 HZ3 LYS 9 69.522 -4.248 15.552 86 NH1 ARG 10 NH1 ARG 10 60.451 5.262 16.601 87 NH2 ARG 10 NH2 ARG 10 59.106 4.299 18.141 88 H ARG 10 HN ARG 10 66.409 2.676 17.533 89 HA ARG 10 HA ARG 10 64.147 1.708 15.900 90 1HB ARG 10 HB2 ARG 10 64.486 3.882 17.945 91 2HB ARG 10 HB1 ARG 10 63.136 3.943 16.810 92 1HG ARG 10 HG2 ARG 10 62.907 1.378 17.575 93 2HG ARG 10 HG1 ARG 10 63.660 2.028 19.033 94 1HD ARG 10 HD2 ARG 10 61.205 2.152 19.196 95 2HD ARG 10 HD1 ARG 10 61.909 3.768 19.160 96 HE ARG 10 HE ARG 10 60.967 2.613 16.592 97 1HH1 ARG 10 HH11 ARG 10 61.259 5.227 16.015 98 2HH1 ARG 10 HH12 ARG 10 59.863 6.072 16.596 99 1HH2 ARG 10 HH21 ARG 10 58.884 3.526 18.735 100 2HH2 ARG 10 HH22 ARG 10 58.519 5.108 18.134 101 H LYS 11 HN LYS 11 66.551 2.413 14.523 102 HA LYS 11 HA LYS 11 66.261 5.115 13.478 103 1HB LYS 11 HB2 LYS 11 67.944 2.851 12.377 104 2HB LYS 11 HB1 LYS 11 68.149 4.574 12.064 105 1HG LYS 11 HG2 LYS 11 68.223 4.518 14.804 106 2HG LYS 11 HG1 LYS 11 68.976 2.975 14.406 107 1HD LYS 11 HD2 LYS 11 70.501 4.193 12.828 108 2HD LYS 11 HD1 LYS 11 69.818 5.711 13.411 109 1HE LYS 11 HE2 LYS 11 70.429 4.810 15.777 110 2HE LYS 11 HE1 LYS 11 71.490 3.703 14.906 111 1HZ LYS 11 HZ2 LYS 11 72.422 5.699 13.770 112 2HZ LYS 11 HZ1 LYS 11 71.546 6.666 14.858 113 3HZ LYS 11 HZ3 LYS 11 72.748 5.619 15.435 114 NH1 ARG 12 NH2 ARG 12 64.305 9.279 12.483 115 NH2 ARG 12 NH1 ARG 12 62.328 8.546 13.297 116 H ARG 12 HN ARG 12 66.610 4.855 10.766 117 HA ARG 12 HA ARG 12 64.052 3.555 9.926 118 1HB ARG 12 HB2 ARG 12 65.540 5.983 8.934 119 2HB ARG 12 HB1 ARG 12 64.355 5.166 7.916 120 1HG ARG 12 HG2 ARG 12 62.888 6.575 8.959 121 2HG ARG 12 HG1 ARG 12 62.942 5.350 10.226 122 1HD ARG 12 HD2 ARG 12 64.643 6.587 11.432 123 2HD ARG 12 HD1 ARG 12 64.790 7.749 10.113 124 HE ARG 12 HE ARG 12 62.133 7.941 10.800 125 1HH1 ARG 12 HH21 ARG 12 64.984 9.303 11.749 126 2HH1 ARG 12 HH22 ARG 12 64.463 9.792 13.326 127 1HH2 ARG 12 HH11 ARG 12 61.492 8.008 13.187 128 2HH2 ARG 12 HH12 ARG 12 62.486 9.058 14.141 129 H THR 13 HN THR 13 66.656 2.193 10.161 130 HA THR 13 HA THR 13 67.589 1.830 7.393 131 HB THR 13 HB THR 13 68.351 0.188 9.819 132 HG1 THR 13 HG1 THR 13 69.968 1.704 10.142 133 1HG2 THR 13 HG22 THR 13 68.947 -0.379 7.324 134 2HG2 THR 13 HG21 THR 13 70.117 0.928 7.508 135 3HG2 THR 13 HG23 THR 13 70.197 -0.483 8.565 136 H SER 14 HN SER 14 65.501 0.230 9.713 137 HA SER 14 HA SER 14 65.234 -2.161 7.991 138 1HB SER 14 HB2 SER 14 65.236 -2.085 10.617 139 2HB SER 14 HB1 SER 14 63.549 -1.618 10.423 140 HG SER 14 HG SER 14 64.014 -3.941 10.578 141 H ILE 15 HN ILE 15 62.571 -2.779 8.195 142 HA ILE 15 HA ILE 15 61.356 -0.703 6.474 143 HB ILE 15 HB ILE 15 60.463 -3.513 7.176 144 1HG1 ILE 15 HG12 ILE 15 62.458 -3.352 5.710 145 2HG1 ILE 15 HG11 ILE 15 61.068 -3.991 4.836 146 1HG2 ILE 15 HG21 ILE 15 59.257 -1.514 5.227 147 2HG2 ILE 15 HG23 ILE 15 58.755 -3.196 5.404 148 3HG2 ILE 15 HG22 ILE 15 58.515 -2.059 6.731 149 1HD1 ILE 15 HD12 ILE 15 60.931 -1.174 4.558 150 2HD1 ILE 15 HD11 ILE 15 62.615 -1.613 4.275 151 3HD1 ILE 15 HD13 ILE 15 61.338 -2.354 3.314 152 H GLU 16 HN GLU 16 60.938 0.882 8.110 153 HA GLU 16 HA GLU 16 59.344 0.299 10.436 154 1HB GLU 16 HB2 GLU 16 60.845 2.441 9.700 155 2HB GLU 16 HB1 GLU 16 59.238 3.029 9.272 156 1HG GLU 16 HG2 GLU 16 58.439 2.496 11.551 157 2HG GLU 16 HG1 GLU 16 60.052 1.926 11.979 158 H ASN 17 HN ASN 17 57.054 0.817 10.655 159 HA ASN 17 HA ASN 17 55.479 0.010 8.426 160 1HB ASN 17 HB2 ASN 17 53.526 0.752 9.767 161 2HB ASN 17 HB1 ASN 17 54.654 -0.198 10.733 162 1HD2 ASN 17 HD22 ASN 17 53.931 3.669 11.712 163 2HD2 ASN 17 HD21 ASN 17 53.155 2.928 10.397 164 NH1 ARG 18 NH2 ARG 18 52.894 9.460 10.120 165 NH2 ARG 18 NH1 ARG 18 54.671 10.280 11.251 166 H ARG 18 HN ARG 18 56.716 3.125 9.344 167 HA ARG 18 HA ARG 18 54.875 4.593 7.592 168 1HB ARG 18 HB2 ARG 18 56.442 5.298 9.774 169 2HB ARG 18 HB1 ARG 18 57.339 5.977 8.417 170 1HG ARG 18 HG2 ARG 18 55.355 7.172 7.649 171 2HG ARG 18 HG1 ARG 18 54.379 6.421 8.912 172 1HD ARG 18 HD2 ARG 18 55.564 7.571 10.643 173 2HD ARG 18 HD1 ARG 18 56.822 8.098 9.525 174 HE ARG 18 HE ARG 18 55.073 9.561 8.462 175 1HH1 ARG 18 HH21 ARG 18 52.521 8.956 9.341 176 2HH1 ARG 18 HH22 ARG 18 52.278 9.840 10.810 177 1HH2 ARG 18 HH11 ARG 18 55.659 10.405 11.338 178 2HH2 ARG 18 HH12 ARG 18 54.056 10.660 11.943 179 H VAL 19 HN VAL 19 58.064 3.135 7.418 180 HA VAL 19 HA VAL 19 58.868 4.544 5.031 181 HB VAL 19 HB VAL 19 60.261 3.032 6.803 182 1HG1 VAL 19 HG13 VAL 19 59.883 1.222 4.393 183 2HG1 VAL 19 HG12 VAL 19 61.090 1.009 5.654 184 3HG1 VAL 19 HG11 VAL 19 59.377 0.866 6.047 185 1HG2 VAL 19 HG23 VAL 19 61.135 4.645 5.148 186 2HG2 VAL 19 HG22 VAL 19 62.102 3.169 5.163 187 3HG2 VAL 19 HG21 VAL 19 60.931 3.444 3.873 188 NH1 ARG 20 NH1 ARG 20 54.273 -5.463 3.286 189 NH2 ARG 20 NH2 ARG 20 55.907 -6.036 4.740 190 H ARG 20 HN ARG 20 57.346 1.403 5.637 191 HA ARG 20 HA ARG 20 57.254 0.590 2.896 192 1HB ARG 20 HB2 ARG 20 56.559 -0.565 5.305 193 2HB ARG 20 HB1 ARG 20 54.987 -0.283 4.560 194 1HG ARG 20 HG2 ARG 20 56.008 -1.353 2.441 195 2HG ARG 20 HG1 ARG 20 57.289 -1.928 3.509 196 1HD ARG 20 HD2 ARG 20 55.189 -2.684 4.987 197 2HD ARG 20 HD1 ARG 20 54.413 -2.718 3.404 198 HE ARG 20 HE ARG 20 56.920 -4.085 3.241 199 1HH1 ARG 20 HH11 ARG 20 53.884 -4.814 2.632 200 2HH1 ARG 20 HH12 ARG 20 53.798 -6.320 3.482 201 1HH2 ARG 20 HH21 ARG 20 56.769 -5.827 5.200 202 2HH2 ARG 20 HH22 ARG 20 55.432 -6.895 4.935 203 CH2 TRP 21 CH2 TRP 21 50.819 -1.488 2.547 204 H TRP 21 HN TRP 21 54.785 2.207 4.921 205 HA TRP 21 HA TRP 21 53.110 2.532 2.577 206 1HB TRP 21 HB2 TRP 21 52.843 3.105 5.439 207 2HB TRP 21 HB1 TRP 21 52.139 4.372 4.426 208 HD1 TRP 21 HD1 TRP 21 49.595 3.695 4.631 209 HE1 TRP 21 HE1 TRP 21 48.239 1.656 3.802 210 HE3 TRP 21 HE3 TRP 21 53.390 0.524 3.403 211 HZ2 TRP 21 HZ2 TRP 21 48.743 -0.986 2.729 212 HZ3 TRP 21 HZ3 TRP 21 52.968 -1.695 2.485 213 HH2 TRP 21 HH2 TRP 21 50.629 -2.466 2.130 214 H SER 22 HN SER 22 55.915 4.106 3.639 215 HA SER 22 HA SER 22 55.335 6.708 2.482 216 1HB SER 22 HB2 SER 22 57.150 6.802 3.996 217 2HB SER 22 HB1 SER 22 57.837 5.294 3.411 218 HG SER 22 HG SER 22 58.635 7.604 2.731 219 H LEU 23 HN LEU 23 56.706 3.594 1.509 220 HA LEU 23 HA LEU 23 57.550 4.206 -1.150 221 1HB LEU 23 HB2 LEU 23 56.173 1.689 -0.131 222 2HB LEU 23 HB1 LEU 23 57.046 1.812 -1.638 223 HG LEU 23 HG LEU 23 58.492 2.518 0.877 224 1HD1 LEU 23 HD13 LEU 23 57.096 0.234 0.932 225 2HD1 LEU 23 HD12 LEU 23 58.452 -0.334 -0.040 226 3HD1 LEU 23 HD11 LEU 23 58.734 0.316 1.575 227 1HD2 LEU 23 HD22 LEU 23 59.257 2.508 -1.701 228 2HD2 LEU 23 HD21 LEU 23 60.370 2.055 -0.410 229 3HD2 LEU 23 HD23 LEU 23 59.547 0.806 -1.343 230 H GLU 24 HN GLU 24 54.454 3.206 0.219 231 HA GLU 24 HA GLU 24 52.850 3.089 -2.094 232 1HB GLU 24 HB2 GLU 24 52.164 2.512 0.269 233 2HB GLU 24 HB1 GLU 24 51.960 4.239 0.560 234 1HG GLU 24 HG2 GLU 24 50.531 4.023 -1.712 235 2HG GLU 24 HG1 GLU 24 50.310 2.389 -1.085 236 H THR 25 HN THR 25 53.337 5.959 -0.007 237 HA THR 25 HA THR 25 51.791 7.757 -1.552 238 HB THR 25 HB THR 25 53.524 9.469 -0.506 239 HG1 THR 25 HG1 THR 25 54.942 8.584 0.748 240 1HG2 THR 25 HG23 THR 25 51.109 8.333 0.309 241 2HG2 THR 25 HG22 THR 25 52.165 8.141 1.709 242 3HG2 THR 25 HG21 THR 25 51.889 9.744 1.027 243 H MET 26 HN MET 26 55.079 6.602 -2.048 244 HA MET 26 HA MET 26 55.656 8.685 -4.045 245 1HB MET 26 HB2 MET 26 57.317 7.402 -2.462 246 2HB MET 26 HB1 MET 26 57.294 6.191 -3.744 247 1HG MET 26 HG2 MET 26 58.189 7.674 -5.335 248 2HG MET 26 HG1 MET 26 57.740 9.098 -4.396 249 1HE MET 26 HE1 MET 26 58.760 9.795 -2.193 250 2HE MET 26 HE3 MET 26 60.525 9.913 -2.228 251 3HE MET 26 HE2 MET 26 59.574 10.467 -3.603 252 H PHE 27 HN PHE 27 54.343 5.450 -4.061 253 HA PHE 27 HA PHE 27 54.817 5.147 -6.959 254 1HB PHE 27 HB2 PHE 27 53.737 3.343 -4.805 255 2HB PHE 27 HB1 PHE 27 53.442 2.980 -6.501 256 HD1 PHE 27 HD1 PHE 27 55.515 3.039 -8.092 257 HD2 PHE 27 HD2 PHE 27 55.768 2.687 -3.821 258 HE1 PHE 27 HE1 PHE 27 57.808 2.117 -8.300 259 HE2 PHE 27 HE2 PHE 27 58.055 1.767 -4.026 260 HZ PHE 27 HZ PHE 27 59.077 1.484 -6.263 261 H LEU 28 HN LEU 28 52.349 6.408 -4.923 262 HA LEU 28 HA LEU 28 50.201 5.797 -6.844 263 1HB LEU 28 HB2 LEU 28 50.270 7.212 -4.180 264 2HB LEU 28 HB1 LEU 28 48.820 7.165 -5.185 265 HG LEU 28 HG LEU 28 50.349 4.710 -4.270 266 1HD1 LEU 28 HD12 LEU 28 49.156 6.064 -2.460 267 2HD1 LEU 28 HD11 LEU 28 47.653 5.668 -3.293 268 3HD1 LEU 28 HD13 LEU 28 48.655 4.380 -2.622 269 1HD2 LEU 28 HD23 LEU 28 48.003 5.223 -6.036 270 2HD2 LEU 28 HD22 LEU 28 49.203 3.932 -6.109 271 3HD2 LEU 28 HD21 LEU 28 47.884 3.844 -4.941 272 H LYS 29 HN LYS 29 52.532 7.724 -7.463 273 HA LYS 29 HA LYS 29 50.903 10.161 -8.009 274 1HB LYS 29 HB2 LYS 29 53.018 11.314 -8.432 275 2HB LYS 29 HB1 LYS 29 53.095 10.512 -6.867 276 1HG LYS 29 HG2 LYS 29 54.237 8.565 -8.045 277 2HG LYS 29 HG1 LYS 29 54.351 9.601 -9.469 278 1HD LYS 29 HD2 LYS 29 55.308 10.662 -6.833 279 2HD LYS 29 HD1 LYS 29 56.332 9.531 -7.719 280 1HE LYS 29 HE2 LYS 29 56.561 10.976 -9.554 281 2HE LYS 29 HE1 LYS 29 55.121 11.900 -9.127 282 1HZ LYS 29 HZ3 LYS 29 57.380 11.841 -7.254 283 2HZ LYS 29 HZ2 LYS 29 57.483 12.833 -8.629 284 3HZ LYS 29 HZ1 LYS 29 56.223 13.055 -7.511 285 H CYS 30 HN CYS 30 53.023 7.787 -9.537 286 HA CYS 30 HA CYS 30 51.589 8.201 -12.082 287 1HB CYS 30 HB2 CYS 30 54.585 8.340 -11.684 288 2HB CYS 30 HB1 CYS 30 53.863 7.982 -13.253 289 HG CYS 30 HG CYS 30 53.481 10.684 -11.726 290 HA PRO 31 HA PRO 31 51.947 3.733 -11.627 291 1HB PRO 31 HB2 PRO 31 50.456 3.044 -13.813 292 2HB PRO 31 HB1 PRO 31 49.730 3.647 -12.313 293 1HG PRO 31 HG2 PRO 31 50.054 5.031 -14.924 294 2HG PRO 31 HG1 PRO 31 48.880 5.334 -13.634 295 1HD PRO 31 HD2 PRO 31 51.266 6.819 -14.165 296 2HD PRO 31 HD1 PRO 31 50.181 7.005 -12.772 297 H LYS 32 HN LYS 32 53.925 5.418 -13.394 298 HA LYS 32 HA LYS 32 54.625 3.206 -15.242 299 1HB LYS 32 HB2 LYS 32 55.578 4.986 -16.733 300 2HB LYS 32 HB1 LYS 32 53.829 5.092 -16.524 301 1HG LYS 32 HG2 LYS 32 54.016 6.908 -14.990 302 2HG LYS 32 HG1 LYS 32 55.747 6.642 -14.772 303 1HD LYS 32 HD2 LYS 32 54.782 7.193 -17.542 304 2HD LYS 32 HD1 LYS 32 54.813 8.543 -16.410 305 1HE LYS 32 HE2 LYS 32 57.033 8.743 -16.715 306 2HE LYS 32 HE1 LYS 32 57.265 7.114 -16.089 307 1HZ LYS 32 HZ2 LYS 32 56.300 7.199 -18.812 308 2HZ LYS 32 HZ1 LYS 32 57.831 7.902 -18.603 309 3HZ LYS 32 HZ3 LYS 32 57.568 6.296 -18.130 310 HA PRO 33 HA PRO 33 58.296 4.460 -12.517 311 1HB PRO 33 HB2 PRO 33 58.429 2.266 -10.871 312 2HB PRO 33 HB1 PRO 33 57.555 3.751 -10.455 313 1HG PRO 33 HG2 PRO 33 56.469 1.114 -11.339 314 2HG PRO 33 HG1 PRO 33 55.728 2.345 -10.301 315 1HD PRO 33 HD2 PRO 33 55.111 1.932 -13.021 316 2HD PRO 33 HD1 PRO 33 54.720 3.384 -12.075 317 H SER 34 HN SER 34 60.375 3.626 -12.957 318 HA SER 34 HA SER 34 60.512 1.507 -14.991 319 1HB SER 34 HB2 SER 34 61.763 3.819 -14.964 320 2HB SER 34 HB1 SER 34 62.895 2.961 -13.926 321 HG SER 34 HG SER 34 62.702 2.880 -16.560 322 H LEU 35 HN LEU 35 61.817 -0.364 -14.772 323 HA LEU 35 HA LEU 35 61.868 -1.599 -12.183 324 1HB LEU 35 HB2 LEU 35 63.162 -2.181 -14.837 325 2HB LEU 35 HB1 LEU 35 63.672 -3.086 -13.410 326 HG LEU 35 HG LEU 35 60.756 -2.817 -13.691 327 1HD1 LEU 35 HD13 LEU 35 62.379 -4.394 -15.709 328 2HD1 LEU 35 HD12 LEU 35 60.647 -4.603 -15.451 329 3HD1 LEU 35 HD11 LEU 35 61.270 -3.067 -16.055 330 1HD2 LEU 35 HD22 LEU 35 62.764 -4.977 -13.056 331 2HD2 LEU 35 HD21 LEU 35 61.525 -4.288 -12.009 332 3HD2 LEU 35 HD23 LEU 35 61.067 -5.374 -13.321 333 H GLN 36 HN GLN 36 64.017 0.518 -13.895 334 HA GLN 36 HA GLN 36 66.369 0.059 -12.238 335 1HB GLN 36 HB2 GLN 36 65.580 1.857 -14.417 336 2HB GLN 36 HB1 GLN 36 66.523 2.690 -13.182 337 1HG GLN 36 HG2 GLN 36 68.336 1.126 -13.392 338 2HG GLN 36 HG1 GLN 36 67.369 0.053 -14.405 339 1HE2 GLN 36 HE22 GLN 36 68.554 1.649 -17.300 340 2HE2 GLN 36 HE21 GLN 36 68.136 0.203 -16.515 341 H GLN 37 HN GLN 37 63.600 2.239 -12.212 342 HA GLN 37 HA GLN 37 64.401 3.834 -9.972 343 1HB GLN 37 HB2 GLN 37 62.478 4.278 -11.626 344 2HB GLN 37 HB1 GLN 37 61.539 3.141 -10.657 345 1HG GLN 37 HG2 GLN 37 61.430 4.555 -8.846 346 2HG GLN 37 HG1 GLN 37 62.999 5.284 -9.189 347 1HE2 GLN 37 HE22 GLN 37 59.978 6.620 -11.637 348 2HE2 GLN 37 HE21 GLN 37 60.158 4.953 -11.374 349 H ILE 38 HN ILE 38 62.929 0.644 -10.274 350 HA ILE 38 HA ILE 38 62.108 0.444 -7.517 351 HB ILE 38 HB ILE 38 62.573 -1.595 -9.704 352 1HG1 ILE 38 HG12 ILE 38 60.482 -0.308 -9.764 353 2HG1 ILE 38 HG11 ILE 38 60.142 -1.986 -9.346 354 1HG2 ILE 38 HG22 ILE 38 62.140 -2.091 -6.755 355 2HG2 ILE 38 HG21 ILE 38 61.494 -3.218 -7.947 356 3HG2 ILE 38 HG23 ILE 38 63.231 -2.921 -7.864 357 1HD1 ILE 38 HD13 ILE 38 60.356 -1.143 -6.867 358 2HD1 ILE 38 HD12 ILE 38 60.087 0.446 -7.577 359 3HD1 ILE 38 HD11 ILE 38 58.868 -0.814 -7.755 360 H THR 39 HN THR 39 65.051 -0.186 -9.306 361 HA THR 39 HA THR 39 66.520 -1.493 -7.209 362 HB THR 39 HB THR 39 68.033 0.354 -8.977 363 HG1 THR 39 HG1 THR 39 66.531 -1.833 -9.979 364 1HG2 THR 39 HG22 THR 39 68.184 -2.455 -7.961 365 2HG2 THR 39 HG21 THR 39 69.086 -2.033 -9.417 366 3HG2 THR 39 HG23 THR 39 69.399 -1.179 -7.906 367 H HIS 40 HN HIS 40 66.125 1.909 -8.118 368 HA HIS 40 HA HIS 40 67.749 2.970 -5.964 369 1HB HIS 40 HB2 HIS 40 65.707 4.144 -7.848 370 2HB HIS 40 HB1 HIS 40 66.363 5.098 -6.517 371 HD1 HIS 40 HD1 HIS 40 69.102 5.194 -6.458 372 HD2 HIS 40 HD2 HIS 40 67.353 4.093 -10.076 373 HE1 HIS 40 HE1 HIS 40 70.882 5.495 -8.234 374 H ILE 41 HN ILE 41 64.526 1.741 -6.182 375 HA ILE 41 HA ILE 41 63.411 3.133 -3.921 376 HB ILE 41 HB ILE 41 62.634 1.041 -5.798 377 1HG1 ILE 41 HG12 ILE 41 60.320 2.000 -4.652 378 2HG1 ILE 41 HG11 ILE 41 61.458 3.307 -4.332 379 1HG2 ILE 41 HG23 ILE 41 61.928 0.585 -2.904 380 2HG2 ILE 41 HG22 ILE 41 60.914 -0.002 -4.221 381 3HG2 ILE 41 HG21 ILE 41 62.574 -0.574 -4.066 382 1HD1 ILE 41 HD11 ILE 41 61.122 2.063 -7.071 383 2HD1 ILE 41 HD13 ILE 41 60.202 3.468 -6.541 384 3HD1 ILE 41 HD12 ILE 41 61.958 3.560 -6.666 385 H ALA 42 HN ALA 42 65.047 0.011 -4.381 386 HA ALA 42 HA ALA 42 64.937 -0.880 -1.687 387 1HB ALA 42 HB2 ALA 42 66.546 -1.538 -4.095 388 2HB ALA 42 HB1 ALA 42 67.235 -2.011 -2.542 389 3HB ALA 42 HB3 ALA 42 65.647 -2.610 -3.020 390 H ASN 43 HN ASN 43 67.575 0.799 -3.404 391 HA ASN 43 HA ASN 43 69.171 1.204 -1.059 392 1HB ASN 43 HB2 ASN 43 69.002 2.720 -3.677 393 2HB ASN 43 HB1 ASN 43 70.183 3.097 -2.423 394 1HD2 ASN 43 HD22 ASN 43 71.864 -0.133 -2.840 395 2HD2 ASN 43 HD21 ASN 43 71.311 0.870 -1.587 396 H GLN 44 HN GLN 44 66.234 2.641 -2.177 397 HA GLN 44 HA GLN 44 66.505 5.146 -0.763 398 1HB GLN 44 HB2 GLN 44 64.530 3.831 -2.473 399 2HB GLN 44 HB1 GLN 44 63.814 4.822 -1.208 400 1HG GLN 44 HG2 GLN 44 65.999 5.792 -3.068 401 2HG GLN 44 HG1 GLN 44 64.281 6.042 -3.374 402 1HE2 GLN 44 HE22 GLN 44 66.185 8.309 -0.574 403 2HE2 GLN 44 HE21 GLN 44 66.997 7.043 -1.361 404 H LEU 45 HN LEU 45 65.182 1.966 0.065 405 HA LEU 45 HA LEU 45 64.744 3.057 2.804 406 1HB LEU 45 HB2 LEU 45 62.646 2.005 3.080 407 2HB LEU 45 HB1 LEU 45 62.575 2.725 1.480 408 HG LEU 45 HG LEU 45 63.390 -0.151 1.869 409 1HD1 LEU 45 HD12 LEU 45 60.961 0.751 2.714 410 2HD1 LEU 45 HD11 LEU 45 60.623 0.438 1.012 411 3HD1 LEU 45 HD13 LEU 45 61.231 -0.854 2.043 412 1HD2 LEU 45 HD22 LEU 45 62.695 1.690 -0.356 413 2HD2 LEU 45 HD21 LEU 45 63.855 0.364 -0.308 414 3HD2 LEU 45 HD23 LEU 45 62.136 0.025 -0.497 415 H GLY 46 HN GLY 46 66.880 1.385 1.468 416 1HA GLY 46 HA2 GLY 46 68.217 -0.466 1.965 417 2HA GLY 46 HA1 GLY 46 67.753 -0.112 3.622 418 H LEU 47 HN LEU 47 65.315 -1.190 1.278 419 HA LEU 47 HA LEU 47 65.119 -3.693 2.886 420 1HB LEU 47 HB2 LEU 47 62.854 -3.713 2.599 421 2HB LEU 47 HB1 LEU 47 63.074 -2.008 2.276 422 HG LEU 47 HG LEU 47 62.836 -4.219 0.234 423 1HD1 LEU 47 HD11 LEU 47 60.805 -3.106 1.556 424 2HD1 LEU 47 HD13 LEU 47 61.026 -1.852 0.337 425 3HD1 LEU 47 HD12 LEU 47 60.677 -3.508 -0.155 426 1HD2 LEU 47 HD21 LEU 47 63.951 -1.548 0.015 427 2HD2 LEU 47 HD23 LEU 47 64.005 -2.877 -1.131 428 3HD2 LEU 47 HD22 LEU 47 62.617 -1.796 -1.099 429 H GLU 48 HN GLU 48 64.237 -5.603 1.476 430 HA GLU 48 HA GLU 48 66.174 -5.964 -0.728 431 1HB GLU 48 HB2 GLU 48 65.301 -8.351 -0.684 432 2HB GLU 48 HB1 GLU 48 66.143 -7.827 0.770 433 1HG GLU 48 HG2 GLU 48 64.087 -7.508 1.948 434 2HG GLU 48 HG1 GLU 48 63.151 -7.687 0.471 435 H LYS 49 HN LYS 49 65.476 -6.597 -2.816 436 HA LYS 49 HA LYS 49 63.151 -5.276 -3.791 437 1HB LYS 49 HB2 LYS 49 64.588 -7.573 -5.135 438 2HB LYS 49 HB1 LYS 49 63.621 -6.320 -5.910 439 1HG LYS 49 HG2 LYS 49 65.429 -4.989 -6.066 440 2HG LYS 49 HG1 LYS 49 65.632 -5.032 -4.316 441 1HD LYS 49 HD2 LYS 49 67.031 -6.967 -4.430 442 2HD LYS 49 HD1 LYS 49 66.609 -7.258 -6.118 443 1HE LYS 49 HE2 LYS 49 67.895 -5.443 -6.882 444 2HE LYS 49 HE1 LYS 49 67.923 -4.675 -5.295 445 1HZ LYS 49 HZ1 LYS 49 69.178 -7.308 -5.784 446 2HZ LYS 49 HZ3 LYS 49 70.019 -5.857 -6.038 447 3HZ LYS 49 HZ2 LYS 49 69.437 -6.240 -4.488 448 H ASP 50 HN ASP 50 63.429 -8.324 -2.197 449 HA ASP 50 HA ASP 50 61.133 -9.558 -3.484 450 1HB ASP 50 HB2 ASP 50 62.613 -10.212 -0.921 451 2HB ASP 50 HB1 ASP 50 61.315 -11.200 -1.593 452 H VAL 51 HN VAL 51 61.628 -7.516 -0.611 453 HA VAL 51 HA VAL 51 58.829 -7.942 0.213 454 HB VAL 51 HB VAL 51 60.532 -7.679 1.976 455 1HG1 VAL 51 HG13 VAL 51 61.279 -5.372 0.329 456 2HG1 VAL 51 HG12 VAL 51 61.166 -4.989 2.042 457 3HG1 VAL 51 HG11 VAL 51 62.238 -6.273 1.495 458 1HG2 VAL 51 HG21 VAL 51 58.567 -5.378 1.746 459 2HG2 VAL 51 HG23 VAL 51 58.285 -6.935 2.524 460 3HG2 VAL 51 HG22 VAL 51 59.430 -5.793 3.227 461 H VAL 52 HN VAL 52 60.799 -5.659 -1.576 462 HA VAL 52 HA VAL 52 58.735 -3.592 -1.575 463 HB VAL 52 HB VAL 52 61.421 -3.531 -2.046 464 1HG1 VAL 52 HG11 VAL 52 61.131 -4.626 -4.288 465 2HG1 VAL 52 HG13 VAL 52 60.220 -3.205 -4.801 466 3HG1 VAL 52 HG12 VAL 52 61.916 -3.048 -4.346 467 1HG2 VAL 52 HG22 VAL 52 59.454 -1.734 -1.735 468 2HG2 VAL 52 HG21 VAL 52 61.083 -1.270 -2.215 469 3HG2 VAL 52 HG23 VAL 52 59.822 -1.442 -3.434 470 NH1 ARG 53 NH2 ARG 53 57.976 -10.565 -9.940 471 NH2 ARG 53 NH1 ARG 53 56.077 -11.004 -8.796 472 H ARG 53 HN ARG 53 59.507 -6.389 -3.521 473 HA ARG 53 HA ARG 53 57.787 -5.568 -5.745 474 1HB ARG 53 HB2 ARG 53 59.868 -7.107 -5.862 475 2HB ARG 53 HB1 ARG 53 58.788 -8.370 -5.266 476 1HG ARG 53 HG2 ARG 53 57.833 -6.700 -7.550 477 2HG ARG 53 HG1 ARG 53 59.080 -7.902 -7.882 478 1HD ARG 53 HD2 ARG 53 56.891 -8.912 -6.190 479 2HD ARG 53 HD1 ARG 53 56.377 -8.424 -7.805 480 HE ARG 53 HE ARG 53 58.582 -10.391 -7.337 481 1HH1 ARG 53 HH21 ARG 53 58.902 -10.188 -9.969 482 2HH1 ARG 53 HH22 ARG 53 57.580 -10.979 -10.759 483 1HH2 ARG 53 HH11 ARG 53 55.549 -10.964 -7.948 484 2HH2 ARG 53 HH12 ARG 53 55.679 -11.418 -9.615 485 H VAL 54 HN VAL 54 57.587 -7.855 -3.005 486 HA VAL 54 HA VAL 54 55.031 -8.951 -3.739 487 HB VAL 54 HB VAL 54 56.204 -8.631 -0.954 488 1HG1 VAL 54 HG12 VAL 54 53.957 -10.266 -2.130 489 2HG1 VAL 54 HG11 VAL 54 54.801 -10.805 -0.678 490 3HG1 VAL 54 HG13 VAL 54 53.946 -9.262 -0.680 491 1HG2 VAL 54 HG23 VAL 54 57.472 -9.891 -2.940 492 2HG2 VAL 54 HG22 VAL 54 57.447 -10.550 -1.305 493 3HG2 VAL 54 HG21 VAL 54 56.335 -11.173 -2.524 494 CH2 TRP 55 CH2 TRP 55 54.188 0.951 -2.495 495 H TRP 55 HN TRP 55 55.923 -6.187 -1.640 496 HA TRP 55 HA TRP 55 53.193 -5.557 -0.979 497 1HB TRP 55 HB2 TRP 55 54.808 -4.521 0.431 498 2HB TRP 55 HB1 TRP 55 55.749 -3.929 -0.936 499 HD1 TRP 55 HD1 TRP 55 52.387 -3.263 0.886 500 HE1 TRP 55 HE1 TRP 55 51.650 -0.860 0.331 501 HE3 TRP 55 HE3 TRP 55 55.977 -1.949 -2.521 502 HZ2 TRP 55 HZ2 TRP 55 52.444 1.310 -1.297 503 HZ3 TRP 55 HZ3 TRP 55 55.917 0.292 -3.574 504 HH2 TRP 55 HH2 TRP 55 54.177 1.927 -2.953 505 H PHE 56 HN PHE 56 55.373 -4.497 -3.634 506 HA PHE 56 HA PHE 56 53.312 -2.759 -4.681 507 1HB PHE 56 HB2 PHE 56 55.971 -2.743 -5.101 508 2HB PHE 56 HB1 PHE 56 55.458 -3.625 -6.543 509 HD1 PHE 56 HD1 PHE 56 53.859 -0.865 -4.580 510 HD2 PHE 56 HD2 PHE 56 55.383 -2.126 -8.381 511 HE1 PHE 56 HE1 PHE 56 53.064 1.239 -5.574 512 HE2 PHE 56 HE2 PHE 56 54.566 -0.008 -9.392 513 HZ PHE 56 HZ PHE 56 53.391 1.663 -7.968 514 H CYS 57 HN CYS 57 53.613 -6.096 -4.745 515 HA CYS 57 HA CYS 57 52.461 -6.521 -7.391 516 1HB CYS 57 HB2 CYS 57 53.468 -8.170 -5.277 517 2HB CYS 57 HB1 CYS 57 51.786 -8.631 -5.524 518 HG CYS 57 HG CYS 57 52.850 -8.556 -8.232 519 H ASN 58 HN ASN 58 51.372 -6.092 -4.075 520 HA ASN 58 HA ASN 58 48.528 -6.326 -4.775 521 1HB ASN 58 HB2 ASN 58 49.652 -6.879 -2.492 522 2HB ASN 58 HB1 ASN 58 49.609 -5.136 -2.222 523 1HD2 ASN 58 HD22 ASN 58 46.025 -5.011 -1.981 524 2HD2 ASN 58 HD21 ASN 58 47.388 -4.089 -2.398 525 NH1 ARG 59 NH2 ARG 59 48.291 0.205 -1.175 526 NH2 ARG 59 NH1 ARG 59 47.358 2.022 -2.142 527 H ARG 59 HN ARG 59 50.954 -3.797 -4.486 528 HA ARG 59 HA ARG 59 48.998 -1.618 -4.445 529 1HB ARG 59 HB2 ARG 59 51.799 -1.818 -3.941 530 2HB ARG 59 HB1 ARG 59 51.624 -0.729 -5.307 531 1HG ARG 59 HG2 ARG 59 50.390 -0.461 -2.565 532 2HG ARG 59 HG1 ARG 59 51.538 0.616 -3.351 533 1HD ARG 59 HD2 ARG 59 49.720 1.837 -3.936 534 2HD ARG 59 HD1 ARG 59 49.458 0.592 -5.156 535 HE ARG 59 HE ARG 59 47.639 -0.216 -3.873 536 1HH1 ARG 59 HH21 ARG 59 48.760 -0.675 -1.256 537 2HH1 ARG 59 HH22 ARG 59 48.068 0.571 -0.272 538 1HH2 ARG 59 HH11 ARG 59 47.111 2.534 -2.965 539 2HH2 ARG 59 HH12 ARG 59 47.137 2.389 -1.239 540 NH1 ARG 60 NH1 ARG 60 54.160 -6.553 -11.228 541 NH2 ARG 60 NH2 ARG 60 51.975 -7.122 -11.353 542 H ARG 60 HN ARG 60 50.380 -3.648 -6.864 543 HA ARG 60 HA ARG 60 50.164 -1.683 -9.028 544 1HB ARG 60 HB2 ARG 60 51.086 -4.478 -8.716 545 2HB ARG 60 HB1 ARG 60 50.334 -4.118 -10.270 546 1HG ARG 60 HG2 ARG 60 51.885 -2.347 -10.714 547 2HG ARG 60 HG1 ARG 60 52.495 -2.380 -9.060 548 1HD ARG 60 HD2 ARG 60 54.015 -3.521 -10.693 549 2HD ARG 60 HD1 ARG 60 53.457 -4.587 -9.404 550 HE ARG 60 HE ARG 60 51.941 -4.601 -11.955 551 1HH1 ARG 60 HH11 ARG 60 54.870 -5.851 -11.178 552 2HH1 ARG 60 HH12 ARG 60 54.412 -7.521 -11.230 553 1HH2 ARG 60 HH21 ARG 60 51.012 -6.856 -11.400 554 2HH2 ARG 60 HH22 ARG 60 52.228 -8.089 -11.355 555 H GLN 61 HN GLN 61 48.413 -4.656 -8.071 556 HA GLN 61 HA GLN 61 46.223 -3.909 -9.933 557 1HB GLN 61 HB2 GLN 61 46.478 -6.401 -8.223 558 2HB GLN 61 HB1 GLN 61 45.378 -6.151 -9.578 559 1HG GLN 61 HG2 GLN 61 47.652 -5.657 -10.874 560 2HG GLN 61 HG1 GLN 61 48.321 -6.676 -9.599 561 1HE2 GLN 61 HE21 GLN 61 47.373 -8.897 -9.378 562 2HE2 GLN 61 HE22 GLN 61 46.658 -9.635 -10.729 563 H LYS 62 HN LYS 62 46.343 -2.102 -7.980 564 HA LYS 62 HA LYS 62 44.639 -2.835 -5.722 565 1HB LYS 62 HB2 LYS 62 44.773 -0.415 -5.188 566 2HB LYS 62 HB1 LYS 62 46.366 -1.124 -5.447 567 1HG LYS 62 HG2 LYS 62 46.729 0.055 -7.375 568 2HG LYS 62 HG1 LYS 62 45.033 0.003 -7.852 569 1HD LYS 62 HD2 LYS 62 44.705 1.581 -5.766 570 2HD LYS 62 HD1 LYS 62 46.420 1.914 -6.001 571 1HE LYS 62 HE2 LYS 62 45.881 3.358 -7.640 572 2HE LYS 62 HE1 LYS 62 45.213 2.019 -8.573 573 1HZ LYS 62 HZ3 LYS 62 43.618 3.208 -6.410 574 2HZ LYS 62 HZ2 LYS 62 43.717 4.010 -7.904 575 3HZ LYS 62 HZ1 LYS 62 43.100 2.429 -7.824 576 H GLY 63 HN GLY 63 44.208 -1.629 -8.959 577 1HA GLY 63 HA2 GLY 63 41.283 -1.605 -8.524 578 2HA GLY 63 HA1 GLY 63 42.017 -0.142 -9.182 579 H LYS 64 HN LYS 64 41.831 -3.657 -9.776 580 HA LYS 64 HA LYS 64 41.441 -3.134 -12.643 581 1HB LYS 64 HB2 LYS 64 44.018 -3.443 -11.879 582 2HB LYS 64 HB1 LYS 64 43.567 -5.134 -12.096 583 1HG LYS 64 HG2 LYS 64 42.659 -4.519 -14.367 584 2HG LYS 64 HG1 LYS 64 43.348 -2.911 -14.143 585 1HD LYS 64 HD2 LYS 64 45.461 -3.629 -14.552 586 2HD LYS 64 HD1 LYS 64 45.250 -5.090 -13.588 587 1HE LYS 64 HE2 LYS 64 43.679 -5.777 -15.629 588 2HE LYS 64 HE1 LYS 64 44.712 -4.639 -16.494 589 1HZ LYS 64 HZ1 LYS 64 46.592 -5.945 -15.289 590 2HZ LYS 64 HZ3 LYS 64 45.423 -7.171 -15.186 591 3HZ LYS 64 HZ2 LYS 64 45.893 -6.571 -16.705 592 NH1 ARG 65 NH2 ARG 65 40.754 -11.883 -14.312 593 NH2 ARG 65 NH1 ARG 65 42.496 -11.209 -15.583 594 H ARG 65 HN ARG 65 42.243 -5.777 -10.385 595 HA ARG 65 HA ARG 65 39.799 -7.183 -11.366 596 1HB ARG 65 HB2 ARG 65 42.600 -8.240 -11.034 597 2HB ARG 65 HB1 ARG 65 41.215 -9.323 -10.888 598 1HG ARG 65 HG2 ARG 65 40.557 -9.001 -13.111 599 2HG ARG 65 HG1 ARG 65 41.421 -7.469 -13.246 600 1HD ARG 65 HD2 ARG 65 42.848 -8.879 -14.424 601 2HD ARG 65 HD1 ARG 65 43.543 -8.978 -12.806 602 HE ARG 65 HE ARG 65 42.657 -11.198 -12.597 603 1HH1 ARG 65 HH21 ARG 65 40.290 -11.918 -13.427 604 2HH1 ARG 65 HH22 ARG 65 40.347 -12.331 -15.108 605 1HH2 ARG 65 HH11 ARG 65 43.367 -10.726 -15.673 606 2HH2 ARG 65 HH12 ARG 65 42.089 -11.658 -16.379 607 H SER 66 HN SER 66 38.672 -6.471 -9.475 608 HA SER 66 HA SER 66 39.769 -7.177 -6.829 609 1HB SER 66 HB2 SER 66 37.621 -6.168 -6.002 610 2HB SER 66 HB1 SER 66 38.579 -5.070 -6.992 611 HG SER 66 HG SER 66 37.066 -5.099 -8.459 612 H SER 67 HN SER 67 39.721 -9.403 -6.608 613 HA SER 67 HA SER 67 37.097 -10.760 -7.073 614 1HB SER 67 HB2 SER 67 38.417 -12.856 -7.180 615 2HB SER 67 HB1 SER 67 38.946 -11.695 -8.395 616 HG SER 67 HG SER 67 40.832 -11.941 -7.508 Start of MODEL 8 Raw file had 616 H/Q atoms Start of MODEL 8 1 1H MET 1 HT2 MET 1 45.630 28.227 13.602 2 2H MET 1 HT1 MET 1 45.702 28.303 15.298 3 3H MET 1 HT3 MET 1 47.033 28.798 14.370 4 HA MET 1 HA MET 1 47.629 26.693 15.149 5 1HB MET 1 HB2 MET 1 44.769 26.005 14.451 6 2HB MET 1 HB1 MET 1 45.984 24.758 14.733 7 1HG MET 1 HG2 MET 1 45.821 26.929 16.762 8 2HG MET 1 HG1 MET 1 44.473 25.793 16.719 9 1HE MET 1 HE1 MET 1 44.711 23.559 16.273 10 2HE MET 1 HE3 MET 1 46.195 22.596 16.260 11 3HE MET 1 HE2 MET 1 45.237 22.725 17.733 12 H GLU 2 HN GLU 2 48.812 27.556 13.158 13 HA GLU 2 HA GLU 2 48.154 25.911 10.746 14 1HB GLU 2 HB2 GLU 2 49.219 28.672 11.106 15 2HB GLU 2 HB1 GLU 2 49.884 27.730 9.771 16 1HG GLU 2 HG2 GLU 2 47.554 27.250 9.004 17 2HG GLU 2 HG1 GLU 2 46.951 28.313 10.276 18 H THR 3 HN THR 3 50.854 27.207 12.684 19 HA THR 3 HA THR 3 52.733 25.298 11.465 20 HB THR 3 HB THR 3 54.182 26.350 13.456 21 HG1 THR 3 HG1 THR 3 52.920 27.691 14.476 22 1HG2 THR 3 HG21 THR 3 54.250 26.613 10.846 23 2HG2 THR 3 HG23 THR 3 53.517 28.183 11.176 24 3HG2 THR 3 HG22 THR 3 55.092 27.782 11.862 25 H LEU 4 HN LEU 4 51.413 23.415 12.219 26 HA LEU 4 HA LEU 4 52.243 22.627 14.970 27 1HB LEU 4 HB2 LEU 4 49.834 23.349 14.948 28 2HB LEU 4 HB1 LEU 4 49.513 22.062 13.786 29 HG LEU 4 HG LEU 4 50.856 20.674 15.716 30 1HD1 LEU 4 HD12 LEU 4 50.717 22.941 17.033 31 2HD1 LEU 4 HD11 LEU 4 49.045 22.461 17.316 32 3HD1 LEU 4 HD13 LEU 4 50.364 21.430 17.871 33 1HD2 LEU 4 HD21 LEU 4 48.580 20.279 14.592 34 2HD2 LEU 4 HD23 LEU 4 48.741 19.718 16.256 35 3HD2 LEU 4 HD22 LEU 4 47.888 21.222 15.911 36 H VAL 5 HN VAL 5 50.545 21.283 12.133 37 HA VAL 5 HA VAL 5 52.110 18.788 12.434 38 HB VAL 5 HB VAL 5 50.484 17.912 10.757 39 1HG1 VAL 5 HG11 VAL 5 49.711 19.070 13.389 40 2HG1 VAL 5 HG13 VAL 5 48.409 18.477 12.358 41 3HG1 VAL 5 HG12 VAL 5 49.704 17.388 12.857 42 1HG2 VAL 5 HG22 VAL 5 50.123 20.395 9.911 43 2HG2 VAL 5 HG21 VAL 5 48.809 19.223 9.819 44 3HG2 VAL 5 HG23 VAL 5 48.853 20.395 11.135 45 H GLN 6 HN GLN 6 53.330 21.277 11.378 46 HA GLN 6 HA GLN 6 53.674 20.688 8.493 47 1HB GLN 6 HB2 GLN 6 54.202 22.993 10.282 48 2HB GLN 6 HB1 GLN 6 55.378 22.754 8.990 49 1HG GLN 6 HG2 GLN 6 53.605 22.772 7.315 50 2HG GLN 6 HG1 GLN 6 52.377 22.886 8.576 51 1HE2 GLN 6 HE22 GLN 6 52.539 26.395 8.441 52 2HE2 GLN 6 HE21 GLN 6 51.580 24.997 8.536 53 H ALA 7 HN ALA 7 55.054 19.002 8.161 54 HA ALA 7 HA ALA 7 57.182 18.260 9.925 55 1HB ALA 7 HB3 ALA 7 55.954 16.933 7.991 56 2HB ALA 7 HB2 ALA 7 57.272 17.573 7.010 57 3HB ALA 7 HB1 ALA 7 57.626 16.557 8.407 58 NH1 ARG 8 NH2 ARG 8 58.888 21.547 12.345 59 NH2 ARG 8 NH1 ARG 8 60.402 21.122 13.969 60 H ARG 8 HN ARG 8 59.410 17.926 8.266 61 HA ARG 8 HA ARG 8 60.135 20.676 7.442 62 1HB ARG 8 HB2 ARG 8 61.373 18.992 9.546 63 2HB ARG 8 HB1 ARG 8 62.493 19.823 8.465 64 1HG ARG 8 HG2 ARG 8 61.782 21.937 9.127 65 2HG ARG 8 HG1 ARG 8 60.195 21.357 9.633 66 1HD ARG 8 HD2 ARG 8 62.668 20.422 11.066 67 2HD ARG 8 HD1 ARG 8 61.947 21.980 11.467 68 HE ARG 8 HE ARG 8 60.588 19.343 11.791 69 1HH1 ARG 8 HH21 ARG 8 58.584 21.450 11.397 70 2HH1 ARG 8 HH22 ARG 8 58.336 22.068 12.996 71 1HH2 ARG 8 HH11 ARG 8 61.259 20.700 14.265 72 2HH2 ARG 8 HH12 ARG 8 59.850 21.643 14.620 73 H LYS 9 HN LYS 9 61.025 17.231 7.361 74 HA LYS 9 HA LYS 9 61.682 17.491 4.522 75 1HB LYS 9 HB2 LYS 9 63.719 17.038 6.660 76 2HB LYS 9 HB1 LYS 9 63.893 16.134 5.154 77 1HG LYS 9 HG2 LYS 9 63.448 18.498 4.053 78 2HG LYS 9 HG1 LYS 9 64.019 19.095 5.611 79 1HD LYS 9 HD2 LYS 9 66.164 18.475 5.200 80 2HD LYS 9 HD1 LYS 9 65.681 16.935 4.490 81 1HE LYS 9 HE2 LYS 9 66.592 18.082 2.655 82 2HE LYS 9 HE1 LYS 9 64.863 18.387 2.485 83 1HZ LYS 9 HZ2 LYS 9 66.585 20.230 4.018 84 2HZ LYS 9 HZ1 LYS 9 66.464 20.357 2.328 85 3HZ LYS 9 HZ3 LYS 9 65.079 20.533 3.291 86 NH1 ARG 10 NH1 ARG 10 63.062 10.042 6.208 87 NH2 ARG 10 NH2 ARG 10 63.827 10.938 8.137 88 H ARG 10 HN ARG 10 59.603 16.148 4.952 89 HA ARG 10 HA ARG 10 60.327 13.333 4.675 90 1HB ARG 10 HB2 ARG 10 59.630 14.250 7.215 91 2HB ARG 10 HB1 ARG 10 58.129 13.566 6.596 92 1HG ARG 10 HG2 ARG 10 59.005 11.594 7.335 93 2HG ARG 10 HG1 ARG 10 59.915 11.649 5.825 94 1HD ARG 10 HD2 ARG 10 61.750 12.847 7.014 95 2HD ARG 10 HD1 ARG 10 60.852 12.672 8.523 96 HE ARG 10 HE ARG 10 61.057 10.156 8.121 97 1HH1 ARG 10 HH11 ARG 10 62.299 9.795 5.611 98 2HH1 ARG 10 HH12 ARG 10 64.001 9.850 5.925 99 1HH2 ARG 10 HH21 ARG 10 63.650 11.378 9.018 100 2HH2 ARG 10 HH22 ARG 10 64.766 10.746 7.854 101 H LYS 11 HN LYS 11 59.040 15.551 3.123 102 HA LYS 11 HA LYS 11 56.238 14.809 2.869 103 1HB LYS 11 HB2 LYS 11 58.042 16.888 1.840 104 2HB LYS 11 HB1 LYS 11 56.870 16.339 0.647 105 1HG LYS 11 HG2 LYS 11 55.463 17.816 1.653 106 2HG LYS 11 HG1 LYS 11 55.297 16.570 2.889 107 1HD LYS 11 HD2 LYS 11 55.959 18.281 4.266 108 2HD LYS 11 HD1 LYS 11 57.563 17.750 3.761 109 1HE LYS 11 HE2 LYS 11 57.677 19.450 2.061 110 2HE LYS 11 HE1 LYS 11 55.981 19.873 2.292 111 1HZ LYS 11 HZ1 LYS 11 56.614 20.432 4.643 112 2HZ LYS 11 HZ3 LYS 11 58.236 20.311 4.159 113 3HZ LYS 11 HZ2 LYS 11 57.223 21.475 3.449 114 NH1 ARG 12 NH2 ARG 12 50.991 15.423 0.157 115 NH2 ARG 12 NH1 ARG 12 51.698 16.265 -1.818 116 H ARG 12 HN ARG 12 55.841 14.779 0.116 117 HA ARG 12 HA ARG 12 56.872 12.100 -0.574 118 1HB ARG 12 HB2 ARG 12 54.974 13.914 -2.098 119 2HB ARG 12 HB1 ARG 12 55.274 12.206 -2.422 120 1HG ARG 12 HG2 ARG 12 54.028 11.505 -0.628 121 2HG ARG 12 HG1 ARG 12 54.467 12.902 0.356 122 1HD ARG 12 HD2 ARG 12 52.621 13.084 -2.036 123 2HD ARG 12 HD1 ARG 12 52.041 12.841 -0.388 124 HE ARG 12 HE ARG 12 53.812 15.118 -0.526 125 1HH1 ARG 12 HH21 ARG 12 51.130 14.813 0.937 126 2HH1 ARG 12 HH22 ARG 12 50.174 15.997 0.110 127 1HH2 ARG 12 HH11 ARG 12 52.378 16.300 -2.551 128 2HH2 ARG 12 HH12 ARG 12 50.881 16.840 -1.866 129 H THR 13 HN THR 13 59.119 13.266 -0.663 130 HA THR 13 HA THR 13 59.634 14.856 -3.061 131 HB THR 13 HB THR 13 61.745 13.482 -1.401 132 HG1 THR 13 HG1 THR 13 60.604 14.458 0.153 133 1HG2 THR 13 HG22 THR 13 62.418 14.707 -3.438 134 2HG2 THR 13 HG21 THR 13 61.620 16.155 -2.824 135 3HG2 THR 13 HG23 THR 13 63.025 15.499 -1.984 136 H SER 14 HN SER 14 60.108 11.528 -1.980 137 HA SER 14 HA SER 14 60.188 10.640 -4.767 138 1HB SER 14 HB2 SER 14 62.616 11.180 -3.599 139 2HB SER 14 HB1 SER 14 62.420 9.466 -3.243 140 HG SER 14 HG SER 14 61.959 9.192 -5.504 141 H ILE 15 HN ILE 15 58.577 10.299 -2.273 142 HA ILE 15 HA ILE 15 58.205 7.403 -2.507 143 HB ILE 15 HB ILE 15 59.046 8.684 0.109 144 1HG1 ILE 15 HG12 ILE 15 60.864 7.824 -1.327 145 2HG1 ILE 15 HG11 ILE 15 60.697 6.847 0.126 146 1HG2 ILE 15 HG21 ILE 15 57.401 6.237 -0.409 147 2HG2 ILE 15 HG23 ILE 15 58.626 6.149 0.859 148 3HG2 ILE 15 HG22 ILE 15 57.345 7.358 0.951 149 1HD1 ILE 15 HD11 ILE 15 59.240 5.259 -1.217 150 2HD1 ILE 15 HD13 ILE 15 59.705 6.161 -2.656 151 3HD1 ILE 15 HD12 ILE 15 60.925 5.315 -1.719 152 H GLU 16 HN GLU 16 56.360 8.619 -3.520 153 HA GLU 16 HA GLU 16 54.441 9.950 -1.851 154 1HB GLU 16 HB2 GLU 16 54.766 9.676 -4.559 155 2HB GLU 16 HB1 GLU 16 53.441 8.552 -4.259 156 1HG GLU 16 HG2 GLU 16 52.185 10.333 -3.104 157 2HG GLU 16 HG1 GLU 16 53.512 11.460 -3.393 158 H ASN 17 HN ASN 17 52.319 8.987 -1.290 159 HA ASN 17 HA ASN 17 52.586 6.453 0.000 160 1HB ASN 17 HB2 ASN 17 50.386 8.387 -0.488 161 2HB ASN 17 HB1 ASN 17 49.887 6.722 -0.189 162 1HD2 ASN 17 HD22 ASN 17 50.434 8.682 3.058 163 2HD2 ASN 17 HD21 ASN 17 49.635 9.125 1.628 164 NH1 ARG 18 NH2 ARG 18 46.562 8.178 -8.195 165 NH2 ARG 18 NH1 ARG 18 45.596 6.135 -8.206 166 H ARG 18 HN ARG 18 51.704 7.331 -3.248 167 HA ARG 18 HA ARG 18 50.457 4.756 -3.847 168 1HB ARG 18 HB2 ARG 18 50.541 7.291 -5.084 169 2HB ARG 18 HB1 ARG 18 51.399 6.213 -6.184 170 1HG ARG 18 HG2 ARG 18 49.518 4.705 -6.290 171 2HG ARG 18 HG1 ARG 18 48.682 5.575 -5.004 172 1HD ARG 18 HD2 ARG 18 49.091 7.611 -6.741 173 2HD ARG 18 HD1 ARG 18 48.972 6.267 -7.877 174 HE ARG 18 HE ARG 18 46.839 6.317 -5.870 175 1HH1 ARG 18 HH21 ARG 18 47.226 8.821 -7.813 176 2HH1 ARG 18 HH22 ARG 18 45.970 8.461 -8.951 177 1HH2 ARG 18 HH11 ARG 18 45.520 5.211 -7.831 178 2HH2 ARG 18 HH12 ARG 18 45.005 6.419 -8.961 179 H VAL 19 HN VAL 19 53.665 6.187 -3.981 180 HA VAL 19 HA VAL 19 54.813 4.255 -5.750 181 HB VAL 19 HB VAL 19 55.774 6.569 -4.722 182 1HG1 VAL 19 HG12 VAL 19 56.953 4.408 -2.963 183 2HG1 VAL 19 HG11 VAL 19 57.885 5.817 -3.415 184 3HG1 VAL 19 HG13 VAL 19 56.385 6.015 -2.516 185 1HG2 VAL 19 HG22 VAL 19 57.085 4.151 -5.918 186 2HG2 VAL 19 HG21 VAL 19 56.764 5.722 -6.652 187 3HG2 VAL 19 HG23 VAL 19 58.078 5.544 -5.488 188 NH1 ARG 20 NH2 ARG 20 56.041 6.615 3.432 189 NH2 ARG 20 NH1 ARG 20 55.254 4.820 4.555 190 H ARG 20 HN ARG 20 54.585 4.391 -2.208 191 HA ARG 20 HA ARG 20 55.984 1.955 -1.704 192 1HB ARG 20 HB2 ARG 20 53.811 3.398 -0.185 193 2HB ARG 20 HB1 ARG 20 54.530 1.904 0.418 194 1HG ARG 20 HG2 ARG 20 56.804 3.082 0.037 195 2HG ARG 20 HG1 ARG 20 55.859 4.569 -0.049 196 1HD ARG 20 HD2 ARG 20 55.253 2.766 2.233 197 2HD ARG 20 HD1 ARG 20 56.818 3.578 2.276 198 HE ARG 20 HE ARG 20 54.465 5.283 1.730 199 1HH1 ARG 20 HH21 ARG 20 56.216 7.088 2.569 200 2HH1 ARG 20 HH22 ARG 20 56.293 7.047 4.298 201 1HH2 ARG 20 HH11 ARG 20 54.825 3.916 4.553 202 2HH2 ARG 20 HH12 ARG 20 55.509 5.250 5.421 203 CH2 TRP 21 CH2 TRP 21 52.511 -0.689 2.606 204 H TRP 21 HN TRP 21 52.475 2.459 -2.118 205 HA TRP 21 HA TRP 21 52.104 -0.422 -2.124 206 1HB TRP 21 HB2 TRP 21 50.077 1.737 -2.711 207 2HB TRP 21 HB1 TRP 21 49.720 0.028 -2.402 208 HD1 TRP 21 HD1 TRP 21 49.256 2.861 -0.486 209 HE1 TRP 21 HE1 TRP 21 49.964 2.661 1.991 210 HE3 TRP 21 HE3 TRP 21 52.172 -1.349 -0.695 211 HZ2 TRP 21 HZ2 TRP 21 51.599 0.954 3.646 212 HZ3 TRP 21 HZ3 TRP 21 53.312 -2.197 1.294 213 HH2 TRP 21 HH2 TRP 21 52.998 -1.082 3.485 214 H SER 22 HN SER 22 53.316 1.612 -4.381 215 HA SER 22 HA SER 22 52.298 0.198 -6.728 216 1HB SER 22 HB2 SER 22 54.204 2.422 -6.195 217 2HB SER 22 HB1 SER 22 54.605 1.392 -7.565 218 HG SER 22 HG SER 22 53.244 3.061 -8.232 219 H LEU 23 HN LEU 23 55.012 0.214 -4.455 220 HA LEU 23 HA LEU 23 56.717 -1.772 -5.607 221 1HB LEU 23 HB2 LEU 23 56.001 -1.358 -2.687 222 2HB LEU 23 HB1 LEU 23 57.361 -2.284 -3.251 223 HG LEU 23 HG LEU 23 57.147 0.590 -4.042 224 1HD1 LEU 23 HD13 LEU 23 56.702 0.121 -1.495 225 2HD1 LEU 23 HD12 LEU 23 58.413 -0.298 -1.441 226 3HD1 LEU 23 HD11 LEU 23 57.918 1.325 -1.923 227 1HD2 LEU 23 HD22 LEU 23 59.297 -1.487 -3.560 228 2HD2 LEU 23 HD21 LEU 23 59.016 -0.518 -5.007 229 3HD2 LEU 23 HD23 LEU 23 59.698 0.229 -3.563 230 H GLU 24 HN GLU 24 53.961 -1.903 -3.412 231 HA GLU 24 HA GLU 24 53.785 -4.690 -2.998 232 1HB GLU 24 HB2 GLU 24 52.056 -2.369 -2.668 233 2HB GLU 24 HB1 GLU 24 51.124 -3.789 -3.138 234 1HG GLU 24 HG2 GLU 24 53.205 -4.039 -0.988 235 2HG GLU 24 HG1 GLU 24 51.630 -3.348 -0.596 236 H THR 25 HN THR 25 52.477 -2.745 -5.678 237 HA THR 25 HA THR 25 50.990 -4.833 -6.936 238 HB THR 25 HB THR 25 52.409 -2.731 -8.547 239 HG1 THR 25 HG1 THR 25 51.193 -1.174 -7.712 240 1HG2 THR 25 HG23 THR 25 50.160 -4.516 -8.864 241 2HG2 THR 25 HG22 THR 25 49.623 -2.844 -9.021 242 3HG2 THR 25 HG21 THR 25 50.911 -3.457 -10.058 243 H MET 26 HN MET 26 54.383 -3.879 -7.149 244 HA MET 26 HA MET 26 55.000 -5.789 -9.269 245 1HB MET 26 HB2 MET 26 56.289 -3.671 -8.836 246 2HB MET 26 HB1 MET 26 56.926 -4.425 -7.373 247 1HG MET 26 HG2 MET 26 57.822 -6.289 -8.752 248 2HG MET 26 HG1 MET 26 57.244 -5.469 -10.202 249 1HE MET 26 HE1 MET 26 57.666 -3.255 -10.809 250 2HE MET 26 HE3 MET 26 57.994 -2.221 -9.411 251 3HE MET 26 HE2 MET 26 59.209 -2.416 -10.672 252 H PHE 27 HN PHE 27 54.881 -5.940 -5.776 253 HA PHE 27 HA PHE 27 56.482 -8.421 -5.704 254 1HB PHE 27 HB2 PHE 27 55.191 -6.721 -3.561 255 2HB PHE 27 HB1 PHE 27 55.855 -8.315 -3.222 256 HD1 PHE 27 HD2 PHE 27 58.276 -8.704 -4.400 257 HD2 PHE 27 HD1 PHE 27 56.619 -4.923 -3.213 258 HE1 PHE 27 HE2 PHE 27 60.557 -7.735 -4.296 259 HE2 PHE 27 HE1 PHE 27 58.898 -3.955 -3.111 260 HZ PHE 27 HZ PHE 27 60.865 -5.359 -3.651 261 H LEU 28 HN LEU 28 53.172 -7.592 -6.081 262 HA LEU 28 HA LEU 28 52.233 -10.088 -4.833 263 1HB LEU 28 HB2 LEU 28 50.779 -7.802 -6.177 264 2HB LEU 28 HB1 LEU 28 49.968 -9.228 -5.521 265 HG LEU 28 HG LEU 28 51.859 -7.514 -3.895 266 1HD1 LEU 28 HD12 LEU 28 49.537 -6.536 -4.832 267 2HD1 LEU 28 HD11 LEU 28 48.924 -7.414 -3.430 268 3HD1 LEU 28 HD13 LEU 28 50.142 -6.156 -3.219 269 1HD2 LEU 28 HD21 LEU 28 49.933 -9.761 -3.307 270 2HD2 LEU 28 HD23 LEU 28 51.647 -9.652 -2.906 271 3HD2 LEU 28 HD22 LEU 28 50.474 -8.659 -2.041 272 H LYS 29 HN LYS 29 53.853 -10.881 -6.711 273 HA LYS 29 HA LYS 29 52.091 -11.812 -8.941 274 1HB LYS 29 HB2 LYS 29 53.793 -10.331 -9.878 275 2HB LYS 29 HB1 LYS 29 55.058 -11.134 -8.955 276 1HG LYS 29 HG2 LYS 29 55.390 -12.517 -10.703 277 2HG LYS 29 HG1 LYS 29 53.782 -13.184 -10.432 278 1HD LYS 29 HD2 LYS 29 53.047 -10.982 -11.753 279 2HD LYS 29 HD1 LYS 29 54.673 -11.137 -12.417 280 1HE LYS 29 HE2 LYS 29 53.487 -12.464 -13.906 281 2HE LYS 29 HE1 LYS 29 53.963 -13.670 -12.710 282 1HZ LYS 29 HZ3 LYS 29 51.786 -13.105 -11.574 283 2HZ LYS 29 HZ2 LYS 29 51.349 -12.323 -13.017 284 3HZ LYS 29 HZ1 LYS 29 51.685 -13.988 -13.020 285 H CYS 30 HN CYS 30 55.154 -12.511 -7.313 286 HA CYS 30 HA CYS 30 54.236 -15.235 -6.672 287 1HB CYS 30 HB2 CYS 30 56.828 -14.547 -8.105 288 2HB CYS 30 HB1 CYS 30 56.448 -16.133 -7.438 289 HG CYS 30 HG CYS 30 55.661 -16.268 -9.887 290 HA PRO 31 HA PRO 31 56.419 -14.154 -2.969 291 1HB PRO 31 HB2 PRO 31 57.097 -16.632 -2.011 292 2HB PRO 31 HB1 PRO 31 55.438 -16.009 -1.985 293 1HG PRO 31 HG2 PRO 31 56.632 -18.088 -3.748 294 2HG PRO 31 HG1 PRO 31 54.939 -17.852 -3.281 295 1HD PRO 31 HD2 PRO 31 56.143 -17.089 -5.752 296 2HD PRO 31 HD1 PRO 31 54.514 -16.655 -5.197 297 H LYS 32 HN LYS 32 58.025 -15.339 -5.656 298 HA LYS 32 HA LYS 32 60.644 -15.340 -4.272 299 1HB LYS 32 HB2 LYS 32 61.399 -16.667 -6.320 300 2HB LYS 32 HB1 LYS 32 60.301 -17.501 -5.222 301 1HG LYS 32 HG2 LYS 32 58.401 -17.028 -6.670 302 2HG LYS 32 HG1 LYS 32 59.397 -16.020 -7.720 303 1HD LYS 32 HD2 LYS 32 60.841 -18.057 -8.147 304 2HD LYS 32 HD1 LYS 32 59.628 -19.012 -7.296 305 1HE LYS 32 HE2 LYS 32 58.250 -17.386 -9.199 306 2HE LYS 32 HE1 LYS 32 59.606 -18.149 -10.029 307 1HZ LYS 32 HZ3 LYS 32 57.922 -19.750 -8.230 308 2HZ LYS 32 HZ2 LYS 32 57.370 -19.399 -9.799 309 3HZ LYS 32 HZ1 LYS 32 58.829 -20.242 -9.576 310 HA PRO 33 HA PRO 33 60.627 -11.773 -7.249 311 1HB PRO 33 HB2 PRO 33 61.564 -9.880 -5.485 312 2HB PRO 33 HB1 PRO 33 59.842 -10.212 -5.742 313 1HG PRO 33 HG2 PRO 33 61.578 -10.970 -3.443 314 2HG PRO 33 HG1 PRO 33 59.827 -10.704 -3.489 315 1HD PRO 33 HD2 PRO 33 61.111 -13.230 -3.461 316 2HD PRO 33 HD1 PRO 33 59.405 -12.934 -3.859 317 H SER 34 HN SER 34 62.595 -10.687 -8.081 318 HA SER 34 HA SER 34 65.010 -12.265 -7.517 319 1HB SER 34 HB2 SER 34 64.342 -10.204 -9.617 320 2HB SER 34 HB1 SER 34 65.924 -10.967 -9.478 321 HG SER 34 HG SER 34 64.800 -12.223 -10.873 322 H LEU 35 HN LEU 35 66.865 -11.466 -6.581 323 HA LEU 35 HA LEU 35 66.722 -9.097 -4.954 324 1HB LEU 35 HB2 LEU 35 69.071 -10.749 -5.933 325 2HB LEU 35 HB1 LEU 35 69.246 -9.395 -4.817 326 HG LEU 35 HG LEU 35 67.114 -11.131 -3.918 327 1HD1 LEU 35 HD11 LEU 35 68.922 -12.642 -5.276 328 2HD1 LEU 35 HD13 LEU 35 69.672 -12.612 -3.679 329 3HD1 LEU 35 HD12 LEU 35 68.028 -13.222 -3.871 330 1HD2 LEU 35 HD22 LEU 35 69.672 -9.974 -2.891 331 2HD2 LEU 35 HD21 LEU 35 68.042 -9.856 -2.229 332 3HD2 LEU 35 HD23 LEU 35 68.980 -11.333 -2.004 333 H GLN 36 HN GLN 36 67.617 -9.761 -8.261 334 HA GLN 36 HA GLN 36 68.955 -7.239 -8.806 335 1HB GLN 36 HB2 GLN 36 67.548 -9.272 -10.569 336 2HB GLN 36 HB1 GLN 36 68.297 -7.812 -11.215 337 1HG GLN 36 HG2 GLN 36 70.426 -8.571 -10.841 338 2HG GLN 36 HG1 GLN 36 69.969 -9.450 -9.382 339 1HE2 GLN 36 HE22 GLN 36 68.881 -11.382 -12.839 340 2HE2 GLN 36 HE21 GLN 36 68.472 -9.748 -12.631 341 H GLN 37 HN GLN 37 65.663 -8.485 -8.926 342 HA GLN 37 HA GLN 37 64.449 -6.104 -10.000 343 1HB GLN 37 HB2 GLN 37 63.419 -8.435 -9.947 344 2HB GLN 37 HB1 GLN 37 63.115 -8.168 -8.230 345 1HG GLN 37 HG2 GLN 37 61.430 -6.677 -8.624 346 2HG GLN 37 HG1 GLN 37 62.247 -5.969 -10.018 347 1HE2 GLN 37 HE21 GLN 37 61.417 -9.427 -9.512 348 2HE2 GLN 37 HE22 GLN 37 60.393 -9.536 -10.862 349 H ILE 38 HN ILE 38 65.620 -7.007 -6.826 350 HA ILE 38 HA ILE 38 63.997 -5.043 -5.414 351 HB ILE 38 HB ILE 38 66.408 -6.686 -4.588 352 1HG1 ILE 38 HG12 ILE 38 64.242 -7.850 -4.737 353 2HG1 ILE 38 HG11 ILE 38 64.743 -7.703 -3.054 354 1HG2 ILE 38 HG23 ILE 38 65.065 -4.384 -3.171 355 2HG2 ILE 38 HG22 ILE 38 65.671 -5.741 -2.221 356 3HG2 ILE 38 HG21 ILE 38 66.778 -4.805 -3.224 357 1HD1 ILE 38 HD12 ILE 38 63.318 -5.381 -3.389 358 2HD1 ILE 38 HD11 ILE 38 62.438 -6.481 -4.447 359 3HD1 ILE 38 HD13 ILE 38 62.638 -6.872 -2.739 360 H THR 39 HN THR 39 67.105 -5.165 -7.008 361 HA THR 39 HA THR 39 68.089 -2.618 -6.052 362 HB THR 39 HB THR 39 68.767 -3.744 -8.767 363 HG1 THR 39 HG1 THR 39 69.544 -5.466 -7.889 364 1HG2 THR 39 HG22 THR 39 70.001 -1.978 -6.717 365 2HG2 THR 39 HG21 THR 39 71.091 -3.040 -7.608 366 3HG2 THR 39 HG23 THR 39 70.079 -1.886 -8.476 367 H HIS 40 HN HIS 40 66.165 -3.697 -8.811 368 HA HIS 40 HA HIS 40 65.868 -1.039 -9.976 369 1HB HIS 40 HB2 HIS 40 64.420 -3.665 -10.396 370 2HB HIS 40 HB1 HIS 40 64.001 -2.190 -11.271 371 HD1 HIS 40 HD1 HIS 40 66.516 -0.984 -12.146 372 HD2 HIS 40 HD2 HIS 40 66.120 -5.131 -11.998 373 HE1 HIS 40 HE1 HIS 40 68.292 -1.927 -13.685 374 H ILE 41 HN ILE 41 64.342 -2.824 -7.429 375 HA ILE 41 HA ILE 41 61.825 -1.415 -7.381 376 HB ILE 41 HB ILE 41 63.196 -3.470 -5.904 377 1HG1 ILE 41 HG12 ILE 41 60.535 -3.343 -4.992 378 2HG1 ILE 41 HG11 ILE 41 60.493 -2.700 -6.634 379 1HG2 ILE 41 HG23 ILE 41 61.956 -1.355 -4.145 380 2HG2 ILE 41 HG22 ILE 41 62.295 -3.004 -3.617 381 3HG2 ILE 41 HG21 ILE 41 63.619 -1.941 -4.097 382 1HD1 ILE 41 HD11 ILE 41 61.937 -5.268 -5.950 383 2HD1 ILE 41 HD13 ILE 41 60.230 -5.240 -6.394 384 3HD1 ILE 41 HD12 ILE 41 61.449 -4.688 -7.543 385 H ALA 42 HN ALA 42 64.975 -1.026 -5.856 386 HA ALA 42 HA ALA 42 64.391 1.239 -4.245 387 1HB ALA 42 HB1 ALA 42 66.946 0.207 -5.480 388 2HB ALA 42 HB3 ALA 42 66.916 1.634 -4.443 389 3HB ALA 42 HB2 ALA 42 66.422 0.066 -3.801 390 H ASN 43 HN ASN 43 65.883 1.061 -7.478 391 HA ASN 43 HA ASN 43 65.865 3.892 -7.927 392 1HB ASN 43 HB2 ASN 43 67.043 1.993 -9.284 393 2HB ASN 43 HB1 ASN 43 65.506 1.882 -10.142 394 1HD2 ASN 43 HD22 ASN 43 67.831 5.235 -10.615 395 2HD2 ASN 43 HD21 ASN 43 68.115 4.198 -9.302 396 H GLN 44 HN GLN 44 63.396 1.479 -7.903 397 HA GLN 44 HA GLN 44 61.480 2.743 -9.611 398 1HB GLN 44 HB2 GLN 44 61.711 0.369 -8.092 399 2HB GLN 44 HB1 GLN 44 60.252 1.172 -7.534 400 1HG GLN 44 HG2 GLN 44 60.918 0.567 -10.431 401 2HG GLN 44 HG1 GLN 44 59.816 -0.377 -9.429 402 1HE2 GLN 44 HE21 GLN 44 57.725 0.553 -8.910 403 2HE2 GLN 44 HE22 GLN 44 57.151 1.954 -9.678 404 H LEU 45 HN LEU 45 62.197 2.965 -6.140 405 HA LEU 45 HA LEU 45 60.325 5.288 -6.063 406 1HB LEU 45 HB2 LEU 45 59.475 4.681 -3.932 407 2HB LEU 45 HB1 LEU 45 59.447 3.212 -4.890 408 HG LEU 45 HG LEU 45 61.751 3.863 -3.053 409 1HD1 LEU 45 HD11 LEU 45 59.041 3.245 -2.303 410 2HD1 LEU 45 HD13 LEU 45 60.060 1.855 -1.930 411 3HD1 LEU 45 HD12 LEU 45 60.449 3.437 -1.261 412 1HD2 LEU 45 HD23 LEU 45 60.810 1.586 -4.719 413 2HD2 LEU 45 HD22 LEU 45 62.454 2.104 -4.346 414 3HD2 LEU 45 HD21 LEU 45 61.528 1.184 -3.160 415 H GLY 46 HN GLY 46 63.319 5.039 -6.366 416 1HA GLY 46 HA2 GLY 46 65.254 6.108 -5.590 417 2HA GLY 46 HA1 GLY 46 64.135 7.401 -5.186 418 H LEU 47 HN LEU 47 63.986 4.278 -3.527 419 HA LEU 47 HA LEU 47 64.896 5.716 -1.074 420 1HB LEU 47 HB2 LEU 47 63.396 4.551 0.202 421 2HB LEU 47 HB1 LEU 47 62.561 4.385 -1.326 422 HG LEU 47 HG LEU 47 64.335 2.350 0.014 423 1HD1 LEU 47 HD13 LEU 47 61.605 2.879 0.280 424 2HD1 LEU 47 HD12 LEU 47 61.668 1.518 -0.838 425 3HD1 LEU 47 HD11 LEU 47 62.419 1.388 0.746 426 1HD2 LEU 47 HD23 LEU 47 63.530 2.641 -2.788 427 2HD2 LEU 47 HD22 LEU 47 64.829 1.685 -2.094 428 3HD2 LEU 47 HD21 LEU 47 63.184 1.062 -2.110 429 H GLU 48 HN GLU 48 65.839 3.956 0.589 430 HA GLU 48 HA GLU 48 68.222 2.848 -0.782 431 1HB GLU 48 HB2 GLU 48 68.942 2.371 1.656 432 2HB GLU 48 HB1 GLU 48 68.859 4.054 1.153 433 1HG GLU 48 HG2 GLU 48 66.921 4.465 2.388 434 2HG GLU 48 HG1 GLU 48 66.455 2.766 2.409 435 H LYS 49 HN LYS 49 68.943 0.684 0.666 436 HA LYS 49 HA LYS 49 66.852 -1.268 -0.051 437 1HB LYS 49 HB2 LYS 49 69.723 -1.540 0.861 438 2HB LYS 49 HB1 LYS 49 68.664 -2.928 0.615 439 1HG LYS 49 HG2 LYS 49 68.622 -2.671 -1.675 440 2HG LYS 49 HG1 LYS 49 68.813 -0.919 -1.585 441 1HD LYS 49 HD2 LYS 49 71.117 -1.035 -1.407 442 2HD LYS 49 HD1 LYS 49 71.082 -2.626 -0.648 443 1HE LYS 49 HE2 LYS 49 71.746 -3.333 -2.716 444 2HE LYS 49 HE1 LYS 49 70.023 -3.232 -3.075 445 1HZ LYS 49 HZ1 LYS 49 70.368 -0.959 -3.849 446 2HZ LYS 49 HZ3 LYS 49 72.031 -1.094 -3.541 447 3HZ LYS 49 HZ2 LYS 49 71.309 -2.063 -4.734 448 H ASP 50 HN ASP 50 67.885 0.415 2.763 449 HA ASP 50 HA ASP 50 67.166 -1.674 4.665 450 1HB ASP 50 HB2 ASP 50 68.751 0.486 4.893 451 2HB ASP 50 HB1 ASP 50 67.252 1.180 5.513 452 H VAL 51 HN VAL 51 65.586 1.311 3.426 453 HA VAL 51 HA VAL 51 63.226 0.791 5.083 454 HB VAL 51 HB VAL 51 63.896 3.107 4.488 455 1HG1 VAL 51 HG11 VAL 51 63.909 1.965 1.819 456 2HG1 VAL 51 HG13 VAL 51 62.907 3.414 1.883 457 3HG1 VAL 51 HG12 VAL 51 64.597 3.483 2.379 458 1HG2 VAL 51 HG23 VAL 51 61.478 2.332 4.917 459 2HG2 VAL 51 HG22 VAL 51 61.687 3.895 4.125 460 3HG2 VAL 51 HG21 VAL 51 61.249 2.476 3.174 461 H VAL 52 HN VAL 52 64.401 -0.097 1.932 462 HA VAL 52 HA VAL 52 61.790 -0.774 0.843 463 HB VAL 52 HB VAL 52 64.144 -0.260 -0.337 464 1HG1 VAL 52 HG12 VAL 52 65.211 -2.348 0.559 465 2HG1 VAL 52 HG11 VAL 52 64.071 -3.280 -0.413 466 3HG1 VAL 52 HG13 VAL 52 65.241 -2.220 -1.200 467 1HG2 VAL 52 HG21 VAL 52 61.748 -0.698 -1.243 468 2HG2 VAL 52 HG23 VAL 52 63.123 -0.870 -2.330 469 3HG2 VAL 52 HG22 VAL 52 62.373 -2.302 -1.631 470 NH1 ARG 53 NH1 ARG 53 65.565 -6.223 8.001 471 NH2 ARG 53 NH2 ARG 53 65.884 -8.403 7.493 472 H ARG 53 HN ARG 53 64.302 -2.444 2.657 473 HA ARG 53 HA ARG 53 63.101 -5.082 2.275 474 1HB ARG 53 HB2 ARG 53 65.580 -4.492 2.795 475 2HB ARG 53 HB1 ARG 53 65.038 -4.383 4.470 476 1HG ARG 53 HG2 ARG 53 64.162 -6.781 2.941 477 2HG ARG 53 HG1 ARG 53 65.871 -6.697 3.371 478 1HD ARG 53 HD2 ARG 53 63.894 -6.021 5.499 479 2HD ARG 53 HD1 ARG 53 64.047 -7.719 5.044 480 HE ARG 53 HE ARG 53 66.666 -6.699 5.415 481 1HH1 ARG 53 HH11 ARG 53 65.461 -5.272 7.708 482 2HH1 ARG 53 HH12 ARG 53 65.526 -6.454 8.973 483 1HH2 ARG 53 HH21 ARG 53 66.024 -9.122 6.812 484 2HH2 ARG 53 HH22 ARG 53 65.847 -8.635 8.465 485 H VAL 54 HN VAL 54 63.135 -2.638 4.876 486 HA VAL 54 HA VAL 54 61.654 -4.216 6.774 487 HB VAL 54 HB VAL 54 61.727 -1.191 6.503 488 1HG1 VAL 54 HG11 VAL 54 60.699 -3.112 8.528 489 2HG1 VAL 54 HG13 VAL 54 61.563 -1.707 9.150 490 3HG1 VAL 54 HG12 VAL 54 60.139 -1.487 8.133 491 1HG2 VAL 54 HG22 VAL 54 63.952 -2.615 6.701 492 2HG2 VAL 54 HG21 VAL 54 63.732 -1.170 7.689 493 3HG2 VAL 54 HG23 VAL 54 63.455 -2.766 8.386 494 CH2 TRP 55 CH2 TRP 55 55.726 -3.089 -1.126 495 H TRP 55 HN TRP 55 60.687 -1.886 4.280 496 HA TRP 55 HA TRP 55 57.870 -1.944 4.860 497 1HB TRP 55 HB2 TRP 55 58.765 -0.135 3.526 498 2HB TRP 55 HB1 TRP 55 59.463 -1.256 2.365 499 HD1 TRP 55 HD1 TRP 55 56.279 0.598 3.195 500 HE1 TRP 55 HE1 TRP 55 54.532 0.114 1.396 501 HE3 TRP 55 HE3 TRP 55 58.582 -3.222 0.690 502 HZ2 TRP 55 HZ2 TRP 55 54.111 -1.713 -0.786 503 HZ3 TRP 55 HZ3 TRP 55 57.487 -4.317 -1.230 504 HH2 TRP 55 HH2 TRP 55 55.249 -3.572 -1.963 505 H PHE 56 HN PHE 56 59.910 -3.858 2.622 506 HA PHE 56 HA PHE 56 57.571 -5.451 1.870 507 1HB PHE 56 HB2 PHE 56 59.583 -4.955 0.332 508 2HB PHE 56 HB1 PHE 56 60.410 -6.226 1.237 509 HD1 PHE 56 HD2 PHE 56 56.855 -5.829 0.059 510 HD2 PHE 56 HD1 PHE 56 60.424 -8.218 -0.007 511 HE1 PHE 56 HE2 PHE 56 55.672 -7.552 -1.247 512 HE2 PHE 56 HE1 PHE 56 59.228 -9.952 -1.314 513 HZ PHE 56 HZ PHE 56 56.847 -9.611 -1.929 514 H CYS 57 HN CYS 57 59.475 -5.402 4.601 515 HA CYS 57 HA CYS 57 59.789 -8.260 5.006 516 1HB CYS 57 HB2 CYS 57 61.128 -6.462 6.211 517 2HB CYS 57 HB1 CYS 57 59.668 -6.096 7.130 518 HG CYS 57 HG CYS 57 61.138 -8.857 7.260 519 H ASN 58 HN ASN 58 57.463 -5.774 6.000 520 HA ASN 58 HA ASN 58 55.736 -7.664 7.390 521 1HB ASN 58 HB2 ASN 58 55.598 -4.782 6.603 522 2HB ASN 58 HB1 ASN 58 54.073 -5.614 6.907 523 1HD2 ASN 58 HD22 ASN 58 54.585 -5.845 10.408 524 2HD2 ASN 58 HD21 ASN 58 53.623 -6.321 9.093 525 NH1 ARG 59 NH1 ARG 59 52.589 -3.819 4.794 526 NH2 ARG 59 NH2 ARG 59 54.437 -2.537 4.612 527 H ARG 59 HN ARG 59 55.858 -6.151 4.176 528 HA ARG 59 HA ARG 59 53.390 -7.196 3.159 529 1HB ARG 59 HB2 ARG 59 55.683 -5.815 2.120 530 2HB ARG 59 HB1 ARG 59 55.340 -7.171 1.054 531 1HG ARG 59 HG2 ARG 59 54.160 -5.085 0.394 532 2HG ARG 59 HG1 ARG 59 53.066 -6.421 0.734 533 1HD ARG 59 HD2 ARG 59 52.402 -4.150 1.715 534 2HD ARG 59 HD1 ARG 59 52.440 -5.497 2.847 535 HE ARG 59 HE ARG 59 54.977 -4.103 2.769 536 1HH1 ARG 59 HH11 ARG 59 52.004 -4.554 4.458 537 2HH1 ARG 59 HH12 ARG 59 52.339 -3.327 5.627 538 1HH2 ARG 59 HH21 ARG 59 55.278 -2.285 4.132 539 2HH2 ARG 59 HH22 ARG 59 54.174 -2.053 5.447 540 NH1 ARG 60 NH2 ARG 60 61.665 -13.639 0.606 541 NH2 ARG 60 NH1 ARG 60 62.599 -12.416 2.262 542 H ARG 60 HN ARG 60 56.512 -8.705 3.677 543 HA ARG 60 HA ARG 60 55.891 -11.024 2.002 544 1HB ARG 60 HB2 ARG 60 58.188 -10.002 3.496 545 2HB ARG 60 HB1 ARG 60 57.990 -11.742 3.698 546 1HG ARG 60 HG2 ARG 60 57.993 -12.083 1.298 547 2HG ARG 60 HG1 ARG 60 57.992 -10.343 1.009 548 1HD ARG 60 HD2 ARG 60 60.254 -10.782 0.791 549 2HD ARG 60 HD1 ARG 60 60.175 -10.434 2.517 550 HE ARG 60 HE ARG 60 59.789 -13.111 2.536 551 1HH1 ARG 60 HH21 ARG 60 60.852 -13.968 0.125 552 2HH1 ARG 60 HH22 ARG 60 62.574 -13.916 0.298 553 1HH2 ARG 60 HH11 ARG 60 62.501 -11.808 3.050 554 2HH2 ARG 60 HH12 ARG 60 63.508 -12.694 1.955 555 H GLN 61 HN GLN 61 56.088 -10.397 5.521 556 HA GLN 61 HA GLN 61 54.799 -13.040 5.983 557 1HB GLN 61 HB2 GLN 61 55.419 -12.670 8.367 558 2HB GLN 61 HB1 GLN 61 56.819 -12.638 7.295 559 1HG GLN 61 HG2 GLN 61 57.190 -10.404 7.620 560 2HG GLN 61 HG1 GLN 61 55.472 -10.032 7.772 561 1HE2 GLN 61 HE22 GLN 61 57.612 -11.100 11.102 562 2HE2 GLN 61 HE21 GLN 61 58.263 -11.373 9.559 563 H LYS 62 HN LYS 62 53.002 -11.419 4.884 564 HA LYS 62 HA LYS 62 51.547 -9.835 6.864 565 1HB LYS 62 HB2 LYS 62 50.900 -10.786 4.061 566 2HB LYS 62 HB1 LYS 62 49.765 -9.848 5.032 567 1HG LYS 62 HG2 LYS 62 51.748 -8.190 5.339 568 2HG LYS 62 HG1 LYS 62 52.449 -9.015 3.948 569 1HD LYS 62 HD2 LYS 62 51.225 -7.593 2.679 570 2HD LYS 62 HD1 LYS 62 49.834 -8.574 3.136 571 1HE LYS 62 HE2 LYS 62 50.833 -6.193 4.726 572 2HE LYS 62 HE1 LYS 62 49.504 -6.126 3.568 573 1HZ LYS 62 HZ1 LYS 62 49.612 -7.863 5.976 574 2HZ LYS 62 HZ3 LYS 62 48.702 -6.439 5.826 575 3HZ LYS 62 HZ2 LYS 62 48.331 -7.788 4.863 576 H GLY 63 HN GLY 63 51.614 -13.163 5.809 577 1HA GLY 63 HA2 GLY 63 49.622 -13.841 7.871 578 2HA GLY 63 HA1 GLY 63 49.222 -14.316 6.220 579 H LYS 64 HN LYS 64 51.985 -14.513 8.491 580 HA LYS 64 HA LYS 64 52.947 -16.961 7.185 581 1HB LYS 64 HB2 LYS 64 54.218 -14.960 8.541 582 2HB LYS 64 HB1 LYS 64 54.093 -16.189 9.800 583 1HG LYS 64 HG2 LYS 64 55.170 -17.836 8.353 584 2HG LYS 64 HG1 LYS 64 55.212 -16.677 7.023 585 1HD LYS 64 HD2 LYS 64 57.329 -16.311 7.837 586 2HD LYS 64 HD1 LYS 64 56.456 -15.204 8.898 587 1HE LYS 64 HE2 LYS 64 56.247 -17.042 10.577 588 2HE LYS 64 HE1 LYS 64 57.237 -18.064 9.534 589 1HZ LYS 64 HZ3 LYS 64 58.211 -15.403 10.324 590 2HZ LYS 64 HZ2 LYS 64 58.342 -16.700 11.413 591 3HZ LYS 64 HZ1 LYS 64 59.095 -16.785 9.892 592 NH1 ARG 65 NH2 ARG 65 53.297 -21.058 16.777 593 NH2 ARG 65 NH1 ARG 65 54.274 -22.535 15.372 594 H ARG 65 HN ARG 65 52.260 -16.254 10.610 595 HA ARG 65 HA ARG 65 51.421 -19.082 10.929 596 1HB ARG 65 HB2 ARG 65 52.704 -17.096 12.630 597 2HB ARG 65 HB1 ARG 65 51.303 -17.799 13.436 598 1HG ARG 65 HG2 ARG 65 52.340 -20.067 12.504 599 2HG ARG 65 HG1 ARG 65 53.828 -19.120 12.527 600 1HD ARG 65 HD2 ARG 65 53.151 -18.468 14.935 601 2HD ARG 65 HD1 ARG 65 52.016 -19.813 14.838 602 HE ARG 65 HE ARG 65 54.912 -20.283 14.300 603 1HH1 ARG 65 HH21 ARG 65 52.991 -20.128 16.980 604 2HH1 ARG 65 HH22 ARG 65 53.160 -21.787 17.448 605 1HH2 ARG 65 HH11 ARG 65 54.716 -22.737 14.499 606 2HH2 ARG 65 HH12 ARG 65 54.137 -23.264 16.044 607 H SER 66 HN SER 66 49.710 -17.109 9.565 608 HA SER 66 HA SER 66 47.272 -17.560 11.152 609 1HB SER 66 HB2 SER 66 47.754 -14.760 10.161 610 2HB SER 66 HB1 SER 66 46.631 -15.319 11.398 611 HG SER 66 HG SER 66 48.673 -14.240 12.084 612 H SER 67 HN SER 67 45.403 -16.324 9.722 613 HA SER 67 HA SER 67 45.957 -16.559 6.835 614 1HB SER 67 HB2 SER 67 45.383 -18.883 7.718 615 2HB SER 67 HB1 SER 67 43.778 -18.252 8.077 616 HG SER 67 HG SER 67 44.727 -19.128 5.764 Start of MODEL 9 Raw file had 616 H/Q atoms Start of MODEL 9 1 1H MET 1 HT2 MET 1 52.984 11.248 26.507 2 2H MET 1 HT1 MET 1 51.566 11.156 27.436 3 3H MET 1 HT3 MET 1 52.507 12.565 27.467 4 HA MET 1 HA MET 1 54.283 11.467 28.583 5 1HB MET 1 HB2 MET 1 51.691 11.848 29.649 6 2HB MET 1 HB1 MET 1 52.238 10.296 30.281 7 1HG MET 1 HG2 MET 1 54.452 11.524 30.826 8 2HG MET 1 HG1 MET 1 53.526 13.006 30.592 9 1HE MET 1 HE2 MET 1 55.074 11.242 32.936 10 2HE MET 1 HE1 MET 1 54.706 12.893 33.430 11 3HE MET 1 HE3 MET 1 54.195 11.530 34.437 12 H GLU 2 HN GLU 2 55.085 9.447 29.571 13 HA GLU 2 HA GLU 2 55.626 7.171 29.454 14 1HB GLU 2 HB2 GLU 2 52.928 7.272 29.932 15 2HB GLU 2 HB1 GLU 2 52.976 6.331 28.441 16 1HG GLU 2 HG2 GLU 2 55.007 5.158 29.819 17 2HG GLU 2 HG1 GLU 2 53.951 5.630 31.152 18 H THR 3 HN THR 3 56.131 8.790 27.156 19 HA THR 3 HA THR 3 55.456 7.022 24.860 20 HB THR 3 HB THR 3 56.753 9.026 23.680 21 HG1 THR 3 HG1 THR 3 56.746 10.846 24.835 22 1HG2 THR 3 HG22 THR 3 53.938 9.092 24.784 23 2HG2 THR 3 HG21 THR 3 54.538 10.257 23.603 24 3HG2 THR 3 HG23 THR 3 54.453 8.545 23.188 25 H LEU 4 HN LEU 4 56.935 5.448 24.453 26 HA LEU 4 HA LEU 4 59.820 6.147 24.605 27 1HB LEU 4 HB2 LEU 4 58.385 4.110 26.215 28 2HB LEU 4 HB1 LEU 4 59.910 3.586 25.498 29 HG LEU 4 HG LEU 4 59.794 6.240 26.891 30 1HD1 LEU 4 HD12 LEU 4 58.770 4.344 28.335 31 2HD1 LEU 4 HD11 LEU 4 60.408 3.690 28.381 32 3HD1 LEU 4 HD13 LEU 4 60.081 5.295 29.035 33 1HD2 LEU 4 HD23 LEU 4 61.819 4.194 26.085 34 2HD2 LEU 4 HD22 LEU 4 61.896 5.953 25.974 35 3HD2 LEU 4 HD21 LEU 4 62.155 5.155 27.525 36 H VAL 5 HN VAL 5 57.700 3.367 23.867 37 HA VAL 5 HA VAL 5 59.080 3.170 21.218 38 HB VAL 5 HB VAL 5 58.042 0.781 22.764 39 1HG1 VAL 5 HG11 VAL 5 59.537 1.278 20.231 40 2HG1 VAL 5 HG13 VAL 5 59.986 -0.147 21.167 41 3HG1 VAL 5 HG12 VAL 5 58.328 0.049 20.598 42 1HG2 VAL 5 HG22 VAL 5 60.809 2.024 22.752 43 2HG2 VAL 5 HG21 VAL 5 59.790 1.691 24.152 44 3HG2 VAL 5 HG23 VAL 5 60.505 0.358 23.245 45 H GLN 6 HN GLN 6 56.714 4.628 21.632 46 HA GLN 6 HA GLN 6 54.539 2.846 20.655 47 1HB GLN 6 HB2 GLN 6 54.626 5.561 21.933 48 2HB GLN 6 HB1 GLN 6 53.231 5.111 20.952 49 1HG GLN 6 HG2 GLN 6 54.238 3.208 23.047 50 2HG GLN 6 HG1 GLN 6 53.230 4.574 23.527 51 1HE2 GLN 6 HE22 GLN 6 51.554 1.416 21.593 52 2HE2 GLN 6 HE21 GLN 6 53.222 1.465 21.905 53 H ALA 7 HN ALA 7 56.580 5.544 19.700 54 HA ALA 7 HA ALA 7 55.173 6.400 17.387 55 1HB ALA 7 HB1 ALA 7 57.090 7.635 18.338 56 2HB ALA 7 HB3 ALA 7 58.169 6.325 17.856 57 3HB ALA 7 HB2 ALA 7 57.346 7.287 16.628 58 NH1 ARG 8 NH1 ARG 8 57.302 -1.513 13.382 59 NH2 ARG 8 NH2 ARG 8 56.117 -3.254 14.203 60 H ARG 8 HN ARG 8 54.762 5.321 15.530 61 HA ARG 8 HA ARG 8 56.710 3.400 14.475 62 1HB ARG 8 HB2 ARG 8 54.388 2.563 15.938 63 2HB ARG 8 HB1 ARG 8 54.171 2.103 14.250 64 1HG ARG 8 HG2 ARG 8 56.686 1.295 14.490 65 2HG ARG 8 HG1 ARG 8 56.266 1.224 16.202 66 1HD ARG 8 HD2 ARG 8 54.284 -0.177 15.620 67 2HD ARG 8 HD1 ARG 8 54.814 -0.175 13.937 68 HE ARG 8 HE ARG 8 56.345 -1.434 16.175 69 1HH1 ARG 8 HH11 ARG 8 57.591 -0.557 13.441 70 2HH1 ARG 8 HH12 ARG 8 57.633 -2.090 12.635 71 1HH2 ARG 8 HH21 ARG 8 55.498 -3.632 14.892 72 2HH2 ARG 8 HH22 ARG 8 56.447 -3.831 13.457 73 H LYS 9 HN LYS 9 53.305 4.406 13.954 74 HA LYS 9 HA LYS 9 54.083 5.317 11.256 75 1HB LYS 9 HB2 LYS 9 52.016 4.209 10.323 76 2HB LYS 9 HB1 LYS 9 53.271 3.083 10.842 77 1HG LYS 9 HG2 LYS 9 52.095 2.809 13.015 78 2HG LYS 9 HG1 LYS 9 50.815 3.876 12.437 79 1HD LYS 9 HD2 LYS 9 50.782 2.188 10.393 80 2HD LYS 9 HD1 LYS 9 51.492 1.089 11.575 81 1HE LYS 9 HE2 LYS 9 49.604 1.644 13.135 82 2HE LYS 9 HE1 LYS 9 48.864 2.576 11.833 83 1HZ LYS 9 HZ2 LYS 9 49.674 -0.211 11.359 84 2HZ LYS 9 HZ1 LYS 9 48.214 0.112 12.165 85 3HZ LYS 9 HZ3 LYS 9 48.462 0.701 10.593 86 NH1 ARG 10 NH2 ARG 10 49.837 11.020 18.869 87 NH2 ARG 10 NH1 ARG 10 48.912 9.045 19.463 88 H ARG 10 HN ARG 10 53.672 7.097 13.218 89 HA ARG 10 HA ARG 10 50.887 8.055 12.852 90 1HB ARG 10 HB2 ARG 10 52.172 7.597 15.213 91 2HB ARG 10 HB1 ARG 10 52.552 9.300 14.956 92 1HG ARG 10 HG2 ARG 10 49.969 9.449 14.375 93 2HG ARG 10 HG1 ARG 10 49.890 7.993 15.369 94 1HD ARG 10 HD2 ARG 10 51.446 9.495 16.963 95 2HD ARG 10 HD1 ARG 10 50.563 10.787 16.151 96 HE ARG 10 HE ARG 10 48.574 9.023 16.918 97 1HH1 ARG 10 HH21 ARG 10 50.187 11.635 18.162 98 2HH1 ARG 10 HH22 ARG 10 49.844 11.305 19.827 99 1HH2 ARG 10 HH11 ARG 10 48.554 8.146 19.211 100 2HH2 ARG 10 HH12 ARG 10 48.920 9.329 20.421 101 H LYS 11 HN LYS 11 53.278 8.438 11.055 102 HA LYS 11 HA LYS 11 52.925 11.290 10.620 103 1HB LYS 11 HB2 LYS 11 54.914 10.727 12.368 104 2HB LYS 11 HB1 LYS 11 55.797 10.564 10.851 105 1HG LYS 11 HG2 LYS 11 56.050 12.829 11.117 106 2HG LYS 11 HG1 LYS 11 54.471 12.853 10.332 107 1HD LYS 11 HD2 LYS 11 53.367 12.875 12.536 108 2HD LYS 11 HD1 LYS 11 54.944 12.847 13.327 109 1HE LYS 11 HE2 LYS 11 54.435 14.983 11.298 110 2HE LYS 11 HE1 LYS 11 53.669 15.145 12.879 111 1HZ LYS 11 HZ2 LYS 11 56.534 14.487 12.677 112 2HZ LYS 11 HZ1 LYS 11 56.018 16.099 12.526 113 3HZ LYS 11 HZ3 LYS 11 55.693 15.237 13.950 114 NH1 ARG 12 NH1 ARG 12 55.420 17.144 6.773 115 NH2 ARG 12 NH2 ARG 12 54.482 16.936 4.728 116 H ARG 12 HN ARG 12 54.117 11.961 8.589 117 HA ARG 12 HA ARG 12 53.975 9.773 6.631 118 1HB ARG 12 HB2 ARG 12 54.366 11.598 4.971 119 2HB ARG 12 HB1 ARG 12 52.983 11.906 6.022 120 1HG ARG 12 HG2 ARG 12 54.095 13.564 7.227 121 2HG ARG 12 HG1 ARG 12 55.691 12.933 6.815 122 1HD ARG 12 HD2 ARG 12 55.168 13.573 4.396 123 2HD ARG 12 HD1 ARG 12 53.790 14.469 5.033 124 HE ARG 12 HE ARG 12 56.630 15.069 5.756 125 1HH1 ARG 12 HH11 ARG 12 55.964 16.759 7.519 126 2HH1 ARG 12 HH12 ARG 12 55.052 18.070 6.848 127 1HH2 ARG 12 HH21 ARG 12 54.306 16.393 3.907 128 2HH2 ARG 12 HH22 ARG 12 54.112 17.863 4.803 129 H THR 13 HN THR 13 56.437 11.095 8.574 130 HA THR 13 HA THR 13 58.605 10.820 6.637 131 HB THR 13 HB THR 13 59.016 10.843 9.614 132 HG1 THR 13 HG1 THR 13 58.336 12.836 9.762 133 1HG2 THR 13 HG21 THR 13 60.458 11.790 7.152 134 2HG2 THR 13 HG23 THR 13 60.824 12.503 8.724 135 3HG2 THR 13 HG22 THR 13 61.053 10.774 8.464 136 H SER 14 HN SER 14 56.886 8.688 8.769 137 HA SER 14 HA SER 14 59.064 6.670 8.682 138 1HB SER 14 HB2 SER 14 57.806 5.475 10.343 139 2HB SER 14 HB1 SER 14 57.768 7.172 10.812 140 HG SER 14 HG SER 14 55.745 5.505 10.002 141 H ILE 15 HN ILE 15 57.762 4.309 8.544 142 HA ILE 15 HA ILE 15 56.845 4.229 5.758 143 HB ILE 15 HB ILE 15 57.272 2.078 7.846 144 1HG1 ILE 15 HG12 ILE 15 59.305 3.190 6.955 145 2HG1 ILE 15 HG11 ILE 15 59.215 1.502 6.460 146 1HG2 ILE 15 HG21 ILE 15 56.063 1.956 5.120 147 2HG2 ILE 15 HG23 ILE 15 57.198 0.678 5.551 148 3HG2 ILE 15 HG22 ILE 15 55.756 0.943 6.530 149 1HD1 ILE 15 HD13 ILE 15 57.838 3.027 4.480 150 2HD1 ILE 15 HD12 ILE 15 59.372 3.839 4.793 151 3HD1 ILE 15 HD11 ILE 15 59.356 2.145 4.308 152 H GLU 16 HN GLU 16 54.869 5.509 6.120 153 HA GLU 16 HA GLU 16 52.777 4.336 7.761 154 1HB GLU 16 HB2 GLU 16 51.322 6.094 6.668 155 2HB GLU 16 HB1 GLU 16 52.706 6.731 7.550 156 1HG GLU 16 HG2 GLU 16 53.917 7.161 5.552 157 2HG GLU 16 HG1 GLU 16 52.832 6.162 4.596 158 H ASN 17 HN ASN 17 50.587 3.911 6.569 159 HA ASN 17 HA ASN 17 51.073 1.772 4.703 160 1HB ASN 17 HB2 ASN 17 48.758 2.915 6.106 161 2HB ASN 17 HB1 ASN 17 48.363 2.351 4.482 162 1HD2 ASN 17 HD22 ASN 17 49.445 -1.071 5.285 163 2HD2 ASN 17 HD21 ASN 17 49.680 0.075 4.055 164 NH1 ARG 18 NH2 ARG 18 44.977 7.140 1.909 165 NH2 ARG 18 NH1 ARG 18 44.924 9.237 2.749 166 H ARG 18 HN ARG 18 50.369 5.169 4.388 167 HA ARG 18 HA ARG 18 49.653 4.978 1.555 168 1HB ARG 18 HB2 ARG 18 49.291 6.880 3.572 169 2HB ARG 18 HB1 ARG 18 50.488 7.621 2.513 170 1HG ARG 18 HG2 ARG 18 49.038 7.364 0.591 171 2HG ARG 18 HG1 ARG 18 47.879 6.426 1.535 172 1HD ARG 18 HD2 ARG 18 47.775 8.510 3.078 173 2HD ARG 18 HD1 ARG 18 48.520 9.366 1.729 174 HE ARG 18 HE ARG 18 46.525 8.916 0.405 175 1HH1 ARG 18 HH21 ARG 18 45.416 6.448 1.336 176 2HH1 ARG 18 HH22 ARG 18 44.142 6.917 2.412 177 1HH2 ARG 18 HH11 ARG 18 45.321 10.152 2.818 178 2HH2 ARG 18 HH12 ARG 18 44.089 9.015 3.252 179 H VAL 19 HN VAL 19 52.588 4.836 3.264 180 HA VAL 19 HA VAL 19 54.110 6.161 1.121 181 HB VAL 19 HB VAL 19 54.630 6.083 3.801 182 1HG1 VAL 19 HG12 VAL 19 56.174 3.757 2.613 183 2HG1 VAL 19 HG11 VAL 19 56.778 4.684 3.967 184 3HG1 VAL 19 HG13 VAL 19 55.257 3.811 4.119 185 1HG2 VAL 19 HG23 VAL 19 56.545 6.229 1.463 186 2HG2 VAL 19 HG22 VAL 19 55.697 7.568 2.238 187 3HG2 VAL 19 HG21 VAL 19 56.977 6.714 3.103 188 NH1 ARG 20 NH1 ARG 20 56.529 -1.912 5.773 189 NH2 ARG 20 NH2 ARG 20 54.475 -2.498 6.514 190 H ARG 20 HN ARG 20 53.688 2.957 2.561 191 HA ARG 20 HA ARG 20 55.421 1.605 0.732 192 1HB ARG 20 HB2 ARG 20 53.335 0.818 2.680 193 2HB ARG 20 HB1 ARG 20 53.616 -0.329 1.369 194 1HG ARG 20 HG2 ARG 20 56.106 -0.115 1.899 195 2HG ARG 20 HG1 ARG 20 55.622 0.720 3.376 196 1HD ARG 20 HD2 ARG 20 54.248 -1.855 2.802 197 2HD ARG 20 HD1 ARG 20 55.948 -1.955 3.262 198 HE ARG 20 HE ARG 20 54.030 -0.430 4.965 199 1HH1 ARG 20 HH11 ARG 20 57.106 -1.410 5.130 200 2HH1 ARG 20 HH12 ARG 20 56.947 -2.466 6.494 201 1HH2 ARG 20 HH21 ARG 20 53.479 -2.445 6.438 202 2HH2 ARG 20 HH22 ARG 20 54.892 -3.052 7.235 203 CH2 TRP 21 CH2 TRP 21 52.133 -3.366 -0.220 204 H TRP 21 HN TRP 21 51.928 2.294 0.609 205 HA TRP 21 HA TRP 21 51.833 1.039 -2.029 206 1HB TRP 21 HB2 TRP 21 49.618 2.435 -0.531 207 2HB TRP 21 HB1 TRP 21 49.432 1.444 -1.988 208 HD1 TRP 21 HD1 TRP 21 48.556 0.843 1.278 209 HE1 TRP 21 HE1 TRP 21 49.190 -1.483 2.203 210 HE3 TRP 21 HE3 TRP 21 52.019 -0.633 -2.205 211 HZ2 TRP 21 HZ2 TRP 21 50.976 -3.660 1.563 212 HZ3 TRP 21 HZ3 TRP 21 53.174 -2.776 -2.008 213 HH2 TRP 21 HH2 TRP 21 52.633 -4.319 -0.150 214 H SER 22 HN SER 22 53.053 3.839 -1.061 215 HA SER 22 HA SER 22 52.224 5.426 -3.383 216 1HB SER 22 HB2 SER 22 53.838 5.885 -0.929 217 2HB SER 22 HB1 SER 22 54.461 6.664 -2.380 218 HG SER 22 HG SER 22 53.016 8.106 -1.743 219 H LEU 23 HN LEU 23 54.851 3.457 -2.060 220 HA LEU 23 HA LEU 23 56.808 3.610 -4.122 221 1HB LEU 23 HB2 LEU 23 55.904 1.158 -2.576 222 2HB LEU 23 HB1 LEU 23 57.397 1.278 -3.472 223 HG LEU 23 HG LEU 23 56.845 3.222 -1.261 224 1HD1 LEU 23 HD13 LEU 23 56.440 0.663 -0.701 225 2HD1 LEU 23 HD12 LEU 23 58.199 0.571 -0.771 226 3HD1 LEU 23 HD11 LEU 23 57.418 1.644 0.390 227 1HD2 LEU 23 HD23 LEU 23 58.893 3.038 -3.002 228 2HD2 LEU 23 HD22 LEU 23 59.150 3.526 -1.327 229 3HD2 LEU 23 HD21 LEU 23 59.457 1.861 -1.816 230 H GLU 24 HN GLU 24 54.063 1.421 -3.667 231 HA GLU 24 HA GLU 24 54.336 -0.097 -6.034 232 1HB GLU 24 HB2 GLU 24 52.727 -0.391 -4.014 233 2HB GLU 24 HB1 GLU 24 51.629 0.627 -4.944 234 1HG GLU 24 HG2 GLU 24 52.073 -0.989 -6.902 235 2HG GLU 24 HG1 GLU 24 52.760 -2.071 -5.690 236 H THR 25 HN THR 25 52.667 2.998 -5.530 237 HA THR 25 HA THR 25 51.451 3.146 -8.118 238 HB THR 25 HB THR 25 52.463 5.477 -6.466 239 HG1 THR 25 HG1 THR 25 50.001 4.076 -6.326 240 1HG2 THR 25 HG22 THR 25 51.423 5.542 -8.946 241 2HG2 THR 25 HG21 THR 25 49.926 5.524 -8.015 242 3HG2 THR 25 HG23 THR 25 51.111 6.805 -7.756 243 H MET 26 HN MET 26 54.674 3.884 -6.928 244 HA MET 26 HA MET 26 55.504 5.096 -9.481 245 1HB MET 26 HB2 MET 26 56.789 4.613 -6.817 246 2HB MET 26 HB1 MET 26 57.818 4.905 -8.220 247 1HG MET 26 HG2 MET 26 56.876 7.046 -8.606 248 2HG MET 26 HG1 MET 26 55.494 6.716 -7.561 249 1HE MET 26 HE2 MET 26 59.033 7.425 -8.085 250 2HE MET 26 HE1 MET 26 58.462 9.008 -7.565 251 3HE MET 26 HE3 MET 26 59.660 8.134 -6.600 252 H PHE 27 HN PHE 27 55.425 1.898 -8.128 253 HA PHE 27 HA PHE 27 57.612 0.941 -9.870 254 1HB PHE 27 HB2 PHE 27 55.908 -0.361 -7.745 255 2HB PHE 27 HB1 PHE 27 56.798 -1.348 -8.902 256 HD1 PHE 27 HD1 PHE 27 59.322 -0.657 -9.279 257 HD2 PHE 27 HD2 PHE 27 57.003 0.338 -5.803 258 HE1 PHE 27 HE1 PHE 27 61.410 -0.330 -7.980 259 HE2 PHE 27 HE2 PHE 27 59.089 0.669 -4.506 260 HZ PHE 27 HZ PHE 27 61.292 0.334 -5.594 261 H LEU 28 HN LEU 28 54.140 1.170 -9.927 262 HA LEU 28 HA LEU 28 53.930 -0.851 -12.064 263 1HB LEU 28 HB2 LEU 28 51.878 0.803 -10.588 264 2HB LEU 28 HB1 LEU 28 51.466 -0.243 -11.949 265 HG LEU 28 HG LEU 28 52.903 -1.161 -9.442 266 1HD1 LEU 28 HD11 LEU 28 50.271 -0.472 -9.572 267 2HD1 LEU 28 HD13 LEU 28 50.190 -2.163 -10.066 268 3HD1 LEU 28 HD12 LEU 28 50.904 -1.731 -8.512 269 1HD2 LEU 28 HD22 LEU 28 52.595 -2.330 -12.050 270 2HD2 LEU 28 HD21 LEU 28 53.376 -3.018 -10.628 271 3HD2 LEU 28 HD23 LEU 28 51.655 -3.280 -10.903 272 H LYS 29 HN LYS 29 55.435 1.610 -12.600 273 HA LYS 29 HA LYS 29 53.674 2.958 -14.581 274 1HB LYS 29 HB2 LYS 29 55.440 4.662 -14.743 275 2HB LYS 29 HB1 LYS 29 54.972 4.440 -13.061 276 1HG LYS 29 HG2 LYS 29 56.968 2.692 -13.067 277 2HG LYS 29 HG1 LYS 29 57.516 3.644 -14.444 278 1HD LYS 29 HD2 LYS 29 56.690 4.971 -11.863 279 2HD LYS 29 HD1 LYS 29 58.320 4.332 -12.074 280 1HE LYS 29 HE2 LYS 29 58.799 5.810 -13.855 281 2HE LYS 29 HE1 LYS 29 57.096 6.181 -14.119 282 1HZ LYS 29 HZ1 LYS 29 58.071 6.808 -11.465 283 2HZ LYS 29 HZ3 LYS 29 58.787 7.714 -12.707 284 3HZ LYS 29 HZ2 LYS 29 57.100 7.724 -12.516 285 H CYS 30 HN CYS 30 56.741 1.251 -14.249 286 HA CYS 30 HA CYS 30 56.504 0.296 -17.012 287 1HB CYS 30 HB2 CYS 30 58.565 2.156 -16.004 288 2HB CYS 30 HB1 CYS 30 59.229 0.725 -16.789 289 HG CYS 30 HG CYS 30 58.057 1.376 -18.980 290 HA PRO 31 HA PRO 31 57.897 -3.292 -14.726 291 1HB PRO 31 HB2 PRO 31 58.326 -4.976 -16.836 292 2HB PRO 31 HB1 PRO 31 56.699 -4.541 -16.280 293 1HG PRO 31 HG2 PRO 31 58.154 -3.639 -18.714 294 2HG PRO 31 HG1 PRO 31 56.410 -3.724 -18.420 295 1HD PRO 31 HD2 PRO 31 58.048 -1.384 -18.301 296 2HD PRO 31 HD1 PRO 31 56.347 -1.514 -17.805 297 H LYS 32 HN LYS 32 59.919 -1.229 -16.214 298 HA LYS 32 HA LYS 32 62.236 -3.048 -15.994 299 1HB LYS 32 HB2 LYS 32 63.282 -1.726 -17.847 300 2HB LYS 32 HB1 LYS 32 61.851 -2.628 -18.341 301 1HG LYS 32 HG2 LYS 32 60.518 -0.483 -17.884 302 2HG LYS 32 HG1 LYS 32 62.074 0.342 -17.788 303 1HD LYS 32 HD2 LYS 32 61.234 -1.360 -20.149 304 2HD LYS 32 HD1 LYS 32 60.992 0.385 -20.078 305 1HE LYS 32 HE2 LYS 32 63.725 -0.623 -19.450 306 2HE LYS 32 HE1 LYS 32 63.206 -0.706 -21.134 307 1HZ LYS 32 HZ1 LYS 32 62.780 1.766 -19.599 308 2HZ LYS 32 HZ3 LYS 32 64.316 1.437 -20.240 309 3HZ LYS 32 HZ2 LYS 32 62.974 1.559 -21.275 310 HA PRO 33 HA PRO 33 62.829 0.929 -13.540 311 1HB PRO 33 HB2 PRO 33 62.792 -0.133 -11.001 312 2HB PRO 33 HB1 PRO 33 61.358 0.525 -11.809 313 1HG PRO 33 HG2 PRO 33 62.094 -2.316 -11.310 314 2HG PRO 33 HG1 PRO 33 60.492 -1.590 -11.516 315 1HD PRO 33 HD2 PRO 33 61.909 -3.053 -13.490 316 2HD PRO 33 HD1 PRO 33 60.478 -2.038 -13.768 317 H SER 34 HN SER 34 64.910 1.492 -12.756 318 HA SER 34 HA SER 34 66.977 -0.570 -13.098 319 1HB SER 34 HB2 SER 34 68.514 1.438 -12.810 320 2HB SER 34 HB1 SER 34 67.458 1.467 -14.219 321 HG SER 34 HG SER 34 66.441 3.117 -13.400 322 H LEU 35 HN LEU 35 68.565 -1.049 -11.525 323 HA LEU 35 HA LEU 35 67.662 -1.191 -8.804 324 1HB LEU 35 HB2 LEU 35 70.361 -1.495 -10.130 325 2HB LEU 35 HB1 LEU 35 70.192 -1.589 -8.376 326 HG LEU 35 HG LEU 35 68.199 -3.181 -9.839 327 1HD1 LEU 35 HD13 LEU 35 70.233 -3.411 -11.310 328 2HD1 LEU 35 HD12 LEU 35 71.102 -4.054 -9.916 329 3HD1 LEU 35 HD11 LEU 35 69.716 -4.927 -10.570 330 1HD2 LEU 35 HD21 LEU 35 68.675 -3.209 -7.359 331 2HD2 LEU 35 HD23 LEU 35 68.736 -4.800 -8.117 332 3HD2 LEU 35 HD22 LEU 35 70.232 -3.951 -7.723 333 H GLN 36 HN GLN 36 69.251 1.239 -10.698 334 HA GLN 36 HA GLN 36 70.304 2.830 -8.503 335 1HB GLN 36 HB2 GLN 36 71.086 3.126 -10.843 336 2HB GLN 36 HB1 GLN 36 69.471 3.654 -11.312 337 1HG GLN 36 HG2 GLN 36 69.768 5.438 -9.428 338 2HG GLN 36 HG1 GLN 36 71.484 5.065 -9.572 339 1HE2 GLN 36 HE22 GLN 36 71.085 7.781 -11.973 340 2HE2 GLN 36 HE21 GLN 36 71.264 7.539 -10.303 341 H GLN 37 HN GLN 37 67.301 2.703 -10.362 342 HA GLN 37 HA GLN 37 66.011 4.922 -9.085 343 1HB GLN 37 HB2 GLN 37 65.195 3.860 -11.202 344 2HB GLN 37 HB1 GLN 37 64.707 2.449 -10.264 345 1HG GLN 37 HG2 GLN 37 62.739 3.482 -9.869 346 2HG GLN 37 HG1 GLN 37 63.613 4.652 -8.885 347 1HE2 GLN 37 HE22 GLN 37 63.957 6.859 -11.883 348 2HE2 GLN 37 HE21 GLN 37 65.047 6.080 -10.841 349 H ILE 38 HN ILE 38 66.549 1.565 -8.138 350 HA ILE 38 HA ILE 38 64.557 1.575 -6.036 351 HB ILE 38 HB ILE 38 66.930 -0.216 -6.611 352 1HG1 ILE 38 HG12 ILE 38 64.894 -0.514 -7.962 353 2HG1 ILE 38 HG11 ILE 38 65.127 -1.897 -6.895 354 1HG2 ILE 38 HG22 ILE 38 65.135 -0.205 -4.158 355 2HG2 ILE 38 HG21 ILE 38 65.976 -1.659 -4.695 356 3HG2 ILE 38 HG23 ILE 38 66.898 -0.236 -4.207 357 1HD1 ILE 38 HD13 ILE 38 63.604 -0.367 -5.271 358 2HD1 ILE 38 HD12 ILE 38 63.024 0.219 -6.827 359 3HD1 ILE 38 HD11 ILE 38 62.902 -1.494 -6.430 360 H THR 39 HN THR 39 67.904 2.551 -6.332 361 HA THR 39 HA THR 39 68.407 2.994 -3.521 362 HB THR 39 HB THR 39 69.578 4.481 -5.900 363 HG1 THR 39 HG1 THR 39 71.252 2.911 -5.656 364 1HG2 THR 39 HG21 THR 39 69.863 5.411 -3.522 365 2HG2 THR 39 HG23 THR 39 70.844 3.979 -3.207 366 3HG2 THR 39 HG22 THR 39 71.338 5.129 -4.448 367 H HIS 40 HN HIS 40 67.036 4.896 -6.140 368 HA HIS 40 HA HIS 40 66.614 7.319 -4.590 369 1HB HIS 40 HB2 HIS 40 66.761 7.336 -7.063 370 2HB HIS 40 HB1 HIS 40 65.313 6.336 -7.154 371 HD1 HIS 40 HD1 HIS 40 65.822 9.327 -4.862 372 HD2 HIS 40 HD2 HIS 40 63.513 8.216 -8.149 373 HE1 HIS 40 HE1 HIS 40 64.130 11.180 -5.210 374 H ILE 41 HN ILE 41 64.940 4.286 -4.959 375 HA ILE 41 HA ILE 41 62.344 5.214 -4.105 376 HB ILE 41 HB ILE 41 63.630 2.672 -4.792 377 1HG1 ILE 41 HG12 ILE 41 60.893 2.343 -5.048 378 2HG1 ILE 41 HG11 ILE 41 61.083 4.087 -5.186 379 1HG2 ILE 41 HG23 ILE 41 61.634 2.644 -2.520 380 2HG2 ILE 41 HG22 ILE 41 62.022 1.233 -3.504 381 3HG2 ILE 41 HG21 ILE 41 63.270 1.984 -2.511 382 1HD1 ILE 41 HD13 ILE 41 62.843 2.198 -6.750 383 2HD1 ILE 41 HD12 ILE 41 61.265 2.688 -7.358 384 3HD1 ILE 41 HD11 ILE 41 62.513 3.899 -7.068 385 H ALA 42 HN ALA 42 65.153 3.757 -2.476 386 HA ALA 42 HA ALA 42 64.067 3.662 0.139 387 1HB ALA 42 HB1 ALA 42 66.752 3.504 -1.069 388 2HB ALA 42 HB3 ALA 42 66.731 4.079 0.598 389 3HB ALA 42 HB2 ALA 42 66.030 2.512 0.197 390 H ASN 43 HN ASN 43 66.156 6.141 -1.338 391 HA ASN 43 HA ASN 43 65.921 7.986 0.842 392 1HB ASN 43 HB2 ASN 43 66.680 8.224 -2.059 393 2HB ASN 43 HB1 ASN 43 66.437 9.684 -1.095 394 1HD2 ASN 43 HD22 ASN 43 69.875 7.673 -0.704 395 2HD2 ASN 43 HD21 ASN 43 68.772 7.398 -1.965 396 H GLN 44 HN GLN 44 63.746 7.002 -1.661 397 HA GLN 44 HA GLN 44 62.139 9.398 -1.695 398 1HB GLN 44 HB2 GLN 44 62.089 6.751 -2.953 399 2HB GLN 44 HB1 GLN 44 60.498 7.441 -2.662 400 1HG GLN 44 HG2 GLN 44 62.775 8.817 -4.130 401 2HG GLN 44 HG1 GLN 44 61.382 8.058 -4.899 402 1HE2 GLN 44 HE22 GLN 44 59.098 10.615 -3.614 403 2HE2 GLN 44 HE21 GLN 44 59.173 8.927 -3.776 404 H LEU 45 HN LEU 45 62.110 6.444 0.250 405 HA LEU 45 HA LEU 45 59.832 7.659 1.741 406 1HB LEU 45 HB2 LEU 45 58.702 5.602 2.007 407 2HB LEU 45 HB1 LEU 45 59.181 5.641 0.318 408 HG LEU 45 HG LEU 45 60.877 4.270 2.398 409 1HD1 LEU 45 HD12 LEU 45 58.279 3.535 1.926 410 2HD1 LEU 45 HD11 LEU 45 59.128 2.618 0.681 411 3HD1 LEU 45 HD13 LEU 45 59.557 2.414 2.376 412 1HD2 LEU 45 HD22 LEU 45 60.709 4.488 -0.568 413 2HD2 LEU 45 HD21 LEU 45 62.129 4.405 0.472 414 3HD2 LEU 45 HD23 LEU 45 61.218 2.941 0.105 415 H GLY 46 HN GLY 46 62.887 7.445 2.141 416 1HA GLY 46 HA2 GLY 46 64.359 7.204 3.944 417 2HA GLY 46 HA1 GLY 46 62.964 7.660 4.909 418 H LEU 47 HN LEU 47 62.993 4.628 3.096 419 HA LEU 47 HA LEU 47 63.000 3.217 5.723 420 1HB LEU 47 HB2 LEU 47 61.618 1.597 4.858 421 2HB LEU 47 HB1 LEU 47 61.185 2.885 3.751 422 HG LEU 47 HG LEU 47 63.163 0.658 3.246 423 1HD1 LEU 47 HD11 LEU 47 60.482 0.489 3.080 424 2HD1 LEU 47 HD13 LEU 47 60.823 1.166 1.488 425 3HD1 LEU 47 HD12 LEU 47 61.554 -0.363 1.969 426 1HD2 LEU 47 HD23 LEU 47 62.768 3.240 1.934 427 2HD2 LEU 47 HD22 LEU 47 64.142 2.152 1.867 428 3HD2 LEU 47 HD21 LEU 47 62.744 1.876 0.832 429 H GLU 48 HN GLU 48 63.983 0.853 5.417 430 HA GLU 48 HA GLU 48 66.779 1.280 4.559 431 1HB GLU 48 HB2 GLU 48 65.955 0.133 6.785 432 2HB GLU 48 HB1 GLU 48 65.745 -1.280 5.750 433 1HG GLU 48 HG2 GLU 48 68.125 -0.972 4.976 434 2HG GLU 48 HG1 GLU 48 68.301 0.282 6.203 435 H LYS 49 HN LYS 49 67.736 -0.009 2.940 436 HA LYS 49 HA LYS 49 66.138 -0.788 0.733 437 1HB LYS 49 HB2 LYS 49 68.720 -0.369 0.910 438 2HB LYS 49 HB1 LYS 49 68.790 -2.098 1.249 439 1HG LYS 49 HG2 LYS 49 67.084 -2.006 -0.919 440 2HG LYS 49 HG1 LYS 49 68.218 -0.705 -1.284 441 1HD LYS 49 HD2 LYS 49 69.950 -2.140 -1.631 442 2HD LYS 49 HD1 LYS 49 69.491 -3.173 -0.278 443 1HE LYS 49 HE2 LYS 49 68.188 -4.530 -1.579 444 2HE LYS 49 HE1 LYS 49 67.649 -3.201 -2.605 445 1HZ LYS 49 HZ3 LYS 49 70.102 -3.215 -3.383 446 2HZ LYS 49 HZ2 LYS 49 70.111 -4.802 -2.775 447 3HZ LYS 49 HZ1 LYS 49 69.024 -4.366 -4.006 448 H ASP 50 HN ASP 50 66.840 -2.502 3.670 449 HA ASP 50 HA ASP 50 66.430 -5.168 2.651 450 1HB ASP 50 HB2 ASP 50 67.545 -4.409 4.874 451 2HB ASP 50 HB1 ASP 50 65.898 -4.332 5.498 452 H VAL 51 HN VAL 51 64.249 -2.719 4.109 453 HA VAL 51 HA VAL 51 61.996 -4.608 3.985 454 HB VAL 51 HB VAL 51 62.095 -2.921 5.788 455 1HG1 VAL 51 HG12 VAL 51 62.574 -1.157 3.513 456 2HG1 VAL 51 HG11 VAL 51 61.296 -0.546 4.561 457 3HG1 VAL 51 HG13 VAL 51 62.893 -0.886 5.224 458 1HG2 VAL 51 HG22 VAL 51 59.828 -2.576 3.799 459 2HG2 VAL 51 HG21 VAL 51 59.893 -3.722 5.137 460 3HG2 VAL 51 HG23 VAL 51 59.779 -1.992 5.462 461 H VAL 52 HN VAL 52 63.490 -2.241 1.923 462 HA VAL 52 HA VAL 52 61.144 -1.881 0.228 463 HB VAL 52 HB VAL 52 63.334 -0.344 0.614 464 1HG1 VAL 52 HG11 VAL 52 64.673 -2.200 -0.677 465 2HG1 VAL 52 HG13 VAL 52 63.986 -1.418 -2.102 466 3HG1 VAL 52 HG12 VAL 52 64.996 -0.495 -0.990 467 1HG2 VAL 52 HG23 VAL 52 61.069 -0.176 -0.838 468 2HG2 VAL 52 HG22 VAL 52 62.342 1.041 -0.903 469 3HG2 VAL 52 HG21 VAL 52 62.255 -0.207 -2.144 470 NH1 ARG 53 NH1 ARG 53 66.434 -7.875 1.552 471 NH2 ARG 53 NH2 ARG 53 65.210 -9.766 1.371 472 H ARG 53 HN ARG 53 63.851 -4.081 0.427 473 HA ARG 53 HA ARG 53 63.536 -5.141 -2.276 474 1HB ARG 53 HB2 ARG 53 65.683 -5.197 -0.900 475 2HB ARG 53 HB1 ARG 53 64.923 -6.456 0.074 476 1HG ARG 53 HG2 ARG 53 64.768 -6.881 -2.852 477 2HG ARG 53 HG1 ARG 53 66.394 -6.952 -2.174 478 1HD ARG 53 HD2 ARG 53 64.111 -8.447 -0.890 479 2HD ARG 53 HD1 ARG 53 65.018 -9.146 -2.231 480 HE ARG 53 HE ARG 53 67.016 -9.119 -0.818 481 1HH1 ARG 53 HH11 ARG 53 66.986 -7.157 1.128 482 2HH1 ARG 53 HH12 ARG 53 66.270 -7.863 2.538 483 1HH2 ARG 53 HH21 ARG 53 64.823 -10.498 0.808 484 2HH2 ARG 53 HH22 ARG 53 65.045 -9.755 2.357 485 H VAL 54 HN VAL 54 62.685 -6.198 1.021 486 HA VAL 54 HA VAL 54 61.334 -8.608 0.129 487 HB VAL 54 HB VAL 54 61.015 -7.085 2.736 488 1HG1 VAL 54 HG12 VAL 54 59.287 -8.838 2.173 489 2HG1 VAL 54 HG11 VAL 54 60.591 -10.024 2.127 490 3HG1 VAL 54 HG13 VAL 54 60.217 -9.182 3.631 491 1HG2 VAL 54 HG23 VAL 54 63.386 -7.724 2.138 492 2HG2 VAL 54 HG22 VAL 54 62.783 -8.490 3.607 493 3HG2 VAL 54 HG21 VAL 54 62.861 -9.406 2.103 494 CH2 TRP 55 CH2 TRP 55 55.860 -1.029 -3.493 495 H TRP 55 HN TRP 55 60.404 -5.258 0.535 496 HA TRP 55 HA TRP 55 57.535 -5.793 0.477 497 1HB TRP 55 HB2 TRP 55 58.291 -3.782 1.610 498 2HB TRP 55 HB1 TRP 55 59.159 -3.242 0.177 499 HD1 TRP 55 HD1 TRP 55 55.699 -3.278 1.751 500 HE1 TRP 55 HE1 TRP 55 54.105 -1.948 0.267 501 HE3 TRP 55 HE3 TRP 55 58.645 -2.595 -2.373 502 HZ2 TRP 55 HZ2 TRP 55 54.031 -0.809 -2.378 503 HZ3 TRP 55 HZ3 TRP 55 57.798 -1.392 -4.352 504 HH2 TRP 55 HH2 TRP 55 55.493 -0.509 -4.361 505 H PHE 56 HN PHE 56 60.031 -4.937 -1.920 506 HA PHE 56 HA PHE 56 57.968 -4.775 -4.016 507 1HB PHE 56 HB2 PHE 56 60.137 -3.348 -3.954 508 2HB PHE 56 HB1 PHE 56 60.927 -4.797 -4.581 509 HD1 PHE 56 HD1 PHE 56 57.581 -3.212 -5.200 510 HD2 PHE 56 HD2 PHE 56 61.254 -4.623 -6.908 511 HE1 PHE 56 HE1 PHE 56 56.712 -2.711 -7.452 512 HE2 PHE 56 HE2 PHE 56 60.379 -4.123 -9.176 513 HZ PHE 56 HZ PHE 56 58.097 -3.170 -9.439 514 H CYS 57 HN CYS 57 59.810 -7.248 -2.548 515 HA CYS 57 HA CYS 57 60.177 -8.962 -4.839 516 1HB CYS 57 HB2 CYS 57 61.271 -9.219 -2.534 517 2HB CYS 57 HB1 CYS 57 59.726 -9.863 -1.979 518 HG CYS 57 HG CYS 57 61.133 -11.229 -4.404 519 H ASN 58 HN ASN 58 57.606 -8.477 -2.467 520 HA ASN 58 HA ASN 58 55.891 -10.541 -3.637 521 1HB ASN 58 HB2 ASN 58 55.573 -8.445 -1.497 522 2HB ASN 58 HB1 ASN 58 54.147 -9.252 -2.151 523 1HD2 ASN 58 HD22 ASN 58 55.447 -12.537 -1.014 524 2HD2 ASN 58 HD21 ASN 58 54.920 -11.864 -2.480 525 NH1 ARG 59 NH1 ARG 59 51.933 -5.905 -1.919 526 NH2 ARG 59 NH2 ARG 59 53.998 -6.615 -1.338 527 H ARG 59 HN ARG 59 56.251 -7.020 -3.771 528 HA ARG 59 HA ARG 59 53.937 -6.539 -5.443 529 1HB ARG 59 HB2 ARG 59 55.868 -4.953 -4.147 530 2HB ARG 59 HB1 ARG 59 56.095 -4.622 -5.863 531 1HG ARG 59 HG2 ARG 59 54.472 -3.077 -4.846 532 2HG ARG 59 HG1 ARG 59 53.740 -4.063 -6.108 533 1HD ARG 59 HD2 ARG 59 52.383 -3.799 -3.950 534 2HD ARG 59 HD1 ARG 59 52.619 -5.450 -4.511 535 HE ARG 59 HE ARG 59 54.599 -4.472 -2.556 536 1HH1 ARG 59 HH11 ARG 59 51.343 -5.289 -2.442 537 2HH1 ARG 59 HH12 ARG 59 51.528 -6.589 -1.313 538 1HH2 ARG 59 HH21 ARG 59 54.993 -6.543 -1.416 539 2HH2 ARG 59 HH22 ARG 59 53.591 -7.298 -0.733 540 NH1 ARG 60 NH1 ARG 60 63.527 -8.104 -6.711 541 NH2 ARG 60 NH2 ARG 60 63.867 -6.113 -7.724 542 H ARG 60 HN ARG 60 56.975 -8.000 -6.103 543 HA ARG 60 HA ARG 60 57.040 -7.187 -8.929 544 1HB ARG 60 HB2 ARG 60 58.734 -8.941 -7.164 545 2HB ARG 60 HB1 ARG 60 58.889 -9.043 -8.918 546 1HG ARG 60 HG2 ARG 60 59.770 -6.918 -9.106 547 2HG ARG 60 HG1 ARG 60 58.900 -6.320 -7.694 548 1HD ARG 60 HD2 ARG 60 60.742 -6.633 -6.440 549 2HD ARG 60 HD1 ARG 60 60.683 -8.359 -6.789 550 HE ARG 60 HE ARG 60 61.863 -7.225 -9.045 551 1HH1 ARG 60 HH11 ARG 60 62.948 -8.901 -6.541 552 2HH1 ARG 60 HH12 ARG 60 64.424 -8.035 -6.275 553 1HH2 ARG 60 HH21 ARG 60 63.550 -5.384 -8.330 554 2HH2 ARG 60 HH22 ARG 60 64.764 -6.045 -7.287 555 H GLN 61 HN GLN 61 56.429 -10.149 -7.041 556 HA GLN 61 HA GLN 61 55.326 -11.420 -9.499 557 1HB GLN 61 HB2 GLN 61 55.372 -13.522 -8.120 558 2HB GLN 61 HB1 GLN 61 56.964 -12.795 -8.338 559 1HG GLN 61 HG2 GLN 61 56.920 -11.840 -6.134 560 2HG GLN 61 HG1 GLN 61 55.220 -12.256 -5.924 561 1HE2 GLN 61 HE22 GLN 61 57.481 -14.847 -4.295 562 2HE2 GLN 61 HE21 GLN 61 57.450 -13.152 -4.198 563 H LYS 62 HN LYS 62 53.686 -9.518 -8.783 564 HA LYS 62 HA LYS 62 51.670 -10.536 -6.881 565 1HB LYS 62 HB2 LYS 62 50.542 -8.372 -7.360 566 2HB LYS 62 HB1 LYS 62 52.205 -8.158 -6.816 567 1HG LYS 62 HG2 LYS 62 52.813 -7.182 -8.758 568 2HG LYS 62 HG1 LYS 62 52.071 -8.464 -9.715 569 1HD LYS 62 HD2 LYS 62 49.989 -7.389 -9.784 570 2HD LYS 62 HD1 LYS 62 50.345 -6.399 -8.370 571 1HE LYS 62 HE2 LYS 62 51.153 -4.756 -9.673 572 2HE LYS 62 HE1 LYS 62 52.298 -5.864 -10.428 573 1HZ LYS 62 HZ3 LYS 62 49.441 -5.730 -11.200 574 2HZ LYS 62 HZ2 LYS 62 50.645 -4.802 -11.957 575 3HZ LYS 62 HZ1 LYS 62 50.707 -6.498 -12.026 576 H GLY 63 HN GLY 63 52.346 -11.461 -9.894 577 1HA GLY 63 HA2 GLY 63 49.468 -11.740 -10.619 578 2HA GLY 63 HA1 GLY 63 50.662 -11.307 -11.843 579 H LYS 64 HN LYS 64 51.612 -13.507 -9.318 580 HA LYS 64 HA LYS 64 51.437 -15.768 -11.263 581 1HB LYS 64 HB2 LYS 64 53.596 -15.051 -9.270 582 2HB LYS 64 HB1 LYS 64 53.481 -16.648 -10.011 583 1HG LYS 64 HG2 LYS 64 53.366 -14.306 -11.847 584 2HG LYS 64 HG1 LYS 64 54.927 -14.660 -11.104 585 1HD LYS 64 HD2 LYS 64 53.277 -16.802 -12.455 586 2HD LYS 64 HD1 LYS 64 54.441 -15.817 -13.342 587 1HE LYS 64 HE2 LYS 64 55.221 -17.278 -10.818 588 2HE LYS 64 HE1 LYS 64 55.280 -18.069 -12.392 589 1HZ LYS 64 HZ1 LYS 64 56.526 -15.700 -12.847 590 2HZ LYS 64 HZ3 LYS 64 57.030 -16.081 -11.272 591 3HZ LYS 64 HZ2 LYS 64 57.303 -17.178 -12.540 592 NH1 ARG 65 NH2 ARG 65 53.572 -20.704 -9.437 593 NH2 ARG 65 NH1 ARG 65 54.106 -22.554 -8.254 594 H ARG 65 HN ARG 65 51.932 -15.199 -7.779 595 HA ARG 65 HA ARG 65 49.722 -17.108 -7.240 596 1HB ARG 65 HB2 ARG 65 52.564 -17.308 -6.254 597 2HB ARG 65 HB1 ARG 65 51.235 -17.996 -5.321 598 1HG ARG 65 HG2 ARG 65 50.555 -19.363 -7.229 599 2HG ARG 65 HG1 ARG 65 51.809 -18.631 -8.229 600 1HD ARG 65 HD2 ARG 65 53.552 -19.558 -6.804 601 2HD ARG 65 HD1 ARG 65 52.343 -20.193 -5.687 602 HE ARG 65 HE ARG 65 51.677 -21.794 -7.429 603 1HH1 ARG 65 HH21 ARG 65 53.012 -19.884 -9.557 604 2HH1 ARG 65 HH22 ARG 65 54.284 -20.925 -10.104 605 1HH2 ARG 65 HH11 ARG 65 53.956 -23.152 -7.467 606 2HH2 ARG 65 HH12 ARG 65 54.819 -22.774 -8.920 607 H SER 66 HN SER 66 48.601 -15.083 -6.703 608 HA SER 66 HA SER 66 49.151 -14.262 -3.907 609 1HB SER 66 HB2 SER 66 49.175 -12.449 -6.307 610 2HB SER 66 HB1 SER 66 48.646 -11.832 -4.744 611 HG SER 66 HG SER 66 50.640 -11.883 -4.076 612 H SER 67 HN SER 67 47.270 -13.219 -2.919 613 HA SER 67 HA SER 67 44.760 -14.333 -3.935 614 1HB SER 67 HB2 SER 67 43.837 -13.134 -1.859 615 2HB SER 67 HB1 SER 67 45.005 -14.420 -1.571 616 HG SER 67 HG SER 67 45.162 -11.778 -1.011 Start of MODEL 10 Raw file had 616 H/Q atoms Start of MODEL 10 1 1H MET 1 HT3 MET 1 57.840 21.440 24.177 2 2H MET 1 HT2 MET 1 58.974 21.183 25.416 3 3H MET 1 HT1 MET 1 58.324 22.732 25.163 4 HA MET 1 HA MET 1 59.465 23.006 23.133 5 1HB MET 1 HB2 MET 1 60.735 22.834 25.535 6 2HB MET 1 HB1 MET 1 61.643 21.637 24.612 7 1HG MET 1 HG2 MET 1 62.208 23.254 22.921 8 2HG MET 1 HG1 MET 1 61.092 24.439 23.602 9 1HE MET 1 HE1 MET 1 63.646 24.909 22.683 10 2HE MET 1 HE3 MET 1 63.829 26.248 23.825 11 3HE MET 1 HE2 MET 1 65.048 24.978 23.749 12 H GLU 2 HN GLU 2 60.483 22.092 21.308 13 HA GLU 2 HA GLU 2 60.952 20.423 19.731 14 1HB GLU 2 HB2 GLU 2 61.448 18.685 22.167 15 2HB GLU 2 HB1 GLU 2 62.056 18.411 20.533 16 1HG GLU 2 HG2 GLU 2 62.948 20.949 20.978 17 2HG GLU 2 HG1 GLU 2 63.011 20.291 22.614 18 H THR 3 HN THR 3 58.297 20.804 20.124 19 HA THR 3 HA THR 3 57.176 18.029 20.177 20 HB THR 3 HB THR 3 56.312 19.293 22.069 21 HG1 THR 3 HG1 THR 3 54.835 18.013 20.858 22 1HG2 THR 3 HG21 THR 3 56.027 21.416 19.986 23 2HG2 THR 3 HG23 THR 3 54.847 21.379 21.295 24 3HG2 THR 3 HG22 THR 3 56.564 21.552 21.660 25 H LEU 4 HN LEU 4 55.103 17.906 18.815 26 HA LEU 4 HA LEU 4 54.951 19.832 16.589 27 1HB LEU 4 HB2 LEU 4 55.225 18.034 14.875 28 2HB LEU 4 HB1 LEU 4 56.701 18.333 15.791 29 HG LEU 4 HG LEU 4 55.674 16.436 17.366 30 1HD1 LEU 4 HD11 LEU 4 54.209 16.242 14.780 31 2HD1 LEU 4 HD13 LEU 4 54.790 14.731 15.479 32 3HD1 LEU 4 HD12 LEU 4 53.699 15.766 16.400 33 1HD2 LEU 4 HD21 LEU 4 57.857 16.418 16.127 34 2HD2 LEU 4 HD23 LEU 4 57.082 14.836 16.192 35 3HD2 LEU 4 HD22 LEU 4 57.003 15.796 14.715 36 H VAL 5 HN VAL 5 53.170 18.998 14.992 37 HA VAL 5 HA VAL 5 51.097 17.428 16.443 38 HB VAL 5 HB VAL 5 50.557 20.049 15.023 39 1HG1 VAL 5 HG11 VAL 5 48.821 18.216 16.707 40 2HG1 VAL 5 HG13 VAL 5 48.326 19.799 16.109 41 3HG1 VAL 5 HG12 VAL 5 48.668 18.495 14.972 42 1HG2 VAL 5 HG21 VAL 5 51.122 19.357 17.884 43 2HG2 VAL 5 HG23 VAL 5 51.582 20.794 16.969 44 3HG2 VAL 5 HG22 VAL 5 49.925 20.607 17.543 45 H GLN 6 HN GLN 6 51.585 19.181 13.372 46 HA GLN 6 HA GLN 6 50.732 16.690 11.950 47 1HB GLN 6 HB2 GLN 6 49.754 18.204 10.209 48 2HB GLN 6 HB1 GLN 6 48.957 18.347 11.776 49 1HG GLN 6 HG2 GLN 6 49.895 20.433 12.217 50 2HG GLN 6 HG1 GLN 6 51.269 20.154 11.145 51 1HE2 GLN 6 HE22 GLN 6 47.961 21.948 9.694 52 2HE2 GLN 6 HE21 GLN 6 48.148 21.591 11.343 53 H ALA 7 HN ALA 7 53.425 17.168 12.508 54 HA ALA 7 HA ALA 7 54.627 18.438 10.154 55 1HB ALA 7 HB3 ALA 7 55.482 18.408 12.666 56 2HB ALA 7 HB2 ALA 7 56.243 16.905 12.144 57 3HB ALA 7 HB1 ALA 7 56.623 18.418 11.321 58 NH1 ARG 8 NH2 ARG 8 59.710 11.764 9.035 59 NH2 ARG 8 NH1 ARG 8 59.680 13.680 10.235 60 H ARG 8 HN ARG 8 53.113 15.634 10.316 61 HA ARG 8 HA ARG 8 54.753 14.406 8.267 62 1HB ARG 8 HB2 ARG 8 55.814 13.689 10.471 63 2HB ARG 8 HB1 ARG 8 54.322 12.811 10.802 64 1HG ARG 8 HG2 ARG 8 54.817 11.167 9.314 65 2HG ARG 8 HG1 ARG 8 55.418 12.310 8.112 66 1HD ARG 8 HD2 ARG 8 56.927 11.343 10.559 67 2HD ARG 8 HD1 ARG 8 57.247 10.872 8.889 68 HE ARG 8 HE ARG 8 57.367 13.726 9.103 69 1HH1 ARG 8 HH21 ARG 8 59.228 11.068 8.504 70 2HH1 ARG 8 HH22 ARG 8 60.697 11.690 9.179 71 1HH2 ARG 8 HH11 ARG 8 59.176 14.451 10.623 72 2HH2 ARG 8 HH12 ARG 8 60.667 13.604 10.379 73 H LYS 9 HN LYS 9 52.198 15.361 8.100 74 HA LYS 9 HA LYS 9 50.703 12.938 7.446 75 1HB LYS 9 HB2 LYS 9 50.237 13.729 9.928 76 2HB LYS 9 HB1 LYS 9 49.228 14.934 9.125 77 1HG LYS 9 HG2 LYS 9 48.249 12.925 7.806 78 2HG LYS 9 HG1 LYS 9 48.967 11.932 9.075 79 1HD LYS 9 HD2 LYS 9 46.809 12.339 9.903 80 2HD LYS 9 HD1 LYS 9 47.772 13.578 10.708 81 1HE LYS 9 HE2 LYS 9 45.764 14.616 9.810 82 2HE LYS 9 HE1 LYS 9 47.156 15.175 8.882 83 1HZ LYS 9 HZ1 LYS 9 45.689 12.789 7.990 84 2HZ LYS 9 HZ3 LYS 9 45.045 14.324 7.669 85 3HZ LYS 9 HZ2 LYS 9 46.582 13.909 7.077 86 NH1 ARG 10 NH1 ARG 10 51.992 18.883 6.890 87 NH2 ARG 10 NH2 ARG 10 53.363 20.645 6.541 88 H ARG 10 HN ARG 10 51.871 15.166 5.978 89 HA ARG 10 HA ARG 10 49.704 16.939 5.201 90 1HB ARG 10 HB2 ARG 10 52.261 17.397 5.111 91 2HB ARG 10 HB1 ARG 10 52.210 16.502 3.593 92 1HG ARG 10 HG2 ARG 10 51.033 18.139 2.505 93 2HG ARG 10 HG1 ARG 10 50.128 18.593 3.950 94 1HD ARG 10 HD2 ARG 10 53.072 19.146 3.852 95 2HD ARG 10 HD1 ARG 10 51.973 20.213 2.979 96 HE ARG 10 HE ARG 10 50.987 20.861 5.091 97 1HH1 ARG 10 HH11 ARG 10 51.216 18.319 6.605 98 2HH1 ARG 10 HH12 ARG 10 52.491 18.659 7.725 99 1HH2 ARG 10 HH21 ARG 10 53.640 21.430 5.987 100 2HH2 ARG 10 HH22 ARG 10 53.860 20.426 7.381 101 H LYS 11 HN LYS 11 51.608 14.577 3.294 102 HA LYS 11 HA LYS 11 49.139 13.560 2.092 103 1HB LYS 11 HB2 LYS 11 50.700 15.580 0.805 104 2HB LYS 11 HB1 LYS 11 50.916 14.084 -0.101 105 1HG LYS 11 HG2 LYS 11 48.741 14.034 -0.795 106 2HG LYS 11 HG1 LYS 11 48.133 14.662 0.736 107 1HD LYS 11 HD2 LYS 11 48.068 16.772 -0.061 108 2HD LYS 11 HD1 LYS 11 49.729 16.670 -0.642 109 1HE LYS 11 HE2 LYS 11 49.043 15.707 -2.720 110 2HE LYS 11 HE1 LYS 11 47.412 15.406 -2.122 111 1HZ LYS 11 HZ3 LYS 11 48.449 18.155 -2.143 112 2HZ LYS 11 HZ2 LYS 11 47.904 17.469 -3.598 113 3HZ LYS 11 HZ1 LYS 11 46.848 17.606 -2.274 114 NH1 ARG 12 NH2 ARG 12 55.737 13.617 -0.625 115 NH2 ARG 12 NH1 ARG 12 56.656 14.511 1.237 116 H ARG 12 HN ARG 12 50.998 12.310 3.786 117 HA ARG 12 HA ARG 12 52.036 10.210 1.950 118 1HB ARG 12 HB2 ARG 12 53.591 11.834 3.917 119 2HB ARG 12 HB1 ARG 12 53.984 10.120 3.777 120 1HG ARG 12 HG2 ARG 12 54.523 10.318 1.474 121 2HG ARG 12 HG1 ARG 12 53.745 11.896 1.347 122 1HD ARG 12 HD2 ARG 12 55.453 12.835 2.893 123 2HD ARG 12 HD1 ARG 12 56.255 11.264 2.926 124 HE ARG 12 HE ARG 12 56.941 11.606 0.640 125 1HH1 ARG 12 HH21 ARG 12 55.429 12.818 -1.141 126 2HH1 ARG 12 HH22 ARG 12 55.646 14.532 -1.019 127 1HH2 ARG 12 HH11 ARG 12 57.053 14.395 2.148 128 2HH2 ARG 12 HH12 ARG 12 56.565 15.426 0.844 129 H THR 13 HN THR 13 49.685 10.452 3.756 130 HA THR 13 HA THR 13 50.252 8.747 6.060 131 HB THR 13 HB THR 13 47.636 8.721 6.079 132 HG1 THR 13 HG1 THR 13 46.691 9.910 4.627 133 1HG2 THR 13 HG23 THR 13 49.458 10.278 7.291 134 2HG2 THR 13 HG22 THR 13 48.652 11.508 6.319 135 3HG2 THR 13 HG21 THR 13 47.725 10.548 7.470 136 H SER 14 HN SER 14 49.136 8.359 2.760 137 HA SER 14 HA SER 14 48.808 5.425 3.244 138 1HB SER 14 HB2 SER 14 47.742 6.879 0.829 139 2HB SER 14 HB1 SER 14 47.206 5.349 1.517 140 HG SER 14 HG SER 14 46.383 6.500 3.281 141 H ILE 15 HN ILE 15 48.991 4.606 0.575 142 HA ILE 15 HA ILE 15 51.885 4.762 0.149 143 HB ILE 15 HB ILE 15 49.679 3.388 -1.422 144 1HG1 ILE 15 HG12 ILE 15 50.017 2.540 0.883 145 2HG1 ILE 15 HG11 ILE 15 50.523 1.355 -0.319 146 1HG2 ILE 15 HG22 ILE 15 52.700 3.243 -1.667 147 2HG2 ILE 15 HG21 ILE 15 51.602 2.076 -2.403 148 3HG2 ILE 15 HG23 ILE 15 51.559 3.766 -2.906 149 1HD1 ILE 15 HD11 ILE 15 52.786 2.998 0.220 150 2HD1 ILE 15 HD13 ILE 15 52.089 2.549 1.777 151 3HD1 ILE 15 HD12 ILE 15 52.561 1.301 0.626 152 H GLU 16 HN GLU 16 52.400 6.846 -0.518 153 HA GLU 16 HA GLU 16 50.935 8.269 -2.552 154 1HB GLU 16 HB2 GLU 16 53.280 8.710 -0.886 155 2HB GLU 16 HB1 GLU 16 53.598 9.208 -2.546 156 1HG GLU 16 HG2 GLU 16 51.032 10.018 -1.201 157 2HG GLU 16 HG1 GLU 16 52.514 10.925 -0.896 158 H ASN 17 HN ASN 17 52.083 8.795 -4.698 159 HA ASN 17 HA ASN 17 52.738 6.295 -5.994 160 1HB ASN 17 HB2 ASN 17 53.116 7.745 -8.013 161 2HB ASN 17 HB1 ASN 17 51.542 8.000 -7.258 162 1HD2 ASN 17 HD22 ASN 17 52.242 11.339 -6.293 163 2HD2 ASN 17 HD21 ASN 17 51.156 10.039 -6.184 164 NH1 ARG 18 NH2 ARG 18 59.663 14.434 -6.083 165 NH2 ARG 18 NH1 ARG 18 61.342 13.001 -6.575 166 H ARG 18 HN ARG 18 54.539 9.036 -4.764 167 HA ARG 18 HA ARG 18 57.074 8.136 -5.910 168 1HB ARG 18 HB2 ARG 18 56.101 10.426 -4.337 169 2HB ARG 18 HB1 ARG 18 57.708 9.886 -3.854 170 1HG ARG 18 HG2 ARG 18 58.223 9.866 -6.404 171 2HG ARG 18 HG1 ARG 18 56.788 10.883 -6.543 172 1HD ARG 18 HD2 ARG 18 57.731 12.560 -5.108 173 2HD ARG 18 HD1 ARG 18 59.060 11.499 -4.641 174 HE ARG 18 HE ARG 18 59.077 11.891 -7.488 175 1HH1 ARG 18 HH21 ARG 18 58.687 14.615 -5.961 176 2HH1 ARG 18 HH22 ARG 18 60.328 15.168 -5.946 177 1HH2 ARG 18 HH11 ARG 18 61.652 12.085 -6.831 178 2HH2 ARG 18 HH12 ARG 18 62.008 13.734 -6.438 179 H VAL 19 HN VAL 19 55.211 7.455 -3.037 180 HA VAL 19 HA VAL 19 57.509 6.522 -1.513 181 HB VAL 19 HB VAL 19 55.039 7.314 -0.721 182 1HG1 VAL 19 HG11 VAL 19 53.896 5.299 -1.626 183 2HG1 VAL 19 HG13 VAL 19 54.922 4.279 -0.618 184 3HG1 VAL 19 HG12 VAL 19 53.773 5.387 0.131 185 1HG2 VAL 19 HG21 VAL 19 56.861 5.306 0.633 186 2HG2 VAL 19 HG23 VAL 19 57.009 7.062 0.694 187 3HG2 VAL 19 HG22 VAL 19 55.635 6.266 1.462 188 NH1 ARG 20 NH1 ARG 20 50.148 5.148 -6.909 189 NH2 ARG 20 NH2 ARG 20 49.701 3.183 -5.883 190 H ARG 20 HN ARG 20 54.889 4.983 -3.354 191 HA ARG 20 HA ARG 20 55.779 2.299 -2.887 192 1HB ARG 20 HB2 ARG 20 54.372 1.713 -4.837 193 2HB ARG 20 HB1 ARG 20 53.523 2.788 -3.734 194 1HG ARG 20 HG2 ARG 20 54.114 4.720 -5.164 195 2HG ARG 20 HG1 ARG 20 54.943 3.632 -6.276 196 1HD ARG 20 HD2 ARG 20 52.881 3.719 -7.305 197 2HD ARG 20 HD1 ARG 20 52.609 2.359 -6.217 198 HE ARG 20 HE ARG 20 51.887 4.665 -4.780 199 1HH1 ARG 20 HH11 ARG 20 50.777 5.901 -7.101 200 2HH1 ARG 20 HH12 ARG 20 49.233 5.146 -7.312 201 1HH2 ARG 20 HH21 ARG 20 49.989 2.430 -5.291 202 2HH2 ARG 20 HH22 ARG 20 48.786 3.181 -6.285 203 CH2 TRP 21 CH2 TRP 21 54.870 -0.149 -8.142 204 H TRP 21 HN TRP 21 56.534 4.646 -5.436 205 HA TRP 21 HA TRP 21 58.392 2.697 -6.592 206 1HB TRP 21 HB2 TRP 21 57.731 5.472 -7.572 207 2HB TRP 21 HB1 TRP 21 58.646 4.238 -8.455 208 HD1 TRP 21 HD1 TRP 21 55.485 5.486 -8.944 209 HE1 TRP 21 HE1 TRP 21 53.632 3.734 -9.361 210 HE3 TRP 21 HE3 TRP 21 57.820 1.247 -7.261 211 HZ2 TRP 21 HZ2 TRP 21 53.196 0.899 -8.976 212 HZ3 TRP 21 HZ3 TRP 21 56.677 -0.909 -7.262 213 HH2 TRP 21 HH2 TRP 21 54.381 -1.111 -8.160 214 H SER 22 HN SER 22 58.615 4.435 -3.987 215 HA SER 22 HA SER 22 61.426 5.242 -4.320 216 1HB SER 22 HB2 SER 22 59.281 5.784 -2.342 217 2HB SER 22 HB1 SER 22 60.856 5.447 -1.629 218 HG SER 22 HG SER 22 61.720 7.131 -2.784 219 H LEU 23 HN LEU 23 59.204 2.930 -2.826 220 HA LEU 23 HA LEU 23 60.986 1.222 -1.406 221 1HB LEU 23 HB2 LEU 23 58.612 0.442 -3.130 222 2HB LEU 23 HB1 LEU 23 59.353 -0.580 -1.925 223 HG LEU 23 HG LEU 23 58.259 2.080 -1.107 224 1HD1 LEU 23 HD13 LEU 23 56.679 0.548 -2.612 225 2HD1 LEU 23 HD12 LEU 23 56.535 -0.388 -1.126 226 3HD1 LEU 23 HD11 LEU 23 56.047 1.306 -1.152 227 1HD2 LEU 23 HD21 LEU 23 58.704 -0.654 0.124 228 2HD2 LEU 23 HD23 LEU 23 59.403 0.885 0.625 229 3HD2 LEU 23 HD22 LEU 23 57.694 0.559 0.908 230 H GLU 24 HN GLU 24 59.819 1.161 -4.746 231 HA GLU 24 HA GLU 24 61.351 -1.058 -5.634 232 1HB GLU 24 HB2 GLU 24 59.414 0.239 -6.796 233 2HB GLU 24 HB1 GLU 24 60.703 1.245 -7.454 234 1HG GLU 24 HG2 GLU 24 61.785 -1.111 -8.021 235 2HG GLU 24 HG1 GLU 24 60.106 -1.646 -7.954 236 H THR 25 HN THR 25 62.205 2.343 -5.296 237 HA THR 25 HA THR 25 64.622 2.254 -6.847 238 HB THR 25 HB THR 25 64.000 3.978 -4.424 239 HG1 THR 25 HG1 THR 25 63.620 4.478 -7.187 240 1HG2 THR 25 HG22 THR 25 66.336 3.729 -6.072 241 2HG2 THR 25 HG21 THR 25 65.579 5.288 -6.404 242 3HG2 THR 25 HG23 THR 25 66.038 4.864 -4.756 243 H MET 26 HN MET 26 63.813 1.383 -3.540 244 HA MET 26 HA MET 26 66.613 0.877 -2.804 245 1HB MET 26 HB2 MET 26 64.437 1.542 -1.346 246 2HB MET 26 HB1 MET 26 64.408 -0.209 -1.138 247 1HG MET 26 HG2 MET 26 65.758 0.670 0.640 248 2HG MET 26 HG1 MET 26 66.866 -0.064 -0.519 249 1HE MET 26 HE3 MET 26 65.013 2.863 0.655 250 2HE MET 26 HE2 MET 26 65.996 4.295 0.369 251 3HE MET 26 HE1 MET 26 65.030 3.622 -0.942 252 H PHE 27 HN PHE 27 63.927 -1.025 -4.067 253 HA PHE 27 HA PHE 27 65.250 -3.575 -3.366 254 1HB PHE 27 HB2 PHE 27 62.638 -2.941 -4.774 255 2HB PHE 27 HB1 PHE 27 63.273 -4.576 -4.619 256 HD1 PHE 27 HD2 PHE 27 64.189 -5.081 -2.096 257 HD2 PHE 27 HD1 PHE 27 61.091 -2.306 -3.169 258 HE1 PHE 27 HE2 PHE 27 63.256 -5.236 0.196 259 HE2 PHE 27 HE1 PHE 27 60.157 -2.463 -0.877 260 HZ PHE 27 HZ PHE 27 61.240 -3.927 0.803 261 H LEU 28 HN LEU 28 65.361 -1.372 -5.985 262 HA LEU 28 HA LEU 28 65.921 -3.476 -7.970 263 1HB LEU 28 HB2 LEU 28 65.742 -0.468 -8.169 264 2HB LEU 28 HB1 LEU 28 66.188 -1.503 -9.528 265 HG LEU 28 HG LEU 28 63.642 -1.811 -7.912 266 1HD1 LEU 28 HD13 LEU 28 64.301 -0.272 -10.392 267 2HD1 LEU 28 HD12 LEU 28 62.729 -1.063 -10.285 268 3HD1 LEU 28 HD11 LEU 28 63.195 0.138 -9.080 269 1HD2 LEU 28 HD23 LEU 28 64.812 -3.193 -10.321 270 2HD2 LEU 28 HD22 LEU 28 64.128 -3.909 -8.861 271 3HD2 LEU 28 HD21 LEU 28 63.068 -3.164 -10.058 272 H LYS 29 HN LYS 29 67.795 -3.399 -5.850 273 HA LYS 29 HA LYS 29 70.235 -2.513 -7.329 274 1HB LYS 29 HB2 LYS 29 71.351 -2.188 -5.141 275 2HB LYS 29 HB1 LYS 29 69.937 -1.146 -5.286 276 1HG LYS 29 HG2 LYS 29 68.653 -3.057 -4.096 277 2HG LYS 29 HG1 LYS 29 70.248 -3.673 -3.664 278 1HD LYS 29 HD2 LYS 29 70.720 -1.273 -2.812 279 2HD LYS 29 HD1 LYS 29 68.970 -1.058 -2.873 280 1HE LYS 29 HE2 LYS 29 68.751 -3.148 -1.472 281 2HE LYS 29 HE1 LYS 29 70.504 -3.124 -1.275 282 1HZ LYS 29 HZ2 LYS 29 68.659 -0.924 -0.519 283 2HZ LYS 29 HZ1 LYS 29 69.366 -2.027 0.562 284 3HZ LYS 29 HZ3 LYS 29 70.342 -0.936 -0.294 285 H CYS 30 HN CYS 30 68.865 -4.819 -5.022 286 HA CYS 30 HA CYS 30 70.463 -6.962 -6.243 287 1HB CYS 30 HB2 CYS 30 70.328 -6.393 -3.263 288 2HB CYS 30 HB1 CYS 30 71.002 -7.860 -3.972 289 HG CYS 30 HG CYS 30 72.312 -5.056 -4.067 290 HA PRO 31 HA PRO 31 66.426 -8.806 -5.643 291 1HB PRO 31 HB2 PRO 31 67.033 -11.354 -6.428 292 2HB PRO 31 HB1 PRO 31 66.870 -10.013 -7.577 293 1HG PRO 31 HG2 PRO 31 69.336 -11.389 -6.643 294 2HG PRO 31 HG1 PRO 31 69.054 -10.492 -8.143 295 1HD PRO 31 HD2 PRO 31 70.410 -9.540 -5.809 296 2HD PRO 31 HD1 PRO 31 69.960 -8.590 -7.240 297 H LYS 32 HN LYS 32 68.865 -9.101 -3.507 298 HA LYS 32 HA LYS 32 67.600 -11.352 -2.048 299 1HB LYS 32 HB2 LYS 32 69.887 -11.683 -1.021 300 2HB LYS 32 HB1 LYS 32 69.809 -12.017 -2.751 301 1HG LYS 32 HG2 LYS 32 70.969 -10.076 -3.321 302 2HG LYS 32 HG1 LYS 32 70.506 -9.241 -1.841 303 1HD LYS 32 HD2 LYS 32 71.925 -11.283 -0.777 304 2HD LYS 32 HD1 LYS 32 72.753 -11.122 -2.326 305 1HE LYS 32 HE2 LYS 32 72.771 -8.573 -1.787 306 2HE LYS 32 HE1 LYS 32 72.456 -9.084 -0.129 307 1HZ LYS 32 HZ2 LYS 32 74.420 -10.517 -0.263 308 2HZ LYS 32 HZ1 LYS 32 74.741 -9.934 -1.826 309 3HZ LYS 32 HZ3 LYS 32 74.814 -8.881 -0.498 310 HA PRO 33 HA PRO 33 67.527 -7.480 0.580 311 1HB PRO 33 HB2 PRO 33 64.814 -7.371 0.998 312 2HB PRO 33 HB1 PRO 33 65.633 -6.546 -0.339 313 1HG PRO 33 HG2 PRO 33 63.962 -9.012 -0.396 314 2HG PRO 33 HG1 PRO 33 64.254 -7.823 -1.676 315 1HD PRO 33 HD2 PRO 33 65.486 -10.364 -1.475 316 2HD PRO 33 HD1 PRO 33 66.008 -9.031 -2.526 317 H SER 34 HN SER 34 67.242 -7.509 2.883 318 HA SER 34 HA SER 34 66.937 -10.201 4.037 319 1HB SER 34 HB2 SER 34 67.577 -8.831 6.165 320 2HB SER 34 HB1 SER 34 68.810 -9.151 4.948 321 HG SER 34 HG SER 34 68.305 -6.859 5.803 322 H LEU 35 HN LEU 35 65.428 -10.695 5.694 323 HA LEU 35 HA LEU 35 62.847 -9.462 5.479 324 1HB LEU 35 HB2 LEU 35 64.133 -11.381 7.393 325 2HB LEU 35 HB1 LEU 35 62.603 -10.629 7.853 326 HG LEU 35 HG LEU 35 62.780 -11.684 5.090 327 1HD1 LEU 35 HD13 LEU 35 62.641 -13.462 7.544 328 2HD1 LEU 35 HD12 LEU 35 62.210 -13.992 5.917 329 3HD1 LEU 35 HD11 LEU 35 63.867 -13.505 6.276 330 1HD2 LEU 35 HD21 LEU 35 60.771 -10.589 6.307 331 2HD2 LEU 35 HD23 LEU 35 60.464 -12.077 5.412 332 3HD2 LEU 35 HD22 LEU 35 60.631 -12.122 7.167 333 H GLN 36 HN GLN 36 65.707 -8.739 7.283 334 HA GLN 36 HA GLN 36 64.449 -7.003 9.263 335 1HB GLN 36 HB2 GLN 36 67.194 -7.768 8.481 336 2HB GLN 36 HB1 GLN 36 67.046 -6.097 9.026 337 1HG GLN 36 HG2 GLN 36 65.788 -6.970 11.043 338 2HG GLN 36 HG1 GLN 36 66.242 -8.597 10.533 339 1HE2 GLN 36 HE22 GLN 36 69.325 -6.083 11.616 340 2HE2 GLN 36 HE21 GLN 36 67.997 -5.441 10.775 341 H GLN 37 HN GLN 37 65.951 -6.642 6.092 342 HA GLN 37 HA GLN 37 65.801 -3.781 5.945 343 1HB GLN 37 HB2 GLN 37 67.155 -5.254 4.407 344 2HB GLN 37 HB1 GLN 37 65.644 -5.737 3.635 345 1HG GLN 37 HG2 GLN 37 65.162 -3.363 3.116 346 2HG GLN 37 HG1 GLN 37 66.697 -2.899 3.848 347 1HE2 GLN 37 HE22 GLN 37 66.698 -4.774 0.194 348 2HE2 GLN 37 HE21 GLN 37 65.314 -4.850 1.174 349 H ILE 38 HN ILE 38 63.447 -6.353 5.444 350 HA ILE 38 HA ILE 38 61.537 -4.649 4.078 351 HB ILE 38 HB ILE 38 61.310 -7.382 5.373 352 1HG1 ILE 38 HG12 ILE 38 62.428 -7.232 3.178 353 2HG1 ILE 38 HG11 ILE 38 60.879 -8.059 3.026 354 1HG2 ILE 38 HG22 ILE 38 59.103 -5.697 4.124 355 2HG2 ILE 38 HG21 ILE 38 58.979 -7.440 4.361 356 3HG2 ILE 38 HG23 ILE 38 59.133 -6.369 5.755 357 1HD1 ILE 38 HD12 ILE 38 60.223 -5.371 2.662 358 2HD1 ILE 38 HD11 ILE 38 61.763 -5.542 1.822 359 3HD1 ILE 38 HD13 ILE 38 60.400 -6.570 1.382 360 H THR 39 HN THR 39 62.291 -5.487 7.386 361 HA THR 39 HA THR 39 59.947 -4.340 8.614 362 HB THR 39 HB THR 39 62.746 -4.477 9.781 363 HG1 THR 39 HG1 THR 39 62.486 -6.546 9.894 364 1HG2 THR 39 HG21 THR 39 59.974 -4.415 11.001 365 2HG2 THR 39 HG23 THR 39 61.455 -4.699 11.915 366 3HG2 THR 39 HG22 THR 39 61.202 -3.153 11.106 367 H HIS 40 HN HIS 40 63.062 -3.089 7.558 368 HA HIS 40 HA HIS 40 62.581 -0.374 8.537 369 1HB HIS 40 HB2 HIS 40 64.608 -1.322 6.493 370 2HB HIS 40 HB1 HIS 40 64.656 0.183 7.414 371 HD1 HIS 40 HD1 HIS 40 66.516 -2.659 7.439 372 HD2 HIS 40 HD2 HIS 40 64.171 -0.962 10.440 373 HE1 HIS 40 HE1 HIS 40 67.380 -3.583 9.634 374 H ILE 41 HN ILE 41 61.764 -2.210 5.712 375 HA ILE 41 HA ILE 41 61.411 0.037 3.926 376 HB ILE 41 HB ILE 41 61.010 -2.857 3.890 377 1HG1 ILE 41 HG12 ILE 41 61.099 -1.945 1.266 378 2HG1 ILE 41 HG11 ILE 41 61.955 -0.691 2.156 379 1HG2 ILE 41 HG21 ILE 41 58.612 -2.256 3.731 380 2HG2 ILE 41 HG23 ILE 41 58.979 -1.245 2.333 381 3HG2 ILE 41 HG22 ILE 41 59.220 -2.990 2.247 382 1HD1 ILE 41 HD13 ILE 41 62.572 -3.598 2.653 383 2HD1 ILE 41 HD12 ILE 41 63.310 -2.743 1.298 384 3HD1 ILE 41 HD11 ILE 41 63.585 -2.186 2.948 385 H ALA 42 HN ALA 42 59.369 -1.775 6.181 386 HA ALA 42 HA ALA 42 56.933 -0.396 5.631 387 1HB ALA 42 HB2 ALA 42 57.227 -2.574 6.945 388 2HB ALA 42 HB1 ALA 42 57.706 -1.563 8.308 389 3HB ALA 42 HB3 ALA 42 56.087 -1.412 7.623 390 H ASN 43 HN ASN 43 59.369 0.075 8.173 391 HA ASN 43 HA ASN 43 58.210 2.476 9.228 392 1HB ASN 43 HB2 ASN 43 60.173 0.939 10.121 393 2HB ASN 43 HB1 ASN 43 61.182 2.045 9.190 394 1HD2 ASN 43 HD22 ASN 43 59.945 3.214 12.784 395 2HD2 ASN 43 HD21 ASN 43 59.970 1.601 12.255 396 H GLN 44 HN GLN 44 59.934 1.752 6.321 397 HA GLN 44 HA GLN 44 60.988 4.373 5.784 398 1HB GLN 44 HB2 GLN 44 60.943 1.763 4.559 399 2HB GLN 44 HB1 GLN 44 60.637 3.001 3.354 400 1HG GLN 44 HG2 GLN 44 62.939 3.134 5.316 401 2HG GLN 44 HG1 GLN 44 63.082 2.376 3.733 402 1HE2 GLN 44 HE22 GLN 44 64.163 5.870 3.225 403 2HE2 GLN 44 HE21 GLN 44 64.746 4.485 4.014 404 H LEU 45 HN LEU 45 57.922 2.727 5.039 405 HA LEU 45 HA LEU 45 56.951 5.367 4.043 406 1HB LEU 45 HB2 LEU 45 55.763 4.424 2.226 407 2HB LEU 45 HB1 LEU 45 57.362 3.698 2.174 408 HG LEU 45 HG LEU 45 55.027 2.342 3.525 409 1HD1 LEU 45 HD11 LEU 45 54.949 2.957 0.899 410 2HD1 LEU 45 HD13 LEU 45 55.933 1.496 0.820 411 3HD1 LEU 45 HD12 LEU 45 54.326 1.440 1.535 412 1HD2 LEU 45 HD21 LEU 45 57.834 1.698 2.759 413 2HD2 LEU 45 HD23 LEU 45 56.920 1.222 4.188 414 3HD2 LEU 45 HD22 LEU 45 56.639 0.405 2.652 415 H GLY 46 HN GLY 46 56.684 3.908 6.655 416 1HA GLY 46 HA2 GLY 46 55.035 3.434 8.256 417 2HA GLY 46 HA1 GLY 46 54.258 4.838 7.544 418 H LEU 47 HN LEU 47 54.661 1.796 5.761 419 HA LEU 47 HA LEU 47 51.686 1.570 5.761 420 1HB LEU 47 HB2 LEU 47 51.740 0.623 3.660 421 2HB LEU 47 HB1 LEU 47 53.236 1.533 3.562 422 HG LEU 47 HG LEU 47 52.943 -1.406 4.212 423 1HD1 LEU 47 HD11 LEU 47 52.909 -0.248 1.761 424 2HD1 LEU 47 HD13 LEU 47 54.643 -0.473 1.976 425 3HD1 LEU 47 HD12 LEU 47 53.557 -1.857 2.060 426 1HD2 LEU 47 HD21 LEU 47 55.153 0.477 4.613 427 2HD2 LEU 47 HD23 LEU 47 54.839 -1.061 5.396 428 3HD2 LEU 47 HD22 LEU 47 55.599 -1.013 3.808 429 H GLU 48 HN GLU 48 51.035 -0.915 5.467 430 HA GLU 48 HA GLU 48 52.058 -2.268 7.882 431 1HB GLU 48 HB2 GLU 48 49.546 -2.009 7.203 432 2HB GLU 48 HB1 GLU 48 49.884 -3.329 6.083 433 1HG GLU 48 HG2 GLU 48 49.425 -4.691 7.836 434 2HG GLU 48 HG1 GLU 48 51.030 -4.252 8.415 435 H LYS 49 HN LYS 49 53.098 -4.272 7.771 436 HA LYS 49 HA LYS 49 54.767 -4.835 5.571 437 1HB LYS 49 HB2 LYS 49 53.801 -6.559 7.851 438 2HB LYS 49 HB1 LYS 49 54.952 -7.152 6.652 439 1HG LYS 49 HG2 LYS 49 56.653 -5.872 7.462 440 2HG LYS 49 HG1 LYS 49 55.600 -4.493 7.774 441 1HD LYS 49 HD2 LYS 49 54.648 -5.870 9.725 442 2HD LYS 49 HD1 LYS 49 56.040 -6.930 9.506 443 1HE LYS 49 HE2 LYS 49 57.075 -4.298 9.499 444 2HE LYS 49 HE1 LYS 49 55.911 -4.358 10.822 445 1HZ LYS 49 HZ2 LYS 49 57.036 -6.539 11.423 446 2HZ LYS 49 HZ1 LYS 49 58.295 -6.050 10.393 447 3HZ LYS 49 HZ3 LYS 49 57.895 -5.109 11.747 448 H ASP 50 HN ASP 50 51.412 -5.645 6.011 449 HA ASP 50 HA ASP 50 51.375 -7.888 4.179 450 1HB ASP 50 HB2 ASP 50 49.630 -7.463 5.932 451 2HB ASP 50 HB1 ASP 50 49.072 -6.088 4.978 452 H VAL 51 HN VAL 51 50.772 -4.368 3.825 453 HA VAL 51 HA VAL 51 50.044 -4.713 1.006 454 HB VAL 51 HB VAL 51 49.088 -2.861 2.344 455 1HG1 VAL 51 HG13 VAL 51 51.893 -2.429 2.967 456 2HG1 VAL 51 HG12 VAL 51 51.142 -0.949 2.370 457 3HG1 VAL 51 HG11 VAL 51 50.464 -1.783 3.768 458 1HG2 VAL 51 HG22 VAL 51 49.635 -2.774 -0.216 459 2HG2 VAL 51 HG21 VAL 51 49.155 -1.288 0.605 460 3HG2 VAL 51 HG23 VAL 51 50.858 -1.596 0.263 461 H VAL 52 HN VAL 52 52.967 -4.308 2.829 462 HA VAL 52 HA VAL 52 54.511 -3.306 0.566 463 HB VAL 52 HB VAL 52 54.888 -3.094 3.226 464 1HG1 VAL 52 HG13 VAL 52 55.372 -5.625 3.315 465 2HG1 VAL 52 HG12 VAL 52 56.913 -5.217 2.561 466 3HG1 VAL 52 HG11 VAL 52 56.496 -4.541 4.137 467 1HG2 VAL 52 HG21 VAL 52 56.130 -2.198 1.048 468 2HG2 VAL 52 HG23 VAL 52 56.826 -2.004 2.655 469 3HG2 VAL 52 HG22 VAL 52 57.379 -3.309 1.608 470 NH1 ARG 53 NH1 ARG 53 54.845 -12.894 4.092 471 NH2 ARG 53 NH2 ARG 53 52.968 -13.795 3.214 472 H ARG 53 HN ARG 53 53.666 -6.415 1.940 473 HA ARG 53 HA ARG 53 55.703 -7.913 0.494 474 1HB ARG 53 HB2 ARG 53 54.205 -8.547 2.624 475 2HB ARG 53 HB1 ARG 53 53.166 -9.222 1.370 476 1HG ARG 53 HG2 ARG 53 55.734 -10.045 0.626 477 2HG ARG 53 HG1 ARG 53 55.727 -10.207 2.382 478 1HD ARG 53 HD2 ARG 53 53.549 -11.314 0.590 479 2HD ARG 53 HD1 ARG 53 54.927 -12.260 1.154 480 HE ARG 53 HE ARG 53 52.934 -11.029 3.019 481 1HH1 ARG 53 HH11 ARG 53 55.479 -12.125 4.177 482 2HH1 ARG 53 HH12 ARG 53 55.017 -13.741 4.595 483 1HH2 ARG 53 HH21 ARG 53 52.162 -13.716 2.627 484 2HH2 ARG 53 HH22 ARG 53 53.139 -14.642 3.718 485 H VAL 54 HN VAL 54 52.218 -7.271 0.040 486 HA VAL 54 HA VAL 54 51.990 -8.783 -2.406 487 HB VAL 54 HB VAL 54 50.339 -6.405 -1.489 488 1HG1 VAL 54 HG12 VAL 54 50.004 -8.531 -3.597 489 2HG1 VAL 54 HG11 VAL 54 48.588 -7.794 -2.847 490 3HG1 VAL 54 HG13 VAL 54 49.741 -6.792 -3.727 491 1HG2 VAL 54 HG21 VAL 54 50.676 -8.652 -0.042 492 2HG2 VAL 54 HG23 VAL 54 49.126 -7.816 -0.132 493 3HG2 VAL 54 HG22 VAL 54 49.429 -9.224 -1.150 494 CH2 TRP 55 CH2 TRP 55 58.621 -1.634 -4.355 495 H TRP 55 HN TRP 55 52.865 -5.434 -1.686 496 HA TRP 55 HA TRP 55 52.848 -4.540 -4.437 497 1HB TRP 55 HB2 TRP 55 52.693 -2.881 -2.688 498 2HB TRP 55 HB1 TRP 55 54.162 -3.470 -1.916 499 HD1 TRP 55 HD1 TRP 55 52.943 -1.169 -4.682 500 HE1 TRP 55 HE1 TRP 55 54.950 0.039 -5.681 501 HE3 TRP 55 HE3 TRP 55 56.762 -3.770 -2.495 502 HZ2 TRP 55 HZ2 TRP 55 57.824 -0.107 -5.649 503 HZ3 TRP 55 HZ3 TRP 55 59.114 -3.222 -2.992 504 HH2 TRP 55 HH2 TRP 55 59.650 -1.402 -4.573 505 H PHE 56 HN PHE 56 55.309 -6.012 -2.331 506 HA PHE 56 HA PHE 56 57.322 -5.744 -4.454 507 1HB PHE 56 HB2 PHE 56 57.809 -5.709 -1.902 508 2HB PHE 56 HB1 PHE 56 57.698 -7.467 -2.019 509 HD1 PHE 56 HD2 PHE 56 59.088 -4.824 -4.307 510 HD2 PHE 56 HD1 PHE 56 59.847 -8.417 -2.084 511 HE1 PHE 56 HE2 PHE 56 61.372 -4.907 -5.236 512 HE2 PHE 56 HE1 PHE 56 62.141 -8.506 -3.025 513 HZ PHE 56 HZ PHE 56 62.897 -6.745 -4.605 514 H CYS 57 HN CYS 57 54.776 -7.884 -3.812 515 HA CYS 57 HA CYS 57 55.993 -10.362 -4.658 516 1HB CYS 57 HB2 CYS 57 53.759 -10.167 -3.477 517 2HB CYS 57 HB1 CYS 57 53.093 -9.520 -4.976 518 HG CYS 57 HG CYS 57 54.496 -12.186 -5.427 519 H ASN 58 HN ASN 58 54.109 -7.830 -6.299 520 HA ASN 58 HA ASN 58 54.411 -8.962 -8.944 521 1HB ASN 58 HB2 ASN 58 52.690 -7.204 -8.184 522 2HB ASN 58 HB1 ASN 58 54.000 -6.029 -8.305 523 1HD2 ASN 58 HD22 ASN 58 53.142 -5.633 -11.705 524 2HD2 ASN 58 HD21 ASN 58 53.335 -4.896 -10.189 525 NH1 ARG 59 NH2 ARG 59 56.285 -4.662 -11.094 526 NH2 ARG 59 NH1 ARG 59 56.670 -2.454 -11.392 527 H ARG 59 HN ARG 59 56.151 -6.522 -7.029 528 HA ARG 59 HA ARG 59 58.054 -5.799 -9.062 529 1HB ARG 59 HB2 ARG 59 57.584 -5.171 -6.312 530 2HB ARG 59 HB1 ARG 59 59.276 -5.651 -6.455 531 1HG ARG 59 HG2 ARG 59 58.931 -3.213 -6.797 532 2HG ARG 59 HG1 ARG 59 59.639 -4.004 -8.203 533 1HD ARG 59 HD2 ARG 59 56.688 -3.941 -8.212 534 2HD ARG 59 HD1 ARG 59 57.448 -2.354 -8.291 535 HE ARG 59 HE ARG 59 58.831 -3.803 -10.184 536 1HH1 ARG 59 HH21 ARG 59 56.501 -5.524 -10.637 537 2HH1 ARG 59 HH22 ARG 59 55.558 -4.627 -11.780 538 1HH2 ARG 59 HH11 ARG 59 57.181 -1.626 -11.164 539 2HH2 ARG 59 HH12 ARG 59 55.941 -2.420 -12.076 540 NH1 ARG 60 NH2 ARG 60 59.635 -13.137 -1.722 541 NH2 ARG 60 NH1 ARG 60 58.493 -14.365 -3.238 542 H ARG 60 HN ARG 60 57.716 -8.667 -7.168 543 HA ARG 60 HA ARG 60 60.530 -9.463 -7.366 544 1HB ARG 60 HB2 ARG 60 58.017 -10.613 -6.245 545 2HB ARG 60 HB1 ARG 60 59.263 -11.758 -6.740 546 1HG ARG 60 HG2 ARG 60 60.873 -10.797 -5.266 547 2HG ARG 60 HG1 ARG 60 59.863 -9.381 -4.972 548 1HD ARG 60 HD2 ARG 60 59.446 -10.647 -3.057 549 2HD ARG 60 HD1 ARG 60 58.124 -11.158 -4.107 550 HE ARG 60 HE ARG 60 60.319 -12.896 -4.578 551 1HH1 ARG 60 HH21 ARG 60 60.232 -12.364 -1.506 552 2HH1 ARG 60 HH22 ARG 60 59.318 -13.742 -0.992 553 1HH2 ARG 60 HH11 ARG 60 58.215 -14.532 -4.183 554 2HH2 ARG 60 HH12 ARG 60 58.175 -14.970 -2.508 555 H GLN 61 HN GLN 61 57.445 -10.262 -8.929 556 HA GLN 61 HA GLN 61 58.946 -11.802 -11.001 557 1HB GLN 61 HB2 GLN 61 55.992 -11.777 -10.297 558 2HB GLN 61 HB1 GLN 61 56.708 -12.727 -11.599 559 1HG GLN 61 HG2 GLN 61 58.284 -13.665 -9.762 560 2HG GLN 61 HG1 GLN 61 57.097 -13.025 -8.625 561 1HE2 GLN 61 HE22 GLN 61 55.028 -15.830 -9.043 562 2HE2 GLN 61 HE21 GLN 61 55.609 -14.597 -8.031 563 H LYS 62 HN LYS 62 59.493 -9.363 -11.492 564 HA LYS 62 HA LYS 62 57.448 -7.903 -12.980 565 1HB LYS 62 HB2 LYS 62 59.357 -6.401 -13.566 566 2HB LYS 62 HB1 LYS 62 59.207 -6.664 -11.830 567 1HG LYS 62 HG2 LYS 62 61.241 -7.637 -11.708 568 2HG LYS 62 HG1 LYS 62 60.893 -8.699 -13.072 569 1HD LYS 62 HD2 LYS 62 61.304 -6.657 -14.569 570 2HD LYS 62 HD1 LYS 62 61.989 -5.882 -13.139 571 1HE LYS 62 HE2 LYS 62 62.904 -8.564 -14.212 572 2HE LYS 62 HE1 LYS 62 63.703 -7.034 -14.573 573 1HZ LYS 62 HZ3 LYS 62 63.219 -7.978 -11.807 574 2HZ LYS 62 HZ2 LYS 62 64.643 -8.334 -12.663 575 3HZ LYS 62 HZ1 LYS 62 64.238 -6.721 -12.316 576 H GLY 63 HN GLY 63 59.773 -10.392 -13.682 577 1HA GLY 63 HA2 GLY 63 58.777 -10.805 -16.322 578 2HA GLY 63 HA1 GLY 63 60.305 -9.929 -16.415 579 H LYS 64 HN LYS 64 58.799 -12.943 -15.359 580 HA LYS 64 HA LYS 64 61.483 -14.228 -15.502 581 1HB LYS 64 HB2 LYS 64 60.080 -13.821 -13.121 582 2HB LYS 64 HB1 LYS 64 59.723 -15.494 -13.541 583 1HG LYS 64 HG2 LYS 64 62.556 -14.582 -13.801 584 2HG LYS 64 HG1 LYS 64 61.924 -14.834 -12.173 585 1HD LYS 64 HD2 LYS 64 62.596 -16.987 -12.585 586 2HD LYS 64 HD1 LYS 64 61.006 -17.082 -13.342 587 1HE LYS 64 HE2 LYS 64 61.870 -16.985 -15.492 588 2HE LYS 64 HE1 LYS 64 63.308 -16.099 -14.986 589 1HZ LYS 64 HZ3 LYS 64 62.765 -18.930 -14.282 590 2HZ LYS 64 HZ2 LYS 64 63.735 -18.443 -15.589 591 3HZ LYS 64 HZ1 LYS 64 64.195 -18.064 -13.998 592 NH1 ARG 65 NH2 ARG 65 59.117 -21.996 -19.045 593 NH2 ARG 65 NH1 ARG 65 59.802 -22.615 -16.982 594 H ARG 65 HN ARG 65 58.144 -15.299 -14.866 595 HA ARG 65 HA ARG 65 58.295 -16.923 -17.357 596 1HB ARG 65 HB2 ARG 65 58.840 -18.313 -15.309 597 2HB ARG 65 HB1 ARG 65 57.201 -17.990 -14.742 598 1HG ARG 65 HG2 ARG 65 56.228 -19.305 -16.367 599 2HG ARG 65 HG1 ARG 65 57.514 -18.995 -17.534 600 1HD ARG 65 HD2 ARG 65 59.014 -20.357 -15.898 601 2HD ARG 65 HD1 ARG 65 57.487 -20.940 -15.235 602 HE ARG 65 HE ARG 65 56.968 -21.738 -17.591 603 1HH1 ARG 65 HH21 ARG 65 58.444 -21.554 -19.637 604 2HH1 ARG 65 HH22 ARG 65 59.939 -22.405 -19.440 605 1HH2 ARG 65 HH11 ARG 65 59.654 -22.647 -15.993 606 2HH2 ARG 65 HH12 ARG 65 60.625 -23.023 -17.377 607 H SER 66 HN SER 66 56.893 -14.407 -16.673 608 HA SER 66 HA SER 66 54.071 -15.363 -16.959 609 1HB SER 66 HB2 SER 66 54.351 -14.135 -14.871 610 2HB SER 66 HB1 SER 66 55.127 -12.803 -15.721 611 HG SER 66 HG SER 66 52.611 -13.019 -15.230 612 H SER 67 HN SER 67 55.067 -15.445 -19.298 613 HA SER 67 HA SER 67 54.052 -13.084 -20.710 614 1HB SER 67 HB2 SER 67 56.939 -13.597 -20.371 615 2HB SER 67 HB1 SER 67 56.441 -13.335 -22.040 616 HG SER 67 HG SER 67 56.021 -11.655 -19.792 Start of MODEL 11 Raw file had 616 H/Q atoms Start of MODEL 11 1 1H MET 1 HT1 MET 1 36.708 -4.215 12.852 2 2H MET 1 HT3 MET 1 35.259 -4.114 11.978 3 3H MET 1 HT2 MET 1 36.302 -5.434 11.741 4 HA MET 1 HA MET 1 36.652 -4.048 9.897 5 1HB MET 1 HB2 MET 1 35.618 -2.072 11.388 6 2HB MET 1 HB1 MET 1 37.326 -1.674 11.573 7 1HG MET 1 HG2 MET 1 36.903 -0.524 9.620 8 2HG MET 1 HG1 MET 1 37.318 -2.093 8.931 9 1HE MET 1 HE3 MET 1 36.338 -2.810 7.225 10 2HE MET 1 HE2 MET 1 34.673 -2.673 6.664 11 3HE MET 1 HE1 MET 1 35.737 -1.270 6.597 12 H GLU 2 HN GLU 2 38.600 -4.901 9.348 13 HA GLU 2 HA GLU 2 40.898 -4.543 11.210 14 1HB GLU 2 HB2 GLU 2 40.208 -6.526 9.074 15 2HB GLU 2 HB1 GLU 2 41.910 -6.229 9.430 16 1HG GLU 2 HG2 GLU 2 40.087 -6.637 11.754 17 2HG GLU 2 HG1 GLU 2 40.476 -8.054 10.778 18 H THR 3 HN THR 3 40.345 -4.520 7.661 19 HA THR 3 HA THR 3 41.803 -1.982 7.426 20 HB THR 3 HB THR 3 43.677 -3.538 7.465 21 HG1 THR 3 HG1 THR 3 44.559 -2.888 5.588 22 1HG2 THR 3 HG22 THR 3 42.148 -5.490 6.727 23 2HG2 THR 3 HG21 THR 3 42.498 -4.957 5.083 24 3HG2 THR 3 HG23 THR 3 43.810 -5.483 6.138 25 H LEU 4 HN LEU 4 41.746 -1.188 5.149 26 HA LEU 4 HA LEU 4 39.840 -2.595 3.369 27 1HB LEU 4 HB2 LEU 4 38.484 -0.542 3.077 28 2HB LEU 4 HB1 LEU 4 38.417 -1.133 4.735 29 HG LEU 4 HG LEU 4 40.656 0.608 4.622 30 1HD1 LEU 4 HD12 LEU 4 39.660 1.485 2.506 31 2HD1 LEU 4 HD11 LEU 4 38.189 1.879 3.396 32 3HD1 LEU 4 HD13 LEU 4 39.703 2.693 3.791 33 1HD2 LEU 4 HD22 LEU 4 38.875 0.127 6.447 34 2HD2 LEU 4 HD21 LEU 4 39.506 1.770 6.332 35 3HD2 LEU 4 HD23 LEU 4 37.925 1.383 5.653 36 H VAL 5 HN VAL 5 39.751 -1.422 1.191 37 HA VAL 5 HA VAL 5 41.953 0.405 0.589 38 HB VAL 5 HB VAL 5 43.167 -1.721 0.654 39 1HG1 VAL 5 HG11 VAL 5 40.835 -2.880 -0.122 40 2HG1 VAL 5 HG13 VAL 5 41.714 -2.879 -1.651 41 3HG1 VAL 5 HG12 VAL 5 42.406 -3.672 -0.236 42 1HG2 VAL 5 HG22 VAL 5 43.252 0.083 -1.389 43 2HG2 VAL 5 HG21 VAL 5 44.352 -1.287 -1.249 44 3HG2 VAL 5 HG23 VAL 5 42.929 -1.402 -2.283 45 H GLN 6 HN GLN 6 40.203 1.685 -0.196 46 HA GLN 6 HA GLN 6 39.009 0.694 -2.756 47 1HB GLN 6 HB2 GLN 6 37.076 2.205 -2.236 48 2HB GLN 6 HB1 GLN 6 37.260 0.890 -1.075 49 1HG GLN 6 HG2 GLN 6 37.701 2.311 0.632 50 2HG GLN 6 HG1 GLN 6 38.809 3.274 -0.343 51 1HE2 GLN 6 HE22 GLN 6 35.099 4.655 0.321 52 2HE2 GLN 6 HE21 GLN 6 35.746 3.317 1.141 53 H ALA 7 HN ALA 7 38.450 2.547 -4.258 54 HA ALA 7 HA ALA 7 40.739 4.259 -4.602 55 1HB ALA 7 HB2 ALA 7 39.016 3.310 -6.359 56 2HB ALA 7 HB1 ALA 7 38.132 4.790 -5.985 57 3HB ALA 7 HB3 ALA 7 39.772 4.881 -6.627 58 NH1 ARG 8 NH1 ARG 8 35.200 8.488 2.516 59 NH2 ARG 8 NH2 ARG 8 36.828 9.622 3.598 60 H ARG 8 HN ARG 8 41.016 5.806 -3.014 61 HA ARG 8 HA ARG 8 39.064 7.975 -2.911 62 1HB ARG 8 HB2 ARG 8 38.600 6.054 -1.098 63 2HB ARG 8 HB1 ARG 8 39.841 6.952 -0.221 64 1HG ARG 8 HG2 ARG 8 38.519 9.051 -0.642 65 2HG ARG 8 HG1 ARG 8 37.237 8.047 -1.318 66 1HD ARG 8 HD2 ARG 8 36.690 7.119 0.737 67 2HD ARG 8 HD1 ARG 8 38.309 7.357 1.392 68 HE ARG 8 HE ARG 8 37.333 9.935 1.008 69 1HH1 ARG 8 HH11 ARG 8 34.848 8.061 1.682 70 2HH1 ARG 8 HH12 ARG 8 34.653 8.474 3.353 71 1HH2 ARG 8 HH21 ARG 8 37.725 10.065 3.594 72 2HH2 ARG 8 HH22 ARG 8 36.281 9.608 4.435 73 H LYS 9 HN LYS 9 41.866 6.736 -1.044 74 HA LYS 9 HA LYS 9 43.116 9.405 -1.394 75 1HB LYS 9 HB2 LYS 9 42.623 8.650 0.973 76 2HB LYS 9 HB1 LYS 9 43.801 7.360 0.725 77 1HG LYS 9 HG2 LYS 9 45.546 9.017 0.238 78 2HG LYS 9 HG1 LYS 9 44.377 10.323 0.427 79 1HD LYS 9 HD2 LYS 9 43.979 9.508 2.787 80 2HD LYS 9 HD1 LYS 9 45.336 8.402 2.565 81 1HE LYS 9 HE2 LYS 9 46.895 10.083 2.625 82 2HE LYS 9 HE1 LYS 9 45.825 11.245 1.843 83 1HZ LYS 9 HZ2 LYS 9 44.515 11.045 4.056 84 2HZ LYS 9 HZ1 LYS 9 45.997 10.495 4.678 85 3HZ LYS 9 HZ3 LYS 9 45.893 12.036 3.977 86 NH1 ARG 10 NH1 ARG 10 44.729 3.532 -7.984 87 NH2 ARG 10 NH2 ARG 10 46.797 3.773 -8.864 88 H ARG 10 HN ARG 10 43.911 8.674 -3.507 89 HA ARG 10 HA ARG 10 46.329 6.985 -3.238 90 1HB ARG 10 HB2 ARG 10 44.186 5.985 -4.450 91 2HB ARG 10 HB1 ARG 10 44.784 6.950 -5.800 92 1HG ARG 10 HG2 ARG 10 46.836 5.344 -4.387 93 2HG ARG 10 HG1 ARG 10 45.625 4.413 -5.268 94 1HD ARG 10 HD2 ARG 10 47.109 6.738 -6.509 95 2HD ARG 10 HD1 ARG 10 47.691 5.077 -6.608 96 HE ARG 10 HE ARG 10 45.334 6.169 -7.996 97 1HH1 ARG 10 HH11 ARG 10 43.968 3.898 -7.449 98 2HH1 ARG 10 HH12 ARG 10 44.665 2.618 -8.384 99 1HH2 ARG 10 HH21 ARG 10 47.620 4.322 -9.002 100 2HH2 ARG 10 HH22 ARG 10 46.733 2.858 -9.263 101 H LYS 11 HN LYS 11 47.170 9.287 -2.990 102 HA LYS 11 HA LYS 11 47.978 10.284 -5.641 103 1HB LYS 11 HB2 LYS 11 46.106 11.615 -3.888 104 2HB LYS 11 HB1 LYS 11 47.562 12.595 -4.043 105 1HG LYS 11 HG2 LYS 11 47.318 12.824 -6.362 106 2HG LYS 11 HG1 LYS 11 46.293 11.394 -6.493 107 1HD LYS 11 HD2 LYS 11 45.241 13.574 -4.777 108 2HD LYS 11 HD1 LYS 11 45.319 13.928 -6.503 109 1HE LYS 11 HE2 LYS 11 43.290 12.880 -6.536 110 2HE LYS 11 HE1 LYS 11 44.279 11.420 -6.577 111 1HZ LYS 11 HZ2 LYS 11 43.582 12.643 -3.993 112 2HZ LYS 11 HZ1 LYS 11 42.443 11.671 -4.795 113 3HZ LYS 11 HZ3 LYS 11 43.946 11.023 -4.352 114 NH1 ARG 12 NH2 ARG 12 55.090 14.796 -6.053 115 NH2 ARG 12 NH1 ARG 12 55.209 16.773 -4.965 116 H ARG 12 HN ARG 12 49.405 12.503 -4.781 117 HA ARG 12 HA ARG 12 51.620 11.208 -3.282 118 1HB ARG 12 HB2 ARG 12 52.924 13.206 -4.024 119 2HB ARG 12 HB1 ARG 12 52.219 12.319 -5.376 120 1HG ARG 12 HG2 ARG 12 50.457 13.926 -5.627 121 2HG ARG 12 HG1 ARG 12 50.866 14.707 -4.099 122 1HD ARG 12 HD2 ARG 12 52.635 14.608 -6.560 123 2HD ARG 12 HD1 ARG 12 51.718 16.011 -6.013 124 HE ARG 12 HE ARG 12 53.193 15.589 -3.823 125 1HH1 ARG 12 HH21 ARG 12 54.584 13.965 -6.286 126 2HH1 ARG 12 HH22 ARG 12 56.007 14.944 -6.422 127 1HH2 ARG 12 HH11 ARG 12 54.795 17.456 -4.363 128 2HH2 ARG 12 HH12 ARG 12 56.126 16.921 -5.334 129 H THR 13 HN THR 13 49.441 11.743 -1.655 130 HA THR 13 HA THR 13 49.749 14.347 -0.357 131 HB THR 13 HB THR 13 48.286 11.877 0.629 132 HG1 THR 13 HG1 THR 13 46.485 12.881 -0.333 133 1HG2 THR 13 HG23 THR 13 48.451 14.739 1.483 134 2HG2 THR 13 HG22 THR 13 46.907 13.905 1.649 135 3HG2 THR 13 HG21 THR 13 48.338 13.281 2.468 136 H SER 14 HN SER 14 50.804 11.030 0.159 137 HA SER 14 HA SER 14 52.806 12.034 2.089 138 1HB SER 14 HB2 SER 14 50.790 9.858 2.648 139 2HB SER 14 HB1 SER 14 52.325 9.939 3.510 140 HG SER 14 HG SER 14 50.600 11.069 4.564 141 H ILE 15 HN ILE 15 52.730 10.985 -0.704 142 HA ILE 15 HA ILE 15 55.011 9.168 -0.432 143 HB ILE 15 HB ILE 15 52.453 8.296 -1.806 144 1HG1 ILE 15 HG12 ILE 15 52.628 7.811 0.627 145 2HG1 ILE 15 HG11 ILE 15 52.667 6.335 -0.330 146 1HG2 ILE 15 HG22 ILE 15 55.284 7.569 -2.312 147 2HG2 ILE 15 HG21 ILE 15 54.192 6.199 -2.112 148 3HG2 ILE 15 HG23 ILE 15 53.878 7.404 -3.362 149 1HD1 ILE 15 HD13 ILE 15 55.364 7.247 -0.077 150 2HD1 ILE 15 HD12 ILE 15 54.636 7.289 1.529 151 3HD1 ILE 15 HD11 ILE 15 54.641 5.790 0.601 152 H GLU 16 HN GLU 16 55.779 11.305 -1.292 153 HA GLU 16 HA GLU 16 55.106 12.167 -3.933 154 1HB GLU 16 HB2 GLU 16 57.706 12.565 -2.421 155 2HB GLU 16 HB1 GLU 16 57.154 13.506 -3.808 156 1HG GLU 16 HG2 GLU 16 55.217 14.300 -2.532 157 2HG GLU 16 HG1 GLU 16 55.708 13.323 -1.148 158 H ASN 17 HN ASN 17 56.467 11.879 -5.845 159 HA ASN 17 HA ASN 17 57.182 9.160 -6.303 160 1HB ASN 17 HB2 ASN 17 57.475 11.720 -7.806 161 2HB ASN 17 HB1 ASN 17 58.497 10.375 -8.311 162 1HD2 ASN 17 HD22 ASN 17 54.481 10.236 -9.007 163 2HD2 ASN 17 HD21 ASN 17 55.159 11.505 -8.105 164 NH1 ARG 18 NH2 ARG 18 62.831 17.164 -6.792 165 NH2 ARG 18 NH1 ARG 18 60.676 17.834 -6.666 166 H ARG 18 HN ARG 18 59.018 11.876 -5.098 167 HA ARG 18 HA ARG 18 61.601 10.556 -5.482 168 1HB ARG 18 HB2 ARG 18 60.911 12.940 -3.732 169 2HB ARG 18 HB1 ARG 18 62.524 12.455 -4.257 170 1HG ARG 18 HG2 ARG 18 61.902 12.855 -6.600 171 2HG ARG 18 HG1 ARG 18 60.270 13.302 -6.102 172 1HD ARG 18 HD2 ARG 18 61.458 15.056 -4.589 173 2HD ARG 18 HD1 ARG 18 62.853 14.781 -5.632 174 HE ARG 18 HE ARG 18 60.502 15.285 -7.220 175 1HH1 ARG 18 HH21 ARG 18 63.509 16.430 -6.810 176 2HH1 ARG 18 HH22 ARG 18 63.124 18.118 -6.857 177 1HH2 ARG 18 HH11 ARG 18 59.703 17.614 -6.586 178 2HH2 ARG 18 HH12 ARG 18 60.969 18.788 -6.731 179 H VAL 19 HN VAL 19 59.117 10.696 -3.010 180 HA VAL 19 HA VAL 19 60.812 9.779 -0.871 181 HB VAL 19 HB VAL 19 58.294 10.808 -0.882 182 1HG1 VAL 19 HG11 VAL 19 57.913 7.815 -0.580 183 2HG1 VAL 19 HG13 VAL 19 56.803 9.008 0.071 184 3HG1 VAL 19 HG12 VAL 19 57.060 8.909 -1.669 185 1HG2 VAL 19 HG23 VAL 19 59.898 10.627 1.001 186 2HG2 VAL 19 HG22 VAL 19 58.260 10.203 1.501 187 3HG2 VAL 19 HG21 VAL 19 59.449 8.934 1.204 188 NH1 ARG 20 NH1 ARG 20 55.569 2.617 -6.833 189 NH2 ARG 20 NH2 ARG 20 53.828 3.732 -5.920 190 H ARG 20 HN ARG 20 58.623 8.114 -3.125 191 HA ARG 20 HA ARG 20 59.101 5.500 -2.054 192 1HB ARG 20 HB2 ARG 20 57.493 6.539 -4.051 193 2HB ARG 20 HB1 ARG 20 58.661 5.583 -4.960 194 1HG ARG 20 HG2 ARG 20 57.949 3.593 -4.052 195 2HG ARG 20 HG1 ARG 20 57.505 4.333 -2.514 196 1HD ARG 20 HD2 ARG 20 55.456 3.697 -3.607 197 2HD ARG 20 HD1 ARG 20 55.580 5.453 -3.719 198 HE ARG 20 HE ARG 20 56.524 4.992 -6.079 199 1HH1 ARG 20 HH11 ARG 20 56.554 2.508 -6.965 200 2HH1 ARG 20 HH12 ARG 20 54.932 1.979 -7.266 201 1HH2 ARG 20 HH21 ARG 20 53.478 4.477 -5.353 202 2HH2 ARG 20 HH22 ARG 20 53.193 3.094 -6.356 203 CH2 TRP 21 CH2 TRP 21 60.099 2.099 -7.766 204 H TRP 21 HN TRP 21 60.680 7.171 -4.798 205 HA TRP 21 HA TRP 21 62.532 4.954 -5.019 206 1HB TRP 21 HB2 TRP 21 62.007 7.390 -6.553 207 2HB TRP 21 HB1 TRP 21 63.739 7.060 -6.395 208 HD1 TRP 21 HD1 TRP 21 64.277 5.894 -8.684 209 HE1 TRP 21 HE1 TRP 21 63.467 3.709 -9.803 210 HE3 TRP 21 HE3 TRP 21 60.320 4.748 -5.677 211 HZ2 TRP 21 HZ2 TRP 21 61.404 1.726 -9.430 212 HZ3 TRP 21 HZ3 TRP 21 58.970 2.740 -6.040 213 HH2 TRP 21 HH2 TRP 21 59.512 1.207 -7.923 214 H SER 22 HN SER 22 62.268 7.501 -2.820 215 HA SER 22 HA SER 22 65.104 7.786 -2.236 216 1HB SER 22 HB2 SER 22 63.579 9.549 -1.466 217 2HB SER 22 HB1 SER 22 62.625 8.370 -0.574 218 HG SER 22 HG SER 22 63.984 8.597 0.997 219 H LEU 23 HN LEU 23 62.337 5.835 -1.201 220 HA LEU 23 HA LEU 23 63.502 4.295 0.889 221 1HB LEU 23 HB2 LEU 23 61.639 3.328 -1.316 222 2HB LEU 23 HB1 LEU 23 61.921 2.507 0.200 223 HG LEU 23 HG LEU 23 60.919 5.327 0.256 224 1HD1 LEU 23 HD11 LEU 23 59.619 3.654 -1.357 225 2HD1 LEU 23 HD13 LEU 23 58.997 3.022 0.167 226 3HD1 LEU 23 HD12 LEU 23 58.729 4.712 -0.261 227 1HD2 LEU 23 HD23 LEU 23 61.582 4.086 2.339 228 2HD2 LEU 23 HD22 LEU 23 59.874 4.525 2.324 229 3HD2 LEU 23 HD21 LEU 23 60.362 2.870 1.960 230 H GLU 24 HN GLU 24 63.498 3.927 -2.620 231 HA GLU 24 HA GLU 24 64.963 1.518 -2.878 232 1HB GLU 24 HB2 GLU 24 63.885 3.108 -4.682 233 2HB GLU 24 HB1 GLU 24 65.505 3.803 -4.750 234 1HG GLU 24 HG2 GLU 24 66.246 1.270 -4.906 235 2HG GLU 24 HG1 GLU 24 64.596 1.044 -5.487 236 H THR 25 HN THR 25 66.320 4.836 -2.946 237 HA THR 25 HA THR 25 69.041 4.078 -3.064 238 HB THR 25 HB THR 25 69.341 6.372 -1.817 239 HG1 THR 25 HG1 THR 25 67.515 7.578 -1.739 240 1HG2 THR 25 HG23 THR 25 69.667 6.001 -4.236 241 2HG2 THR 25 HG22 THR 25 67.929 6.163 -4.493 242 3HG2 THR 25 HG21 THR 25 68.870 7.545 -3.931 243 H MET 26 HN MET 26 66.830 4.016 -0.359 244 HA MET 26 HA MET 26 69.003 3.850 1.622 245 1HB MET 26 HB2 MET 26 65.995 3.596 1.833 246 2HB MET 26 HB1 MET 26 67.083 3.447 3.214 247 1HG MET 26 HG2 MET 26 67.956 5.705 2.797 248 2HG MET 26 HG1 MET 26 66.915 5.858 1.381 249 1HE MET 26 HE3 MET 26 67.655 6.261 4.714 250 2HE MET 26 HE2 MET 26 66.774 7.778 4.556 251 3HE MET 26 HE1 MET 26 66.204 6.550 5.683 252 H PHE 27 HN PHE 27 66.975 1.622 -0.180 253 HA PHE 27 HA PHE 27 67.737 -0.641 1.557 254 1HB PHE 27 HB2 PHE 27 65.842 -0.315 -0.767 255 2HB PHE 27 HB1 PHE 27 66.364 -1.915 -0.253 256 HD1 PHE 27 HD1 PHE 27 66.172 -2.477 2.274 257 HD2 PHE 27 HD2 PHE 27 64.099 0.774 0.389 258 HE1 PHE 27 HE1 PHE 27 64.570 -2.399 4.164 259 HE2 PHE 27 HE2 PHE 27 62.499 0.854 2.275 260 HZ PHE 27 HZ PHE 27 62.735 -0.732 4.162 261 H LEU 28 HN LEU 28 68.974 0.880 -1.262 262 HA LEU 28 HA LEU 28 70.174 -1.606 -2.290 263 1HB LEU 28 HB2 LEU 28 70.377 1.256 -3.260 264 2HB LEU 28 HB1 LEU 28 71.052 -0.149 -4.091 265 HG LEU 28 HG LEU 28 68.121 0.153 -3.377 266 1HD1 LEU 28 HD11 LEU 28 69.590 0.644 -5.982 267 2HD1 LEU 28 HD13 LEU 28 67.837 0.498 -5.848 268 3HD1 LEU 28 HD12 LEU 28 68.676 1.823 -5.041 269 1HD2 LEU 28 HD22 LEU 28 69.706 -1.844 -5.014 270 2HD2 LEU 28 HD21 LEU 28 68.725 -2.163 -3.583 271 3HD2 LEU 28 HD23 LEU 28 67.950 -1.711 -5.101 272 H LYS 29 HN LYS 29 70.989 -0.185 0.369 273 HA LYS 29 HA LYS 29 73.892 0.098 -0.275 274 1HB LYS 29 HB2 LYS 29 74.151 1.350 1.760 275 2HB LYS 29 HB1 LYS 29 72.724 1.993 0.956 276 1HG LYS 29 HG2 LYS 29 71.271 0.643 2.425 277 2HG LYS 29 HG1 LYS 29 72.696 -0.036 3.218 278 1HD LYS 29 HD2 LYS 29 73.384 2.241 3.912 279 2HD LYS 29 HD1 LYS 29 71.925 2.898 3.168 280 1HE LYS 29 HE2 LYS 29 70.563 1.421 4.663 281 2HE LYS 29 HE1 LYS 29 72.053 0.930 5.469 282 1HZ LYS 29 HZ2 LYS 29 72.469 3.275 5.986 283 2HZ LYS 29 HZ1 LYS 29 70.978 3.692 5.286 284 3HZ LYS 29 HZ3 LYS 29 71.018 2.719 6.674 285 H CYS 30 HN CYS 30 71.600 -1.510 1.866 286 HA CYS 30 HA CYS 30 73.550 -3.701 2.235 287 1HB CYS 30 HB2 CYS 30 71.987 -2.382 4.477 288 2HB CYS 30 HB1 CYS 30 72.964 -3.841 4.643 289 HG CYS 30 HG CYS 30 74.326 -1.199 3.690 290 HA PRO 31 HA PRO 31 69.606 -5.707 1.356 291 1HB PRO 31 HB2 PRO 31 70.591 -8.239 1.039 292 2HB PRO 31 HB1 PRO 31 70.760 -6.984 -0.202 293 1HG PRO 31 HG2 PRO 31 72.823 -8.108 1.616 294 2HG PRO 31 HG1 PRO 31 73.027 -7.303 0.053 295 1HD PRO 31 HD2 PRO 31 73.417 -6.153 2.647 296 2HD PRO 31 HD1 PRO 31 73.475 -5.311 1.084 297 H LYS 32 HN LYS 32 70.817 -5.473 4.238 298 HA LYS 32 HA LYS 32 69.588 -7.954 5.310 299 1HB LYS 32 HB2 LYS 32 71.107 -7.558 7.302 300 2HB LYS 32 HB1 LYS 32 71.929 -7.979 5.800 301 1HG LYS 32 HG2 LYS 32 72.808 -5.858 5.521 302 2HG LYS 32 HG1 LYS 32 71.461 -5.076 6.350 303 1HD LYS 32 HD2 LYS 32 73.135 -6.890 8.005 304 2HD LYS 32 HD1 LYS 32 73.900 -5.390 7.480 305 1HE LYS 32 HE2 LYS 32 71.626 -4.309 8.274 306 2HE LYS 32 HE1 LYS 32 71.505 -5.778 9.243 307 1HZ LYS 32 HZ2 LYS 32 73.934 -5.205 9.862 308 2HZ LYS 32 HZ1 LYS 32 73.516 -3.636 9.362 309 3HZ LYS 32 HZ3 LYS 32 72.663 -4.377 10.627 310 HA PRO 33 HA PRO 33 67.527 -4.116 7.240 311 1HB PRO 33 HB2 PRO 33 65.153 -4.046 5.863 312 2HB PRO 33 HB1 PRO 33 66.577 -3.099 5.398 313 1HG PRO 33 HG2 PRO 33 65.475 -5.574 4.146 314 2HG PRO 33 HG1 PRO 33 66.389 -4.249 3.405 315 1HD PRO 33 HD2 PRO 33 67.462 -6.757 4.103 316 2HD PRO 33 HD1 PRO 33 68.391 -5.279 3.774 317 H SER 34 HN SER 34 66.163 -4.521 8.985 318 HA SER 34 HA SER 34 65.077 -7.242 9.276 319 1HB SER 34 HB2 SER 34 65.541 -4.948 11.156 320 2HB SER 34 HB1 SER 34 64.545 -6.323 11.625 321 HG SER 34 HG SER 34 66.885 -6.419 12.102 322 H LEU 35 HN LEU 35 62.854 -7.591 9.975 323 HA LEU 35 HA LEU 35 60.912 -6.055 8.519 324 1HB LEU 35 HB2 LEU 35 60.510 -7.822 10.960 325 2HB LEU 35 HB1 LEU 35 59.234 -7.261 9.879 326 HG LEU 35 HG LEU 35 61.094 -8.362 8.138 327 1HD1 LEU 35 HD13 LEU 35 61.203 -9.710 10.789 328 2HD1 LEU 35 HD12 LEU 35 61.104 -10.759 9.375 329 3HD1 LEU 35 HD11 LEU 35 62.431 -9.608 9.528 330 1HD2 LEU 35 HD21 LEU 35 58.570 -8.560 8.180 331 2HD2 LEU 35 HD23 LEU 35 59.409 -10.054 7.763 332 3HD2 LEU 35 HD22 LEU 35 58.754 -9.833 9.386 333 H GLN 36 HN GLN 36 62.474 -5.678 11.595 334 HA GLN 36 HA GLN 36 60.558 -3.834 12.778 335 1HB GLN 36 HB2 GLN 36 63.457 -4.513 13.282 336 2HB GLN 36 HB1 GLN 36 62.714 -3.129 14.086 337 1HG GLN 36 HG2 GLN 36 60.806 -4.974 14.555 338 2HG GLN 36 HG1 GLN 36 62.213 -6.035 14.471 339 1HE2 GLN 36 HE22 GLN 36 62.079 -3.202 17.456 340 2HE2 GLN 36 HE21 GLN 36 61.221 -2.925 16.019 341 H GLN 37 HN GLN 37 63.482 -3.582 10.813 342 HA GLN 37 HA GLN 37 63.626 -0.726 10.707 343 1HB GLN 37 HB2 GLN 37 65.447 -2.312 9.969 344 2HB GLN 37 HB1 GLN 37 64.475 -2.680 8.544 345 1HG GLN 37 HG2 GLN 37 64.526 -0.329 7.862 346 2HG GLN 37 HG1 GLN 37 65.419 0.097 9.323 347 1HE2 GLN 37 HE22 GLN 37 68.441 -1.605 8.150 348 2HE2 GLN 37 HE21 GLN 37 67.518 -1.458 9.567 349 H ILE 38 HN ILE 38 61.678 -3.103 8.973 350 HA ILE 38 HA ILE 38 60.811 -1.297 6.901 351 HB ILE 38 HB ILE 38 59.849 -3.974 7.910 352 1HG1 ILE 38 HG12 ILE 38 61.697 -3.872 6.288 353 2HG1 ILE 38 HG11 ILE 38 60.271 -4.594 5.547 354 1HG2 ILE 38 HG22 ILE 38 58.275 -2.031 6.226 355 2HG2 ILE 38 HG21 ILE 38 58.152 -3.760 5.900 356 3HG2 ILE 38 HG23 ILE 38 57.702 -3.127 7.483 357 1HD1 ILE 38 HD11 ILE 38 59.737 -2.155 4.764 358 2HD1 ILE 38 HD13 ILE 38 61.437 -1.850 5.110 359 3HD1 ILE 38 HD12 ILE 38 60.987 -3.058 3.911 360 H THR 39 HN THR 39 59.753 -2.037 10.157 361 HA THR 39 HA THR 39 57.257 -0.605 10.082 362 HB THR 39 HB THR 39 58.881 -0.620 12.592 363 HG1 THR 39 HG1 THR 39 57.761 -2.929 11.384 364 1HG2 THR 39 HG22 THR 39 56.017 -1.053 11.768 365 2HG2 THR 39 HG21 THR 39 56.580 -1.549 13.364 366 3HG2 THR 39 HG23 THR 39 56.676 0.145 12.882 367 H HIS 40 HN HIS 40 60.498 0.365 11.206 368 HA HIS 40 HA HIS 40 59.865 3.133 11.631 369 1HB HIS 40 HB2 HIS 40 61.946 1.872 12.436 370 2HB HIS 40 HB1 HIS 40 62.569 2.062 10.798 371 HD1 HIS 40 HD1 HIS 40 63.913 4.124 10.459 372 HD2 HIS 40 HD2 HIS 40 61.119 4.615 13.515 373 HE1 HIS 40 HE1 HIS 40 64.287 6.442 11.408 374 H ILE 41 HN ILE 41 60.393 1.258 8.766 375 HA ILE 41 HA ILE 41 61.169 3.410 7.016 376 HB ILE 41 HB ILE 41 60.562 0.580 6.839 377 1HG1 ILE 41 HG12 ILE 41 61.823 1.281 4.487 378 2HG1 ILE 41 HG11 ILE 41 62.278 2.599 5.565 379 1HG2 ILE 41 HG23 ILE 41 58.503 1.268 5.660 380 2HG2 ILE 41 HG22 ILE 41 59.475 2.221 4.539 381 3HG2 ILE 41 HG21 ILE 41 59.639 0.466 4.574 382 1HD1 ILE 41 HD13 ILE 41 62.486 -0.278 6.442 383 2HD1 ILE 41 HD12 ILE 41 63.784 0.499 5.538 384 3HD1 ILE 41 HD11 ILE 41 63.303 1.134 7.111 385 H ALA 42 HN ALA 42 58.115 1.908 7.967 386 HA ALA 42 HA ALA 42 56.358 3.405 6.329 387 1HB ALA 42 HB2 ALA 42 56.038 1.368 8.085 388 2HB ALA 42 HB1 ALA 42 55.438 2.707 9.064 389 3HB ALA 42 HB3 ALA 42 54.693 2.351 7.506 390 H ASN 43 HN ASN 43 57.242 3.974 9.740 391 HA ASN 43 HA ASN 43 55.981 6.541 9.909 392 1HB ASN 43 HB2 ASN 43 58.429 5.547 11.407 393 2HB ASN 43 HB1 ASN 43 57.402 6.898 11.885 394 1HD2 ASN 43 HD22 ASN 43 56.385 3.263 13.124 395 2HD2 ASN 43 HD21 ASN 43 57.937 3.701 12.592 396 H GLN 44 HN GLN 44 58.879 5.427 8.375 397 HA GLN 44 HA GLN 44 60.289 7.932 8.304 398 1HB GLN 44 HB2 GLN 44 60.670 5.219 7.384 399 2HB GLN 44 HB1 GLN 44 61.165 6.367 6.150 400 1HG GLN 44 HG2 GLN 44 62.102 6.335 9.037 401 2HG GLN 44 HG1 GLN 44 63.042 5.797 7.647 402 1HE2 GLN 44 HE22 GLN 44 62.832 9.752 8.513 403 2HE2 GLN 44 HE21 GLN 44 62.055 8.591 9.477 404 H LEU 45 HN LEU 45 57.908 6.406 6.151 405 HA LEU 45 HA LEU 45 57.930 8.956 4.608 406 1HB LEU 45 HB2 LEU 45 57.757 7.865 2.518 407 2HB LEU 45 HB1 LEU 45 59.033 7.019 3.379 408 HG LEU 45 HG LEU 45 56.182 6.037 3.390 409 1HD1 LEU 45 HD12 LEU 45 57.791 6.248 1.102 410 2HD1 LEU 45 HD11 LEU 45 58.003 4.581 1.638 411 3HD1 LEU 45 HD13 LEU 45 56.389 5.201 1.302 412 1HD2 LEU 45 HD22 LEU 45 58.859 5.090 4.271 413 2HD2 LEU 45 HD21 LEU 45 57.276 4.837 5.004 414 3HD2 LEU 45 HD23 LEU 45 57.760 3.881 3.606 415 H GLY 46 HN GLY 46 56.178 7.826 6.796 416 1HA GLY 46 HA2 GLY 46 53.900 7.677 7.330 417 2HA GLY 46 HA1 GLY 46 53.785 9.053 6.244 418 H LEU 47 HN LEU 47 54.641 5.805 5.106 419 HA LEU 47 HA LEU 47 52.091 5.836 3.559 420 1HB LEU 47 HB2 LEU 47 53.123 4.721 1.842 421 2HB LEU 47 HB1 LEU 47 54.549 5.447 2.548 422 HG LEU 47 HG LEU 47 53.561 2.627 2.967 423 1HD1 LEU 47 HD12 LEU 47 54.985 3.608 0.873 424 2HD1 LEU 47 HD11 LEU 47 56.295 3.215 1.986 425 3HD1 LEU 47 HD13 LEU 47 55.164 1.962 1.479 426 1HD2 LEU 47 HD22 LEU 47 55.468 4.278 4.481 427 2HD2 LEU 47 HD21 LEU 47 54.565 2.861 4.991 428 3HD2 LEU 47 HD23 LEU 47 56.047 2.678 4.055 429 H GLU 48 HN GLU 48 51.375 3.417 3.062 430 HA GLU 48 HA GLU 48 50.800 2.207 5.696 431 1HB GLU 48 HB2 GLU 48 49.171 2.636 3.588 432 2HB GLU 48 HB1 GLU 48 49.751 1.025 3.166 433 1HG GLU 48 HG2 GLU 48 49.013 0.133 5.294 434 2HG GLU 48 HG1 GLU 48 48.599 1.748 5.873 435 H LYS 49 HN LYS 49 51.488 0.093 6.199 436 HA LYS 49 HA LYS 49 53.959 -0.810 5.163 437 1HB LYS 49 HB2 LYS 49 52.606 -1.479 7.330 438 2HB LYS 49 HB1 LYS 49 52.028 -2.791 6.303 439 1HG LYS 49 HG2 LYS 49 54.968 -2.177 6.443 440 2HG LYS 49 HG1 LYS 49 54.209 -3.145 7.706 441 1HD LYS 49 HD2 LYS 49 53.190 -4.296 5.418 442 2HD LYS 49 HD1 LYS 49 54.820 -3.853 4.912 443 1HE LYS 49 HE2 LYS 49 55.276 -5.912 5.849 444 2HE LYS 49 HE1 LYS 49 55.440 -4.906 7.288 445 1HZ LYS 49 HZ1 LYS 49 52.801 -5.979 6.567 446 2HZ LYS 49 HZ3 LYS 49 53.925 -6.994 7.331 447 3HZ LYS 49 HZ2 LYS 49 53.414 -5.566 8.097 448 H ASP 50 HN ASP 50 50.754 -1.239 3.887 449 HA ASP 50 HA ASP 50 51.302 -3.624 2.351 450 1HB ASP 50 HB2 ASP 50 49.010 -2.677 3.017 451 2HB ASP 50 HB1 ASP 50 49.220 -1.544 1.681 452 H VAL 51 HN VAL 51 51.558 -0.120 1.639 453 HA VAL 51 HA VAL 51 52.225 -0.687 -1.167 454 HB VAL 51 HB VAL 51 51.053 1.404 -0.549 455 1HG1 VAL 51 HG11 VAL 51 53.197 1.547 1.397 456 2HG1 VAL 51 HG13 VAL 51 53.132 3.025 0.441 457 3HG1 VAL 51 HG12 VAL 51 51.705 2.478 1.318 458 1HG2 VAL 51 HG23 VAL 51 53.075 1.101 -2.379 459 2HG2 VAL 51 HG22 VAL 51 52.064 2.540 -2.246 460 3HG2 VAL 51 HG21 VAL 51 53.644 2.497 -1.462 461 H VAL 52 HN VAL 52 53.907 -0.305 1.859 462 HA VAL 52 HA VAL 52 56.499 0.212 0.672 463 HB VAL 52 HB VAL 52 55.488 0.586 3.155 464 1HG1 VAL 52 HG12 VAL 52 55.544 -1.959 3.525 465 2HG1 VAL 52 HG11 VAL 52 57.297 -1.783 3.613 466 3HG1 VAL 52 HG13 VAL 52 56.266 -0.945 4.774 467 1HG2 VAL 52 HG22 VAL 52 57.792 1.157 1.894 468 2HG2 VAL 52 HG21 VAL 52 57.544 1.472 3.611 469 3HG2 VAL 52 HG23 VAL 52 58.403 0.021 3.097 470 NH1 ARG 53 NH2 ARG 53 55.399 -10.374 0.971 471 NH2 ARG 53 NH1 ARG 53 57.318 -10.266 2.159 472 H ARG 53 HN ARG 53 54.628 -2.637 1.513 473 HA ARG 53 HA ARG 53 56.896 -4.464 1.207 474 1HB ARG 53 HB2 ARG 53 54.588 -4.721 2.543 475 2HB ARG 53 HB1 ARG 53 54.090 -5.454 1.018 476 1HG ARG 53 HG2 ARG 53 56.730 -6.275 2.146 477 2HG ARG 53 HG1 ARG 53 55.278 -6.892 2.934 478 1HD ARG 53 HD2 ARG 53 54.579 -8.055 1.035 479 2HD ARG 53 HD1 ARG 53 55.497 -7.018 -0.057 480 HE ARG 53 HE ARG 53 57.536 -8.206 0.641 481 1HH1 ARG 53 HH21 ARG 53 54.738 -9.950 0.353 482 2HH1 ARG 53 HH22 ARG 53 55.252 -11.309 1.295 483 1HH2 ARG 53 HH11 ARG 53 58.128 -9.758 2.453 484 2HH2 ARG 53 HH12 ARG 53 57.171 -11.202 2.480 485 H VAL 54 HN VAL 54 54.109 -3.449 -0.767 486 HA VAL 54 HA VAL 54 54.552 -5.275 -2.931 487 HB VAL 54 HB VAL 54 53.382 -2.475 -3.064 488 1HG1 VAL 54 HG11 VAL 54 53.381 -4.863 -4.900 489 2HG1 VAL 54 HG13 VAL 54 52.042 -3.716 -4.934 490 3HG1 VAL 54 HG12 VAL 54 53.681 -3.169 -5.287 491 1HG2 VAL 54 HG23 VAL 54 52.456 -4.363 -1.410 492 2HG2 VAL 54 HG22 VAL 54 51.362 -3.322 -2.318 493 3HG2 VAL 54 HG21 VAL 54 51.712 -4.951 -2.895 494 CH2 TRP 55 CH2 TRP 55 62.784 0.525 -1.939 495 H TRP 55 HN TRP 55 55.772 -1.954 -2.375 496 HA TRP 55 HA TRP 55 57.261 -1.901 -4.847 497 1HB TRP 55 HB2 TRP 55 56.851 0.232 -3.826 498 2HB TRP 55 HB1 TRP 55 57.509 -0.300 -2.281 499 HD1 TRP 55 HD1 TRP 55 58.671 0.593 -5.872 500 HE1 TRP 55 HE1 TRP 55 61.179 1.182 -5.766 501 HE3 TRP 55 HE3 TRP 55 59.681 -0.502 -0.978 502 HZ2 TRP 55 HZ2 TRP 55 63.294 1.197 -3.912 503 HZ3 TRP 55 HZ3 TRP 55 61.976 -0.212 -0.095 504 HH2 TRP 55 HH2 TRP 55 63.779 0.657 -1.545 505 H PHE 56 HN PHE 56 58.001 -3.002 -1.525 506 HA PHE 56 HA PHE 56 60.734 -3.613 -2.361 507 1HB PHE 56 HB2 PHE 56 59.760 -2.995 0.101 508 2HB PHE 56 HB1 PHE 56 59.832 -4.756 0.213 509 HD1 PHE 56 HD1 PHE 56 61.972 -2.270 -1.585 510 HD2 PHE 56 HD2 PHE 56 61.814 -5.366 1.375 511 HE1 PHE 56 HE1 PHE 56 64.420 -2.134 -1.341 512 HE2 PHE 56 HE2 PHE 56 64.286 -5.245 1.610 513 HZ PHE 56 HZ PHE 56 65.575 -3.627 0.229 514 H CYS 57 HN CYS 57 57.922 -5.126 -3.021 515 HA CYS 57 HA CYS 57 58.829 -7.875 -2.562 516 1HB CYS 57 HB2 CYS 57 56.350 -6.675 -3.198 517 2HB CYS 57 HB1 CYS 57 56.800 -7.561 -4.654 518 HG CYS 57 HG CYS 57 56.787 -9.762 -3.331 519 H ASN 58 HN ASN 58 58.645 -5.498 -5.150 520 HA ASN 58 HA ASN 58 60.013 -7.253 -7.076 521 1HB ASN 58 HB2 ASN 58 58.313 -5.194 -7.446 522 2HB ASN 58 HB1 ASN 58 59.841 -4.315 -7.540 523 1HD2 ASN 58 HD22 ASN 58 58.895 -5.747 -10.929 524 2HD2 ASN 58 HD21 ASN 58 58.027 -4.814 -9.808 525 NH1 ARG 59 NH1 ARG 59 63.984 -2.042 -7.894 526 NH2 ARG 59 NH2 ARG 59 66.033 -2.986 -7.980 527 H ARG 59 HN ARG 59 60.808 -4.563 -4.892 528 HA ARG 59 HA ARG 59 63.503 -4.187 -5.867 529 1HB ARG 59 HB2 ARG 59 61.887 -3.023 -3.786 530 2HB ARG 59 HB1 ARG 59 63.403 -3.543 -3.062 531 1HG ARG 59 HG2 ARG 59 63.099 -1.746 -5.477 532 2HG ARG 59 HG1 ARG 59 63.606 -1.264 -3.866 533 1HD ARG 59 HD2 ARG 59 65.724 -2.049 -4.142 534 2HD ARG 59 HD1 ARG 59 65.197 -3.458 -5.058 535 HE ARG 59 HE ARG 59 65.928 -0.848 -6.178 536 1HH1 ARG 59 HH11 ARG 59 63.312 -1.470 -7.425 537 2HH1 ARG 59 HH12 ARG 59 63.757 -2.460 -8.774 538 1HH2 ARG 59 HH21 ARG 59 66.935 -3.139 -7.576 539 2HH2 ARG 59 HH22 ARG 59 65.804 -3.398 -8.862 540 NH1 ARG 60 NH2 ARG 60 61.213 -10.753 2.231 541 NH2 ARG 60 NH1 ARG 60 63.432 -11.114 2.447 542 H ARG 60 HN ARG 60 61.973 -6.506 -3.741 543 HA ARG 60 HA ARG 60 64.442 -7.443 -2.515 544 1HB ARG 60 HB2 ARG 60 61.580 -8.211 -2.523 545 2HB ARG 60 HB1 ARG 60 62.711 -9.544 -2.292 546 1HG ARG 60 HG2 ARG 60 63.830 -8.178 -0.490 547 2HG ARG 60 HG1 ARG 60 62.514 -7.013 -0.639 548 1HD ARG 60 HD2 ARG 60 61.032 -8.360 0.439 549 2HD ARG 60 HD1 ARG 60 61.635 -9.818 -0.349 550 HE ARG 60 HE ARG 60 63.375 -8.647 1.731 551 1HH1 ARG 60 HH21 ARG 60 60.454 -10.186 1.909 552 2HH1 ARG 60 HH22 ARG 60 61.027 -11.609 2.713 553 1HH2 ARG 60 HH11 ARG 60 64.376 -10.824 2.291 554 2HH2 ARG 60 HH12 ARG 60 63.245 -11.970 2.929 555 H GLN 61 HN GLN 61 62.281 -8.676 -5.080 556 HA GLN 61 HA GLN 61 64.438 -10.525 -5.948 557 1HB GLN 61 HB2 GLN 61 62.095 -11.397 -5.651 558 2HB GLN 61 HB1 GLN 61 61.582 -10.325 -6.954 559 1HG GLN 61 HG2 GLN 61 62.002 -12.264 -8.157 560 2HG GLN 61 HG1 GLN 61 63.582 -11.484 -8.252 561 1HE2 GLN 61 HE22 GLN 61 63.132 -14.861 -5.984 562 2HE2 GLN 61 HE21 GLN 61 61.764 -14.051 -6.579 563 H LYS 62 HN LYS 62 65.268 -8.094 -6.427 564 HA LYS 62 HA LYS 62 64.384 -7.087 -9.035 565 1HB LYS 62 HB2 LYS 62 66.193 -5.418 -8.688 566 2HB LYS 62 HB1 LYS 62 65.090 -5.505 -7.316 567 1HG LYS 62 HG2 LYS 62 66.839 -5.923 -5.966 568 2HG LYS 62 HG1 LYS 62 67.119 -7.433 -6.830 569 1HD LYS 62 HD2 LYS 62 68.702 -6.460 -8.271 570 2HD LYS 62 HD1 LYS 62 68.129 -4.823 -7.945 571 1HE LYS 62 HE2 LYS 62 68.856 -5.385 -5.472 572 2HE LYS 62 HE1 LYS 62 69.877 -6.587 -6.261 573 1HZ LYS 62 HZ1 LYS 62 69.824 -3.711 -6.990 574 2HZ LYS 62 HZ3 LYS 62 70.962 -4.404 -5.940 575 3HZ LYS 62 HZ2 LYS 62 70.900 -4.893 -7.566 576 H GLY 63 HN GLY 63 66.880 -9.184 -7.772 577 1HA GLY 63 HA2 GLY 63 67.657 -10.691 -9.776 578 2HA GLY 63 HA1 GLY 63 68.293 -9.165 -10.392 579 H LYS 64 HN LYS 64 68.264 -10.738 -7.177 580 HA LYS 64 HA LYS 64 71.141 -10.017 -6.900 581 1HB LYS 64 HB2 LYS 64 68.864 -10.186 -5.073 582 2HB LYS 64 HB1 LYS 64 70.250 -11.090 -4.466 583 1HG LYS 64 HG2 LYS 64 71.581 -9.204 -4.289 584 2HG LYS 64 HG1 LYS 64 70.732 -8.356 -5.582 585 1HD LYS 64 HD2 LYS 64 69.819 -7.203 -3.826 586 2HD LYS 64 HD1 LYS 64 68.716 -8.578 -3.794 587 1HE LYS 64 HE2 LYS 64 71.283 -8.428 -2.189 588 2HE LYS 64 HE1 LYS 64 69.691 -8.031 -1.546 589 1HZ LYS 64 HZ1 LYS 64 68.997 -10.309 -2.286 590 2HZ LYS 64 HZ3 LYS 64 70.636 -10.648 -2.560 591 3HZ LYS 64 HZ2 LYS 64 70.100 -10.268 -0.994 592 NH1 ARG 65 NH1 ARG 65 66.181 -17.836 -6.672 593 NH2 ARG 65 NH2 ARG 65 65.223 -17.681 -8.716 594 H ARG 65 HN ARG 65 70.348 -12.213 -8.597 595 HA ARG 65 HA ARG 65 71.971 -14.325 -7.371 596 1HB ARG 65 HB2 ARG 65 70.173 -16.075 -7.838 597 2HB ARG 65 HB1 ARG 65 69.875 -15.029 -6.450 598 1HG ARG 65 HG2 ARG 65 68.509 -13.547 -8.003 599 2HG ARG 65 HG1 ARG 65 68.637 -14.830 -9.207 600 1HD ARG 65 HD2 ARG 65 67.761 -15.646 -6.484 601 2HD ARG 65 HD1 ARG 65 66.610 -14.708 -7.436 602 HE ARG 65 HE ARG 65 67.645 -16.775 -9.095 603 1HH1 ARG 65 HH11 ARG 65 66.916 -17.590 -6.040 604 2HH1 ARG 65 HH12 ARG 65 65.446 -18.443 -6.372 605 1HH2 ARG 65 HH21 ARG 65 65.225 -17.318 -9.647 606 2HH2 ARG 65 HH22 ARG 65 64.486 -18.289 -8.418 607 H SER 66 HN SER 66 73.221 -13.565 -9.265 608 HA SER 66 HA SER 66 72.410 -15.061 -11.706 609 1HB SER 66 HB2 SER 66 71.749 -12.825 -12.263 610 2HB SER 66 HB1 SER 66 73.226 -12.148 -11.581 611 HG SER 66 HG SER 66 73.297 -12.332 -13.875 612 H SER 67 HN SER 67 74.213 -15.757 -12.977 613 HA SER 67 HA SER 67 76.847 -15.507 -11.577 614 1HB SER 67 HB2 SER 67 77.313 -17.705 -12.890 615 2HB SER 67 HB1 SER 67 76.291 -17.789 -11.459 616 HG SER 67 HG SER 67 74.564 -18.088 -12.694 Start of MODEL 12 Raw file had 616 H/Q atoms Start of MODEL 12 1 1H MET 1 HT3 MET 1 48.014 9.297 19.507 2 2H MET 1 HT2 MET 1 49.241 8.871 20.603 3 3H MET 1 HT1 MET 1 47.826 9.630 21.160 4 HA MET 1 HA MET 1 48.420 11.685 20.364 5 1HB MET 1 HB2 MET 1 50.944 10.186 21.110 6 2HB MET 1 HB1 MET 1 50.891 11.936 20.894 7 1HG MET 1 HG2 MET 1 48.790 11.677 22.541 8 2HG MET 1 HG1 MET 1 49.699 10.255 23.051 9 1HE MET 1 HE1 MET 1 49.028 13.750 23.160 10 2HE MET 1 HE3 MET 1 50.414 14.613 23.842 11 3HE MET 1 HE2 MET 1 50.403 14.164 22.139 12 H GLU 2 HN GLU 2 50.542 9.241 18.842 13 HA GLU 2 HA GLU 2 50.445 10.883 16.349 14 1HB GLU 2 HB2 GLU 2 52.863 9.491 17.539 15 2HB GLU 2 HB1 GLU 2 52.815 10.191 15.920 16 1HG GLU 2 HG2 GLU 2 51.885 12.285 17.406 17 2HG GLU 2 HG1 GLU 2 52.995 11.533 18.553 18 H THR 3 HN THR 3 48.938 8.473 17.266 19 HA THR 3 HA THR 3 50.001 6.346 15.493 20 HB THR 3 HB THR 3 47.449 6.212 17.100 21 HG1 THR 3 HG1 THR 3 48.697 5.487 18.812 22 1HG2 THR 3 HG23 THR 3 49.359 4.291 15.816 23 2HG2 THR 3 HG22 THR 3 48.438 3.772 17.228 24 3HG2 THR 3 HG21 THR 3 47.597 4.308 15.773 25 H LEU 4 HN LEU 4 49.272 6.162 13.439 26 HA LEU 4 HA LEU 4 47.090 7.882 12.509 27 1HB LEU 4 HB2 LEU 4 49.314 6.420 11.326 28 2HB LEU 4 HB1 LEU 4 47.828 6.137 10.425 29 HG LEU 4 HG LEU 4 49.058 8.108 9.566 30 1HD1 LEU 4 HD12 LEU 4 46.519 7.945 9.571 31 2HD1 LEU 4 HD11 LEU 4 46.537 9.003 10.981 32 3HD1 LEU 4 HD13 LEU 4 47.174 9.577 9.440 33 1HD2 LEU 4 HD21 LEU 4 49.898 8.655 11.990 34 2HD2 LEU 4 HD23 LEU 4 49.568 9.985 10.878 35 3HD2 LEU 4 HD22 LEU 4 48.389 9.559 12.118 36 H VAL 5 HN VAL 5 45.028 7.222 12.827 37 HA VAL 5 HA VAL 5 44.430 4.299 12.749 38 HB VAL 5 HB VAL 5 42.650 6.540 13.751 39 1HG1 VAL 5 HG13 VAL 5 42.553 3.543 13.726 40 2HG1 VAL 5 HG12 VAL 5 41.814 4.407 15.075 41 3HG1 VAL 5 HG11 VAL 5 41.259 4.705 13.427 42 1HG2 VAL 5 HG21 VAL 5 44.813 6.369 15.022 43 2HG2 VAL 5 HG23 VAL 5 43.398 5.967 15.996 44 3HG2 VAL 5 HG22 VAL 5 44.427 4.682 15.364 45 H GLN 6 HN GLN 6 44.819 6.059 10.366 46 HA GLN 6 HA GLN 6 42.124 5.642 9.139 47 1HB GLN 6 HB2 GLN 6 44.014 7.985 8.871 48 2HB GLN 6 HB1 GLN 6 42.800 7.635 7.640 49 1HG GLN 6 HG2 GLN 6 41.023 7.755 9.345 50 2HG GLN 6 HG1 GLN 6 42.231 8.087 10.586 51 1HE2 GLN 6 HE22 GLN 6 41.277 11.474 9.824 52 2HE2 GLN 6 HE21 GLN 6 40.912 10.171 10.849 53 H ALA 7 HN ALA 7 44.417 3.848 9.185 54 HA ALA 7 HA ALA 7 45.724 4.041 6.589 55 1HB ALA 7 HB1 ALA 7 46.736 3.023 8.708 56 2HB ALA 7 HB3 ALA 7 45.686 1.636 8.416 57 3HB ALA 7 HB2 ALA 7 46.915 2.077 7.230 58 NH1 ARG 8 NH2 ARG 8 41.097 7.138 2.379 59 NH2 ARG 8 NH1 ARG 8 39.343 7.870 3.602 60 H ARG 8 HN ARG 8 43.776 4.027 5.231 61 HA ARG 8 HA ARG 8 42.060 1.674 5.244 62 1HB ARG 8 HB2 ARG 8 42.242 4.192 3.631 63 2HB ARG 8 HB1 ARG 8 41.321 2.833 2.988 64 1HG ARG 8 HG2 ARG 8 39.614 3.205 4.416 65 2HG ARG 8 HG1 ARG 8 40.702 3.276 5.802 66 1HD ARG 8 HD2 ARG 8 39.637 5.426 5.639 67 2HD ARG 8 HD1 ARG 8 41.298 5.633 5.082 68 HE ARG 8 HE ARG 8 39.322 5.074 2.971 69 1HH1 ARG 8 HH21 ARG 8 41.672 6.388 2.052 70 2HH1 ARG 8 HH22 ARG 8 41.289 8.077 2.093 71 1HH2 ARG 8 HH11 ARG 8 38.574 7.681 4.213 72 2HH2 ARG 8 HH12 ARG 8 39.535 8.809 3.316 73 H LYS 9 HN LYS 9 41.783 0.405 3.151 74 HA LYS 9 HA LYS 9 44.452 -0.301 2.113 75 1HB LYS 9 HB2 LYS 9 42.669 -1.978 3.063 76 2HB LYS 9 HB1 LYS 9 41.952 -1.825 1.459 77 1HG LYS 9 HG2 LYS 9 44.293 -2.319 0.533 78 2HG LYS 9 HG1 LYS 9 44.717 -2.812 2.174 79 1HD LYS 9 HD2 LYS 9 44.030 -4.833 1.202 80 2HD LYS 9 HD1 LYS 9 42.566 -4.287 2.021 81 1HE LYS 9 HE2 LYS 9 41.821 -3.235 -0.126 82 2HE LYS 9 HE1 LYS 9 43.226 -3.945 -0.919 83 1HZ LYS 9 HZ1 LYS 9 41.422 -5.660 0.644 84 2HZ LYS 9 HZ3 LYS 9 40.972 -5.194 -0.923 85 3HZ LYS 9 HZ2 LYS 9 42.413 -6.060 -0.677 86 NH1 ARG 10 NH1 ARG 10 38.038 3.897 -2.424 87 NH2 ARG 10 NH2 ARG 10 36.737 2.128 -2.957 88 H ARG 10 HN ARG 10 43.277 2.125 1.167 89 HA ARG 10 HA ARG 10 43.380 1.619 -1.691 90 1HB ARG 10 HB2 ARG 10 40.811 1.879 -0.323 91 2HB ARG 10 HB1 ARG 10 41.018 3.123 -1.555 92 1HG ARG 10 HG2 ARG 10 41.447 1.467 -3.256 93 2HG ARG 10 HG1 ARG 10 41.500 0.175 -2.055 94 1HD ARG 10 HD2 ARG 10 39.323 -0.019 -2.903 95 2HD ARG 10 HD1 ARG 10 39.081 0.971 -1.463 96 HE ARG 10 HE ARG 10 39.393 2.253 -4.143 97 1HH1 ARG 10 HH11 ARG 10 38.941 4.324 -2.373 98 2HH1 ARG 10 HH12 ARG 10 37.230 4.400 -2.119 99 1HH2 ARG 10 HH21 ARG 10 36.642 1.199 -3.314 100 2HH2 ARG 10 HH22 ARG 10 35.928 2.631 -2.652 101 H LYS 11 HN LYS 11 44.890 3.142 0.250 102 HA LYS 11 HA LYS 11 44.169 5.944 -0.123 103 1HB LYS 11 HB2 LYS 11 45.338 4.842 1.932 104 2HB LYS 11 HB1 LYS 11 46.806 5.007 0.966 105 1HG LYS 11 HG2 LYS 11 46.609 7.368 0.866 106 2HG LYS 11 HG1 LYS 11 44.929 7.330 1.404 107 1HD LYS 11 HD2 LYS 11 45.821 6.290 3.578 108 2HD LYS 11 HD1 LYS 11 47.419 6.798 3.030 109 1HE LYS 11 HE2 LYS 11 46.627 9.125 2.852 110 2HE LYS 11 HE1 LYS 11 45.025 8.623 3.393 111 1HZ LYS 11 HZ3 LYS 11 47.509 8.233 4.966 112 2HZ LYS 11 HZ2 LYS 11 46.443 9.538 5.179 113 3HZ LYS 11 HZ1 LYS 11 45.919 7.951 5.484 114 NH1 ARG 12 NH1 ARG 12 43.759 3.248 -8.018 115 NH2 ARG 12 NH2 ARG 12 45.762 2.558 -8.808 116 H ARG 12 HN ARG 12 44.424 6.566 -2.250 117 HA ARG 12 HA ARG 12 47.098 6.070 -3.510 118 1HB ARG 12 HB2 ARG 12 44.883 5.280 -4.634 119 2HB ARG 12 HB1 ARG 12 44.652 6.988 -5.012 120 1HG ARG 12 HG2 ARG 12 46.727 7.076 -6.234 121 2HG ARG 12 HG1 ARG 12 47.180 5.461 -5.688 122 1HD ARG 12 HD2 ARG 12 44.602 5.819 -7.176 123 2HD ARG 12 HD1 ARG 12 46.115 5.797 -8.080 124 HE ARG 12 HE ARG 12 46.147 3.570 -6.328 125 1HH1 ARG 12 HH11 ARG 12 43.224 3.793 -7.373 126 2HH1 ARG 12 HH12 ARG 12 43.296 2.687 -8.704 127 1HH2 ARG 12 HH21 ARG 12 46.761 2.573 -8.768 128 2HH2 ARG 12 HH22 ARG 12 45.298 1.997 -9.494 129 H THR 13 HN THR 13 45.548 8.423 -1.785 130 HA THR 13 HA THR 13 46.174 10.721 -3.467 131 HB THR 13 HB THR 13 45.708 11.963 -1.280 132 HG1 THR 13 HG1 THR 13 45.512 10.803 0.436 133 1HG2 THR 13 HG21 THR 13 44.014 11.519 -3.078 134 2HG2 THR 13 HG23 THR 13 43.550 10.055 -2.208 135 3HG2 THR 13 HG22 THR 13 43.316 11.635 -1.462 136 H SER 14 HN SER 14 47.756 8.785 -1.008 137 HA SER 14 HA SER 14 50.146 10.541 -1.281 138 1HB SER 14 HB2 SER 14 49.277 10.814 0.977 139 2HB SER 14 HB1 SER 14 49.190 9.068 1.188 140 HG SER 14 HG SER 14 51.565 10.532 0.646 141 H ILE 15 HN ILE 15 49.210 8.023 -2.645 142 HA ILE 15 HA ILE 15 51.795 6.675 -2.532 143 HB ILE 15 HB ILE 15 49.221 5.203 -1.852 144 1HG1 ILE 15 HG12 ILE 15 50.446 6.282 0.035 145 2HG1 ILE 15 HG11 ILE 15 50.431 4.528 0.167 146 1HG2 ILE 15 HG22 ILE 15 51.425 4.193 -3.378 147 2HG2 ILE 15 HG21 ILE 15 51.513 3.455 -1.783 148 3HG2 ILE 15 HG23 ILE 15 50.047 3.296 -2.749 149 1HD1 ILE 15 HD12 ILE 15 52.710 4.490 -0.919 150 2HD1 ILE 15 HD11 ILE 15 52.726 6.249 -0.828 151 3HD1 ILE 15 HD13 ILE 15 52.687 5.290 0.648 152 H GLU 16 HN GLU 16 51.109 8.165 -4.531 153 HA GLU 16 HA GLU 16 49.541 6.827 -6.566 154 1HB GLU 16 HB2 GLU 16 50.961 9.376 -6.259 155 2HB GLU 16 HB1 GLU 16 51.124 8.698 -7.879 156 1HG GLU 16 HG2 GLU 16 48.690 8.498 -8.073 157 2HG GLU 16 HG1 GLU 16 48.490 9.095 -6.425 158 H ASN 17 HN ASN 17 50.943 6.785 -8.850 159 HA ASN 17 HA ASN 17 52.642 4.501 -8.587 160 1HB ASN 17 HB2 ASN 17 51.864 6.358 -10.783 161 2HB ASN 17 HB1 ASN 17 53.344 5.428 -11.020 162 1HD2 ASN 17 HD22 ASN 17 51.650 2.282 -11.218 163 2HD2 ASN 17 HD21 ASN 17 53.144 3.016 -10.884 164 NH1 ARG 18 NH1 ARG 18 53.144 12.079 -10.113 165 NH2 ARG 18 NH2 ARG 18 53.219 14.077 -9.057 166 H ARG 18 HN ARG 18 53.262 7.935 -8.467 167 HA ARG 18 HA ARG 18 56.120 7.741 -8.914 168 1HB ARG 18 HB2 ARG 18 56.161 10.065 -7.987 169 2HB ARG 18 HB1 ARG 18 54.990 9.872 -9.292 170 1HG ARG 18 HG2 ARG 18 53.157 9.763 -7.752 171 2HG ARG 18 HG1 ARG 18 54.242 9.591 -6.373 172 1HD ARG 18 HD2 ARG 18 54.131 11.831 -6.133 173 2HD ARG 18 HD1 ARG 18 55.058 11.968 -7.627 174 HE ARG 18 HE ARG 18 52.084 12.119 -7.444 175 1HH1 ARG 18 HH11 ARG 18 53.058 11.083 -10.078 176 2HH1 ARG 18 HH12 ARG 18 53.258 12.540 -10.994 177 1HH2 ARG 18 HH21 ARG 18 53.190 14.611 -8.213 178 2HH2 ARG 18 HH22 ARG 18 53.332 14.538 -9.937 179 H VAL 19 HN VAL 19 54.002 7.409 -6.129 180 HA VAL 19 HA VAL 19 56.017 7.757 -4.118 181 HB VAL 19 HB VAL 19 53.323 7.448 -3.955 182 1HG1 VAL 19 HG12 VAL 19 54.465 4.718 -3.213 183 2HG1 VAL 19 HG11 VAL 19 52.904 5.291 -2.712 184 3HG1 VAL 19 HG13 VAL 19 53.220 5.052 -4.413 185 1HG2 VAL 19 HG23 VAL 19 55.316 8.049 -2.268 186 2HG2 VAL 19 HG22 VAL 19 53.677 7.747 -1.696 187 3HG2 VAL 19 HG21 VAL 19 54.891 6.470 -1.609 188 NH1 ARG 20 NH2 ARG 20 53.999 0.070 -9.316 189 NH2 ARG 20 NH1 ARG 20 51.773 0.127 -8.924 190 H ARG 20 HN ARG 20 54.713 4.868 -5.672 191 HA ARG 20 HA ARG 20 56.326 2.949 -4.398 192 1HB ARG 20 HB2 ARG 20 55.011 3.055 -7.098 193 2HB ARG 20 HB1 ARG 20 56.028 1.682 -6.659 194 1HG ARG 20 HG2 ARG 20 54.639 1.459 -4.550 195 2HG ARG 20 HG1 ARG 20 53.534 2.647 -5.242 196 1HD ARG 20 HD2 ARG 20 54.271 -0.044 -6.427 197 2HD ARG 20 HD1 ARG 20 52.703 0.424 -5.767 198 HE ARG 20 HE ARG 20 53.069 2.284 -7.741 199 1HH1 ARG 20 HH21 ARG 20 54.927 0.359 -9.082 200 2HH1 ARG 20 HH22 ARG 20 53.848 -0.553 -10.083 201 1HH2 ARG 20 HH11 ARG 20 50.996 0.460 -8.388 202 2HH2 ARG 20 HH12 ARG 20 51.621 -0.496 -9.691 203 CH2 TRP 21 CH2 TRP 21 58.070 -0.621 -9.608 204 H TRP 21 HN TRP 21 56.985 4.610 -7.495 205 HA TRP 21 HA TRP 21 59.598 3.374 -7.571 206 1HB TRP 21 HB2 TRP 21 58.040 5.102 -9.367 207 2HB TRP 21 HB1 TRP 21 59.775 5.455 -9.384 208 HD1 TRP 21 HD1 TRP 21 60.678 4.128 -11.436 209 HE1 TRP 21 HE1 TRP 21 60.654 1.636 -12.120 210 HE3 TRP 21 HE3 TRP 21 57.377 2.272 -8.011 211 HZ2 TRP 21 HZ2 TRP 21 59.405 -0.824 -11.276 212 HZ3 TRP 21 HZ3 TRP 21 56.811 -0.100 -7.931 213 HH2 TRP 21 HH2 TRP 21 57.825 -1.672 -9.574 214 H SER 22 HN SER 22 58.335 5.957 -5.809 215 HA SER 22 HA SER 22 60.772 7.496 -5.513 216 1HB SER 22 HB2 SER 22 58.080 7.641 -4.525 217 2HB SER 22 HB1 SER 22 59.158 7.586 -3.133 218 HG SER 22 HG SER 22 59.633 9.575 -3.573 219 H LEU 23 HN LEU 23 59.171 4.732 -3.975 220 HA LEU 23 HA LEU 23 60.981 4.221 -1.824 221 1HB LEU 23 HB2 LEU 23 59.550 2.212 -3.610 222 2HB LEU 23 HB1 LEU 23 60.280 1.838 -2.072 223 HG LEU 23 HG LEU 23 58.228 3.998 -2.114 224 1HD1 LEU 23 HD13 LEU 23 57.599 1.735 -3.455 225 2HD1 LEU 23 HD12 LEU 23 57.277 1.181 -1.813 226 3HD1 LEU 23 HD11 LEU 23 56.426 2.587 -2.451 227 1HD2 LEU 23 HD23 LEU 23 59.151 1.795 -0.249 228 2HD2 LEU 23 HD22 LEU 23 59.218 3.538 0.013 229 3HD2 LEU 23 HD21 LEU 23 57.667 2.700 0.051 230 H GLU 24 HN GLU 24 60.933 3.306 -5.226 231 HA GLU 24 HA GLU 24 63.217 1.658 -5.386 232 1HB GLU 24 HB2 GLU 24 61.476 2.485 -7.205 233 2HB GLU 24 HB1 GLU 24 62.736 3.671 -7.546 234 1HG GLU 24 HG2 GLU 24 64.290 1.505 -7.453 235 2HG GLU 24 HG1 GLU 24 62.781 0.705 -7.893 236 H THR 25 HN THR 25 63.147 5.207 -5.917 237 HA THR 25 HA THR 25 65.948 5.513 -6.261 238 HB THR 25 HB THR 25 64.428 7.680 -4.876 239 HG1 THR 25 HG1 THR 25 63.323 8.120 -6.790 240 1HG2 THR 25 HG23 THR 25 66.805 7.794 -5.857 241 2HG2 THR 25 HG22 THR 25 66.022 7.761 -7.437 242 3HG2 THR 25 HG21 THR 25 65.687 9.079 -6.314 243 H MET 26 HN MET 26 64.031 5.172 -3.344 244 HA MET 26 HA MET 26 66.163 6.093 -1.567 245 1HB MET 26 HB2 MET 26 63.555 4.638 -1.080 246 2HB MET 26 HB1 MET 26 64.651 5.116 0.216 247 1HG MET 26 HG2 MET 26 64.511 7.481 -0.646 248 2HG MET 26 HG1 MET 26 63.256 6.940 -1.760 249 1HE MET 26 HE1 MET 26 64.627 7.371 1.493 250 2HE MET 26 HE3 MET 26 63.413 8.555 1.995 251 3HE MET 26 HE2 MET 26 63.430 6.948 2.715 252 H PHE 27 HN PHE 27 65.153 2.997 -2.891 253 HA PHE 27 HA PHE 27 66.905 1.515 -1.041 254 1HB PHE 27 HB2 PHE 27 64.888 0.717 -3.138 255 2HB PHE 27 HB1 PHE 27 66.041 -0.451 -2.507 256 HD1 PHE 27 HD1 PHE 27 66.253 -0.607 0.096 257 HD2 PHE 27 HD2 PHE 27 62.915 1.160 -1.943 258 HE1 PHE 27 HE1 PHE 27 64.864 -0.873 2.134 259 HE2 PHE 27 HE2 PHE 27 61.525 0.891 0.088 260 HZ PHE 27 HZ PHE 27 62.498 -0.121 2.128 261 H LEU 28 HN LEU 28 67.189 2.972 -4.136 262 HA LEU 28 HA LEU 28 69.245 1.065 -5.041 263 1HB LEU 28 HB2 LEU 28 68.102 3.553 -6.331 264 2HB LEU 28 HB1 LEU 28 69.302 2.498 -7.081 265 HG LEU 28 HG LEU 28 66.579 1.585 -6.106 266 1HD1 LEU 28 HD11 LEU 28 67.556 2.626 -8.718 267 2HD1 LEU 28 HD13 LEU 28 66.488 1.222 -8.766 268 3HD1 LEU 28 HD12 LEU 28 65.947 2.716 -8.000 269 1HD2 LEU 28 HD21 LEU 28 68.938 0.230 -7.378 270 2HD2 LEU 28 HD23 LEU 28 67.919 -0.321 -6.048 271 3HD2 LEU 28 HD22 LEU 28 67.312 -0.374 -7.703 272 H LYS 29 HN LYS 29 69.627 2.953 -2.666 273 HA LYS 29 HA LYS 29 72.022 4.417 -3.685 274 1HB LYS 29 HB2 LYS 29 71.905 5.760 -1.643 275 2HB LYS 29 HB1 LYS 29 70.334 5.782 -2.438 276 1HG LYS 29 HG2 LYS 29 69.702 3.823 -0.892 277 2HG LYS 29 HG1 LYS 29 71.158 4.218 0.019 278 1HD LYS 29 HD2 LYS 29 70.002 6.694 -0.256 279 2HD LYS 29 HD1 LYS 29 68.583 5.655 -0.128 280 1HE LYS 29 HE2 LYS 29 70.866 5.283 1.789 281 2HE LYS 29 HE1 LYS 29 69.705 6.583 2.058 282 1HZ LYS 29 HZ1 LYS 29 67.988 4.707 1.659 283 2HZ LYS 29 HZ3 LYS 29 69.273 3.676 2.061 284 3HZ LYS 29 HZ2 LYS 29 68.743 4.845 3.174 285 H CYS 30 HN CYS 30 70.848 2.183 -1.235 286 HA CYS 30 HA CYS 30 73.574 1.078 -0.969 287 1HB CYS 30 HB2 CYS 30 71.768 1.799 1.360 288 2HB CYS 30 HB1 CYS 30 73.303 0.942 1.489 289 HG CYS 30 HG CYS 30 74.299 3.209 1.631 290 HA PRO 31 HA PRO 31 70.863 -2.510 -1.307 291 1HB PRO 31 HB2 PRO 31 72.827 -4.406 -1.446 292 2HB PRO 31 HB1 PRO 31 72.416 -3.354 -2.812 293 1HG PRO 31 HG2 PRO 31 74.801 -3.272 -1.039 294 2HG PRO 31 HG1 PRO 31 74.610 -2.658 -2.689 295 1HD PRO 31 HD2 PRO 31 74.528 -1.132 -0.268 296 2HD PRO 31 HD1 PRO 31 74.174 -0.552 -1.909 297 H LYS 32 HN LYS 32 71.994 -1.448 1.438 298 HA LYS 32 HA LYS 32 71.884 -4.066 2.833 299 1HB LYS 32 HB2 LYS 32 73.325 -3.012 4.567 300 2HB LYS 32 HB1 LYS 32 74.101 -3.080 2.983 301 1HG LYS 32 HG2 LYS 32 74.068 -0.808 2.721 302 2HG LYS 32 HG1 LYS 32 72.493 -0.640 3.499 303 1HD LYS 32 HD2 LYS 32 73.417 -0.648 5.660 304 2HD LYS 32 HD1 LYS 32 74.920 -1.394 5.116 305 1HE LYS 32 HE2 LYS 32 75.100 0.817 3.662 306 2HE LYS 32 HE1 LYS 32 74.039 1.460 4.915 307 1HZ LYS 32 HZ2 LYS 32 76.434 -0.071 5.674 308 2HZ LYS 32 HZ1 LYS 32 76.591 1.560 5.223 309 3HZ LYS 32 HZ3 LYS 32 75.609 1.136 6.540 310 HA PRO 33 HA PRO 33 68.670 -1.047 4.598 311 1HB PRO 33 HB2 PRO 33 66.363 -2.088 3.535 312 2HB PRO 33 HB1 PRO 33 67.266 -0.760 2.785 313 1HG PRO 33 HG2 PRO 33 67.125 -3.630 1.978 314 2HG PRO 33 HG1 PRO 33 67.398 -2.193 0.978 315 1HD PRO 33 HD2 PRO 33 69.403 -3.980 1.830 316 2HD PRO 33 HD1 PRO 33 69.665 -2.338 1.203 317 H SER 34 HN SER 34 67.992 -1.714 6.617 318 HA SER 34 HA SER 34 67.971 -4.568 7.271 319 1HB SER 34 HB2 SER 34 67.928 -2.010 8.777 320 2HB SER 34 HB1 SER 34 67.169 -3.399 9.551 321 HG SER 34 HG SER 34 69.820 -3.191 8.551 322 H LEU 35 HN LEU 35 66.117 -5.709 8.048 323 HA LEU 35 HA LEU 35 63.644 -5.004 6.789 324 1HB LEU 35 HB2 LEU 35 62.698 -6.906 7.852 325 2HB LEU 35 HB1 LEU 35 64.387 -7.336 7.615 326 HG LEU 35 HG LEU 35 63.335 -6.160 10.196 327 1HD1 LEU 35 HD13 LEU 35 63.754 -9.068 9.449 328 2HD1 LEU 35 HD12 LEU 35 63.369 -8.478 11.066 329 3HD1 LEU 35 HD11 LEU 35 62.200 -8.295 9.758 330 1HD2 LEU 35 HD22 LEU 35 65.891 -7.558 9.364 331 2HD2 LEU 35 HD21 LEU 35 65.720 -5.918 9.990 332 3HD2 LEU 35 HD23 LEU 35 65.448 -7.300 11.052 333 H GLN 36 HN GLN 36 65.164 -4.013 9.746 334 HA GLN 36 HA GLN 36 62.746 -3.027 11.063 335 1HB GLN 36 HB2 GLN 36 65.187 -3.458 12.043 336 2HB GLN 36 HB1 GLN 36 65.444 -1.790 11.526 337 1HG GLN 36 HG2 GLN 36 63.513 -1.055 12.841 338 2HG GLN 36 HG1 GLN 36 63.183 -2.720 13.321 339 1HE2 GLN 36 HE22 GLN 36 66.315 -0.711 15.049 340 2HE2 GLN 36 HE21 GLN 36 65.612 -0.107 13.627 341 H GLN 37 HN GLN 37 65.251 -1.775 8.933 342 HA GLN 37 HA GLN 37 64.291 0.924 8.779 343 1HB GLN 37 HB2 GLN 37 66.548 0.060 7.962 344 2HB GLN 37 HB1 GLN 37 65.692 -0.612 6.575 345 1HG GLN 37 HG2 GLN 37 64.896 1.597 5.936 346 2HG GLN 37 HG1 GLN 37 65.614 2.308 7.381 347 1HE2 GLN 37 HE22 GLN 37 67.919 1.651 4.120 348 2HE2 GLN 37 HE21 GLN 37 66.252 1.328 4.116 349 H ILE 38 HN ILE 38 63.224 -2.119 7.392 350 HA ILE 38 HA ILE 38 61.642 -0.941 5.272 351 HB ILE 38 HB ILE 38 61.714 -3.692 6.553 352 1HG1 ILE 38 HG12 ILE 38 63.431 -3.118 4.875 353 2HG1 ILE 38 HG11 ILE 38 62.337 -4.348 4.246 354 1HG2 ILE 38 HG22 ILE 38 59.552 -2.496 4.844 355 2HG2 ILE 38 HG21 ILE 38 60.057 -4.145 4.475 356 3HG2 ILE 38 HG23 ILE 38 59.437 -3.751 6.079 357 1HD1 ILE 38 HD11 ILE 38 61.194 -1.825 3.577 358 2HD1 ILE 38 HD13 ILE 38 62.907 -1.740 3.166 359 3HD1 ILE 38 HD12 ILE 38 61.898 -3.011 2.480 360 H THR 39 HN THR 39 61.183 -1.772 8.644 361 HA THR 39 HA THR 39 58.345 -1.317 8.772 362 HB THR 39 HB THR 39 60.242 -0.661 11.031 363 HG1 THR 39 HG1 THR 39 59.427 -3.221 10.122 364 1HG2 THR 39 HG23 THR 39 57.816 -0.294 11.337 365 2HG2 THR 39 HG22 THR 39 57.514 -1.979 10.914 366 3HG2 THR 39 HG21 THR 39 58.407 -1.585 12.383 367 H HIS 40 HN HIS 40 61.192 0.739 9.008 368 HA HIS 40 HA HIS 40 59.750 3.201 9.581 369 1HB HIS 40 HB2 HIS 40 62.541 2.481 8.746 370 2HB HIS 40 HB1 HIS 40 62.009 4.154 8.578 371 HD1 HIS 40 HD1 HIS 40 63.017 1.622 11.096 372 HD2 HIS 40 HD2 HIS 40 61.284 5.414 11.095 373 HE1 HIS 40 HE1 HIS 40 63.151 2.472 13.479 374 H ILE 41 HN ILE 41 60.494 1.365 6.714 375 HA ILE 41 HA ILE 41 60.115 3.497 4.811 376 HB ILE 41 HB ILE 41 60.578 0.597 4.785 377 1HG1 ILE 41 HG12 ILE 41 61.422 1.614 2.365 378 2HG1 ILE 41 HG11 ILE 41 61.448 3.043 3.396 379 1HG2 ILE 41 HG22 ILE 41 58.645 1.746 2.781 380 2HG2 ILE 41 HG21 ILE 41 59.709 0.405 2.355 381 3HG2 ILE 41 HG23 ILE 41 58.541 0.224 3.664 382 1HD1 ILE 41 HD12 ILE 41 62.665 0.446 4.326 383 2HD1 ILE 41 HD11 ILE 41 63.576 1.559 3.309 384 3HD1 ILE 41 HD13 ILE 41 63.000 2.081 4.892 385 H ALA 42 HN ALA 42 58.001 1.019 6.231 386 HA ALA 42 HA ALA 42 55.658 1.696 4.777 387 1HB ALA 42 HB2 ALA 42 56.235 -0.324 6.429 388 2HB ALA 42 HB1 ALA 42 55.408 0.722 7.583 389 3HB ALA 42 HB3 ALA 42 54.569 0.174 6.132 390 H ASN 43 HN ASN 43 56.681 2.638 8.049 391 HA ASN 43 HA ASN 43 54.580 4.539 8.451 392 1HB ASN 43 HB2 ASN 43 56.511 3.545 10.052 393 2HB ASN 43 HB1 ASN 43 57.257 5.087 9.632 394 1HD2 ASN 43 HD22 ASN 43 53.786 5.087 11.834 395 2HD2 ASN 43 HD21 ASN 43 54.198 3.711 10.929 396 H GLN 44 HN GLN 44 57.424 4.560 6.477 397 HA GLN 44 HA GLN 44 57.778 7.411 6.348 398 1HB GLN 44 HB2 GLN 44 58.981 5.030 5.194 399 2HB GLN 44 HB1 GLN 44 58.889 6.351 4.037 400 1HG GLN 44 HG2 GLN 44 60.028 6.609 6.834 401 2HG GLN 44 HG1 GLN 44 61.006 6.326 5.394 402 1HE2 GLN 44 HE22 GLN 44 60.012 10.077 6.266 403 2HE2 GLN 44 HE21 GLN 44 59.968 8.791 7.374 404 H LEU 45 HN LEU 45 55.877 5.084 4.460 405 HA LEU 45 HA LEU 45 54.778 7.450 2.995 406 1HB LEU 45 HB2 LEU 45 54.612 6.243 0.963 407 2HB LEU 45 HB1 LEU 45 56.216 5.894 1.589 408 HG LEU 45 HG LEU 45 53.894 4.057 2.141 409 1HD1 LEU 45 HD11 LEU 45 54.773 4.654 -0.422 410 2HD1 LEU 45 HD13 LEU 45 55.741 3.243 0.011 411 3HD1 LEU 45 HD12 LEU 45 53.981 3.158 0.064 412 1HD2 LEU 45 HD22 LEU 45 56.852 4.087 2.451 413 2HD2 LEU 45 HD21 LEU 45 55.619 3.359 3.480 414 3HD2 LEU 45 HD23 LEU 45 56.116 2.551 1.994 415 H GLY 46 HN GLY 46 53.891 5.681 5.418 416 1HA GLY 46 HA2 GLY 46 51.846 5.001 6.316 417 2HA GLY 46 HA1 GLY 46 51.133 6.138 5.181 418 H LEU 47 HN LEU 47 52.952 3.370 3.961 419 HA LEU 47 HA LEU 47 50.366 2.312 2.922 420 1HB LEU 47 HB2 LEU 47 51.418 1.538 1.041 421 2HB LEU 47 HB1 LEU 47 52.587 2.776 1.450 422 HG LEU 47 HG LEU 47 52.777 -0.185 2.025 423 1HD1 LEU 47 HD12 LEU 47 53.380 1.092 -0.271 424 2HD1 LEU 47 HD11 LEU 47 54.894 1.336 0.598 425 3HD1 LEU 47 HD13 LEU 47 54.298 -0.297 0.309 426 1HD2 LEU 47 HD22 LEU 47 54.111 2.088 3.288 427 2HD2 LEU 47 HD21 LEU 47 54.001 0.419 3.820 428 3HD2 LEU 47 HD23 LEU 47 55.229 0.894 2.652 429 H GLU 48 HN GLU 48 50.478 -0.227 2.657 430 HA GLU 48 HA GLU 48 50.922 -1.275 5.378 431 1HB GLU 48 HB2 GLU 48 48.854 -1.680 3.714 432 2HB GLU 48 HB1 GLU 48 49.883 -3.011 3.184 433 1HG GLU 48 HG2 GLU 48 49.925 -3.989 5.346 434 2HG GLU 48 HG1 GLU 48 49.308 -2.523 6.109 435 H LYS 49 HN LYS 49 52.256 -3.091 5.757 436 HA LYS 49 HA LYS 49 54.709 -3.181 4.323 437 1HB LYS 49 HB2 LYS 49 53.424 -5.016 6.339 438 2HB LYS 49 HB1 LYS 49 54.976 -5.418 5.605 439 1HG LYS 49 HG2 LYS 49 56.074 -3.904 6.875 440 2HG LYS 49 HG1 LYS 49 54.905 -2.638 6.502 441 1HD LYS 49 HD2 LYS 49 53.428 -3.367 8.249 442 2HD LYS 49 HD1 LYS 49 54.356 -4.845 8.502 443 1HE LYS 49 HE2 LYS 49 55.929 -2.358 8.753 444 2HE LYS 49 HE1 LYS 49 54.674 -2.558 9.974 445 1HZ LYS 49 HZ3 LYS 49 55.620 -4.948 10.109 446 2HZ LYS 49 HZ2 LYS 49 57.007 -4.256 9.414 447 3HZ LYS 49 HZ1 LYS 49 56.424 -3.684 10.905 448 H ASP 50 HN ASP 50 51.675 -4.658 3.576 449 HA ASP 50 HA ASP 50 52.741 -6.936 2.151 450 1HB ASP 50 HB2 ASP 50 50.048 -5.587 2.259 451 2HB ASP 50 HB1 ASP 50 50.367 -6.881 1.103 452 H VAL 51 HN VAL 51 51.928 -3.582 1.219 453 HA VAL 51 HA VAL 51 52.411 -4.267 -1.620 454 HB VAL 51 HB VAL 51 50.648 -2.641 -1.105 455 1HG1 VAL 51 HG12 VAL 51 52.761 -1.511 0.581 456 2HG1 VAL 51 HG11 VAL 51 51.922 -0.299 -0.385 457 3HG1 VAL 51 HG13 VAL 51 51.012 -1.344 0.705 458 1HG2 VAL 51 HG21 VAL 51 51.920 -2.402 -3.223 459 2HG2 VAL 51 HG23 VAL 51 51.361 -0.841 -2.621 460 3HG2 VAL 51 HG22 VAL 51 53.047 -1.315 -2.411 461 H VAL 52 HN VAL 52 54.102 -2.935 1.123 462 HA VAL 52 HA VAL 52 56.285 -1.818 -0.438 463 HB VAL 52 HB VAL 52 55.368 -1.468 2.138 464 1HG1 VAL 52 HG12 VAL 52 56.434 -3.605 2.870 465 2HG1 VAL 52 HG11 VAL 52 58.001 -2.917 2.444 466 3HG1 VAL 52 HG13 VAL 52 57.034 -2.182 3.722 467 1HG2 VAL 52 HG21 VAL 52 56.894 -0.073 0.562 468 2HG2 VAL 52 HG23 VAL 52 57.024 0.162 2.304 469 3HG2 VAL 52 HG22 VAL 52 58.219 -0.819 1.457 470 NH1 ARG 53 NH1 ARG 53 53.866 -9.553 2.795 471 NH2 ARG 53 NH2 ARG 53 54.987 -11.459 3.261 472 H ARG 53 HN ARG 53 55.459 -4.946 0.905 473 HA ARG 53 HA ARG 53 58.186 -6.004 0.636 474 1HB ARG 53 HB2 ARG 53 56.250 -6.744 2.282 475 2HB ARG 53 HB1 ARG 53 55.781 -7.768 0.925 476 1HG ARG 53 HG2 ARG 53 58.406 -8.299 0.926 477 2HG ARG 53 HG1 ARG 53 58.227 -7.878 2.629 478 1HD ARG 53 HD2 ARG 53 56.617 -9.969 1.135 479 2HD ARG 53 HD1 ARG 53 57.885 -10.287 2.317 480 HE ARG 53 HE ARG 53 56.284 -8.922 3.901 481 1HH1 ARG 53 HH11 ARG 53 53.864 -8.564 2.642 482 2HH1 ARG 53 HH12 ARG 53 53.011 -10.068 2.745 483 1HH2 ARG 53 HH21 ARG 53 55.844 -11.932 3.465 484 2HH2 ARG 53 HH22 ARG 53 54.131 -11.973 3.212 485 H VAL 54 HN VAL 54 55.073 -6.324 -1.084 486 HA VAL 54 HA VAL 54 55.977 -8.214 -3.036 487 HB VAL 54 HB VAL 54 53.885 -6.037 -3.376 488 1HG1 VAL 54 HG12 VAL 54 54.670 -7.220 -5.457 489 2HG1 VAL 54 HG11 VAL 54 54.141 -8.738 -4.731 490 3HG1 VAL 54 HG13 VAL 54 52.963 -7.477 -5.094 491 1HG2 VAL 54 HG23 VAL 54 53.813 -7.839 -1.395 492 2HG2 VAL 54 HG22 VAL 54 52.356 -7.379 -2.276 493 3HG2 VAL 54 HG21 VAL 54 53.206 -8.866 -2.693 494 CH2 TRP 55 CH2 TRP 55 61.590 0.233 -4.029 495 H TRP 55 HN TRP 55 55.961 -4.634 -3.079 496 HA TRP 55 HA TRP 55 57.137 -4.480 -5.705 497 1HB TRP 55 HB2 TRP 55 56.064 -2.487 -4.888 498 2HB TRP 55 HB1 TRP 55 57.034 -2.491 -3.416 499 HD1 TRP 55 HD1 TRP 55 57.448 -1.978 -7.241 500 HE1 TRP 55 HE1 TRP 55 59.543 -0.528 -7.621 501 HE3 TRP 55 HE3 TRP 55 59.196 -1.604 -2.450 502 HZ2 TRP 55 HZ2 TRP 55 61.646 0.623 -6.140 503 HZ3 TRP 55 HZ3 TRP 55 61.277 -0.346 -1.991 504 HH2 TRP 55 HH2 TRP 55 62.490 0.786 -3.817 505 H PHE 56 HN PHE 56 58.546 -4.453 -2.392 506 HA PHE 56 HA PHE 56 61.207 -4.321 -3.552 507 1HB PHE 56 HB2 PHE 56 60.327 -3.594 -1.091 508 2HB PHE 56 HB1 PHE 56 61.021 -5.177 -0.724 509 HD1 PHE 56 HD2 PHE 56 61.940 -2.483 -3.149 510 HD2 PHE 56 HD1 PHE 56 63.223 -4.929 0.123 511 HE1 PHE 56 HE2 PHE 56 64.194 -1.507 -3.329 512 HE2 PHE 56 HE1 PHE 56 65.504 -3.967 -0.071 513 HZ PHE 56 HZ PHE 56 65.974 -2.260 -1.819 514 H CYS 57 HN CYS 57 59.093 -6.810 -3.521 515 HA CYS 57 HA CYS 57 61.005 -8.927 -2.824 516 1HB CYS 57 HB2 CYS 57 58.168 -8.778 -3.715 517 2HB CYS 57 HB1 CYS 57 59.065 -10.186 -4.282 518 HG CYS 57 HG CYS 57 58.560 -9.507 -1.277 519 H ASN 58 HN ASN 58 59.728 -7.245 -5.635 520 HA ASN 58 HA ASN 58 61.417 -8.820 -7.474 521 1HB ASN 58 HB2 ASN 58 60.456 -7.344 -9.228 522 2HB ASN 58 HB1 ASN 58 59.201 -8.123 -8.267 523 1HD2 ASN 58 HD22 ASN 58 57.769 -5.008 -7.513 524 2HD2 ASN 58 HD21 ASN 58 57.549 -6.649 -7.885 525 NH1 ARG 59 NH2 ARG 59 63.382 -1.525 -9.807 526 NH2 ARG 59 NH1 ARG 59 65.610 -1.160 -9.733 527 H ARG 59 HN ARG 59 61.479 -5.777 -5.713 528 HA ARG 59 HA ARG 59 63.662 -4.634 -7.295 529 1HB ARG 59 HB2 ARG 59 61.898 -3.651 -5.248 530 2HB ARG 59 HB1 ARG 59 63.543 -3.456 -4.658 531 1HG ARG 59 HG2 ARG 59 62.466 -2.437 -7.292 532 2HG ARG 59 HG1 ARG 59 62.875 -1.475 -5.877 533 1HD ARG 59 HD2 ARG 59 64.915 -1.236 -6.820 534 2HD ARG 59 HD1 ARG 59 65.201 -2.899 -6.313 535 HE ARG 59 HE ARG 59 64.820 -3.614 -8.570 536 1HH1 ARG 59 HH21 ARG 59 62.571 -2.006 -9.474 537 2HH1 ARG 59 HH22 ARG 59 63.296 -0.843 -10.533 538 1HH2 ARG 59 HH11 ARG 59 66.508 -1.360 -9.341 539 2HH2 ARG 59 HH12 ARG 59 65.523 -0.482 -10.462 540 NH1 ARG 60 NH2 ARG 60 64.612 -12.241 -0.260 541 NH2 ARG 60 NH1 ARG 60 63.142 -10.909 0.827 542 H ARG 60 HN ARG 60 63.386 -6.824 -4.586 543 HA ARG 60 HA ARG 60 66.168 -6.393 -3.741 544 1HB ARG 60 HB2 ARG 60 65.742 -8.185 -2.125 545 2HB ARG 60 HB1 ARG 60 64.433 -7.007 -2.084 546 1HG ARG 60 HG2 ARG 60 63.117 -8.503 -3.610 547 2HG ARG 60 HG1 ARG 60 64.400 -9.701 -3.477 548 1HD ARG 60 HD2 ARG 60 62.934 -8.545 -1.095 549 2HD ARG 60 HD1 ARG 60 62.491 -10.066 -1.872 550 HE ARG 60 HE ARG 60 65.293 -9.806 -0.963 551 1HH1 ARG 60 HH21 ARG 60 65.297 -12.369 -0.978 552 2HH1 ARG 60 HH22 ARG 60 64.368 -13.003 0.339 553 1HH2 ARG 60 HH11 ARG 60 62.703 -10.018 0.941 554 2HH2 ARG 60 HH12 ARG 60 62.895 -11.669 1.428 555 H GLN 61 HN GLN 61 64.386 -8.606 -5.804 556 HA GLN 61 HA GLN 61 66.914 -10.133 -6.256 557 1HB GLN 61 HB2 GLN 61 64.041 -10.948 -6.781 558 2HB GLN 61 HB1 GLN 61 65.458 -11.947 -7.102 559 1HG GLN 61 HG2 GLN 61 65.763 -11.109 -4.433 560 2HG GLN 61 HG1 GLN 61 64.051 -11.501 -4.591 561 1HE2 GLN 61 HE22 GLN 61 64.603 -14.985 -4.903 562 2HE2 GLN 61 HE21 GLN 61 63.467 -13.725 -4.951 563 H LYS 62 HN LYS 62 66.948 -7.790 -7.571 564 HA LYS 62 HA LYS 62 65.852 -8.247 -10.294 565 1HB LYS 62 HB2 LYS 62 66.948 -5.875 -8.824 566 2HB LYS 62 HB1 LYS 62 66.969 -5.878 -10.588 567 1HG LYS 62 HG2 LYS 62 64.414 -6.798 -9.984 568 2HG LYS 62 HG1 LYS 62 64.706 -5.571 -8.753 569 1HD LYS 62 HD2 LYS 62 63.726 -4.470 -10.671 570 2HD LYS 62 HD1 LYS 62 65.424 -4.002 -10.591 571 1HE LYS 62 HE2 LYS 62 65.410 -6.356 -12.123 572 2HE LYS 62 HE1 LYS 62 64.016 -5.438 -12.691 573 1HZ LYS 62 HZ1 LYS 62 65.695 -3.478 -12.640 574 2HZ LYS 62 HZ3 LYS 62 66.860 -4.707 -12.725 575 3HZ LYS 62 HZ2 LYS 62 65.693 -4.559 -13.951 576 H GLY 63 HN GLY 63 68.083 -9.875 -9.276 577 1HA GLY 63 HA2 GLY 63 70.099 -10.726 -10.121 578 2HA GLY 63 HA1 GLY 63 69.793 -9.768 -11.569 579 H LYS 64 HN LYS 64 70.446 -8.878 -8.158 580 HA LYS 64 HA LYS 64 72.389 -6.860 -9.139 581 1HB LYS 64 HB2 LYS 64 70.511 -6.514 -7.304 582 2HB LYS 64 HB1 LYS 64 71.729 -7.222 -6.241 583 1HG LYS 64 HG2 LYS 64 73.193 -5.449 -6.502 584 2HG LYS 64 HG1 LYS 64 72.585 -5.047 -8.109 585 1HD LYS 64 HD2 LYS 64 70.500 -4.185 -7.110 586 2HD LYS 64 HD1 LYS 64 71.106 -4.584 -5.502 587 1HE LYS 64 HE2 LYS 64 72.964 -3.026 -5.769 588 2HE LYS 64 HE1 LYS 64 72.473 -2.684 -7.428 589 1HZ LYS 64 HZ3 LYS 64 70.234 -2.078 -6.312 590 2HZ LYS 64 HZ2 LYS 64 71.175 -1.904 -4.908 591 3HZ LYS 64 HZ1 LYS 64 71.511 -0.962 -6.281 592 NH1 ARG 65 NH2 ARG 65 70.941 -13.862 -2.246 593 NH2 ARG 65 NH1 ARG 65 71.819 -12.533 -0.643 594 H ARG 65 HN ARG 65 72.192 -9.734 -7.102 595 HA ARG 65 HA ARG 65 75.180 -9.769 -7.036 596 1HB ARG 65 HB2 ARG 65 74.965 -11.065 -4.914 597 2HB ARG 65 HB1 ARG 65 74.285 -9.444 -4.785 598 1HG ARG 65 HG2 ARG 65 72.120 -10.211 -4.652 599 2HG ARG 65 HG1 ARG 65 72.443 -11.615 -5.669 600 1HD ARG 65 HD2 ARG 65 73.167 -12.902 -3.907 601 2HD ARG 65 HD1 ARG 65 73.819 -11.520 -3.028 602 HE ARG 65 HE ARG 65 71.101 -11.086 -2.923 603 1HH1 ARG 65 HH21 ARG 65 70.697 -14.020 -3.203 604 2HH1 ARG 65 HH22 ARG 65 70.756 -14.566 -1.560 605 1HH2 ARG 65 HH11 ARG 65 72.248 -11.672 -0.371 606 2HH2 ARG 65 HH12 ARG 65 71.633 -13.238 0.042 607 H SER 66 HN SER 66 73.811 -10.829 -9.215 608 HA SER 66 HA SER 66 73.759 -13.770 -8.739 609 1HB SER 66 HB2 SER 66 72.430 -11.934 -10.655 610 2HB SER 66 HB1 SER 66 72.938 -13.487 -11.313 611 HG SER 66 HG SER 66 70.908 -13.747 -10.447 612 H SER 67 HN SER 67 75.298 -15.071 -9.657 613 HA SER 67 HA SER 67 77.104 -13.915 -11.724 614 1HB SER 67 HB2 SER 67 79.002 -15.114 -10.424 615 2HB SER 67 HB1 SER 67 78.432 -13.565 -9.809 616 HG SER 67 HG SER 67 78.454 -15.918 -8.591 Start of MODEL 13 Raw file had 616 H/Q atoms Start of MODEL 13 1 1H MET 1 HT3 MET 1 41.847 8.206 13.271 2 2H MET 1 HT2 MET 1 41.557 6.640 13.861 3 3H MET 1 HT1 MET 1 42.967 6.968 12.972 4 HA MET 1 HA MET 1 41.668 5.951 11.389 5 1HB MET 1 HB2 MET 1 39.223 6.458 11.189 6 2HB MET 1 HB1 MET 1 39.653 5.739 12.741 7 1HG MET 1 HG2 MET 1 39.572 7.866 13.848 8 2HG MET 1 HG1 MET 1 39.460 8.729 12.314 9 1HE MET 1 HE3 MET 1 37.996 6.281 14.730 10 2HE MET 1 HE2 MET 1 37.409 7.844 15.291 11 3HE MET 1 HE1 MET 1 36.262 6.630 14.733 12 H GLU 2 HN GLU 2 43.268 8.327 11.354 13 HA GLU 2 HA GLU 2 42.247 9.532 8.885 14 1HB GLU 2 HB2 GLU 2 41.291 10.805 10.978 15 2HB GLU 2 HB1 GLU 2 42.922 11.470 11.081 16 1HG GLU 2 HG2 GLU 2 42.749 12.214 8.719 17 2HG GLU 2 HG1 GLU 2 41.095 11.603 8.664 18 H THR 3 HN THR 3 44.554 7.950 9.599 19 HA THR 3 HA THR 3 46.768 9.936 9.354 20 HB THR 3 HB THR 3 46.939 6.984 10.030 21 HG1 THR 3 HG1 THR 3 47.120 9.243 11.732 22 1HG2 THR 3 HG23 THR 3 48.937 8.285 9.014 23 2HG2 THR 3 HG22 THR 3 48.990 9.125 10.564 24 3HG2 THR 3 HG21 THR 3 49.214 7.377 10.500 25 H LEU 4 HN LEU 4 46.077 10.172 7.045 26 HA LEU 4 HA LEU 4 47.601 8.308 5.353 27 1HB LEU 4 HB2 LEU 4 45.661 7.962 3.803 28 2HB LEU 4 HB1 LEU 4 45.438 7.198 5.376 29 HG LEU 4 HG LEU 4 44.388 9.698 5.831 30 1HD1 LEU 4 HD12 LEU 4 44.712 9.970 3.245 31 2HD1 LEU 4 HD11 LEU 4 43.289 8.933 3.139 32 3HD1 LEU 4 HD13 LEU 4 43.191 10.480 3.979 33 1HD2 LEU 4 HD21 LEU 4 43.476 7.321 6.255 34 2HD2 LEU 4 HD23 LEU 4 42.293 8.588 5.933 35 3HD2 LEU 4 HD22 LEU 4 42.739 7.454 4.658 36 H VAL 5 HN VAL 5 47.081 9.155 2.896 37 HA VAL 5 HA VAL 5 46.826 12.104 2.869 38 HB VAL 5 HB VAL 5 49.264 10.688 1.744 39 1HG1 VAL 5 HG13 VAL 5 48.452 12.772 0.573 40 2HG1 VAL 5 HG12 VAL 5 48.690 13.646 2.087 41 3HG1 VAL 5 HG11 VAL 5 50.069 12.918 1.263 42 1HG2 VAL 5 HG23 VAL 5 48.795 12.245 4.292 43 2HG2 VAL 5 HG22 VAL 5 49.546 10.662 4.101 44 3HG2 VAL 5 HG21 VAL 5 50.401 12.112 3.576 45 H GLN 6 HN GLN 6 44.911 11.627 1.644 46 HA GLN 6 HA GLN 6 45.373 10.402 -1.037 47 1HB GLN 6 HB2 GLN 6 43.516 9.616 0.630 48 2HB GLN 6 HB1 GLN 6 42.662 11.062 0.090 49 1HG GLN 6 HG2 GLN 6 43.106 10.247 -2.299 50 2HG GLN 6 HG1 GLN 6 43.569 8.707 -1.573 51 1HE2 GLN 6 HE22 GLN 6 40.108 8.477 -0.111 52 2HE2 GLN 6 HE21 GLN 6 41.658 8.625 0.564 53 H ALA 7 HN ALA 7 46.386 12.450 -1.765 54 HA ALA 7 HA ALA 7 44.821 14.887 -1.845 55 1HB ALA 7 HB2 ALA 7 47.490 14.283 -2.196 56 2HB ALA 7 HB1 ALA 7 46.965 14.627 -3.844 57 3HB ALA 7 HB3 ALA 7 46.749 15.837 -2.578 58 NH1 ARG 8 NH1 ARG 8 45.433 18.435 -9.568 59 NH2 ARG 8 NH2 ARG 8 46.419 19.403 -7.779 60 H ARG 8 HN ARG 8 45.986 12.760 -4.479 61 HA ARG 8 HA ARG 8 43.383 13.091 -5.828 62 1HB ARG 8 HB2 ARG 8 46.046 13.456 -7.230 63 2HB ARG 8 HB1 ARG 8 44.447 13.603 -7.960 64 1HG ARG 8 HG2 ARG 8 43.951 15.491 -6.405 65 2HG ARG 8 HG1 ARG 8 45.601 15.382 -5.791 66 1HD ARG 8 HD2 ARG 8 46.523 15.939 -7.946 67 2HD ARG 8 HD1 ARG 8 44.942 15.806 -8.717 68 HE ARG 8 HE ARG 8 44.653 17.767 -6.733 69 1HH1 ARG 8 HH11 ARG 8 44.868 17.708 -9.957 70 2HH1 ARG 8 HH12 ARG 8 45.807 19.149 -10.160 71 1HH2 ARG 8 HH21 ARG 8 46.610 19.418 -6.797 72 2HH2 ARG 8 HH22 ARG 8 46.794 20.117 -8.371 73 H LYS 9 HN LYS 9 42.705 11.157 -6.698 74 HA LYS 9 HA LYS 9 44.486 8.849 -6.389 75 1HB LYS 9 HB2 LYS 9 41.793 9.182 -5.985 76 2HB LYS 9 HB1 LYS 9 41.818 8.406 -7.569 77 1HG LYS 9 HG2 LYS 9 43.620 6.849 -6.331 78 2HG LYS 9 HG1 LYS 9 42.680 7.341 -4.921 79 1HD LYS 9 HD2 LYS 9 40.702 6.377 -5.745 80 2HD LYS 9 HD1 LYS 9 41.295 6.354 -7.407 81 1HE LYS 9 HE2 LYS 9 42.987 4.651 -6.752 82 2HE LYS 9 HE1 LYS 9 42.314 4.636 -5.123 83 1HZ LYS 9 HZ2 LYS 9 40.108 4.229 -6.509 84 2HZ LYS 9 HZ1 LYS 9 41.220 3.550 -7.600 85 3HZ LYS 9 HZ3 LYS 9 41.117 2.954 -6.016 86 NH1 ARG 10 NH2 ARG 10 41.325 11.670 -12.429 87 NH2 ARG 10 NH1 ARG 10 40.571 13.051 -10.805 88 H ARG 10 HN ARG 10 45.482 10.462 -8.383 89 HA ARG 10 HA ARG 10 44.492 9.492 -10.964 90 1HB ARG 10 HB2 ARG 10 46.293 11.637 -10.031 91 2HB ARG 10 HB1 ARG 10 46.788 10.873 -11.541 92 1HG ARG 10 HG2 ARG 10 45.326 12.727 -12.083 93 2HG ARG 10 HG1 ARG 10 44.452 11.230 -12.406 94 1HD ARG 10 HD2 ARG 10 43.322 11.402 -10.229 95 2HD ARG 10 HD1 ARG 10 44.214 12.880 -9.872 96 HE ARG 10 HE ARG 10 42.985 13.955 -11.750 97 1HH1 ARG 10 HH21 ARG 10 42.076 11.323 -12.991 98 2HH1 ARG 10 HH22 ARG 10 40.402 11.306 -12.549 99 1HH2 ARG 10 HH11 ARG 10 40.744 13.761 -10.123 100 2HH2 ARG 10 HH12 ARG 10 39.647 12.687 -10.924 101 H LYS 11 HN LYS 11 47.943 9.795 -10.172 102 HA LYS 11 HA LYS 11 48.363 6.928 -10.070 103 1HB LYS 11 HB2 LYS 11 49.767 6.837 -12.133 104 2HB LYS 11 HB1 LYS 11 48.069 7.161 -12.483 105 1HG LYS 11 HG2 LYS 11 48.493 9.500 -12.812 106 2HG LYS 11 HG1 LYS 11 50.129 9.356 -12.167 107 1HD LYS 11 HD2 LYS 11 49.154 7.954 -14.673 108 2HD LYS 11 HD1 LYS 11 50.069 9.461 -14.670 109 1HE LYS 11 HE2 LYS 11 51.655 7.949 -13.072 110 2HE LYS 11 HE1 LYS 11 50.980 6.694 -14.111 111 1HZ LYS 11 HZ2 LYS 11 51.994 9.173 -15.319 112 2HZ LYS 11 HZ1 LYS 11 53.099 7.979 -14.831 113 3HZ LYS 11 HZ3 LYS 11 51.905 7.610 -15.978 114 NH1 ARG 12 NH1 ARG 12 56.256 10.712 -8.021 115 NH2 ARG 12 NH2 ARG 12 56.252 12.933 -8.439 116 H ARG 12 HN ARG 12 49.039 8.790 -8.206 117 HA ARG 12 HA ARG 12 51.974 8.602 -8.199 118 1HB ARG 12 HB2 ARG 12 50.553 11.112 -8.772 119 2HB ARG 12 HB1 ARG 12 51.672 11.249 -7.415 120 1HG ARG 12 HG2 ARG 12 53.259 9.896 -9.102 121 2HG ARG 12 HG1 ARG 12 52.238 10.704 -10.291 122 1HD ARG 12 HD2 ARG 12 53.943 12.277 -9.956 123 2HD ARG 12 HD1 ARG 12 52.690 12.841 -8.850 124 HE ARG 12 HE ARG 12 53.972 11.798 -7.005 125 1HH1 ARG 12 HH11 ARG 12 55.764 9.875 -7.781 126 2HH1 ARG 12 HH12 ARG 12 57.242 10.683 -8.181 127 1HH2 ARG 12 HH21 ARG 12 55.758 13.799 -8.519 128 2HH2 ARG 12 HH22 ARG 12 57.239 12.905 -8.598 129 H THR 13 HN THR 13 49.028 9.730 -6.525 130 HA THR 13 HA THR 13 50.336 9.763 -3.920 131 HB THR 13 HB THR 13 47.368 9.677 -4.542 132 HG1 THR 13 HG1 THR 13 49.091 11.898 -4.172 133 1HG2 THR 13 HG23 THR 13 48.619 9.403 -2.127 134 2HG2 THR 13 HG22 THR 13 48.423 11.154 -2.212 135 3HG2 THR 13 HG21 THR 13 47.013 10.102 -2.335 136 H SER 14 HN SER 14 48.497 7.465 -5.838 137 HA SER 14 HA SER 14 48.243 5.547 -3.635 138 1HB SER 14 HB2 SER 14 47.825 5.103 -6.607 139 2HB SER 14 HB1 SER 14 47.245 4.079 -5.296 140 HG SER 14 HG SER 14 45.960 6.031 -6.388 141 H ILE 15 HN ILE 15 49.048 3.171 -4.494 142 HA ILE 15 HA ILE 15 51.971 3.474 -4.693 143 HB ILE 15 HB ILE 15 50.217 1.040 -4.280 144 1HG1 ILE 15 HG12 ILE 15 50.254 2.616 -2.387 145 2HG1 ILE 15 HG11 ILE 15 51.134 1.145 -1.977 146 1HG2 ILE 15 HG21 ILE 15 53.242 1.306 -4.230 147 2HG2 ILE 15 HG23 ILE 15 52.349 -0.117 -3.694 148 3HG2 ILE 15 HG22 ILE 15 52.298 0.370 -5.388 149 1HD1 ILE 15 HD13 ILE 15 53.260 2.346 -2.692 150 2HD1 ILE 15 HD12 ILE 15 52.303 3.825 -2.777 151 3HD1 ILE 15 HD11 ILE 15 52.494 2.988 -1.241 152 H GLU 16 HN GLU 16 52.096 4.235 -6.877 153 HA GLU 16 HA GLU 16 51.040 2.766 -9.093 154 1HB GLU 16 HB2 GLU 16 52.308 5.197 -8.790 155 2HB GLU 16 HB1 GLU 16 53.547 4.228 -9.587 156 1HG GLU 16 HG2 GLU 16 51.233 3.563 -10.981 157 2HG GLU 16 HG1 GLU 16 51.029 5.285 -10.660 158 H ASN 17 HN ASN 17 52.242 1.350 -10.512 159 HA ASN 17 HA ASN 17 53.798 -0.614 -9.170 160 1HB ASN 17 HB2 ASN 17 52.521 -0.805 -11.415 161 2HB ASN 17 HB1 ASN 17 53.972 -0.118 -12.146 162 1HD2 ASN 17 HD22 ASN 17 54.325 -3.807 -10.342 163 2HD2 ASN 17 HD21 ASN 17 53.217 -2.685 -9.712 164 NH1 ARG 18 NH2 ARG 18 60.219 3.891 -14.833 165 NH2 ARG 18 NH1 ARG 18 60.929 4.247 -12.716 166 H ARG 18 HN ARG 18 54.704 2.389 -10.678 167 HA ARG 18 HA ARG 18 57.550 1.705 -10.793 168 1HB ARG 18 HB2 ARG 18 55.845 4.012 -11.552 169 2HB ARG 18 HB1 ARG 18 57.478 4.422 -11.026 170 1HG ARG 18 HG2 ARG 18 58.350 2.696 -12.645 171 2HG ARG 18 HG1 ARG 18 56.704 2.520 -13.257 172 1HD ARG 18 HD2 ARG 18 57.569 4.120 -14.718 173 2HD ARG 18 HD1 ARG 18 56.815 5.138 -13.491 174 HE ARG 18 HE ARG 18 58.964 5.945 -13.000 175 1HH1 ARG 18 HH21 ARG 18 59.525 4.004 -15.544 176 2HH1 ARG 18 HH22 ARG 18 61.062 3.392 -15.032 177 1HH2 ARG 18 HH11 ARG 18 60.778 4.634 -11.806 178 2HH2 ARG 18 HH12 ARG 18 61.772 3.749 -12.915 179 H VAL 19 HN VAL 19 55.313 3.272 -8.567 180 HA VAL 19 HA VAL 19 57.353 4.487 -6.946 181 HB VAL 19 HB VAL 19 54.669 4.817 -7.005 182 1HG1 VAL 19 HG13 VAL 19 55.169 3.044 -4.585 183 2HG1 VAL 19 HG12 VAL 19 53.767 4.079 -4.788 184 3HG1 VAL 19 HG11 VAL 19 54.035 2.741 -5.904 185 1HG2 VAL 19 HG22 VAL 19 56.589 6.151 -5.920 186 2HG2 VAL 19 HG21 VAL 19 55.001 6.284 -5.162 187 3HG2 VAL 19 HG23 VAL 19 56.233 5.240 -4.453 188 NH1 ARG 20 NH1 ARG 20 52.820 -4.322 -5.617 189 NH2 ARG 20 NH2 ARG 20 51.575 -3.228 -7.154 190 H ARG 20 HN ARG 20 55.600 1.395 -6.678 191 HA ARG 20 HA ARG 20 56.904 0.593 -4.262 192 1HB ARG 20 HB2 ARG 20 56.272 -1.742 -4.924 193 2HB ARG 20 HB1 ARG 20 54.923 -0.612 -4.984 194 1HG ARG 20 HG2 ARG 20 55.120 -0.412 -7.394 195 2HG ARG 20 HG1 ARG 20 56.596 -1.372 -7.394 196 1HD ARG 20 HD2 ARG 20 54.695 -2.760 -8.063 197 2HD ARG 20 HD1 ARG 20 55.346 -3.308 -6.519 198 HE ARG 20 HE ARG 20 53.266 -1.448 -5.979 199 1HH1 ARG 20 HH11 ARG 20 53.630 -4.368 -5.032 200 2HH1 ARG 20 HH12 ARG 20 52.158 -5.071 -5.613 201 1HH2 ARG 20 HH21 ARG 20 51.431 -2.435 -7.748 202 2HH2 ARG 20 HH22 ARG 20 50.912 -3.977 -7.151 203 CH2 TRP 21 CH2 TRP 21 58.739 -5.690 -6.260 204 H TRP 21 HN TRP 21 57.825 0.085 -7.667 205 HA TRP 21 HA TRP 21 60.205 -1.327 -6.767 206 1HB TRP 21 HB2 TRP 21 58.951 -0.843 -9.363 207 2HB TRP 21 HB1 TRP 21 60.703 -0.609 -9.427 208 HD1 TRP 21 HD1 TRP 21 61.498 -2.908 -10.425 209 HE1 TRP 21 HE1 TRP 21 61.369 -5.350 -9.587 210 HE3 TRP 21 HE3 TRP 21 58.200 -2.365 -6.576 211 HZ2 TRP 21 HZ2 TRP 21 60.035 -6.857 -7.511 212 HZ3 TRP 21 HZ3 TRP 21 57.530 -4.265 -5.181 213 HH2 TRP 21 HH2 TRP 21 58.453 -6.527 -5.640 214 H SER 22 HN SER 22 59.279 1.917 -6.914 215 HA SER 22 HA SER 22 61.893 3.096 -7.282 216 1HB SER 22 HB2 SER 22 59.575 4.288 -7.398 217 2HB SER 22 HB1 SER 22 59.657 4.297 -5.639 218 HG SER 22 HG SER 22 61.734 5.335 -5.896 219 H LEU 23 HN LEU 23 59.883 1.868 -4.635 220 HA LEU 23 HA LEU 23 61.510 2.538 -2.388 221 1HB LEU 23 HB2 LEU 23 59.948 -0.039 -2.860 222 2HB LEU 23 HB1 LEU 23 60.528 0.524 -1.310 223 HG LEU 23 HG LEU 23 58.725 2.321 -2.878 224 1HD1 LEU 23 HD13 LEU 23 57.902 -0.193 -2.691 225 2HD1 LEU 23 HD12 LEU 23 57.587 0.252 -1.015 226 3HD1 LEU 23 HD11 LEU 23 56.791 1.126 -2.324 227 1HD2 LEU 23 HD22 LEU 23 59.862 2.891 -0.653 228 2HD2 LEU 23 HD21 LEU 23 58.107 3.072 -0.681 229 3HD2 LEU 23 HD23 LEU 23 58.835 1.656 0.076 230 H GLU 24 HN GLU 24 61.496 -0.205 -4.603 231 HA GLU 24 HA GLU 24 63.594 -1.739 -3.492 232 1HB GLU 24 HB2 GLU 24 62.016 -2.183 -5.541 233 2HB GLU 24 HB1 GLU 24 63.327 -1.462 -6.474 234 1HG GLU 24 HG2 GLU 24 64.685 -3.262 -6.192 235 2HG GLU 24 HG1 GLU 24 64.225 -3.463 -4.501 236 H THR 25 HN THR 25 63.979 0.630 -6.178 237 HA THR 25 HA THR 25 66.803 0.476 -6.273 238 HB THR 25 HB THR 25 65.536 1.579 -8.040 239 HG1 THR 25 HG1 THR 25 67.159 2.849 -8.370 240 1HG2 THR 25 HG22 THR 25 64.807 3.489 -5.820 241 2HG2 THR 25 HG21 THR 25 64.654 3.924 -7.524 242 3HG2 THR 25 HG23 THR 25 63.728 2.574 -6.871 243 H MET 26 HN MET 26 64.739 2.029 -3.923 244 HA MET 26 HA MET 26 66.895 3.779 -2.936 245 1HB MET 26 HB2 MET 26 64.344 4.249 -2.884 246 2HB MET 26 HB1 MET 26 64.326 3.185 -1.478 247 1HG MET 26 HG2 MET 26 66.171 4.626 -0.497 248 2HG MET 26 HG1 MET 26 65.882 5.760 -1.816 249 1HE MET 26 HE1 MET 26 64.558 7.228 -2.060 250 2HE MET 26 HE3 MET 26 62.957 7.541 -1.376 251 3HE MET 26 HE2 MET 26 64.403 8.066 -0.518 252 H PHE 27 HN PHE 27 65.546 0.625 -2.155 253 HA PHE 27 HA PHE 27 67.028 0.514 0.392 254 1HB PHE 27 HB2 PHE 27 64.995 -1.288 -0.927 255 2HB PHE 27 HB1 PHE 27 65.985 -1.861 0.410 256 HD1 PHE 27 HD2 PHE 27 66.136 -0.352 2.513 257 HD2 PHE 27 HD1 PHE 27 63.068 0.005 -0.471 258 HE1 PHE 27 HE2 PHE 27 64.709 0.872 4.126 259 HE2 PHE 27 HE1 PHE 27 61.643 1.235 1.141 260 HZ PHE 27 HZ PHE 27 62.469 1.656 3.441 261 H LEU 28 HN LEU 28 67.637 -0.295 -2.869 262 HA LEU 28 HA LEU 28 69.445 -2.511 -2.159 263 1HB LEU 28 HB2 LEU 28 68.761 -1.275 -4.836 264 2HB LEU 28 HB1 LEU 28 69.764 -2.711 -4.603 265 HG LEU 28 HG LEU 28 66.919 -2.450 -3.590 266 1HD1 LEU 28 HD11 LEU 28 68.046 -3.422 -6.181 267 2HD1 LEU 28 HD13 LEU 28 66.682 -4.296 -5.483 268 3HD1 LEU 28 HD12 LEU 28 66.529 -2.580 -5.861 269 1HD2 LEU 28 HD22 LEU 28 68.998 -4.624 -3.598 270 2HD2 LEU 28 HD21 LEU 28 67.963 -4.085 -2.276 271 3HD2 LEU 28 HD23 LEU 28 67.285 -5.043 -3.593 272 H LYS 29 HN LYS 29 69.923 0.436 -1.431 273 HA LYS 29 HA LYS 29 72.573 0.763 -2.756 274 1HB LYS 29 HB2 LYS 29 72.497 3.096 -1.990 275 2HB LYS 29 HB1 LYS 29 71.031 2.723 -2.890 276 1HG LYS 29 HG2 LYS 29 69.889 2.260 -0.679 277 2HG LYS 29 HG1 LYS 29 71.335 2.870 0.125 278 1HD LYS 29 HD2 LYS 29 69.695 4.670 -0.065 279 2HD LYS 29 HD1 LYS 29 71.072 5.021 -1.108 280 1HE LYS 29 HE2 LYS 29 68.998 3.447 -2.459 281 2HE LYS 29 HE1 LYS 29 68.418 5.016 -1.901 282 1HZ LYS 29 HZ2 LYS 29 70.647 5.835 -2.921 283 2HZ LYS 29 HZ1 LYS 29 70.548 4.401 -3.827 284 3HZ LYS 29 HZ3 LYS 29 69.306 5.550 -3.925 285 H CYS 30 HN CYS 30 70.898 0.718 0.342 286 HA CYS 30 HA CYS 30 73.367 -0.241 1.649 287 1HB CYS 30 HB2 CYS 30 71.637 2.044 2.647 288 2HB CYS 30 HB1 CYS 30 72.902 1.264 3.596 289 HG CYS 30 HG CYS 30 74.629 2.520 2.332 290 HA PRO 31 HA PRO 31 70.017 -2.846 3.202 291 1HB PRO 31 HB2 PRO 31 71.589 -4.692 4.462 292 2HB PRO 31 HB1 PRO 31 71.387 -4.654 2.701 293 1HG PRO 31 HG2 PRO 31 73.742 -3.860 4.331 294 2HG PRO 31 HG1 PRO 31 73.671 -4.362 2.635 295 1HD PRO 31 HD2 PRO 31 73.871 -1.683 3.635 296 2HD PRO 31 HD1 PRO 31 73.653 -2.180 1.943 297 H LYS 32 HN LYS 32 71.164 -0.474 4.827 298 HA LYS 32 HA LYS 32 70.697 -1.642 7.515 299 1HB LYS 32 HB2 LYS 32 72.214 0.174 8.362 300 2HB LYS 32 HB1 LYS 32 73.015 -1.002 7.319 301 1HG LYS 32 HG2 LYS 32 72.989 0.488 5.448 302 2HG LYS 32 HG1 LYS 32 71.861 1.584 6.247 303 1HD LYS 32 HD2 LYS 32 73.902 2.680 6.567 304 2HD LYS 32 HD1 LYS 32 73.743 1.764 8.067 305 1HE LYS 32 HE2 LYS 32 75.342 0.193 7.436 306 2HE LYS 32 HE1 LYS 32 75.108 0.495 5.715 307 1HZ LYS 32 HZ1 LYS 32 76.143 2.633 7.451 308 2HZ LYS 32 HZ3 LYS 32 77.193 1.421 6.897 309 3HZ LYS 32 HZ2 LYS 32 76.365 2.400 5.783 310 HA PRO 33 HA PRO 33 67.898 2.108 6.732 311 1HB PRO 33 HB2 PRO 33 65.488 0.863 6.306 312 2HB PRO 33 HB1 PRO 33 66.578 1.352 4.996 313 1HG PRO 33 HG2 PRO 33 66.049 -1.371 6.086 314 2HG PRO 33 HG1 PRO 33 66.551 -0.889 4.457 315 1HD PRO 33 HD2 PRO 33 68.258 -1.961 6.438 316 2HD PRO 33 HD1 PRO 33 68.772 -1.109 4.966 317 H SER 34 HN SER 34 67.097 2.912 8.640 318 HA SER 34 HA SER 34 66.894 1.283 11.004 319 1HB SER 34 HB2 SER 34 66.356 4.130 10.297 320 2HB SER 34 HB1 SER 34 65.652 3.499 11.784 321 HG SER 34 HG SER 34 67.699 2.949 12.484 322 H LEU 35 HN LEU 35 65.046 0.554 12.102 323 HA LEU 35 HA LEU 35 62.732 -0.098 10.522 324 1HB LEU 35 HB2 LEU 35 63.125 0.020 13.533 325 2HB LEU 35 HB1 LEU 35 61.677 -0.623 12.756 326 HG LEU 35 HG LEU 35 63.807 -1.870 11.424 327 1HD1 LEU 35 HD13 LEU 35 65.236 -1.049 13.343 328 2HD1 LEU 35 HD12 LEU 35 64.252 -2.045 14.416 329 3HD1 LEU 35 HD11 LEU 35 65.214 -2.802 13.146 330 1HD2 LEU 35 HD23 LEU 35 61.528 -2.754 12.186 331 2HD2 LEU 35 HD22 LEU 35 62.876 -3.882 12.323 332 3HD2 LEU 35 HD21 LEU 35 62.275 -3.049 13.757 333 H GLN 36 HN GLN 36 63.691 2.618 12.476 334 HA GLN 36 HA GLN 36 61.080 3.900 12.625 335 1HB GLN 36 HB2 GLN 36 63.926 4.917 12.906 336 2HB GLN 36 HB1 GLN 36 62.525 5.982 13.038 337 1HG GLN 36 HG2 GLN 36 62.774 5.400 15.263 338 2HG GLN 36 HG1 GLN 36 61.702 4.102 14.736 339 1HE2 GLN 36 HE22 GLN 36 65.618 3.251 15.602 340 2HE2 GLN 36 HE21 GLN 36 65.131 4.864 15.400 341 H GLN 37 HN GLN 37 63.836 3.909 10.434 342 HA GLN 37 HA GLN 37 62.915 5.949 8.647 343 1HB GLN 37 HB2 GLN 37 65.244 5.008 8.664 344 2HB GLN 37 HB1 GLN 37 64.601 3.515 7.978 345 1HG GLN 37 HG2 GLN 37 63.883 4.637 5.981 346 2HG GLN 37 HG1 GLN 37 64.202 6.223 6.686 347 1HE2 GLN 37 HE22 GLN 37 67.264 4.080 5.062 348 2HE2 GLN 37 HE21 GLN 37 65.710 3.409 5.187 349 H ILE 38 HN ILE 38 62.087 2.546 9.066 350 HA ILE 38 HA ILE 38 60.751 2.303 6.511 351 HB ILE 38 HB ILE 38 60.806 0.616 9.020 352 1HG1 ILE 38 HG12 ILE 38 62.630 0.404 7.382 353 2HG1 ILE 38 HG11 ILE 38 61.661 -1.067 7.412 354 1HG2 ILE 38 HG22 ILE 38 58.886 0.316 6.679 355 2HG2 ILE 38 HG21 ILE 38 59.317 -1.031 7.734 356 3HG2 ILE 38 HG23 ILE 38 58.487 0.379 8.395 357 1HD1 ILE 38 HD12 ILE 38 60.420 0.587 5.495 358 2HD1 ILE 38 HD11 ILE 38 62.151 0.752 5.199 359 3HD1 ILE 38 HD13 ILE 38 61.400 -0.844 5.176 360 H THR 39 HN THR 39 59.896 3.398 9.717 361 HA THR 39 HA THR 39 57.042 3.550 9.317 362 HB THR 39 HB THR 39 58.665 5.485 10.990 363 HG1 THR 39 HG1 THR 39 58.516 3.905 12.628 364 1HG2 THR 39 HG22 THR 39 55.847 4.450 10.947 365 2HG2 THR 39 HG21 THR 39 56.542 5.037 12.458 366 3HG2 THR 39 HG23 THR 39 56.417 6.114 11.067 367 H HIS 40 HN HIS 40 59.765 5.696 8.663 368 HA HIS 40 HA HIS 40 58.196 7.892 7.599 369 1HB HIS 40 HB2 HIS 40 61.026 7.219 7.927 370 2HB HIS 40 HB1 HIS 40 60.715 7.996 6.376 371 HD1 HIS 40 HD1 HIS 40 61.035 8.699 9.972 372 HD2 HIS 40 HD2 HIS 40 59.374 10.605 6.657 373 HE1 HIS 40 HE1 HIS 40 60.643 11.109 10.651 374 H ILE 41 HN ILE 41 59.348 4.842 6.352 375 HA ILE 41 HA ILE 41 59.141 5.473 3.558 376 HB ILE 41 HB ILE 41 59.561 3.083 5.218 377 1HG1 ILE 41 HG12 ILE 41 60.782 2.513 2.934 378 2HG1 ILE 41 HG11 ILE 41 60.507 4.225 2.624 379 1HG2 ILE 41 HG23 ILE 41 58.080 2.730 2.596 380 2HG2 ILE 41 HG22 ILE 41 58.887 1.435 3.480 381 3HG2 ILE 41 HG21 ILE 41 57.500 2.256 4.194 382 1HD1 ILE 41 HD12 ILE 41 61.875 3.104 5.092 383 2HD1 ILE 41 HD11 ILE 41 62.704 3.827 3.715 384 3HD1 ILE 41 HD13 ILE 41 61.643 4.812 4.720 385 H ALA 42 HN ALA 42 56.892 4.095 5.947 386 HA ALA 42 HA ALA 42 54.681 3.657 4.249 387 1HB ALA 42 HB3 ALA 42 54.791 2.821 6.569 388 2HB ALA 42 HB2 ALA 42 54.670 4.476 7.165 389 3HB ALA 42 HB1 ALA 42 53.315 3.750 6.301 390 H ASN 43 HN ASN 43 55.318 6.489 6.327 391 HA ASN 43 HA ASN 43 53.179 8.062 5.250 392 1HB ASN 43 HB2 ASN 43 55.726 8.701 6.721 393 2HB ASN 43 HB1 ASN 43 54.748 10.005 6.046 394 1HD2 ASN 43 HD22 ASN 43 53.257 7.810 9.180 395 2HD2 ASN 43 HD21 ASN 43 54.543 7.187 8.265 396 H GLN 44 HN GLN 44 56.266 7.133 4.016 397 HA GLN 44 HA GLN 44 56.587 9.314 2.158 398 1HB GLN 44 HB2 GLN 44 58.015 6.867 2.882 399 2HB GLN 44 HB1 GLN 44 58.152 7.285 1.182 400 1HG GLN 44 HG2 GLN 44 58.766 9.127 3.513 401 2HG GLN 44 HG1 GLN 44 59.968 8.299 2.524 402 1HE2 GLN 44 HE22 GLN 44 58.721 11.839 1.277 403 2HE2 GLN 44 HE21 GLN 44 58.663 11.285 2.881 404 H LEU 45 HN LEU 45 54.988 6.158 1.980 405 HA LEU 45 HA LEU 45 54.156 6.938 -0.775 406 1HB LEU 45 HB2 LEU 45 54.392 4.743 -1.635 407 2HB LEU 45 HB1 LEU 45 55.870 5.058 -0.740 408 HG LEU 45 HG LEU 45 53.544 3.619 0.531 409 1HD1 LEU 45 HD11 LEU 45 55.038 2.680 -1.689 410 2HD1 LEU 45 HD13 LEU 45 55.691 1.853 -0.275 411 3HD1 LEU 45 HD12 LEU 45 53.971 1.745 -0.646 412 1HD2 LEU 45 HD23 LEU 45 56.386 4.237 1.133 413 2HD2 LEU 45 HD22 LEU 45 55.003 4.103 2.221 414 3HD2 LEU 45 HD21 LEU 45 55.798 2.648 1.622 415 H GLY 46 HN GLY 46 52.889 7.025 2.024 416 1HA GLY 46 HA2 GLY 46 50.769 6.704 2.963 417 2HA GLY 46 HA1 GLY 46 50.217 6.904 1.308 418 H LEU 47 HN LEU 47 52.196 4.128 2.224 419 HA LEU 47 HA LEU 47 49.814 2.427 1.672 420 1HB LEU 47 HB2 LEU 47 51.171 0.806 0.783 421 2HB LEU 47 HB1 LEU 47 52.236 2.169 0.523 422 HG LEU 47 HG LEU 47 52.361 0.186 2.797 423 1HD1 LEU 47 HD11 LEU 47 53.345 -0.050 0.243 424 2HD1 LEU 47 HD13 LEU 47 54.722 0.645 1.099 425 3HD1 LEU 47 HD12 LEU 47 54.015 -0.870 1.653 426 1HD2 LEU 47 HD21 LEU 47 53.494 2.868 2.500 427 2HD2 LEU 47 HD23 LEU 47 53.266 1.905 3.949 428 3HD2 LEU 47 HD22 LEU 47 54.676 1.642 2.926 429 H GLU 48 HN GLU 48 49.983 0.229 2.957 430 HA GLU 48 HA GLU 48 49.975 0.965 5.818 431 1HB GLU 48 HB2 GLU 48 48.063 -0.325 4.788 432 2HB GLU 48 HB1 GLU 48 49.183 -1.658 4.507 433 1HG GLU 48 HG2 GLU 48 48.435 -2.330 6.565 434 2HG GLU 48 HG1 GLU 48 49.672 -1.208 7.129 435 H LYS 49 HN LYS 49 51.337 -0.112 7.317 436 HA LYS 49 HA LYS 49 53.944 -0.811 6.438 437 1HB LYS 49 HB2 LYS 49 52.442 -0.989 8.993 438 2HB LYS 49 HB1 LYS 49 53.848 -2.044 8.843 439 1HG LYS 49 HG2 LYS 49 54.973 -0.184 9.563 440 2HG LYS 49 HG1 LYS 49 54.890 0.258 7.858 441 1HD LYS 49 HD2 LYS 49 54.060 2.175 8.927 442 2HD LYS 49 HD1 LYS 49 52.588 1.308 8.485 443 1HE LYS 49 HE2 LYS 49 52.241 1.893 10.751 444 2HE LYS 49 HE1 LYS 49 52.770 0.213 10.825 445 1HZ LYS 49 HZ2 LYS 49 55.109 1.301 10.987 446 2HZ LYS 49 HZ1 LYS 49 54.239 2.657 11.527 447 3HZ LYS 49 HZ3 LYS 49 54.129 1.189 12.370 448 H ASP 50 HN ASP 50 51.044 -2.708 6.460 449 HA ASP 50 HA ASP 50 52.313 -5.301 6.637 450 1HB ASP 50 HB2 ASP 50 49.732 -4.443 6.821 451 2HB ASP 50 HB1 ASP 50 49.742 -5.086 5.179 452 H VAL 51 HN VAL 51 51.423 -3.147 3.919 453 HA VAL 51 HA VAL 51 52.213 -5.211 1.975 454 HB VAL 51 HB VAL 51 50.394 -3.630 1.421 455 1HG1 VAL 51 HG11 VAL 51 52.356 -1.696 2.335 456 2HG1 VAL 51 HG13 VAL 51 51.775 -1.279 0.723 457 3HG1 VAL 51 HG12 VAL 51 50.631 -1.478 2.049 458 1HG2 VAL 51 HG23 VAL 51 52.131 -4.616 -0.278 459 2HG2 VAL 51 HG22 VAL 51 51.022 -3.357 -0.820 460 3HG2 VAL 51 HG21 VAL 51 52.687 -2.947 -0.406 461 H VAL 52 HN VAL 52 53.682 -2.553 3.681 462 HA VAL 52 HA VAL 52 55.952 -2.325 1.873 463 HB VAL 52 HB VAL 52 54.889 -0.651 3.735 464 1HG1 VAL 52 HG13 VAL 52 57.304 -1.856 5.104 465 2HG1 VAL 52 HG12 VAL 52 56.458 -0.395 5.612 466 3HG1 VAL 52 HG11 VAL 52 55.637 -1.954 5.671 467 1HG2 VAL 52 HG22 VAL 52 56.841 -0.515 1.885 468 2HG2 VAL 52 HG21 VAL 52 56.510 0.792 3.023 469 3HG2 VAL 52 HG23 VAL 52 57.816 -0.348 3.345 470 NH1 ARG 53 NH2 ARG 53 55.814 -10.038 9.670 471 NH2 ARG 53 NH1 ARG 53 57.770 -10.828 8.857 472 H ARG 53 HN ARG 53 55.104 -4.220 4.700 473 HA ARG 53 HA ARG 53 57.838 -5.183 5.134 474 1HB ARG 53 HB2 ARG 53 55.974 -4.941 6.908 475 2HB ARG 53 HB1 ARG 53 55.322 -6.436 6.240 476 1HG ARG 53 HG2 ARG 53 58.187 -6.682 6.679 477 2HG ARG 53 HG1 ARG 53 57.373 -6.189 8.162 478 1HD ARG 53 HD2 ARG 53 55.655 -8.086 7.441 479 2HD ARG 53 HD1 ARG 53 57.062 -8.707 6.578 480 HE ARG 53 HE ARG 53 57.881 -8.083 9.224 481 1HH1 ARG 53 HH21 ARG 53 55.190 -9.274 9.832 482 2HH1 ARG 53 HH22 ARG 53 55.565 -10.959 9.968 483 1HH2 ARG 53 HH11 ARG 53 58.644 -10.669 8.397 484 2HH2 ARG 53 HH12 ARG 53 57.522 -11.750 9.155 485 H VAL 54 HN VAL 54 54.865 -6.368 3.592 486 HA VAL 54 HA VAL 54 55.848 -9.025 3.049 487 HB VAL 54 HB VAL 54 53.782 -7.406 1.518 488 1HG1 VAL 54 HG11 VAL 54 54.714 -9.468 0.387 489 2HG1 VAL 54 HG13 VAL 54 54.107 -10.411 1.748 490 3HG1 VAL 54 HG12 VAL 54 52.981 -9.537 0.710 491 1HG2 VAL 54 HG22 VAL 54 53.622 -7.982 4.140 492 2HG2 VAL 54 HG21 VAL 54 52.209 -8.027 3.085 493 3HG2 VAL 54 HG23 VAL 54 53.054 -9.520 3.492 494 CH2 TRP 55 CH2 TRP 55 61.836 -2.218 -1.522 495 H TRP 55 HN TRP 55 55.993 -5.956 1.255 496 HA TRP 55 HA TRP 55 57.285 -7.142 -1.051 497 1HB TRP 55 HB2 TRP 55 56.265 -4.986 -1.409 498 2HB TRP 55 HB1 TRP 55 57.127 -4.279 -0.043 499 HD1 TRP 55 HD1 TRP 55 57.853 -5.730 -3.574 500 HE1 TRP 55 HE1 TRP 55 60.044 -4.674 -4.421 501 HE3 TRP 55 HE3 TRP 55 59.235 -2.985 0.535 502 HZ2 TRP 55 HZ2 TRP 55 62.065 -2.951 -3.527 503 HZ3 TRP 55 HZ3 TRP 55 61.336 -1.680 0.496 504 HH2 TRP 55 HH2 TRP 55 62.746 -1.637 -1.538 505 H PHE 56 HN PHE 56 58.360 -5.748 2.030 506 HA PHE 56 HA PHE 56 61.161 -6.008 1.259 507 1HB PHE 56 HB2 PHE 56 59.844 -4.554 3.251 508 2HB PHE 56 HB1 PHE 56 60.776 -5.768 4.133 509 HD1 PHE 56 HD1 PHE 56 63.182 -6.236 2.776 510 HD2 PHE 56 HD2 PHE 56 60.995 -2.549 2.984 511 HE1 PHE 56 HE1 PHE 56 65.246 -4.989 2.243 512 HE2 PHE 56 HE2 PHE 56 63.059 -1.315 2.463 513 HZ PHE 56 HZ PHE 56 65.181 -2.525 2.074 514 H CYS 57 HN CYS 57 58.857 -8.260 2.188 515 HA CYS 57 HA CYS 57 60.622 -9.944 3.793 516 1HB CYS 57 HB2 CYS 57 57.917 -9.951 3.414 517 2HB CYS 57 HB1 CYS 57 58.395 -11.194 2.257 518 HG CYS 57 HG CYS 57 59.792 -11.766 4.837 519 H ASN 58 HN ASN 58 59.663 -9.555 0.439 520 HA ASN 58 HA ASN 58 61.416 -11.746 -0.466 521 1HB ASN 58 HB2 ASN 58 59.148 -10.914 -1.527 522 2HB ASN 58 HB1 ASN 58 60.185 -9.721 -2.310 523 1HD2 ASN 58 HD22 ASN 58 60.965 -13.678 -3.159 524 2HD2 ASN 58 HD21 ASN 58 60.457 -13.258 -1.594 525 NH1 ARG 59 NH2 ARG 59 64.241 -8.303 -4.017 526 NH2 ARG 59 NH1 ARG 59 66.374 -7.761 -4.525 527 H ARG 59 HN ARG 59 61.535 -8.259 -0.022 528 HA ARG 59 HA ARG 59 63.892 -7.936 -1.731 529 1HB ARG 59 HB2 ARG 59 62.037 -6.132 -0.474 530 2HB ARG 59 HB1 ARG 59 63.654 -5.699 0.082 531 1HG ARG 59 HG2 ARG 59 62.740 -5.967 -2.800 532 2HG ARG 59 HG1 ARG 59 63.158 -4.487 -1.948 533 1HD ARG 59 HD2 ARG 59 65.360 -4.762 -2.331 534 2HD ARG 59 HD1 ARG 59 65.317 -6.441 -1.801 535 HE ARG 59 HE ARG 59 64.794 -5.512 -4.583 536 1HH1 ARG 59 HH21 ARG 59 63.325 -8.032 -3.721 537 2HH1 ARG 59 HH22 ARG 59 64.435 -9.262 -4.224 538 1HH2 ARG 59 HH11 ARG 59 67.095 -7.075 -4.618 539 2HH2 ARG 59 HH12 ARG 59 66.568 -8.721 -4.732 540 NH1 ARG 60 NH2 ARG 60 63.841 -10.465 7.980 541 NH2 ARG 60 NH1 ARG 60 61.971 -11.725 8.124 542 H ARG 60 HN ARG 60 63.286 -8.893 1.552 543 HA ARG 60 HA ARG 60 66.065 -8.258 2.352 544 1HB ARG 60 HB2 ARG 60 65.435 -9.020 4.575 545 2HB ARG 60 HB1 ARG 60 64.200 -7.912 3.986 546 1HG ARG 60 HG2 ARG 60 62.865 -9.928 3.241 547 2HG ARG 60 HG1 ARG 60 64.050 -10.939 4.066 548 1HD ARG 60 HD2 ARG 60 63.431 -9.047 5.992 549 2HD ARG 60 HD1 ARG 60 61.881 -9.315 5.196 550 HE ARG 60 HE ARG 60 62.525 -11.849 5.604 551 1HH1 ARG 60 HH21 ARG 60 64.510 -9.968 7.427 552 2HH1 ARG 60 HH22 ARG 60 63.937 -10.494 8.974 553 1HH2 ARG 60 HH11 ARG 60 61.207 -12.194 7.681 554 2HH2 ARG 60 HH12 ARG 60 62.067 -11.754 9.119 555 H GLN 61 HN GLN 61 64.086 -10.947 1.313 556 HA GLN 61 HA GLN 61 66.453 -12.751 1.621 557 1HB GLN 61 HB2 GLN 61 64.528 -13.416 3.044 558 2HB GLN 61 HB1 GLN 61 63.506 -13.490 1.610 559 1HG GLN 61 HG2 GLN 61 64.442 -15.452 0.876 560 2HG GLN 61 HG1 GLN 61 66.039 -15.051 1.512 561 1HE2 GLN 61 HE22 GLN 61 63.845 -17.571 3.618 562 2HE2 GLN 61 HE21 GLN 61 63.699 -17.291 1.950 563 H LYS 62 HN LYS 62 66.625 -11.322 -0.560 564 HA LYS 62 HA LYS 62 65.174 -12.504 -2.814 565 1HB LYS 62 HB2 LYS 62 66.600 -11.009 -4.176 566 2HB LYS 62 HB1 LYS 62 65.811 -10.136 -2.865 567 1HG LYS 62 HG2 LYS 62 68.335 -11.182 -1.927 568 2HG LYS 62 HG1 LYS 62 68.596 -10.284 -3.420 569 1HD LYS 62 HD2 LYS 62 66.862 -8.624 -2.094 570 2HD LYS 62 HD1 LYS 62 67.779 -9.311 -0.753 571 1HE LYS 62 HE2 LYS 62 69.866 -8.780 -2.236 572 2HE LYS 62 HE1 LYS 62 68.773 -7.682 -3.079 573 1HZ LYS 62 HZ2 LYS 62 68.199 -6.862 -0.737 574 2HZ LYS 62 HZ1 LYS 62 69.643 -7.621 -0.262 575 3HZ LYS 62 HZ3 LYS 62 69.681 -6.378 -1.415 576 H GLY 63 HN GLY 63 68.202 -12.990 -1.145 577 1HA GLY 63 HA2 GLY 63 68.727 -15.540 -2.131 578 2HA GLY 63 HA1 GLY 63 69.553 -14.445 -3.243 579 H LYS 64 HN LYS 64 69.199 -15.081 0.251 580 HA LYS 64 HA LYS 64 71.930 -13.972 0.671 581 1HB LYS 64 HB2 LYS 64 69.477 -14.185 2.309 582 2HB LYS 64 HB1 LYS 64 70.974 -14.528 3.177 583 1HG LYS 64 HG2 LYS 64 71.920 -12.390 2.453 584 2HG LYS 64 HG1 LYS 64 70.473 -12.049 1.503 585 1HD LYS 64 HD2 LYS 64 70.169 -10.860 3.543 586 2HD LYS 64 HD1 LYS 64 69.164 -12.301 3.696 587 1HE LYS 64 HE2 LYS 64 71.265 -13.377 4.788 588 2HE LYS 64 HE1 LYS 64 71.822 -11.715 4.988 589 1HZ LYS 64 HZ1 LYS 64 69.524 -11.321 5.992 590 2HZ LYS 64 HZ3 LYS 64 69.428 -13.008 6.133 591 3HZ LYS 64 HZ2 LYS 64 70.663 -12.160 6.933 592 NH1 ARG 65 NH1 ARG 65 71.577 -16.564 7.174 593 NH2 ARG 65 NH2 ARG 65 69.405 -17.017 7.605 594 H ARG 65 HN ARG 65 69.987 -16.890 1.077 595 HA ARG 65 HA ARG 65 72.527 -18.382 1.546 596 1HB ARG 65 HB2 ARG 65 70.041 -18.354 3.195 597 2HB ARG 65 HB1 ARG 65 70.850 -19.907 2.976 598 1HG ARG 65 HG2 ARG 65 72.948 -18.974 3.809 599 2HG ARG 65 HG1 ARG 65 72.212 -17.376 3.943 600 1HD ARG 65 HD2 ARG 65 71.175 -19.810 5.415 601 2HD ARG 65 HD1 ARG 65 72.321 -18.668 6.117 602 HE ARG 65 HE ARG 65 69.605 -17.825 5.185 603 1HH1 ARG 65 HH11 ARG 65 72.385 -16.668 6.595 604 2HH1 ARG 65 HH12 ARG 65 71.624 -16.007 8.004 605 1HH2 ARG 65 HH21 ARG 65 68.549 -17.469 7.356 606 2HH2 ARG 65 HH22 ARG 65 69.454 -16.460 8.434 607 H SER 66 HN SER 66 72.657 -19.364 -0.447 608 HA SER 66 HA SER 66 70.230 -20.702 -1.531 609 1HB SER 66 HB2 SER 66 71.738 -19.174 -2.957 610 2HB SER 66 HB1 SER 66 72.920 -20.479 -2.895 611 HG SER 66 HG SER 66 71.752 -21.561 -4.264 612 H SER 67 HN SER 67 70.491 -22.297 0.303 613 HA SER 67 HA SER 67 72.337 -24.485 -0.550 614 1HB SER 67 HB2 SER 67 71.766 -23.699 2.322 615 2HB SER 67 HB1 SER 67 72.831 -24.995 1.784 616 HG SER 67 HG SER 67 74.288 -23.556 1.156 Start of MODEL 14 Raw file had 616 H/Q atoms Start of MODEL 14 1 1H MET 1 HT1 MET 1 79.985 27.384 3.037 2 2H MET 1 HT3 MET 1 81.595 27.898 3.188 3 3H MET 1 HT2 MET 1 81.185 26.720 2.034 4 HA MET 1 HA MET 1 82.117 25.465 3.721 5 1HB MET 1 HB2 MET 1 80.733 27.470 5.488 6 2HB MET 1 HB1 MET 1 81.222 25.904 6.135 7 1HG MET 1 HG2 MET 1 83.524 26.465 5.007 8 2HG MET 1 HG1 MET 1 82.936 28.126 5.065 9 1HE MET 1 HE3 MET 1 82.304 29.354 6.724 10 2HE MET 1 HE2 MET 1 81.454 28.559 8.047 11 3HE MET 1 HE1 MET 1 82.996 29.354 8.353 12 H GLU 2 HN GLU 2 81.219 23.465 4.087 13 HA GLU 2 HA GLU 2 79.590 21.779 4.110 14 1HB GLU 2 HB2 GLU 2 79.048 23.178 6.226 15 2HB GLU 2 HB1 GLU 2 77.695 23.806 5.285 16 1HG GLU 2 HG2 GLU 2 77.003 21.425 4.835 17 2HG GLU 2 HG1 GLU 2 78.249 20.908 5.973 18 H THR 3 HN THR 3 79.798 23.274 1.696 19 HA THR 3 HA THR 3 76.968 23.593 0.816 20 HB THR 3 HB THR 3 79.497 24.331 -0.684 21 HG1 THR 3 HG1 THR 3 79.603 25.907 0.675 22 1HG2 THR 3 HG21 THR 3 76.566 24.636 -1.123 23 2HG2 THR 3 HG23 THR 3 77.600 25.983 -1.602 24 3HG2 THR 3 HG22 THR 3 77.859 24.383 -2.296 25 H LEU 4 HN LEU 4 77.700 20.968 1.247 26 HA LEU 4 HA LEU 4 77.924 19.918 -1.535 27 1HB LEU 4 HB2 LEU 4 79.936 19.631 0.219 28 2HB LEU 4 HB1 LEU 4 78.944 18.263 0.726 29 HG LEU 4 HG LEU 4 78.802 17.714 -1.801 30 1HD1 LEU 4 HD12 LEU 4 79.841 19.945 -2.425 31 2HD1 LEU 4 HD11 LEU 4 81.369 19.322 -1.802 32 3HD1 LEU 4 HD13 LEU 4 80.592 18.539 -3.179 33 1HD2 LEU 4 HD23 LEU 4 81.378 17.422 -0.223 34 2HD2 LEU 4 HD22 LEU 4 80.010 16.309 -0.211 35 3HD2 LEU 4 HD21 LEU 4 80.986 16.490 -1.669 36 H VAL 5 HN VAL 5 75.519 20.486 -0.026 37 HA VAL 5 HA VAL 5 74.259 17.854 -0.212 38 HB VAL 5 HB VAL 5 75.162 17.769 2.078 39 1HG1 VAL 5 HG11 VAL 5 74.804 20.463 2.135 40 2HG1 VAL 5 HG13 VAL 5 73.399 19.936 3.062 41 3HG1 VAL 5 HG12 VAL 5 75.021 19.477 3.581 42 1HG2 VAL 5 HG21 VAL 5 72.795 16.921 1.434 43 2HG2 VAL 5 HG23 VAL 5 73.172 17.082 3.150 44 3HG2 VAL 5 HG22 VAL 5 72.205 18.315 2.339 45 H GLN 6 HN GLN 6 73.372 19.409 -1.909 46 HA GLN 6 HA GLN 6 71.434 21.387 -0.869 47 1HB GLN 6 HB2 GLN 6 72.654 20.763 -3.520 48 2HB GLN 6 HB1 GLN 6 71.045 21.486 -3.520 49 1HG GLN 6 HG2 GLN 6 71.780 23.457 -2.534 50 2HG GLN 6 HG1 GLN 6 73.161 22.676 -1.763 51 1HE2 GLN 6 HE22 GLN 6 75.339 23.399 -4.427 52 2HE2 GLN 6 HE21 GLN 6 75.149 22.860 -2.828 53 H ALA 7 HN ALA 7 69.276 21.307 -2.310 54 HA ALA 7 HA ALA 7 67.841 18.982 -1.484 55 1HB ALA 7 HB2 ALA 7 67.243 21.297 -3.303 56 2HB ALA 7 HB1 ALA 7 66.131 19.928 -3.244 57 3HB ALA 7 HB3 ALA 7 66.471 20.851 -1.780 58 NH1 ARG 8 NH2 ARG 8 70.453 13.089 -6.572 59 NH2 ARG 8 NH1 ARG 8 71.348 13.256 -8.640 60 H ARG 8 HN ARG 8 68.583 17.043 -2.313 61 HA ARG 8 HA ARG 8 68.033 16.490 -5.114 62 1HB ARG 8 HB2 ARG 8 70.754 17.063 -4.204 63 2HB ARG 8 HB1 ARG 8 70.625 15.465 -4.936 64 1HG ARG 8 HG2 ARG 8 69.331 17.796 -6.311 65 2HG ARG 8 HG1 ARG 8 71.077 17.582 -6.450 66 1HD ARG 8 HD2 ARG 8 69.051 15.410 -7.059 67 2HD ARG 8 HD1 ARG 8 69.783 16.449 -8.282 68 HE ARG 8 HE ARG 8 72.017 15.484 -7.257 69 1HH1 ARG 8 HH21 ARG 8 70.167 13.517 -5.715 70 2HH1 ARG 8 HH22 ARG 8 70.342 12.103 -6.700 71 1HH2 ARG 8 HH11 ARG 8 71.747 13.813 -9.369 72 2HH2 ARG 8 HH12 ARG 8 71.238 12.270 -8.767 73 H LYS 9 HN LYS 9 70.159 15.035 -2.633 74 HA LYS 9 HA LYS 9 68.881 12.443 -3.030 75 1HB LYS 9 HB2 LYS 9 71.406 13.141 -2.336 76 2HB LYS 9 HB1 LYS 9 70.725 12.839 -0.738 77 1HG LYS 9 HG2 LYS 9 70.085 10.601 -1.344 78 2HG LYS 9 HG1 LYS 9 70.465 10.892 -3.042 79 1HD LYS 9 HD2 LYS 9 72.862 11.453 -2.118 80 2HD LYS 9 HD1 LYS 9 72.337 10.510 -0.724 81 1HE LYS 9 HE2 LYS 9 71.737 9.260 -3.329 82 2HE LYS 9 HE1 LYS 9 73.457 9.434 -2.983 83 1HZ LYS 9 HZ2 LYS 9 72.794 8.507 -0.687 84 2HZ LYS 9 HZ1 LYS 9 71.409 7.939 -1.490 85 3HZ LYS 9 HZ3 LYS 9 72.947 7.435 -1.996 86 NH1 ARG 10 NH2 ARG 10 64.652 16.013 4.876 87 NH2 ARG 10 NH1 ARG 10 66.261 17.519 5.378 88 H ARG 10 HN ARG 10 66.711 13.159 -2.329 89 HA ARG 10 HA ARG 10 66.295 12.646 0.503 90 1HB ARG 10 HB2 ARG 10 66.268 15.385 -0.579 91 2HB ARG 10 HB1 ARG 10 64.807 14.961 0.312 92 1HG ARG 10 HG2 ARG 10 66.522 13.997 2.072 93 2HG ARG 10 HG1 ARG 10 67.641 15.113 1.285 94 1HD ARG 10 HD2 ARG 10 66.224 16.997 1.766 95 2HD ARG 10 HD1 ARG 10 64.917 15.947 2.312 96 HE ARG 10 HE ARG 10 67.459 15.776 3.814 97 1HH1 ARG 10 HH21 ARG 10 64.314 15.265 4.304 98 2HH1 ARG 10 HH22 ARG 10 64.095 16.355 5.633 99 1HH2 ARG 10 HH11 ARG 10 67.155 17.926 5.192 100 2HH2 ARG 10 HH12 ARG 10 65.704 17.862 6.135 101 H LYS 11 HN LYS 11 65.123 10.879 -0.535 102 HA LYS 11 HA LYS 11 62.782 11.554 -2.158 103 1HB LYS 11 HB2 LYS 11 64.242 9.082 -1.408 104 2HB LYS 11 HB1 LYS 11 62.512 8.904 -1.698 105 1HG LYS 11 HG2 LYS 11 63.242 8.667 -3.866 106 2HG LYS 11 HG1 LYS 11 63.122 10.427 -3.823 107 1HD LYS 11 HD2 LYS 11 65.289 10.264 -4.571 108 2HD LYS 11 HD1 LYS 11 65.608 10.165 -2.840 109 1HE LYS 11 HE2 LYS 11 66.645 8.208 -3.300 110 2HE LYS 11 HE1 LYS 11 65.030 7.536 -3.517 111 1HZ LYS 11 HZ3 LYS 11 65.216 8.397 -5.880 112 2HZ LYS 11 HZ2 LYS 11 66.877 8.581 -5.575 113 3HZ LYS 11 HZ1 LYS 11 66.160 7.044 -5.481 114 NH1 ARG 12 NH1 ARG 12 61.342 12.180 5.483 115 NH2 ARG 12 NH2 ARG 12 61.793 14.234 6.313 116 H ARG 12 HN ARG 12 61.294 12.593 -0.818 117 HA ARG 12 HA ARG 12 59.869 10.889 1.098 118 1HB ARG 12 HB2 ARG 12 60.053 12.602 2.938 119 2HB ARG 12 HB1 ARG 12 61.561 11.754 2.596 120 1HG ARG 12 HG2 ARG 12 62.487 13.607 1.464 121 2HG ARG 12 HG1 ARG 12 60.913 14.372 1.248 122 1HD ARG 12 HD2 ARG 12 62.293 15.451 3.041 123 2HD ARG 12 HD1 ARG 12 60.750 14.833 3.628 124 HE ARG 12 HE ARG 12 63.338 13.380 4.015 125 1HH1 ARG 12 HH11 ARG 12 61.390 11.518 4.735 126 2HH1 ARG 12 HH12 ARG 12 60.900 11.929 6.345 127 1HH2 ARG 12 HH21 ARG 12 62.187 15.146 6.200 128 2HH2 ARG 12 HH22 ARG 12 61.351 13.983 7.174 129 H THR 13 HN THR 13 59.206 12.167 -1.403 130 HA THR 13 HA THR 13 57.598 14.539 -0.803 131 HB THR 13 HB THR 13 57.400 12.800 -3.272 132 HG1 THR 13 HG1 THR 13 59.478 13.256 -3.346 133 1HG2 THR 13 HG23 THR 13 55.938 14.965 -2.528 134 2HG2 THR 13 HG22 THR 13 57.273 15.757 -3.365 135 3HG2 THR 13 HG21 THR 13 56.290 14.560 -4.208 136 H SER 14 HN SER 14 57.117 11.081 -1.181 137 HA SER 14 HA SER 14 54.566 11.248 0.228 138 1HB SER 14 HB2 SER 14 54.726 10.708 -2.707 139 2HB SER 14 HB1 SER 14 53.584 9.758 -1.761 140 HG SER 14 HG SER 14 53.579 12.442 -2.412 141 H ILE 15 HN ILE 15 57.208 10.040 0.547 142 HA ILE 15 HA ILE 15 56.323 7.318 1.208 143 HB ILE 15 HB ILE 15 58.604 7.855 -0.715 144 1HG1 ILE 15 HG12 ILE 15 56.339 7.610 -1.704 145 2HG1 ILE 15 HG11 ILE 15 57.384 6.265 -2.146 146 1HG2 ILE 15 HG22 ILE 15 58.198 5.661 1.225 147 2HG2 ILE 15 HG21 ILE 15 58.510 5.122 -0.424 148 3HG2 ILE 15 HG23 ILE 15 59.669 6.168 0.396 149 1HD1 ILE 15 HD11 ILE 15 56.155 5.495 0.283 150 2HD1 ILE 15 HD13 ILE 15 54.872 6.202 -0.701 151 3HD1 ILE 15 HD12 ILE 15 55.827 4.860 -1.327 152 H GLU 16 HN GLU 16 56.589 8.606 3.257 153 HA GLU 16 HA GLU 16 59.174 9.411 4.172 154 1HB GLU 16 HB2 GLU 16 56.865 9.995 5.172 155 2HB GLU 16 HB1 GLU 16 56.949 8.418 5.956 156 1HG GLU 16 HG2 GLU 16 58.807 9.017 7.255 157 2HG GLU 16 HG1 GLU 16 59.255 10.337 6.175 158 H ASN 17 HN ASN 17 60.546 8.234 5.657 159 HA ASN 17 HA ASN 17 60.983 5.513 4.956 160 1HB ASN 17 HB2 ASN 17 62.564 7.255 6.137 161 2HB ASN 17 HB1 ASN 17 61.875 6.593 7.619 162 1HD2 ASN 17 HD22 ASN 17 63.920 3.742 7.501 163 2HD2 ASN 17 HD21 ASN 17 62.956 4.792 8.422 164 NH1 ARG 18 NH1 ARG 18 58.473 8.417 13.886 165 NH2 ARG 18 NH2 ARG 18 56.215 8.364 13.989 166 H ARG 18 HN ARG 18 58.867 6.962 7.305 167 HA ARG 18 HA ARG 18 58.458 4.468 8.787 168 1HB ARG 18 HB2 ARG 18 56.966 7.110 8.825 169 2HB ARG 18 HB1 ARG 18 56.651 5.763 9.920 170 1HG ARG 18 HG2 ARG 18 58.834 5.920 10.889 171 2HG ARG 18 HG1 ARG 18 59.384 7.028 9.632 172 1HD ARG 18 HD2 ARG 18 58.923 8.474 11.422 173 2HD ARG 18 HD1 ARG 18 57.441 8.555 10.469 174 HE ARG 18 HE ARG 18 56.750 6.604 12.159 175 1HH1 ARG 18 HH11 ARG 18 59.323 8.190 13.411 176 2HH1 ARG 18 HH12 ARG 18 58.501 8.912 14.754 177 1HH2 ARG 18 HH21 ARG 18 55.336 8.097 13.593 178 2HH2 ARG 18 HH22 ARG 18 56.242 8.859 14.857 179 H VAL 19 HN VAL 19 56.981 6.207 6.102 180 HA VAL 19 HA VAL 19 54.519 4.747 6.085 181 HB VAL 19 HB VAL 19 55.367 6.910 4.672 182 1HG1 VAL 19 HG11 VAL 19 55.582 4.580 2.743 183 2HG1 VAL 19 HG13 VAL 19 55.250 6.227 2.238 184 3HG1 VAL 19 HG12 VAL 19 56.769 5.849 3.044 185 1HG2 VAL 19 HG21 VAL 19 53.203 4.911 3.983 186 2HG2 VAL 19 HG23 VAL 19 53.057 6.317 5.038 187 3HG2 VAL 19 HG22 VAL 19 53.284 6.535 3.302 188 NH1 ARG 20 NH2 ARG 20 62.893 4.815 1.613 189 NH2 ARG 20 NH1 ARG 20 62.181 5.198 -0.498 190 H ARG 20 HN ARG 20 57.614 4.207 4.428 191 HA ARG 20 HA ARG 20 56.787 1.861 3.017 192 1HB ARG 20 HB2 ARG 20 59.525 2.636 4.062 193 2HB ARG 20 HB1 ARG 20 59.228 1.324 2.921 194 1HG ARG 20 HG2 ARG 20 58.847 2.748 1.177 195 2HG ARG 20 HG1 ARG 20 58.030 3.935 2.193 196 1HD ARG 20 HD2 ARG 20 59.908 5.169 2.268 197 2HD ARG 20 HD1 ARG 20 60.776 3.823 3.004 198 HE ARG 20 HE ARG 20 60.643 3.266 0.246 199 1HH1 ARG 20 HH21 ARG 20 62.758 4.393 2.509 200 2HH1 ARG 20 HH22 ARG 20 63.710 5.364 1.437 201 1HH2 ARG 20 HH11 ARG 20 61.500 5.070 -1.219 202 2HH2 ARG 20 HH12 ARG 20 62.998 5.748 -0.674 203 CH2 TRP 21 CH2 TRP 21 61.616 -1.596 3.807 204 H TRP 21 HN TRP 21 58.179 2.255 6.253 205 HA TRP 21 HA TRP 21 57.935 -0.624 6.675 206 1HB TRP 21 HB2 TRP 21 58.877 1.495 8.607 207 2HB TRP 21 HB1 TRP 21 59.036 -0.258 8.818 208 HD1 TRP 21 HD1 TRP 21 61.380 2.161 8.121 209 HE1 TRP 21 HE1 TRP 21 63.041 1.609 6.220 210 HE3 TRP 21 HE3 TRP 21 58.927 -1.711 5.840 211 HZ2 TRP 21 HZ2 TRP 21 63.254 -0.225 3.984 212 HZ3 TRP 21 HZ3 TRP 21 59.832 -2.790 3.862 213 HH2 TRP 21 HH2 TRP 21 62.020 -2.098 2.941 214 H SER 22 HN SER 22 55.777 1.806 6.692 215 HA SER 22 HA SER 22 54.073 0.785 8.844 216 1HB SER 22 HB2 SER 22 53.866 3.177 8.207 217 2HB SER 22 HB1 SER 22 53.514 2.706 6.546 218 HG SER 22 HG SER 22 51.524 2.694 7.231 219 H LEU 23 HN LEU 23 54.612 0.590 5.357 220 HA LEU 23 HA LEU 23 52.435 -1.080 4.552 221 1HB LEU 23 HB2 LEU 23 55.329 -1.154 3.648 222 2HB LEU 23 HB1 LEU 23 54.006 -1.901 2.795 223 HG LEU 23 HG LEU 23 53.957 1.048 3.316 224 1HD1 LEU 23 HD13 LEU 23 56.198 0.029 2.283 225 2HD1 LEU 23 HD12 LEU 23 55.209 -0.096 0.829 226 3HD1 LEU 23 HD11 LEU 23 55.475 1.474 1.583 227 1HD2 LEU 23 HD22 LEU 23 52.011 -0.260 2.309 228 2HD2 LEU 23 HD21 LEU 23 52.626 1.040 1.291 229 3HD2 LEU 23 HD23 LEU 23 53.065 -0.630 0.944 230 H GLU 24 HN GLU 24 55.718 -1.762 5.677 231 HA GLU 24 HA GLU 24 55.609 -4.591 5.735 232 1HB GLU 24 HB2 GLU 24 57.391 -2.549 6.592 233 2HB GLU 24 HB1 GLU 24 57.165 -3.623 7.964 234 1HG GLU 24 HG2 GLU 24 57.530 -5.534 6.227 235 2HG GLU 24 HG1 GLU 24 58.245 -4.267 5.229 236 H THR 25 HN THR 25 54.342 -2.226 7.990 237 HA THR 25 HA THR 25 53.942 -4.021 10.202 238 HB THR 25 HB THR 25 52.343 -1.543 9.493 239 HG1 THR 25 HG1 THR 25 54.694 -1.832 11.052 240 1HG2 THR 25 HG21 THR 25 52.731 -3.180 11.993 241 2HG2 THR 25 HG23 THR 25 52.244 -1.487 12.077 242 3HG2 THR 25 HG22 THR 25 51.222 -2.658 11.243 243 H MET 26 HN MET 26 52.005 -3.099 7.399 244 HA MET 26 HA MET 26 49.714 -4.722 8.274 245 1HB MET 26 HB2 MET 26 50.320 -2.895 6.012 246 2HB MET 26 HB1 MET 26 49.137 -4.165 5.695 247 1HG MET 26 HG2 MET 26 47.946 -3.462 7.811 248 2HG MET 26 HG1 MET 26 49.035 -2.077 7.887 249 1HE MET 26 HE3 MET 26 47.715 -0.089 7.615 250 2HE MET 26 HE2 MET 26 46.231 0.039 6.675 251 3HE MET 26 HE1 MET 26 46.332 -1.123 7.996 252 H PHE 27 HN PHE 27 52.550 -5.270 6.291 253 HA PHE 27 HA PHE 27 51.354 -7.664 5.037 254 1HB PHE 27 HB2 PHE 27 54.094 -6.383 4.761 255 2HB PHE 27 HB1 PHE 27 53.634 -7.885 3.965 256 HD1 PHE 27 HD2 PHE 27 51.092 -7.671 2.899 257 HD2 PHE 27 HD1 PHE 27 53.953 -4.505 3.389 258 HE1 PHE 27 HE2 PHE 27 49.992 -6.396 1.078 259 HE2 PHE 27 HE1 PHE 27 52.853 -3.230 1.569 260 HZ PHE 27 HZ PHE 27 50.875 -4.177 0.413 261 H LEU 28 HN LEU 28 53.274 -6.895 7.805 262 HA LEU 28 HA LEU 28 54.348 -9.631 8.018 263 1HB LEU 28 HB2 LEU 28 54.668 -7.174 9.758 264 2HB LEU 28 HB1 LEU 28 55.416 -8.735 10.109 265 HG LEU 28 HG LEU 28 55.791 -7.230 7.504 266 1HD1 LEU 28 HD12 LEU 28 57.194 -7.076 10.120 267 2HD1 LEU 28 HD11 LEU 28 58.218 -7.154 8.686 268 3HD1 LEU 28 HD13 LEU 28 57.034 -5.858 8.855 269 1HD2 LEU 28 HD23 LEU 28 56.991 -9.723 8.726 270 2HD2 LEU 28 HD22 LEU 28 56.190 -9.554 7.164 271 3HD2 LEU 28 HD21 LEU 28 57.787 -8.850 7.416 272 H LYS 29 HN LYS 29 51.367 -8.460 8.557 273 HA LYS 29 HA LYS 29 50.993 -9.832 11.170 274 1HB LYS 29 HB2 LYS 29 48.785 -8.781 11.228 275 2HB LYS 29 HB1 LYS 29 49.999 -7.550 10.900 276 1HG LYS 29 HG2 LYS 29 49.446 -8.087 8.376 277 2HG LYS 29 HG1 LYS 29 47.945 -8.725 9.046 278 1HD LYS 29 HD2 LYS 29 48.988 -5.965 9.720 279 2HD LYS 29 HD1 LYS 29 47.896 -6.264 8.369 280 1HE LYS 29 HE2 LYS 29 46.974 -7.532 10.842 281 2HE LYS 29 HE1 LYS 29 47.128 -5.782 10.996 282 1HZ LYS 29 HZ2 LYS 29 45.939 -5.777 8.719 283 2HZ LYS 29 HZ1 LYS 29 45.439 -7.340 9.161 284 3HZ LYS 29 HZ3 LYS 29 45.027 -6.013 10.133 285 H CYS 30 HN CYS 30 50.032 -9.881 7.793 286 HA CYS 30 HA CYS 30 49.198 -12.693 8.104 287 1HB CYS 30 HB2 CYS 30 47.505 -10.408 7.185 288 2HB CYS 30 HB1 CYS 30 47.335 -11.944 6.334 289 HG CYS 30 HG CYS 30 46.867 -11.638 9.416 290 HA PRO 31 HA PRO 31 51.628 -12.608 4.306 291 1HB PRO 31 HB2 PRO 31 51.629 -15.303 3.843 292 2HB PRO 31 HB1 PRO 31 52.640 -14.550 5.090 293 1HG PRO 31 HG2 PRO 31 50.183 -16.193 5.411 294 2HG PRO 31 HG1 PRO 31 51.501 -15.911 6.560 295 1HD PRO 31 HD2 PRO 31 48.934 -14.644 6.547 296 2HD PRO 31 HD1 PRO 31 50.315 -14.243 7.588 297 H LYS 32 HN LYS 32 48.472 -12.562 4.366 298 HA LYS 32 HA LYS 32 48.114 -13.746 1.672 299 1HB LYS 32 HB2 LYS 32 45.740 -14.159 2.350 300 2HB LYS 32 HB1 LYS 32 46.910 -15.065 3.312 301 1HG LYS 32 HG2 LYS 32 46.711 -13.562 5.156 302 2HG LYS 32 HG1 LYS 32 45.854 -12.366 4.183 303 1HD LYS 32 HD2 LYS 32 44.754 -15.139 4.689 304 2HD LYS 32 HD1 LYS 32 44.401 -13.770 5.744 305 1HE LYS 32 HE2 LYS 32 43.594 -12.520 3.700 306 2HE LYS 32 HE1 LYS 32 43.746 -14.029 2.798 307 1HZ LYS 32 HZ1 LYS 32 42.323 -14.985 4.694 308 2HZ LYS 32 HZ3 LYS 32 41.913 -13.370 5.011 309 3HZ LYS 32 HZ2 LYS 32 41.561 -14.053 3.496 310 HA PRO 33 HA PRO 33 46.789 -9.209 1.778 311 1HB PRO 33 HB2 PRO 33 48.728 -8.172 0.127 312 2HB PRO 33 HB1 PRO 33 48.863 -8.202 1.894 313 1HG PRO 33 HG2 PRO 33 50.218 -9.930 -0.126 314 2HG PRO 33 HG1 PRO 33 50.772 -9.436 1.482 315 1HD PRO 33 HD2 PRO 33 49.687 -11.957 0.853 316 2HD PRO 33 HD1 PRO 33 49.835 -11.277 2.488 317 H SER 34 HN SER 34 45.298 -8.700 0.210 318 HA SER 34 HA SER 34 45.254 -10.305 -2.253 319 1HB SER 34 HB2 SER 34 43.009 -9.157 -2.537 320 2HB SER 34 HB1 SER 34 43.160 -10.195 -1.123 321 HG SER 34 HG SER 34 42.272 -8.180 -0.565 322 H LEU 35 HN LEU 35 45.019 -9.344 -4.350 323 HA LEU 35 HA LEU 35 46.728 -7.092 -4.843 324 1HB LEU 35 HB2 LEU 35 44.553 -8.367 -6.533 325 2HB LEU 35 HB1 LEU 35 45.635 -7.106 -7.124 326 HG LEU 35 HG LEU 35 47.079 -9.282 -5.793 327 1HD1 LEU 35 HD13 LEU 35 45.280 -9.881 -8.146 328 2HD1 LEU 35 HD12 LEU 35 46.737 -10.820 -7.824 329 3HD1 LEU 35 HD11 LEU 35 45.435 -10.777 -6.635 330 1HD2 LEU 35 HD21 LEU 35 47.723 -7.326 -7.518 331 2HD2 LEU 35 HD23 LEU 35 48.629 -8.838 -7.442 332 3HD2 LEU 35 HD22 LEU 35 47.399 -8.609 -8.684 333 H GLN 36 HN GLN 36 43.413 -7.417 -3.864 334 HA GLN 36 HA GLN 36 42.521 -4.772 -4.701 335 1HB GLN 36 HB2 GLN 36 41.231 -6.989 -3.743 336 2HB GLN 36 HB1 GLN 36 41.294 -5.995 -2.289 337 1HG GLN 36 HG2 GLN 36 39.423 -5.018 -3.133 338 2HG GLN 36 HG1 GLN 36 40.550 -4.141 -4.169 339 1HE2 GLN 36 HE22 GLN 36 38.319 -7.198 -5.760 340 2HE2 GLN 36 HE21 GLN 36 38.477 -7.065 -4.075 341 H GLN 37 HN GLN 37 43.910 -6.221 -1.785 342 HA GLN 37 HA GLN 37 43.890 -3.776 -0.236 343 1HB GLN 37 HB2 GLN 37 44.047 -5.995 0.850 344 2HB GLN 37 HB1 GLN 37 45.609 -6.261 0.077 345 1HG GLN 37 HG2 GLN 37 46.701 -4.992 1.610 346 2HG GLN 37 HG1 GLN 37 45.507 -3.698 1.504 347 1HE2 GLN 37 HE22 GLN 37 44.276 -4.561 4.682 348 2HE2 GLN 37 HE21 GLN 37 44.744 -3.342 3.598 349 H ILE 38 HN ILE 38 45.917 -5.019 -2.786 350 HA ILE 38 HA ILE 38 48.255 -3.455 -2.061 351 HB ILE 38 HB ILE 38 47.468 -4.929 -4.587 352 1HG1 ILE 38 HG12 ILE 38 48.149 -6.295 -2.654 353 2HG1 ILE 38 HG11 ILE 38 49.375 -6.369 -3.917 354 1HG2 ILE 38 HG22 ILE 38 49.753 -3.040 -4.079 355 2HG2 ILE 38 HG21 ILE 38 50.043 -4.470 -5.070 356 3HG2 ILE 38 HG23 ILE 38 48.825 -3.290 -5.558 357 1HD1 ILE 38 HD13 ILE 38 50.181 -4.178 -2.418 358 2HD1 ILE 38 HD12 ILE 38 49.569 -5.285 -1.190 359 3HD1 ILE 38 HD11 ILE 38 50.852 -5.803 -2.283 360 H THR 39 HN THR 39 45.395 -3.044 -4.038 361 HA THR 39 HA THR 39 46.194 -0.545 -5.267 362 HB THR 39 HB THR 39 43.436 -0.377 -5.096 363 HG1 THR 39 HG1 THR 39 42.608 -2.296 -4.892 364 1HG2 THR 39 HG22 THR 39 45.418 -1.352 -7.058 365 2HG2 THR 39 HG21 THR 39 43.761 -1.883 -7.343 366 3HG2 THR 39 HG23 THR 39 44.131 -0.161 -7.248 367 H HIS 40 HN HIS 40 44.261 -1.391 -2.417 368 HA HIS 40 HA HIS 40 43.927 1.325 -1.496 369 1HB HIS 40 HB2 HIS 40 42.749 -1.001 -0.805 370 2HB HIS 40 HB1 HIS 40 43.955 -0.907 0.479 371 HD1 HIS 40 HD1 HIS 40 40.606 -0.015 -0.009 372 HD2 HIS 40 HD2 HIS 40 43.889 2.093 1.458 373 HE1 HIS 40 HE1 HIS 40 39.673 1.917 1.336 374 H ILE 41 HN ILE 41 46.540 -0.946 -1.392 375 HA ILE 41 HA ILE 41 47.932 0.084 0.924 376 HB ILE 41 HB ILE 41 48.266 -1.975 -1.007 377 1HG1 ILE 41 HG12 ILE 41 50.429 -2.261 0.692 378 2HG1 ILE 41 HG11 ILE 41 49.326 -1.259 1.636 379 1HG2 ILE 41 HG21 ILE 41 50.677 -0.173 -0.932 380 2HG2 ILE 41 HG23 ILE 41 50.721 -1.855 -1.464 381 3HG2 ILE 41 HG22 ILE 41 49.758 -0.674 -2.352 382 1HD1 ILE 41 HD12 ILE 41 48.326 -3.712 0.198 383 2HD1 ILE 41 HD11 ILE 41 49.078 -3.843 1.788 384 3HD1 ILE 41 HD13 ILE 41 47.614 -2.881 1.581 385 H ALA 42 HN ALA 42 47.959 0.700 -2.526 386 HA ALA 42 HA ALA 42 50.019 2.641 -2.614 387 1HB ALA 42 HB2 ALA 42 48.878 1.481 -4.570 388 2HB ALA 42 HB1 ALA 42 47.543 2.613 -4.348 389 3HB ALA 42 HB3 ALA 42 49.146 3.212 -4.775 390 H ASN 43 HN ASN 43 46.505 3.009 -2.285 391 HA ASN 43 HA ASN 43 46.555 5.851 -1.899 392 1HB ASN 43 HB2 ASN 43 44.525 4.349 -2.419 393 2HB ASN 43 HB1 ASN 43 44.511 3.977 -0.695 394 1HD2 ASN 43 HD22 ASN 43 43.753 7.875 -1.800 395 2HD2 ASN 43 HD21 ASN 43 44.806 6.942 -2.750 396 H GLN 44 HN GLN 44 47.350 3.149 0.140 397 HA GLN 44 HA GLN 44 47.000 4.601 2.622 398 1HB GLN 44 HB2 GLN 44 47.252 2.614 3.666 399 2HB GLN 44 HB1 GLN 44 47.058 1.949 2.059 400 1HG GLN 44 HG2 GLN 44 48.961 0.831 2.769 401 2HG GLN 44 HG1 GLN 44 49.693 2.220 1.972 402 1HE2 GLN 44 HE22 GLN 44 51.245 1.949 5.350 403 2HE2 GLN 44 HE21 GLN 44 51.178 0.961 3.971 404 H LEU 45 HN LEU 45 49.628 4.290 0.337 405 HA LEU 45 HA LEU 45 51.162 6.081 2.159 406 1HB LEU 45 HB2 LEU 45 53.229 4.987 1.831 407 2HB LEU 45 HB1 LEU 45 52.078 3.701 2.163 408 HG LEU 45 HG LEU 45 52.821 4.517 -0.646 409 1HD1 LEU 45 HD12 LEU 45 54.504 3.272 1.287 410 2HD1 LEU 45 HD11 LEU 45 53.989 2.015 0.165 411 3HD1 LEU 45 HD13 LEU 45 54.797 3.458 -0.437 412 1HD2 LEU 45 HD23 LEU 45 51.224 2.396 0.693 413 2HD2 LEU 45 HD22 LEU 45 50.933 3.222 -0.837 414 3HD2 LEU 45 HD21 LEU 45 52.135 1.935 -0.742 415 H GLY 46 HN GLY 46 49.470 6.423 -0.335 416 1HA GLY 46 HA2 GLY 46 49.496 7.696 -2.295 417 2HA GLY 46 HA1 GLY 46 50.646 8.682 -1.408 418 H LEU 47 HN LEU 47 51.472 5.366 -2.322 419 HA LEU 47 HA LEU 47 53.458 6.557 -4.204 420 1HB LEU 47 HB2 LEU 47 55.001 4.995 -3.586 421 2HB LEU 47 HB1 LEU 47 54.010 4.875 -2.149 422 HG LEU 47 HG LEU 47 53.990 3.048 -4.548 423 1HD1 LEU 47 HD12 LEU 47 55.556 3.013 -2.265 424 2HD1 LEU 47 HD11 LEU 47 54.256 1.892 -1.868 425 3HD1 LEU 47 HD13 LEU 47 55.239 1.627 -3.304 426 1HD2 LEU 47 HD23 LEU 47 51.932 3.542 -2.525 427 2HD2 LEU 47 HD22 LEU 47 51.798 2.740 -4.081 428 3HD2 LEU 47 HD21 LEU 47 52.377 1.853 -2.679 429 H GLU 48 HN GLU 48 54.056 4.791 -5.994 430 HA GLU 48 HA GLU 48 51.524 4.310 -7.455 431 1HB GLU 48 HB2 GLU 48 53.107 3.713 -9.349 432 2HB GLU 48 HB1 GLU 48 53.232 5.371 -8.774 433 1HG GLU 48 HG2 GLU 48 54.980 3.485 -7.340 434 2HG GLU 48 HG1 GLU 48 55.352 3.635 -9.057 435 H LYS 49 HN LYS 49 52.020 2.124 -8.980 436 HA LYS 49 HA LYS 49 52.048 -0.045 -6.973 437 1HB LYS 49 HB2 LYS 49 51.446 -0.090 -9.943 438 2HB LYS 49 HB1 LYS 49 51.280 -1.464 -8.851 439 1HG LYS 49 HG2 LYS 49 49.246 -0.758 -8.190 440 2HG LYS 49 HG1 LYS 49 49.899 0.812 -7.730 441 1HD LYS 49 HD2 LYS 49 49.688 1.603 -10.044 442 2HD LYS 49 HD1 LYS 49 49.085 0.023 -10.543 443 1HE LYS 49 HE2 LYS 49 47.740 1.690 -8.406 444 2HE LYS 49 HE1 LYS 49 47.296 1.779 -10.110 445 1HZ LYS 49 HZ3 LYS 49 46.957 -0.668 -10.025 446 2HZ LYS 49 HZ2 LYS 49 47.173 -0.599 -8.341 447 3HZ LYS 49 HZ1 LYS 49 45.870 0.214 -9.067 448 H ASP 50 HN ASP 50 54.288 1.482 -9.033 449 HA ASP 50 HA ASP 50 55.853 -0.905 -9.666 450 1HB ASP 50 HB2 ASP 50 56.018 2.008 -10.229 451 2HB ASP 50 HB1 ASP 50 57.556 1.148 -10.152 452 H VAL 51 HN VAL 51 56.123 1.846 -7.362 453 HA VAL 51 HA VAL 51 58.564 0.690 -6.219 454 HB VAL 51 HB VAL 51 58.211 3.150 -6.239 455 1HG1 VAL 51 HG12 VAL 51 55.670 2.362 -5.079 456 2HG1 VAL 51 HG11 VAL 51 56.477 3.553 -4.061 457 3HG1 VAL 51 HG13 VAL 51 56.143 3.916 -5.755 458 1HG2 VAL 51 HG22 VAL 51 59.638 2.037 -4.511 459 2HG2 VAL 51 HG21 VAL 51 58.922 3.543 -3.938 460 3HG2 VAL 51 HG23 VAL 51 58.243 1.996 -3.433 461 H VAL 52 HN VAL 52 55.126 0.396 -5.768 462 HA VAL 52 HA VAL 52 55.346 -0.642 -3.046 463 HB VAL 52 HB VAL 52 53.291 0.508 -4.341 464 1HG1 VAL 52 HG11 VAL 52 53.098 -1.468 -5.923 465 2HG1 VAL 52 HG13 VAL 52 52.543 -2.409 -4.537 466 3HG1 VAL 52 HG12 VAL 52 51.616 -1.011 -5.082 467 1HG2 VAL 52 HG22 VAL 52 53.659 -0.371 -1.892 468 2HG2 VAL 52 HG21 VAL 52 52.037 -0.011 -2.470 469 3HG2 VAL 52 HG23 VAL 52 52.599 -1.678 -2.417 470 NH1 ARG 53 NH2 ARG 53 57.434 -9.278 -8.652 471 NH2 ARG 53 NH1 ARG 53 58.342 -7.908 -10.204 472 H ARG 53 HN ARG 53 55.246 -1.964 -6.310 473 HA ARG 53 HA ARG 53 54.946 -4.727 -5.415 474 1HB ARG 53 HB2 ARG 53 54.301 -3.759 -7.715 475 2HB ARG 53 HB1 ARG 53 56.021 -3.854 -8.099 476 1HG ARG 53 HG2 ARG 53 54.579 -6.244 -6.966 477 2HG ARG 53 HG1 ARG 53 54.501 -5.890 -8.692 478 1HD ARG 53 HD2 ARG 53 57.197 -5.613 -8.163 479 2HD ARG 53 HD1 ARG 53 56.737 -6.941 -7.097 480 HE ARG 53 HE ARG 53 55.680 -7.281 -9.781 481 1HH1 ARG 53 HH21 ARG 53 56.715 -9.476 -7.986 482 2HH1 ARG 53 HH22 ARG 53 58.178 -9.931 -8.794 483 1HH2 ARG 53 HH11 ARG 53 58.318 -7.056 -10.728 484 2HH2 ARG 53 HH12 ARG 53 59.085 -8.561 -10.345 485 H VAL 54 HN VAL 54 57.647 -2.685 -6.521 486 HA VAL 54 HA VAL 54 59.627 -4.785 -6.308 487 HB VAL 54 HB VAL 54 59.989 -1.770 -6.242 488 1HG1 VAL 54 HG13 VAL 54 61.922 -4.031 -6.851 489 2HG1 VAL 54 HG12 VAL 54 62.282 -2.314 -7.037 490 3HG1 VAL 54 HG11 VAL 54 61.966 -2.980 -5.435 491 1HG2 VAL 54 HG23 VAL 54 58.788 -2.728 -8.260 492 2HG2 VAL 54 HG22 VAL 54 60.307 -1.911 -8.628 493 3HG2 VAL 54 HG21 VAL 54 60.241 -3.673 -8.588 494 CH2 TRP 55 CH2 TRP 55 56.372 -3.159 2.996 495 H TRP 55 HN TRP 55 58.378 -2.305 -4.135 496 HA TRP 55 HA TRP 55 60.332 -2.718 -2.050 497 1HB TRP 55 HB2 TRP 55 59.065 -0.644 -2.097 498 2HB TRP 55 HB1 TRP 55 57.539 -1.518 -2.026 499 HD1 TRP 55 HD1 TRP 55 60.341 -0.185 0.172 500 HE1 TRP 55 HE1 TRP 55 59.727 -0.586 2.608 501 HE3 TRP 55 HE3 TRP 55 56.256 -3.222 -0.394 502 HZ2 TRP 55 HZ2 TRP 55 57.823 -2.076 4.164 503 HZ3 TRP 55 HZ3 TRP 55 55.062 -4.113 1.577 504 HH2 TRP 55 HH2 TRP 55 55.852 -3.552 3.854 505 H PHE 56 HN PHE 56 57.212 -4.227 -2.839 506 HA PHE 56 HA PHE 56 57.416 -5.853 -0.391 507 1HB PHE 56 HB2 PHE 56 55.185 -4.952 -1.396 508 2HB PHE 56 HB1 PHE 56 55.325 -6.332 -2.489 509 HD1 PHE 56 HD1 PHE 56 56.154 -5.852 1.149 510 HD2 PHE 56 HD2 PHE 56 53.932 -8.081 -1.772 511 HE1 PHE 56 HE1 PHE 56 55.337 -7.355 2.929 512 HE2 PHE 56 HE2 PHE 56 53.116 -9.593 0.018 513 HZ PHE 56 HZ PHE 56 53.827 -9.225 2.370 514 H CYS 57 HN CYS 57 58.640 -6.026 -3.530 515 HA CYS 57 HA CYS 57 58.406 -8.884 -3.942 516 1HB CYS 57 HB2 CYS 57 58.942 -7.213 -5.765 517 2HB CYS 57 HB1 CYS 57 60.534 -7.013 -5.033 518 HG CYS 57 HG CYS 57 59.968 -9.134 -6.950 519 H ASN 58 HN ASN 58 60.764 -6.718 -2.454 520 HA ASN 58 HA ASN 58 62.601 -8.888 -1.768 521 1HB ASN 58 HB2 ASN 58 63.081 -6.301 -2.053 522 2HB ASN 58 HB1 ASN 58 62.579 -6.230 -0.364 523 1HD2 ASN 58 HD22 ASN 58 65.372 -8.261 0.758 524 2HD2 ASN 58 HD21 ASN 58 63.721 -8.017 1.064 525 NH1 ARG 59 NH1 ARG 59 62.840 -4.898 4.006 526 NH2 ARG 59 NH2 ARG 59 63.075 -7.047 4.666 527 H ARG 59 HN ARG 59 60.063 -6.973 -0.193 528 HA ARG 59 HA ARG 59 60.375 -8.058 2.443 529 1HB ARG 59 HB2 ARG 59 58.552 -6.312 1.094 530 2HB ARG 59 HB1 ARG 59 57.592 -7.525 1.942 531 1HG ARG 59 HG2 ARG 59 58.061 -5.543 3.357 532 2HG ARG 59 HG1 ARG 59 58.756 -7.015 4.033 533 1HD ARG 59 HD2 ARG 59 60.704 -5.879 2.279 534 2HD ARG 59 HD1 ARG 59 60.099 -4.590 3.309 535 HE ARG 59 HE ARG 59 60.570 -6.635 5.093 536 1HH1 ARG 59 HH11 ARG 59 62.252 -4.129 3.755 537 2HH1 ARG 59 HH12 ARG 59 63.834 -4.789 4.001 538 1HH2 ARG 59 HH21 ARG 59 62.668 -7.925 4.921 539 2HH2 ARG 59 HH22 ARG 59 64.069 -6.940 4.662 540 NH1 ARG 60 NH1 ARG 60 57.349 -12.805 -3.985 541 NH2 ARG 60 NH2 ARG 60 56.682 -10.985 -5.148 542 H ARG 60 HN ARG 60 59.056 -9.424 -0.478 543 HA ARG 60 HA ARG 60 57.575 -11.531 0.957 544 1HB ARG 60 HB2 ARG 60 58.062 -10.856 -1.941 545 2HB ARG 60 HB1 ARG 60 57.403 -12.427 -1.486 546 1HG ARG 60 HG2 ARG 60 55.456 -11.478 -0.556 547 2HG ARG 60 HG1 ARG 60 56.190 -9.879 -0.423 548 1HD ARG 60 HD2 ARG 60 54.560 -10.025 -2.307 549 2HD ARG 60 HD1 ARG 60 56.191 -9.636 -2.854 550 HE ARG 60 HE ARG 60 54.834 -12.257 -3.215 551 1HH1 ARG 60 HH11 ARG 60 57.234 -13.430 -3.212 552 2HH1 ARG 60 HH12 ARG 60 58.090 -12.952 -4.640 553 1HH2 ARG 60 HH21 ARG 60 56.055 -10.215 -5.266 554 2HH2 ARG 60 HH22 ARG 60 57.424 -11.131 -5.802 555 H GLN 61 HN GLN 61 60.544 -11.161 -0.949 556 HA GLN 61 HA GLN 61 61.499 -13.755 0.190 557 1HB GLN 61 HB2 GLN 61 62.713 -14.111 -2.006 558 2HB GLN 61 HB1 GLN 61 60.958 -14.253 -2.109 559 1HG GLN 61 HG2 GLN 61 60.760 -12.032 -3.032 560 2HG GLN 61 HG1 GLN 61 62.466 -11.700 -2.732 561 1HE2 GLN 61 HE22 GLN 61 63.597 -13.466 -5.604 562 2HE2 GLN 61 HE21 GLN 61 64.057 -12.743 -4.139 563 H LYS 62 HN LYS 62 62.276 -11.923 1.686 564 HA LYS 62 HA LYS 62 64.545 -10.347 0.729 565 1HB LYS 62 HB2 LYS 62 64.803 -9.789 3.165 566 2HB LYS 62 HB1 LYS 62 63.188 -9.450 2.542 567 1HG LYS 62 HG2 LYS 62 62.217 -11.178 3.721 568 2HG LYS 62 HG1 LYS 62 63.680 -12.162 3.690 569 1HD LYS 62 HD2 LYS 62 64.699 -10.373 5.245 570 2HD LYS 62 HD1 LYS 62 63.044 -9.815 5.480 571 1HE LYS 62 HE2 LYS 62 62.551 -11.550 6.844 572 2HE LYS 62 HE1 LYS 62 63.285 -12.722 5.749 573 1HZ LYS 62 HZ1 LYS 62 64.756 -10.967 7.641 574 2HZ LYS 62 HZ3 LYS 62 64.457 -12.622 7.859 575 3HZ LYS 62 HZ2 LYS 62 65.458 -12.101 6.588 576 H GLY 63 HN GLY 63 64.031 -13.513 2.087 577 1HA GLY 63 HA2 GLY 63 66.856 -14.152 1.719 578 2HA GLY 63 HA1 GLY 63 66.315 -14.218 3.397 579 H LYS 64 HN LYS 64 64.592 -15.122 0.413 580 HA LYS 64 HA LYS 64 64.093 -17.796 1.634 581 1HB LYS 64 HB2 LYS 64 62.591 -16.014 -0.208 582 2HB LYS 64 HB1 LYS 64 62.484 -17.740 -0.556 583 1HG LYS 64 HG2 LYS 64 61.503 -18.231 1.513 584 2HG LYS 64 HG1 LYS 64 62.106 -16.751 2.260 585 1HD LYS 64 HD2 LYS 64 60.443 -15.433 1.315 586 2HD LYS 64 HD1 LYS 64 60.211 -16.525 -0.051 587 1HE LYS 64 HE2 LYS 64 59.600 -17.615 2.650 588 2HE LYS 64 HE1 LYS 64 58.480 -16.414 2.007 589 1HZ LYS 64 HZ1 LYS 64 58.603 -17.841 -0.112 590 2HZ LYS 64 HZ3 LYS 64 59.193 -19.056 0.914 591 3HZ LYS 64 HZ2 LYS 64 57.654 -18.389 1.187 592 NH1 ARG 65 NH1 ARG 65 66.376 -13.868 -5.829 593 NH2 ARG 65 NH2 ARG 65 68.602 -14.225 -6.003 594 H ARG 65 HN ARG 65 66.645 -17.142 0.406 595 HA ARG 65 HA ARG 65 66.563 -19.012 -1.931 596 1HB ARG 65 HB2 ARG 65 67.928 -16.393 -1.547 597 2HB ARG 65 HB1 ARG 65 68.836 -17.644 -2.397 598 1HG ARG 65 HG2 ARG 65 66.485 -17.929 -3.659 599 2HG ARG 65 HG1 ARG 65 66.343 -16.228 -3.212 600 1HD ARG 65 HD2 ARG 65 68.751 -16.003 -4.158 601 2HD ARG 65 HD1 ARG 65 68.427 -17.549 -4.941 602 HE ARG 65 HE ARG 65 66.558 -16.452 -6.138 603 1HH1 ARG 65 HH11 ARG 65 65.452 -14.220 -5.681 604 2HH1 ARG 65 HH12 ARG 65 66.519 -12.892 -5.991 605 1HH2 ARG 65 HH21 ARG 65 69.383 -14.850 -5.989 606 2HH2 ARG 65 HH22 ARG 65 68.746 -13.249 -6.165 607 H SER 66 HN SER 66 66.976 -19.586 0.955 608 HA SER 66 HA SER 66 69.732 -20.734 0.755 609 1HB SER 66 HB2 SER 66 69.866 -19.026 2.428 610 2HB SER 66 HB1 SER 66 68.328 -19.507 3.139 611 HG SER 66 HG SER 66 70.503 -20.257 4.063 612 H SER 67 HN SER 67 68.600 -22.633 -0.136 613 HA SER 67 HA SER 67 67.658 -24.412 2.036 614 1HB SER 67 HB2 SER 67 65.840 -23.158 0.303 615 2HB SER 67 HB1 SER 67 66.013 -24.789 -0.339 616 HG SER 67 HG SER 67 64.619 -24.018 1.750 Start of MODEL 15 Raw file had 616 H/Q atoms Start of MODEL 15 1 1H MET 1 HT3 MET 1 55.570 12.905 12.745 2 2H MET 1 HT2 MET 1 53.947 12.845 13.243 3 3H MET 1 HT1 MET 1 54.465 11.923 11.914 4 HA MET 1 HA MET 1 54.787 13.825 10.574 5 1HB MET 1 HB2 MET 1 52.364 12.981 11.275 6 2HB MET 1 HB1 MET 1 52.271 14.583 12.008 7 1HG MET 1 HG2 MET 1 53.160 15.436 9.717 8 2HG MET 1 HG1 MET 1 52.654 13.860 9.109 9 1HE MET 1 HE1 MET 1 51.913 16.499 8.142 10 2HE MET 1 HE3 MET 1 50.734 15.403 7.406 11 3HE MET 1 HE2 MET 1 50.194 16.879 8.202 12 H GLU 2 HN GLU 2 56.366 15.328 11.077 13 HA GLU 2 HA GLU 2 57.285 17.322 11.899 14 1HB GLU 2 HB2 GLU 2 54.778 17.966 11.174 15 2HB GLU 2 HB1 GLU 2 54.644 18.268 12.906 16 1HG GLU 2 HG2 GLU 2 57.069 19.436 12.315 17 2HG GLU 2 HG1 GLU 2 56.142 19.760 10.851 18 H THR 3 HN THR 3 56.874 14.961 13.686 19 HA THR 3 HA THR 3 56.462 16.239 16.331 20 HB THR 3 HB THR 3 57.116 13.337 15.783 21 HG1 THR 3 HG1 THR 3 54.938 12.992 15.612 22 1HG2 THR 3 HG22 THR 3 57.254 14.328 18.121 23 2HG2 THR 3 HG21 THR 3 55.515 14.602 18.013 24 3HG2 THR 3 HG23 THR 3 56.154 12.960 17.941 25 H LEU 4 HN LEU 4 58.983 14.895 14.292 26 HA LEU 4 HA LEU 4 60.990 14.985 16.443 27 1HB LEU 4 HB2 LEU 4 60.780 13.449 14.210 28 2HB LEU 4 HB1 LEU 4 61.856 14.713 13.616 29 HG LEU 4 HG LEU 4 62.341 13.300 16.243 30 1HD1 LEU 4 HD12 LEU 4 62.273 11.888 13.970 31 2HD1 LEU 4 HD11 LEU 4 63.886 12.579 13.792 32 3HD1 LEU 4 HD13 LEU 4 63.499 11.597 15.205 33 1HD2 LEU 4 HD21 LEU 4 63.777 15.235 14.479 34 2HD2 LEU 4 HD23 LEU 4 63.737 15.138 16.240 35 3HD2 LEU 4 HD22 LEU 4 64.753 14.029 15.318 36 H VAL 5 HN VAL 5 61.897 16.899 16.993 37 HA VAL 5 HA VAL 5 61.925 19.117 15.017 38 HB VAL 5 HB VAL 5 62.636 19.150 17.967 39 1HG1 VAL 5 HG11 VAL 5 63.445 20.979 16.258 40 2HG1 VAL 5 HG13 VAL 5 61.766 21.513 16.326 41 3HG1 VAL 5 HG12 VAL 5 62.741 21.477 17.795 42 1HG2 VAL 5 HG22 VAL 5 60.149 18.642 16.979 43 2HG2 VAL 5 HG21 VAL 5 60.436 19.522 18.479 44 3HG2 VAL 5 HG23 VAL 5 60.130 20.405 16.984 45 H GLN 6 HN GLN 6 64.083 17.174 17.036 46 HA GLN 6 HA GLN 6 66.444 18.488 15.794 47 1HB GLN 6 HB2 GLN 6 67.727 17.154 17.502 48 2HB GLN 6 HB1 GLN 6 66.566 18.278 18.209 49 1HG GLN 6 HG2 GLN 6 65.043 16.558 18.744 50 2HG GLN 6 HG1 GLN 6 65.801 15.420 17.630 51 1HE2 GLN 6 HE22 GLN 6 68.299 14.402 19.940 52 2HE2 GLN 6 HE21 GLN 6 67.782 14.354 18.324 53 H ALA 7 HN ALA 7 65.330 17.188 13.829 54 HA ALA 7 HA ALA 7 65.819 14.370 13.645 55 1HB ALA 7 HB3 ALA 7 65.129 16.562 11.749 56 2HB ALA 7 HB2 ALA 7 65.818 15.092 11.060 57 3HB ALA 7 HB1 ALA 7 64.333 15.010 12.008 58 NH1 ARG 8 NH2 ARG 8 72.927 12.032 16.584 59 NH2 ARG 8 NH1 ARG 8 74.140 13.844 17.183 60 H ARG 8 HN ARG 8 67.836 13.515 13.763 61 HA ARG 8 HA ARG 8 70.191 15.046 12.992 62 1HB ARG 8 HB2 ARG 8 69.802 12.215 13.990 63 2HB ARG 8 HB1 ARG 8 71.384 12.897 13.608 64 1HG ARG 8 HG2 ARG 8 69.528 14.377 15.453 65 2HG ARG 8 HG1 ARG 8 70.498 13.039 16.072 66 1HD ARG 8 HD2 ARG 8 71.624 15.413 14.559 67 2HD ARG 8 HD1 ARG 8 71.632 15.256 16.316 68 HE ARG 8 HE ARG 8 73.383 13.834 14.458 69 1HH1 ARG 8 HH21 ARG 8 72.296 11.582 15.952 70 2HH1 ARG 8 HH22 ARG 8 73.258 11.543 17.392 71 1HH2 ARG 8 HH11 ARG 8 74.439 14.782 17.008 72 2HH2 ARG 8 HH12 ARG 8 74.471 13.356 17.991 73 H LYS 9 HN LYS 9 68.534 12.116 11.828 74 HA LYS 9 HA LYS 9 69.321 12.689 9.092 75 1HB LYS 9 HB2 LYS 9 71.300 11.461 10.296 76 2HB LYS 9 HB1 LYS 9 70.273 10.036 10.143 77 1HG LYS 9 HG2 LYS 9 70.352 10.061 7.812 78 2HG LYS 9 HG1 LYS 9 70.732 11.781 7.745 79 1HD LYS 9 HD2 LYS 9 72.872 11.104 7.402 80 2HD LYS 9 HD1 LYS 9 72.891 10.780 9.135 81 1HE LYS 9 HE2 LYS 9 73.619 8.749 8.168 82 2HE LYS 9 HE1 LYS 9 71.913 8.466 8.515 83 1HZ LYS 9 HZ1 LYS 9 72.961 9.387 5.895 84 2HZ LYS 9 HZ3 LYS 9 72.590 7.773 6.261 85 3HZ LYS 9 HZ2 LYS 9 71.360 8.946 6.253 86 NH1 ARG 10 NH2 ARG 10 62.761 6.789 13.246 87 NH2 ARG 10 NH1 ARG 10 61.419 8.540 13.742 88 H ARG 10 HN ARG 10 66.854 12.691 9.459 89 HA ARG 10 HA ARG 10 65.823 10.075 8.611 90 1HB ARG 10 HB2 ARG 10 65.419 11.189 11.271 91 2HB ARG 10 HB1 ARG 10 63.881 10.955 10.443 92 1HG ARG 10 HG2 ARG 10 64.390 8.622 10.029 93 2HG ARG 10 HG1 ARG 10 66.025 8.824 10.661 94 1HD ARG 10 HD2 ARG 10 64.919 7.932 12.513 95 2HD ARG 10 HD1 ARG 10 64.786 9.663 12.821 96 HE ARG 10 HE ARG 10 62.488 9.218 11.459 97 1HH1 ARG 10 HH21 ARG 10 63.509 6.395 12.711 98 2HH1 ARG 10 HH22 ARG 10 62.293 6.236 13.935 99 1HH2 ARG 10 HH11 ARG 10 61.139 9.487 13.588 100 2HH2 ARG 10 HH12 ARG 10 60.951 7.985 14.430 101 H LYS 11 HN LYS 11 65.746 11.518 6.647 102 HA LYS 11 HA LYS 11 63.326 13.239 6.684 103 1HB LYS 11 HB2 LYS 11 65.855 13.446 5.039 104 2HB LYS 11 HB1 LYS 11 64.390 14.358 4.665 105 1HG LYS 11 HG2 LYS 11 64.506 15.604 6.657 106 2HG LYS 11 HG1 LYS 11 65.571 14.433 7.435 107 1HD LYS 11 HD2 LYS 11 67.124 16.053 6.888 108 2HD LYS 11 HD1 LYS 11 67.178 15.089 5.412 109 1HE LYS 11 HE2 LYS 11 65.087 17.190 5.490 110 2HE LYS 11 HE1 LYS 11 66.751 17.771 5.426 111 1HZ LYS 11 HZ3 LYS 11 66.982 16.005 3.576 112 2HZ LYS 11 HZ2 LYS 11 65.288 16.110 3.488 113 3HZ LYS 11 HZ1 LYS 11 66.243 17.489 3.217 114 NH1 ARG 12 NH1 ARG 12 56.551 10.107 2.527 115 NH2 ARG 12 NH2 ARG 12 55.048 11.346 3.672 116 H ARG 12 HN ARG 12 61.844 12.978 4.938 117 HA ARG 12 HA ARG 12 62.121 10.367 3.539 118 1HB ARG 12 HB2 ARG 12 59.679 10.647 3.079 119 2HB ARG 12 HB1 ARG 12 60.060 10.637 4.800 120 1HG ARG 12 HG2 ARG 12 59.426 12.804 5.082 121 2HG ARG 12 HG1 ARG 12 60.147 13.314 3.555 122 1HD ARG 12 HD2 ARG 12 57.712 13.560 3.446 123 2HD ARG 12 HD1 ARG 12 58.236 12.293 2.336 124 HE ARG 12 HE ARG 12 57.406 11.390 5.020 125 1HH1 ARG 12 HH11 ARG 12 57.500 9.855 2.337 126 2HH1 ARG 12 HH12 ARG 12 55.807 9.664 2.028 127 1HH2 ARG 12 HH21 ARG 12 54.845 12.043 4.359 128 2HH2 ARG 12 HH22 ARG 12 54.303 10.903 3.173 129 H THR 13 HN THR 13 63.613 12.690 2.599 130 HA THR 13 HA THR 13 62.193 13.693 0.236 131 HB THR 13 HB THR 13 63.787 15.171 1.333 132 HG1 THR 13 HG1 THR 13 64.480 15.866 -0.520 133 1HG2 THR 13 HG22 THR 13 65.367 12.766 1.475 134 2HG2 THR 13 HG21 THR 13 66.291 14.026 0.658 135 3HG2 THR 13 HG23 THR 13 65.641 14.316 2.271 136 H SER 14 HN SER 14 64.343 11.058 1.017 137 HA SER 14 HA SER 14 64.274 10.232 -1.851 138 1HB SER 14 HB2 SER 14 66.575 9.505 -1.745 139 2HB SER 14 HB1 SER 14 66.527 11.175 -1.188 140 HG SER 14 HG SER 14 67.113 10.531 0.729 141 H ILE 15 HN ILE 15 65.574 7.768 -1.508 142 HA ILE 15 HA ILE 15 63.471 6.225 -0.172 143 HB ILE 15 HB ILE 15 66.004 5.403 -1.621 144 1HG1 ILE 15 HG12 ILE 15 64.213 6.417 -3.011 145 2HG1 ILE 15 HG11 ILE 15 64.445 4.711 -3.388 146 1HG2 ILE 15 HG22 ILE 15 63.829 3.738 -0.330 147 2HG2 ILE 15 HG21 ILE 15 64.849 3.108 -1.624 148 3HG2 ILE 15 HG23 ILE 15 65.573 3.615 -0.097 149 1HD1 ILE 15 HD11 ILE 15 62.530 4.734 -1.323 150 2HD1 ILE 15 HD13 ILE 15 62.063 6.055 -2.395 151 3HD1 ILE 15 HD12 ILE 15 62.237 4.422 -3.032 152 H GLU 16 HN GLU 16 63.685 6.722 2.022 153 HA GLU 16 HA GLU 16 66.249 6.293 3.363 154 1HB GLU 16 HB2 GLU 16 64.057 7.877 3.923 155 2HB GLU 16 HB1 GLU 16 63.846 6.533 5.042 156 1HG GLU 16 HG2 GLU 16 66.484 6.973 5.392 157 2HG GLU 16 HG1 GLU 16 65.977 8.605 4.952 158 H ASN 17 HN ASN 17 66.365 4.662 5.149 159 HA ASN 17 HA ASN 17 65.546 2.085 4.251 160 1HB ASN 17 HB2 ASN 17 67.319 2.985 6.137 161 2HB ASN 17 HB1 ASN 17 66.032 2.346 7.158 162 1HD2 ASN 17 HD21 ASN 17 68.762 1.462 5.283 163 2HD2 ASN 17 HD22 ASN 17 68.498 -0.215 5.265 164 NH1 ARG 18 NH1 ARG 18 58.570 7.790 9.181 165 NH2 ARG 18 NH2 ARG 18 59.631 9.611 8.365 166 H ARG 18 HN ARG 18 64.007 4.427 6.353 167 HA ARG 18 HA ARG 18 62.005 2.549 7.335 168 1HB ARG 18 HB2 ARG 18 60.906 4.556 8.266 169 2HB ARG 18 HB1 ARG 18 62.623 4.537 8.662 170 1HG ARG 18 HG2 ARG 18 62.837 6.568 7.710 171 2HG ARG 18 HG1 ARG 18 62.395 5.858 6.159 172 1HD ARG 18 HD2 ARG 18 60.697 7.400 6.327 173 2HD ARG 18 HD1 ARG 18 59.937 6.072 7.202 174 HE ARG 18 HE ARG 18 61.443 7.631 9.055 175 1HH1 ARG 18 HH11 ARG 18 58.570 6.815 9.404 176 2HH1 ARG 18 HH12 ARG 18 57.757 8.343 9.359 177 1HH2 ARG 18 HH21 ARG 18 60.444 10.032 7.962 178 2HH2 ARG 18 HH22 ARG 18 58.818 10.165 8.544 179 H VAL 19 HN VAL 19 62.358 4.666 4.556 180 HA VAL 19 HA VAL 19 59.546 4.671 3.901 181 HB VAL 19 HB VAL 19 61.614 6.184 3.001 182 1HG1 VAL 19 HG13 VAL 19 61.141 4.119 0.823 183 2HG1 VAL 19 HG12 VAL 19 61.817 5.710 0.534 184 3HG1 VAL 19 HG11 VAL 19 62.681 4.567 1.558 185 1HG2 VAL 19 HG21 VAL 19 59.156 6.582 2.845 186 2HG2 VAL 19 HG23 VAL 19 60.014 7.053 1.378 187 3HG2 VAL 19 HG22 VAL 19 59.107 5.540 1.422 188 NH1 ARG 20 NH1 ARG 20 66.159 -0.731 -2.016 189 NH2 ARG 20 NH2 ARG 20 65.998 1.208 -3.167 190 H ARG 20 HN ARG 20 62.313 2.752 2.764 191 HA ARG 20 HA ARG 20 60.807 1.120 0.965 192 1HB ARG 20 HB2 ARG 20 63.319 0.448 2.518 193 2HB ARG 20 HB1 ARG 20 62.698 -0.475 1.150 194 1HG ARG 20 HG2 ARG 20 62.787 1.742 -0.159 195 2HG ARG 20 HG1 ARG 20 63.797 2.334 1.160 196 1HD ARG 20 HD2 ARG 20 65.588 1.278 0.299 197 2HD ARG 20 HD1 ARG 20 64.738 -0.267 0.351 198 HE ARG 20 HE ARG 20 63.722 1.055 -1.894 199 1HH1 ARG 20 HH11 ARG 20 65.833 -1.336 -1.289 200 2HH1 ARG 20 HH12 ARG 20 66.934 -1.005 -2.586 201 1HH2 ARG 20 HH21 ARG 20 65.548 2.088 -3.322 202 2HH2 ARG 20 HH22 ARG 20 66.773 0.935 -3.737 203 CH2 TRP 21 CH2 TRP 21 63.332 -4.296 2.037 204 H TRP 21 HN TRP 21 61.644 0.626 4.383 205 HA TRP 21 HA TRP 21 60.009 -1.784 4.394 206 1HB TRP 21 HB2 TRP 21 61.429 -0.455 6.701 207 2HB TRP 21 HB1 TRP 21 60.720 -2.079 6.707 208 HD1 TRP 21 HD1 TRP 21 63.991 -1.019 6.684 209 HE1 TRP 21 HE1 TRP 21 65.552 -2.222 5.014 210 HE3 TRP 21 HE3 TRP 21 60.538 -3.205 3.593 211 HZ2 TRP 21 HZ2 TRP 21 65.342 -3.860 2.644 212 HZ3 TRP 21 HZ3 TRP 21 61.225 -4.521 1.655 213 HH2 TRP 21 HH2 TRP 21 63.632 -4.897 1.192 214 H SER 22 HN SER 22 59.198 1.349 4.344 215 HA SER 22 HA SER 22 56.880 1.162 6.129 216 1HB SER 22 HB2 SER 22 58.093 3.248 4.369 217 2HB SER 22 HB1 SER 22 56.338 3.284 4.520 218 HG SER 22 HG SER 22 57.095 4.481 6.194 219 H LEU 23 HN LEU 23 57.851 0.984 2.729 220 HA LEU 23 HA LEU 23 55.350 0.483 1.451 221 1HB LEU 23 HB2 LEU 23 57.997 -0.905 0.946 222 2HB LEU 23 HB1 LEU 23 56.672 -0.839 -0.183 223 HG LEU 23 HG LEU 23 57.936 1.708 0.761 224 1HD1 LEU 23 HD11 LEU 23 59.602 -0.190 -0.015 225 2HD1 LEU 23 HD13 LEU 23 58.976 0.173 -1.623 226 3HD1 LEU 23 HD12 LEU 23 59.780 1.430 -0.683 227 1HD2 LEU 23 HD22 LEU 23 55.868 1.125 -0.980 228 2HD2 LEU 23 HD21 LEU 23 56.841 2.594 -1.057 229 3HD2 LEU 23 HD23 LEU 23 57.241 1.216 -2.083 230 H GLU 24 HN GLU 24 57.689 -1.614 3.053 231 HA GLU 24 HA GLU 24 56.518 -4.131 2.672 232 1HB GLU 24 HB2 GLU 24 58.667 -3.223 4.055 233 2HB GLU 24 HB1 GLU 24 57.601 -3.655 5.388 234 1HG GLU 24 HG2 GLU 24 57.232 -5.880 4.161 235 2HG GLU 24 HG1 GLU 24 58.618 -5.433 3.168 236 H THR 25 HN THR 25 55.927 -2.004 5.531 237 HA THR 25 HA THR 25 53.988 -3.713 6.702 238 HB THR 25 HB THR 25 54.956 -1.831 7.945 239 HG1 THR 25 HG1 THR 25 53.180 -1.618 9.056 240 1HG2 THR 25 HG21 THR 25 53.599 -0.249 5.794 241 2HG2 THR 25 HG23 THR 25 53.756 0.454 7.402 242 3HG2 THR 25 HG22 THR 25 55.195 -0.029 6.506 243 H MET 26 HN MET 26 53.720 -1.455 4.030 244 HA MET 26 HA MET 26 50.792 -1.447 4.051 245 1HB MET 26 HB2 MET 26 52.951 -0.355 2.330 246 2HB MET 26 HB1 MET 26 51.416 -0.688 1.525 247 1HG MET 26 HG2 MET 26 50.260 0.611 3.341 248 2HG MET 26 HG1 MET 26 51.848 1.060 3.963 249 1HE MET 26 HE2 MET 26 52.980 2.723 3.557 250 2HE MET 26 HE1 MET 26 53.756 2.459 1.998 251 3HE MET 26 HE3 MET 26 52.871 3.960 2.306 252 H PHE 27 HN PHE 27 53.290 -3.420 2.536 253 HA PHE 27 HA PHE 27 51.323 -4.804 0.824 254 1HB PHE 27 HB2 PHE 27 54.323 -5.056 1.159 255 2HB PHE 27 HB1 PHE 27 53.379 -6.155 0.161 256 HD1 PHE 27 HD2 PHE 27 51.703 -4.972 -1.528 257 HD2 PHE 27 HD1 PHE 27 55.190 -3.127 0.172 258 HE1 PHE 27 HE2 PHE 27 51.743 -3.332 -3.388 259 HE2 PHE 27 HE1 PHE 27 55.230 -1.488 -1.689 260 HZ PHE 27 HZ PHE 27 53.507 -1.591 -3.468 261 H LEU 28 HN LEU 28 52.474 -5.188 4.017 262 HA LEU 28 HA LEU 28 52.303 -8.127 3.944 263 1HB LEU 28 HB2 LEU 28 52.907 -6.215 6.209 264 2HB LEU 28 HB1 LEU 28 52.964 -7.977 6.330 265 HG LEU 28 HG LEU 28 54.486 -6.580 4.148 266 1HD1 LEU 28 HD13 LEU 28 55.245 -6.812 7.057 267 2HD1 LEU 28 HD12 LEU 28 56.472 -6.746 5.793 268 3HD1 LEU 28 HD11 LEU 28 55.351 -5.401 6.004 269 1HD2 LEU 28 HD22 LEU 28 54.136 -9.101 4.295 270 2HD2 LEU 28 HD21 LEU 28 55.814 -8.570 4.189 271 3HD2 LEU 28 HD23 LEU 28 55.143 -9.066 5.743 272 H LYS 29 HN LYS 29 49.892 -6.108 3.743 273 HA LYS 29 HA LYS 29 48.290 -7.263 5.977 274 1HB LYS 29 HB2 LYS 29 46.627 -5.539 5.477 275 2HB LYS 29 HB1 LYS 29 48.204 -4.781 5.677 276 1HG LYS 29 HG2 LYS 29 48.466 -4.841 3.165 277 2HG LYS 29 HG1 LYS 29 46.797 -5.403 3.061 278 1HD LYS 29 HD2 LYS 29 47.666 -2.821 4.397 279 2HD LYS 29 HD1 LYS 29 46.986 -2.932 2.774 280 1HE LYS 29 HE2 LYS 29 44.949 -4.013 3.761 281 2HE LYS 29 HE1 LYS 29 45.621 -3.718 5.365 282 1HZ LYS 29 HZ2 LYS 29 45.312 -1.525 3.413 283 2HZ LYS 29 HZ1 LYS 29 44.016 -2.004 4.402 284 3HZ LYS 29 HZ3 LYS 29 45.450 -1.433 5.104 285 H CYS 30 HN CYS 30 48.378 -6.853 2.480 286 HA CYS 30 HA CYS 30 46.770 -9.304 2.181 287 1HB CYS 30 HB2 CYS 30 46.082 -6.566 1.195 288 2HB CYS 30 HB1 CYS 30 45.751 -7.927 0.123 289 HG CYS 30 HG CYS 30 44.538 -7.687 3.001 290 HA PRO 31 HA PRO 31 50.050 -9.802 -0.839 291 1HB PRO 31 HB2 PRO 31 49.211 -12.177 -1.910 292 2HB PRO 31 HB1 PRO 31 49.975 -12.062 -0.314 293 1HG PRO 31 HG2 PRO 31 47.121 -12.553 -0.991 294 2HG PRO 31 HG1 PRO 31 48.014 -12.979 0.478 295 1HD PRO 31 HD2 PRO 31 46.234 -10.765 0.139 296 2HD PRO 31 HD1 PRO 31 47.273 -11.093 1.541 297 H LYS 32 HN LYS 32 47.072 -8.687 -1.562 298 HA LYS 32 HA LYS 32 47.372 -9.144 -4.478 299 1HB LYS 32 HB2 LYS 32 44.879 -8.686 -4.553 300 2HB LYS 32 HB1 LYS 32 45.340 -10.169 -3.718 301 1HG LYS 32 HG2 LYS 32 44.997 -9.194 -1.570 302 2HG LYS 32 HG1 LYS 32 44.941 -7.562 -2.231 303 1HD LYS 32 HD2 LYS 32 42.670 -8.188 -1.781 304 2HD LYS 32 HD1 LYS 32 42.878 -8.284 -3.531 305 1HE LYS 32 HE2 LYS 32 43.522 -10.775 -3.061 306 2HE LYS 32 HE1 LYS 32 42.689 -10.519 -1.528 307 1HZ LYS 32 HZ2 LYS 32 41.395 -9.706 -4.040 308 2HZ LYS 32 HZ1 LYS 32 41.376 -11.343 -3.583 309 3HZ LYS 32 HZ3 LYS 32 40.688 -10.173 -2.567 310 HA PRO 33 HA PRO 33 47.686 -4.556 -3.679 311 1HB PRO 33 HB2 PRO 33 50.061 -4.140 -4.999 312 2HB PRO 33 HB1 PRO 33 49.956 -4.507 -3.269 313 1HG PRO 33 HG2 PRO 33 50.801 -6.270 -5.515 314 2HG PRO 33 HG1 PRO 33 51.253 -6.334 -3.803 315 1HD PRO 33 HD2 PRO 33 49.360 -8.016 -5.071 316 2HD PRO 33 HD1 PRO 33 49.571 -7.819 -3.318 317 H SER 34 HN SER 34 46.709 -3.234 -5.178 318 HA SER 34 HA SER 34 46.236 -4.245 -7.879 319 1HB SER 34 HB2 SER 34 44.953 -2.045 -8.070 320 2HB SER 34 HB1 SER 34 44.362 -3.190 -6.868 321 HG SER 34 HG SER 34 44.965 -0.749 -6.413 322 H LEU 35 HN LEU 35 46.808 -3.094 -9.812 323 HA LEU 35 HA LEU 35 49.462 -1.987 -9.819 324 1HB LEU 35 HB2 LEU 35 47.198 -1.934 -11.831 325 2HB LEU 35 HB1 LEU 35 48.760 -1.180 -12.155 326 HG LEU 35 HG LEU 35 49.018 -3.895 -11.080 327 1HD1 LEU 35 HD12 LEU 35 47.274 -3.372 -13.449 328 2HD1 LEU 35 HD11 LEU 35 48.394 -4.731 -13.540 329 3HD1 LEU 35 HD13 LEU 35 47.186 -4.668 -12.256 330 1HD2 LEU 35 HD22 LEU 35 50.603 -2.191 -12.448 331 2HD2 LEU 35 HD21 LEU 35 50.833 -3.939 -12.491 332 3HD2 LEU 35 HD23 LEU 35 49.967 -3.131 -13.798 333 H GLN 36 HN GLN 36 46.306 -0.703 -9.198 334 HA GLN 36 HA GLN 36 46.983 2.107 -9.637 335 1HB GLN 36 HB2 GLN 36 44.618 0.987 -9.516 336 2HB GLN 36 HB1 GLN 36 44.821 1.139 -7.770 337 1HG GLN 36 HG2 GLN 36 44.788 3.457 -7.826 338 2HG GLN 36 HG1 GLN 36 45.381 3.529 -9.486 339 1HE2 GLN 36 HE22 GLN 36 41.377 2.759 -8.896 340 2HE2 GLN 36 HE21 GLN 36 42.490 2.286 -7.706 341 H GLN 37 HN GLN 37 46.966 -0.190 -6.969 342 HA GLN 37 HA GLN 37 47.686 1.720 -4.924 343 1HB GLN 37 HB2 GLN 37 46.644 -0.528 -4.475 344 2HB GLN 37 HB1 GLN 37 48.177 -1.272 -4.932 345 1HG GLN 37 HG2 GLN 37 49.331 -0.264 -3.113 346 2HG GLN 37 HG1 GLN 37 48.010 0.863 -2.801 347 1HE2 GLN 37 HE22 GLN 37 47.556 -3.051 -1.595 348 2HE2 GLN 37 HE21 GLN 37 48.595 -2.703 -2.892 349 H ILE 38 HN ILE 38 49.476 -0.046 -7.372 350 HA ILE 38 HA ILE 38 52.040 0.335 -6.037 351 HB ILE 38 HB ILE 38 51.309 -0.657 -8.809 352 1HG1 ILE 38 HG12 ILE 38 50.915 -2.209 -6.940 353 2HG1 ILE 38 HG11 ILE 38 52.277 -2.769 -7.908 354 1HG2 ILE 38 HG22 ILE 38 54.068 -0.236 -7.587 355 2HG2 ILE 38 HG21 ILE 38 53.768 -1.230 -9.012 356 3HG2 ILE 38 HG23 ILE 38 53.446 0.504 -9.061 357 1HD1 ILE 38 HD11 ILE 38 53.537 -1.148 -6.075 358 2HD1 ILE 38 HD13 ILE 38 52.223 -1.818 -5.108 359 3HD1 ILE 38 HD12 ILE 38 53.371 -2.895 -5.905 360 H THR 39 HN THR 39 50.026 2.065 -8.281 361 HA THR 39 HA THR 39 52.093 3.941 -9.127 362 HB THR 39 HB THR 39 49.814 5.360 -9.499 363 HG1 THR 39 HG1 THR 39 48.100 4.084 -9.673 364 1HG2 THR 39 HG21 THR 39 51.556 4.332 -11.139 365 2HG2 THR 39 HG23 THR 39 50.376 3.034 -11.319 366 3HG2 THR 39 HG22 THR 39 49.937 4.689 -11.741 367 H HIS 40 HN HIS 40 49.663 3.762 -6.584 368 HA HIS 40 HA HIS 40 50.254 6.393 -5.465 369 1HB HIS 40 HB2 HIS 40 48.123 4.810 -5.190 370 2HB HIS 40 HB1 HIS 40 49.049 4.202 -3.818 371 HD1 HIS 40 HD1 HIS 40 49.659 5.941 -1.928 372 HD2 HIS 40 HD2 HIS 40 47.061 7.396 -4.843 373 HE1 HIS 40 HE1 HIS 40 48.677 8.084 -1.005 374 H ILE 41 HN ILE 41 51.565 3.184 -5.207 375 HA ILE 41 HA ILE 41 52.940 3.504 -2.694 376 HB ILE 41 HB ILE 41 52.654 1.536 -4.788 377 1HG1 ILE 41 HG12 ILE 41 53.918 0.318 -2.595 378 2HG1 ILE 41 HG11 ILE 41 53.017 1.667 -1.906 379 1HG2 ILE 41 HG21 ILE 41 55.498 1.899 -3.837 380 2HG2 ILE 41 HG23 ILE 41 54.890 0.461 -4.659 381 3HG2 ILE 41 HG22 ILE 41 54.921 2.010 -5.500 382 1HD1 ILE 41 HD13 ILE 41 51.747 -0.212 -3.899 383 2HD1 ILE 41 HD12 ILE 41 51.769 -0.579 -2.174 384 3HD1 ILE 41 HD11 ILE 41 50.953 0.871 -2.756 385 H ALA 42 HN ALA 42 53.801 3.979 -6.094 386 HA ALA 42 HA ALA 42 56.485 4.805 -5.707 387 1HB ALA 42 HB3 ALA 42 54.458 5.154 -7.880 388 2HB ALA 42 HB2 ALA 42 55.946 6.098 -7.953 389 3HB ALA 42 HB1 ALA 42 56.019 4.335 -7.936 390 H ASN 43 HN ASN 43 53.570 6.797 -6.171 391 HA ASN 43 HA ASN 43 54.888 9.273 -5.575 392 1HB ASN 43 HB2 ASN 43 52.051 8.339 -5.726 393 2HB ASN 43 HB1 ASN 43 52.373 9.862 -4.895 394 1HD2 ASN 43 HD22 ASN 43 51.928 10.395 -8.641 395 2HD2 ASN 43 HD21 ASN 43 50.994 9.549 -7.504 396 H GLN 44 HN GLN 44 53.895 6.609 -3.620 397 HA GLN 44 HA GLN 44 53.529 8.051 -1.150 398 1HB GLN 44 HB2 GLN 44 53.468 5.282 -2.063 399 2HB GLN 44 HB1 GLN 44 54.182 5.443 -0.466 400 1HG GLN 44 HG2 GLN 44 51.487 6.546 -1.321 401 2HG GLN 44 HG1 GLN 44 51.734 5.098 -0.346 402 1HE2 GLN 44 HE22 GLN 44 51.734 8.695 1.458 403 2HE2 GLN 44 HE21 GLN 44 51.280 8.482 -0.164 404 H LEU 45 HN LEU 45 56.293 6.592 -2.794 405 HA LEU 45 HA LEU 45 57.985 7.734 -0.624 406 1HB LEU 45 HB2 LEU 45 59.434 5.875 -0.561 407 2HB LEU 45 HB1 LEU 45 57.815 5.196 -0.565 408 HG LEU 45 HG LEU 45 59.432 5.517 -3.096 409 1HD1 LEU 45 HD12 LEU 45 60.229 3.931 -1.010 410 2HD1 LEU 45 HD11 LEU 45 59.146 2.839 -1.871 411 3HD1 LEU 45 HD13 LEU 45 60.523 3.550 -2.701 412 1HD2 LEU 45 HD23 LEU 45 56.878 4.221 -2.238 413 2HD2 LEU 45 HD22 LEU 45 57.233 5.122 -3.713 414 3HD2 LEU 45 HD21 LEU 45 57.811 3.467 -3.530 415 H GLY 46 HN GLY 46 57.169 8.639 -3.405 416 1HA GLY 46 HA2 GLY 46 58.148 9.694 -5.254 417 2HA GLY 46 HA1 GLY 46 59.304 10.240 -4.052 418 H LEU 47 HN LEU 47 59.026 6.844 -5.029 419 HA LEU 47 HA LEU 47 61.799 7.077 -6.107 420 1HB LEU 47 HB2 LEU 47 62.219 4.896 -5.483 421 2HB LEU 47 HB1 LEU 47 60.980 5.276 -4.300 422 HG LEU 47 HG LEU 47 60.621 3.771 -6.893 423 1HD1 LEU 47 HD11 LEU 47 61.494 2.817 -4.507 424 2HD1 LEU 47 HD13 LEU 47 59.751 2.642 -4.301 425 3HD1 LEU 47 HD12 LEU 47 60.562 1.857 -5.654 426 1HD2 LEU 47 HD22 LEU 47 58.665 5.052 -5.088 427 2HD2 LEU 47 HD21 LEU 47 58.572 4.772 -6.818 428 3HD2 LEU 47 HD23 LEU 47 58.260 3.456 -5.692 429 H GLU 48 HN GLU 48 62.110 5.208 -7.912 430 HA GLU 48 HA GLU 48 60.254 5.957 -10.085 431 1HB GLU 48 HB2 GLU 48 62.925 5.787 -10.140 432 2HB GLU 48 HB1 GLU 48 62.557 4.106 -10.529 433 1HG GLU 48 HG2 GLU 48 62.424 4.914 -12.663 434 2HG GLU 48 HG1 GLU 48 60.793 5.351 -12.166 435 H LYS 49 HN LYS 49 59.016 4.394 -11.178 436 HA LYS 49 HA LYS 49 57.950 2.244 -9.691 437 1HB LYS 49 HB2 LYS 49 56.971 3.366 -11.770 438 2HB LYS 49 HB1 LYS 49 58.021 2.307 -12.711 439 1HG LYS 49 HG2 LYS 49 56.783 0.614 -10.829 440 2HG LYS 49 HG1 LYS 49 55.503 1.689 -11.388 441 1HD LYS 49 HD2 LYS 49 55.384 0.079 -13.039 442 2HD LYS 49 HD1 LYS 49 56.589 1.145 -13.765 443 1HE LYS 49 HE2 LYS 49 58.396 -0.240 -13.009 444 2HE LYS 49 HE1 LYS 49 57.320 -1.194 -11.988 445 1HZ LYS 49 HZ2 LYS 49 57.081 -1.023 -14.940 446 2HZ LYS 49 HZ1 LYS 49 57.908 -2.267 -14.129 447 3HZ LYS 49 HZ3 LYS 49 56.239 -2.071 -13.901 448 H ASP 50 HN ASP 50 60.888 2.355 -11.565 449 HA ASP 50 HA ASP 50 61.055 -0.505 -11.999 450 1HB ASP 50 HB2 ASP 50 63.358 -0.087 -12.703 451 2HB ASP 50 HB1 ASP 50 62.289 1.119 -13.414 452 H VAL 51 HN VAL 51 62.253 1.686 -9.437 453 HA VAL 51 HA VAL 51 63.672 -0.540 -8.142 454 HB VAL 51 HB VAL 51 64.522 1.784 -7.957 455 1HG1 VAL 51 HG11 VAL 51 61.763 2.273 -7.187 456 2HG1 VAL 51 HG13 VAL 51 62.876 2.910 -5.979 457 3HG1 VAL 51 HG12 VAL 51 63.006 3.427 -7.660 458 1HG2 VAL 51 HG23 VAL 51 63.611 0.437 -5.399 459 2HG2 VAL 51 HG22 VAL 51 65.169 0.259 -6.207 460 3HG2 VAL 51 HG21 VAL 51 64.747 1.786 -5.431 461 H VAL 52 HN VAL 52 60.486 0.848 -8.108 462 HA VAL 52 HA VAL 52 59.761 -0.203 -5.500 463 HB VAL 52 HB VAL 52 58.713 1.775 -6.980 464 1HG1 VAL 52 HG13 VAL 52 57.883 -0.071 -8.648 465 2HG1 VAL 52 HG12 VAL 52 56.611 -0.311 -7.453 466 3HG1 VAL 52 HG11 VAL 52 56.814 1.264 -8.219 467 1HG2 VAL 52 HG21 VAL 52 58.228 0.799 -4.583 468 2HG2 VAL 52 HG23 VAL 52 57.089 1.910 -5.343 469 3HG2 VAL 52 HG22 VAL 52 56.774 0.176 -5.362 470 NH1 ARG 53 NH1 ARG 53 55.454 -6.248 -11.754 471 NH2 ARG 53 NH2 ARG 53 53.445 -5.422 -11.117 472 H ARG 53 HN ARG 53 59.712 -1.374 -8.808 473 HA ARG 53 HA ARG 53 57.993 -3.659 -8.150 474 1HB ARG 53 HB2 ARG 53 58.438 -2.416 -10.482 475 2HB ARG 53 HB1 ARG 53 59.688 -3.654 -10.606 476 1HG ARG 53 HG2 ARG 53 57.613 -4.486 -11.603 477 2HG ARG 53 HG1 ARG 53 57.976 -5.398 -10.139 478 1HD ARG 53 HD2 ARG 53 56.067 -4.723 -9.145 479 2HD ARG 53 HD1 ARG 53 56.369 -3.035 -9.556 480 HE ARG 53 HE ARG 53 55.029 -3.311 -11.503 481 1HH1 ARG 53 HH11 ARG 53 56.437 -6.124 -11.888 482 2HH1 ARG 53 HH12 ARG 53 55.026 -7.126 -11.972 483 1HH2 ARG 53 HH21 ARG 53 52.893 -4.667 -10.763 484 2HH2 ARG 53 HH22 ARG 53 53.014 -6.297 -11.334 485 H VAL 54 HN VAL 54 61.464 -3.136 -8.831 486 HA VAL 54 HA VAL 54 62.211 -5.891 -8.461 487 HB VAL 54 HB VAL 54 63.864 -3.367 -8.097 488 1HG1 VAL 54 HG12 VAL 54 64.777 -5.511 -7.067 489 2HG1 VAL 54 HG11 VAL 54 64.820 -6.179 -8.699 490 3HG1 VAL 54 HG13 VAL 54 65.803 -4.771 -8.296 491 1HG2 VAL 54 HG22 VAL 54 63.327 -5.175 -10.469 492 2HG2 VAL 54 HG21 VAL 54 62.995 -3.451 -10.340 493 3HG2 VAL 54 HG23 VAL 54 64.660 -4.021 -10.423 494 CH2 TRP 55 CH2 TRP 55 58.229 -3.129 0.306 495 H TRP 55 HN TRP 55 61.677 -3.201 -6.264 496 HA TRP 55 HA TRP 55 62.854 -4.516 -3.942 497 1HB TRP 55 HB2 TRP 55 62.735 -2.084 -3.963 498 2HB TRP 55 HB1 TRP 55 61.000 -2.124 -4.249 499 HD1 TRP 55 HD1 TRP 55 63.585 -2.287 -1.480 500 HE1 TRP 55 HE1 TRP 55 62.386 -2.393 0.767 501 HE3 TRP 55 HE3 TRP 55 58.778 -3.096 -3.043 502 HZ2 TRP 55 HZ2 TRP 55 59.743 -2.847 1.808 503 HZ3 TRP 55 HZ3 TRP 55 56.947 -3.362 -1.406 504 HH2 TRP 55 HH2 TRP 55 57.427 -3.246 1.019 505 H PHE 56 HN PHE 56 59.557 -4.172 -5.275 506 HA PHE 56 HA PHE 56 58.563 -5.884 -3.095 507 1HB PHE 56 HB2 PHE 56 57.233 -3.896 -4.039 508 2HB PHE 56 HB1 PHE 56 56.880 -4.955 -5.409 509 HD1 PHE 56 HD2 PHE 56 57.144 -5.418 -1.688 510 HD2 PHE 56 HD1 PHE 56 54.791 -6.004 -5.230 511 HE1 PHE 56 HE2 PHE 56 55.438 -6.595 -0.350 512 HE2 PHE 56 HE1 PHE 56 53.079 -7.195 -3.886 513 HZ PHE 56 HZ PHE 56 53.417 -7.489 -1.440 514 H CYS 57 HN CYS 57 60.214 -6.553 -5.832 515 HA CYS 57 HA CYS 57 58.548 -8.764 -6.813 516 1HB CYS 57 HB2 CYS 57 61.160 -7.527 -7.551 517 2HB CYS 57 HB1 CYS 57 60.982 -9.245 -7.907 518 HG CYS 57 HG CYS 57 58.912 -7.147 -8.969 519 H ASN 58 HN ASN 58 61.330 -8.235 -4.729 520 HA ASN 58 HA ASN 58 61.691 -11.108 -4.221 521 1HB ASN 58 HB2 ASN 58 62.893 -8.633 -2.930 522 2HB ASN 58 HB1 ASN 58 63.336 -10.286 -2.503 523 1HD2 ASN 58 HD22 ASN 58 65.380 -10.755 -5.355 524 2HD2 ASN 58 HD21 ASN 58 64.705 -11.460 -3.966 525 NH1 ARG 59 NH1 ARG 59 61.157 -8.520 3.572 526 NH2 ARG 59 NH2 ARG 59 62.891 -7.589 2.462 527 H ARG 59 HN ARG 59 60.263 -8.246 -2.720 528 HA ARG 59 HA ARG 59 59.576 -9.398 -0.193 529 1HB ARG 59 HB2 ARG 59 59.051 -6.974 -1.615 530 2HB ARG 59 HB1 ARG 59 57.507 -7.581 -1.019 531 1HG ARG 59 HG2 ARG 59 58.509 -6.131 0.650 532 2HG ARG 59 HG1 ARG 59 58.510 -7.793 1.242 533 1HD ARG 59 HD2 ARG 59 60.884 -7.992 0.341 534 2HD ARG 59 HD1 ARG 59 60.844 -6.249 0.081 535 HE ARG 59 HE ARG 59 60.398 -6.085 2.592 536 1HH1 ARG 59 HH11 ARG 59 60.177 -8.567 3.764 537 2HH1 ARG 59 HH12 ARG 59 61.788 -9.140 4.038 538 1HH2 ARG 59 HH21 ARG 59 63.240 -6.921 1.804 539 2HH2 ARG 59 HH22 ARG 59 63.523 -8.209 2.927 540 NH1 ARG 60 NH2 ARG 60 54.120 -11.083 -8.761 541 NH2 ARG 60 NH1 ARG 60 55.048 -13.129 -9.002 542 H ARG 60 HN ARG 60 58.119 -9.735 -3.385 543 HA ARG 60 HA ARG 60 55.677 -10.953 -2.268 544 1HB ARG 60 HB2 ARG 60 54.982 -11.201 -4.617 545 2HB ARG 60 HB1 ARG 60 55.518 -9.554 -4.292 546 1HG ARG 60 HG2 ARG 60 57.605 -9.910 -5.389 547 2HG ARG 60 HG1 ARG 60 57.375 -11.656 -5.424 548 1HD ARG 60 HD2 ARG 60 55.449 -9.797 -6.819 549 2HD ARG 60 HD1 ARG 60 56.923 -10.354 -7.614 550 HE ARG 60 HE ARG 60 55.555 -12.620 -6.538 551 1HH1 ARG 60 HH21 ARG 60 54.003 -10.242 -8.232 552 2HH1 ARG 60 HH22 ARG 60 53.640 -11.198 -9.631 553 1HH2 ARG 60 HH11 ARG 60 55.641 -13.858 -8.659 554 2HH2 ARG 60 HH12 ARG 60 54.569 -13.244 -9.873 555 H GLN 61 HN GLN 61 58.720 -12.012 -3.688 556 HA GLN 61 HA GLN 61 57.848 -14.824 -3.167 557 1HB GLN 61 HB2 GLN 61 59.211 -15.518 -5.149 558 2HB GLN 61 HB1 GLN 61 57.825 -14.518 -5.578 559 1HG GLN 61 HG2 GLN 61 59.160 -12.945 -6.484 560 2HG GLN 61 HG1 GLN 61 60.112 -12.833 -5.005 561 1HE2 GLN 61 HE22 GLN 61 61.376 -15.832 -7.509 562 2HE2 GLN 61 HE21 GLN 61 59.734 -15.723 -7.098 563 H LYS 62 HN LYS 62 59.064 -13.709 -1.156 564 HA LYS 62 HA LYS 62 61.980 -13.871 -1.327 565 1HB LYS 62 HB2 LYS 62 61.918 -13.417 1.088 566 2HB LYS 62 HB1 LYS 62 60.864 -12.297 0.230 567 1HG LYS 62 HG2 LYS 62 59.037 -14.167 0.735 568 2HG LYS 62 HG1 LYS 62 60.143 -14.565 2.047 569 1HD LYS 62 HD2 LYS 62 59.617 -11.675 1.732 570 2HD LYS 62 HD1 LYS 62 58.208 -12.629 2.194 571 1HE LYS 62 HE2 LYS 62 60.738 -13.231 3.636 572 2HE LYS 62 HE1 LYS 62 59.976 -11.683 3.999 573 1HZ LYS 62 HZ3 LYS 62 57.848 -13.102 4.176 574 2HZ LYS 62 HZ2 LYS 62 58.920 -14.405 4.374 575 3HZ LYS 62 HZ1 LYS 62 58.947 -13.105 5.468 576 H GLY 63 HN GLY 63 59.313 -15.916 -0.316 577 1HA GLY 63 HA2 GLY 63 60.693 -18.353 -0.649 578 2HA GLY 63 HA1 GLY 63 60.824 -17.921 1.057 579 H LYS 64 HN LYS 64 58.620 -18.858 -1.497 580 HA LYS 64 HA LYS 64 56.235 -18.684 0.183 581 1HB LYS 64 HB2 LYS 64 56.782 -19.849 -2.551 582 2HB LYS 64 HB1 LYS 64 55.209 -19.986 -1.765 583 1HG LYS 64 HG2 LYS 64 55.368 -17.421 -1.447 584 2HG LYS 64 HG1 LYS 64 56.645 -17.490 -2.662 585 1HD LYS 64 HD2 LYS 64 53.923 -18.727 -3.107 586 2HD LYS 64 HD1 LYS 64 54.286 -17.058 -3.546 587 1HE LYS 64 HE2 LYS 64 56.370 -18.147 -4.747 588 2HE LYS 64 HE1 LYS 64 55.370 -19.600 -4.710 589 1HZ LYS 64 HZ3 LYS 64 53.561 -18.139 -5.673 590 2HZ LYS 64 HZ2 LYS 64 54.782 -17.004 -5.997 591 3HZ LYS 64 HZ1 LYS 64 54.841 -18.546 -6.709 592 NH1 ARG 65 NH2 ARG 65 57.411 -28.546 -1.030 593 NH2 ARG 65 NH1 ARG 65 55.572 -27.783 -2.103 594 H ARG 65 HN ARG 65 58.702 -21.060 -0.405 595 HA ARG 65 HA ARG 65 56.995 -23.184 0.764 596 1HB ARG 65 HB2 ARG 65 59.439 -23.121 -0.910 597 2HB ARG 65 HB1 ARG 65 59.404 -24.388 0.316 598 1HG ARG 65 HG2 ARG 65 56.904 -24.663 -0.624 599 2HG ARG 65 HG1 ARG 65 57.668 -24.018 -2.077 600 1HD ARG 65 HD2 ARG 65 59.406 -25.779 -1.929 601 2HD ARG 65 HD1 ARG 65 58.602 -26.438 -0.504 602 HE ARG 65 HE ARG 65 57.460 -26.462 -3.261 603 1HH1 ARG 65 HH21 ARG 65 58.383 -28.461 -0.811 604 2HH1 ARG 65 HH22 ARG 65 56.876 -29.300 -0.648 605 1HH2 ARG 65 HH11 ARG 65 55.136 -27.114 -2.705 606 2HH2 ARG 65 HH12 ARG 65 55.036 -28.536 -1.721 607 H SER 66 HN SER 66 60.099 -21.524 1.319 608 HA SER 66 HA SER 66 60.269 -22.732 4.022 609 1HB SER 66 HB2 SER 66 62.229 -20.717 2.969 610 2HB SER 66 HB1 SER 66 62.508 -22.086 4.042 611 HG SER 66 HG SER 66 63.165 -22.218 1.702 612 H SER 67 HN SER 67 58.800 -21.678 5.337 613 HA SER 67 HA SER 67 58.521 -18.746 5.192 614 1HB SER 67 HB2 SER 67 57.249 -20.607 7.207 615 2HB SER 67 HB1 SER 67 56.703 -19.005 6.720 616 HG SER 67 HG SER 67 56.394 -21.460 5.489 Start of MODEL 16 Raw file had 616 H/Q atoms Start of MODEL 16 1 1H MET 1 HT2 MET 1 78.851 -19.444 -6.503 2 2H MET 1 HT1 MET 1 78.993 -18.378 -7.818 3 3H MET 1 HT3 MET 1 77.857 -18.070 -6.597 4 HA MET 1 HA MET 1 76.521 -18.949 -8.229 5 1HB MET 1 HB2 MET 1 77.260 -20.929 -9.584 6 2HB MET 1 HB1 MET 1 78.285 -19.511 -9.807 7 1HG MET 1 HG2 MET 1 79.884 -20.418 -8.149 8 2HG MET 1 HG1 MET 1 78.869 -21.849 -7.966 9 1HE MET 1 HE3 MET 1 77.917 -22.990 -9.770 10 2HE MET 1 HE2 MET 1 78.090 -22.414 -11.426 11 3HE MET 1 HE1 MET 1 78.980 -23.841 -10.900 12 H GLU 2 HN GLU 2 75.025 -20.719 -8.002 13 HA GLU 2 HA GLU 2 73.867 -22.338 -6.767 14 1HB GLU 2 HB2 GLU 2 76.653 -23.230 -6.908 15 2HB GLU 2 HB1 GLU 2 75.836 -23.832 -5.465 16 1HG GLU 2 HG2 GLU 2 74.118 -24.873 -6.750 17 2HG GLU 2 HG1 GLU 2 74.596 -24.019 -8.216 18 H THR 3 HN THR 3 74.697 -19.760 -5.510 19 HA THR 3 HA THR 3 74.713 -20.633 -2.650 20 HB THR 3 HB THR 3 75.324 -17.958 -2.569 21 HG1 THR 3 HG1 THR 3 76.845 -17.630 -4.213 22 1HG2 THR 3 HG22 THR 3 77.191 -20.326 -2.848 23 2HG2 THR 3 HG21 THR 3 77.689 -18.731 -2.283 24 3HG2 THR 3 HG23 THR 3 76.527 -19.674 -1.349 25 H LEU 4 HN LEU 4 73.540 -18.969 -1.220 26 HA LEU 4 HA LEU 4 71.366 -17.505 -2.519 27 1HB LEU 4 HB2 LEU 4 69.671 -18.750 -0.947 28 2HB LEU 4 HB1 LEU 4 70.087 -19.445 -2.503 29 HG LEU 4 HG LEU 4 70.039 -21.063 -0.552 30 1HD1 LEU 4 HD12 LEU 4 71.599 -21.046 -2.778 31 2HD1 LEU 4 HD11 LEU 4 72.823 -21.208 -1.519 32 3HD1 LEU 4 HD13 LEU 4 71.519 -22.389 -1.636 33 1HD2 LEU 4 HD21 LEU 4 71.287 -19.324 0.953 34 2HD2 LEU 4 HD23 LEU 4 71.658 -21.037 1.130 35 3HD2 LEU 4 HD22 LEU 4 72.741 -19.993 0.217 36 H VAL 5 HN VAL 5 73.551 -16.719 -0.903 37 HA VAL 5 HA VAL 5 72.058 -15.594 1.420 38 HB VAL 5 HB VAL 5 74.922 -16.584 1.558 39 1HG1 VAL 5 HG13 VAL 5 73.715 -14.677 3.081 40 2HG1 VAL 5 HG12 VAL 5 73.278 -16.128 3.984 41 3HG1 VAL 5 HG11 VAL 5 74.975 -15.752 3.685 42 1HG2 VAL 5 HG22 VAL 5 72.298 -17.898 2.119 43 2HG2 VAL 5 HG21 VAL 5 73.810 -18.607 1.551 44 3HG2 VAL 5 HG23 VAL 5 73.615 -18.196 3.254 45 H GLN 6 HN GLN 6 72.023 -13.900 -0.431 46 HA GLN 6 HA GLN 6 74.207 -11.981 0.101 47 1HB GLN 6 HB2 GLN 6 74.396 -11.519 -2.401 48 2HB GLN 6 HB1 GLN 6 75.121 -13.026 -1.845 49 1HG GLN 6 HG2 GLN 6 72.991 -14.206 -2.482 50 2HG GLN 6 HG1 GLN 6 72.428 -12.693 -3.195 51 1HE2 GLN 6 HE22 GLN 6 75.296 -14.883 -5.114 52 2HE2 GLN 6 HE21 GLN 6 74.824 -15.294 -3.536 53 H ALA 7 HN ALA 7 71.165 -12.609 -1.667 54 HA ALA 7 HA ALA 7 70.453 -9.843 -1.953 55 1HB ALA 7 HB2 ALA 7 68.832 -12.397 -1.998 56 2HB ALA 7 HB1 ALA 7 68.108 -10.810 -2.261 57 3HB ALA 7 HB3 ALA 7 69.338 -11.413 -3.373 58 NH1 ARG 8 NH1 ARG 8 70.183 -12.579 6.564 59 NH2 ARG 8 NH2 ARG 8 72.255 -11.680 6.636 60 H ARG 8 HN ARG 8 70.185 -8.550 -0.186 61 HA ARG 8 HA ARG 8 68.336 -9.435 1.923 62 1HB ARG 8 HB2 ARG 8 71.154 -8.473 2.479 63 2HB ARG 8 HB1 ARG 8 69.915 -8.719 3.710 64 1HG ARG 8 HG2 ARG 8 69.731 -11.106 2.971 65 2HG ARG 8 HG1 ARG 8 71.087 -10.830 1.878 66 1HD ARG 8 HD2 ARG 8 72.613 -10.852 3.566 67 2HD ARG 8 HD1 ARG 8 71.559 -9.960 4.663 68 HE ARG 8 HE ARG 8 71.030 -12.845 4.119 69 1HH1 ARG 8 HH11 ARG 8 69.398 -12.903 6.037 70 2HH1 ARG 8 HH12 ARG 8 70.166 -12.619 7.563 71 1HH2 ARG 8 HH21 ARG 8 73.058 -11.316 6.164 72 2HH2 ARG 8 HH22 ARG 8 72.239 -11.721 7.635 73 H LYS 9 HN LYS 9 67.561 -7.621 3.229 74 HA LYS 9 HA LYS 9 67.580 -5.102 1.697 75 1HB LYS 9 HB2 LYS 9 65.656 -4.502 3.189 76 2HB LYS 9 HB1 LYS 9 65.377 -5.976 2.262 77 1HG LYS 9 HG2 LYS 9 65.386 -7.299 4.119 78 2HG LYS 9 HG1 LYS 9 66.698 -6.395 4.875 79 1HD LYS 9 HD2 LYS 9 64.944 -4.519 5.212 80 2HD LYS 9 HD1 LYS 9 63.746 -5.771 4.877 81 1HE LYS 9 HE2 LYS 9 63.965 -5.869 7.217 82 2HE LYS 9 HE1 LYS 9 65.034 -7.159 6.665 83 1HZ LYS 9 HZ3 LYS 9 66.783 -5.263 6.644 84 2HZ LYS 9 HZ2 LYS 9 65.717 -4.506 7.728 85 3HZ LYS 9 HZ1 LYS 9 66.382 -6.022 8.107 86 NH1 ARG 10 NH1 ARG 10 69.554 -4.573 9.914 87 NH2 ARG 10 NH2 ARG 10 71.179 -5.924 10.717 88 H ARG 10 HN ARG 10 69.982 -5.438 2.913 89 HA ARG 10 HA ARG 10 69.874 -3.999 5.489 90 1HB ARG 10 HB2 ARG 10 71.292 -6.159 4.967 91 2HB ARG 10 HB1 ARG 10 72.424 -4.994 4.279 92 1HG ARG 10 HG2 ARG 10 73.100 -5.178 6.536 93 2HG ARG 10 HG1 ARG 10 72.138 -3.699 6.495 94 1HD ARG 10 HD2 ARG 10 70.137 -5.094 7.173 95 2HD ARG 10 HD1 ARG 10 71.251 -6.437 7.437 96 HE ARG 10 HE ARG 10 72.277 -4.244 8.884 97 1HH1 ARG 10 HH11 ARG 10 69.218 -3.944 9.213 98 2HH1 ARG 10 HH12 ARG 10 68.981 -4.794 10.704 99 1HH2 ARG 10 HH21 ARG 10 72.089 -6.330 10.630 100 2HH2 ARG 10 HH22 ARG 10 70.606 -6.145 11.506 101 H LYS 11 HN LYS 11 69.344 -2.602 2.958 102 HA LYS 11 HA LYS 11 71.766 -0.951 2.625 103 1HB LYS 11 HB2 LYS 11 70.439 0.116 0.753 104 2HB LYS 11 HB1 LYS 11 70.783 -1.598 0.529 105 1HG LYS 11 HG2 LYS 11 68.572 -2.232 1.089 106 2HG LYS 11 HG1 LYS 11 68.217 -0.665 1.813 107 1HD LYS 11 HD2 LYS 11 68.905 0.063 -0.745 108 2HD LYS 11 HD1 LYS 11 68.119 -1.492 -1.018 109 1HE LYS 11 HE2 LYS 11 66.104 -0.767 0.050 110 2HE LYS 11 HE1 LYS 11 66.887 0.675 0.696 111 1HZ LYS 11 HZ3 LYS 11 66.477 0.103 -2.189 112 2HZ LYS 11 HZ2 LYS 11 65.521 1.153 -1.256 113 3HZ LYS 11 HZ1 LYS 11 67.158 1.512 -1.535 114 NH1 ARG 12 NH2 ARG 12 71.983 -1.312 8.908 115 NH2 ARG 12 NH1 ARG 12 70.226 -1.799 10.242 116 H ARG 12 HN ARG 12 71.908 1.070 3.485 117 HA ARG 12 HA ARG 12 69.421 2.426 4.427 118 1HB ARG 12 HB2 ARG 12 71.805 1.628 6.091 119 2HB ARG 12 HB1 ARG 12 70.839 3.039 6.525 120 1HG ARG 12 HG2 ARG 12 68.817 1.674 6.623 121 2HG ARG 12 HG1 ARG 12 69.717 0.257 6.081 122 1HD ARG 12 HD2 ARG 12 71.210 1.087 8.243 123 2HD ARG 12 HD1 ARG 12 69.567 1.471 8.759 124 HE ARG 12 HE ARG 12 69.155 -1.031 7.952 125 1HH1 ARG 12 HH21 ARG 12 72.353 -0.873 8.089 126 2HH1 ARG 12 HH22 ARG 12 72.590 -1.814 9.524 127 1HH2 ARG 12 HH11 ARG 12 69.249 -1.734 10.447 128 2HH2 ARG 12 HH12 ARG 12 70.834 -2.302 10.858 129 H THR 13 HN THR 13 70.850 3.100 2.135 130 HA THR 13 HA THR 13 72.786 5.209 2.710 131 HB THR 13 HB THR 13 72.671 5.622 0.296 132 HG1 THR 13 HG1 THR 13 71.129 4.687 -0.940 133 1HG2 THR 13 HG23 THR 13 73.941 3.641 1.192 134 2HG2 THR 13 HG22 THR 13 72.541 2.644 0.796 135 3HG2 THR 13 HG21 THR 13 73.426 3.472 -0.486 136 H SER 14 HN SER 14 69.359 4.902 2.041 137 HA SER 14 HA SER 14 68.820 7.520 3.184 138 1HB SER 14 HB2 SER 14 69.385 7.726 0.583 139 2HB SER 14 HB1 SER 14 67.723 7.167 0.418 140 HG SER 14 HG SER 14 67.952 9.479 0.555 141 H ILE 15 HN ILE 15 68.201 4.718 3.668 142 HA ILE 15 HA ILE 15 65.272 4.953 3.848 143 HB ILE 15 HB ILE 15 66.654 2.713 2.353 144 1HG1 ILE 15 HG12 ILE 15 66.058 4.737 1.048 145 2HG1 ILE 15 HG11 ILE 15 65.099 3.346 0.556 146 1HG2 ILE 15 HG23 ILE 15 64.091 2.734 3.849 147 2HG2 ILE 15 HG22 ILE 15 63.994 2.100 2.207 148 3HG2 ILE 15 HG21 ILE 15 65.101 1.371 3.370 149 1HD1 ILE 15 HD12 ILE 15 63.262 4.136 2.073 150 2HD1 ILE 15 HD11 ILE 15 64.201 5.591 2.394 151 3HD1 ILE 15 HD13 ILE 15 63.622 5.261 0.772 152 H GLU 16 HN GLU 16 66.062 5.189 6.090 153 HA GLU 16 HA GLU 16 67.275 3.016 7.497 154 1HB GLU 16 HB2 GLU 16 65.828 5.514 8.230 155 2HB GLU 16 HB1 GLU 16 65.858 4.234 9.443 156 1HG GLU 16 HG2 GLU 16 67.822 5.401 9.939 157 2HG GLU 16 HG1 GLU 16 68.418 4.128 8.875 158 H ASN 17 HN ASN 17 66.145 1.459 8.854 159 HA ASN 17 HA ASN 17 63.896 0.252 7.600 160 1HB ASN 17 HB2 ASN 17 63.729 -1.105 9.715 161 2HB ASN 17 HB1 ASN 17 65.350 -1.078 9.017 162 1HD2 ASN 17 HD22 ASN 17 64.657 0.934 12.533 163 2HD2 ASN 17 HD21 ASN 17 63.347 0.534 11.530 164 NH1 ARG 18 NH1 ARG 18 59.944 6.912 13.360 165 NH2 ARG 18 NH2 ARG 18 61.203 7.641 15.091 166 H ARG 18 HN ARG 18 64.108 2.703 10.076 167 HA ARG 18 HA ARG 18 61.304 2.472 10.847 168 1HB ARG 18 HB2 ARG 18 63.560 3.665 11.958 169 2HB ARG 18 HB1 ARG 18 62.603 5.043 11.415 170 1HG ARG 18 HG2 ARG 18 60.628 4.102 12.609 171 2HG ARG 18 HG1 ARG 18 61.643 2.791 13.207 172 1HD ARG 18 HD2 ARG 18 61.460 4.562 14.901 173 2HD ARG 18 HD1 ARG 18 63.118 4.451 14.311 174 HE ARG 18 HE ARG 18 62.753 6.511 13.056 175 1HH1 ARG 18 HH11 ARG 18 59.842 6.343 12.545 176 2HH1 ARG 18 HH12 ARG 18 59.188 7.491 13.665 177 1HH2 ARG 18 HH21 ARG 18 62.063 7.631 15.601 178 2HH2 ARG 18 HH22 ARG 18 60.447 8.221 15.397 179 H VAL 19 HN VAL 19 63.155 4.221 8.430 180 HA VAL 19 HA VAL 19 61.128 6.190 7.892 181 HB VAL 19 HB VAL 19 63.722 5.978 7.084 182 1HG1 VAL 19 HG13 VAL 19 62.069 5.205 4.652 183 2HG1 VAL 19 HG12 VAL 19 63.733 5.767 4.610 184 3HG1 VAL 19 HG11 VAL 19 63.345 4.238 5.397 185 1HG2 VAL 19 HG23 VAL 19 62.063 7.925 7.107 186 2HG2 VAL 19 HG22 VAL 19 63.269 7.962 5.820 187 3HG2 VAL 19 HG21 VAL 19 61.621 7.441 5.470 188 NH1 ARG 20 NH2 ARG 20 63.618 -0.794 2.647 189 NH2 ARG 20 NH1 ARG 20 62.486 -1.547 0.842 190 H ARG 20 HN ARG 20 61.900 3.051 6.401 191 HA ARG 20 HA ARG 20 59.808 3.165 4.449 192 1HB ARG 20 HB2 ARG 20 61.565 1.081 5.581 193 2HB ARG 20 HB1 ARG 20 60.017 0.485 4.982 194 1HG ARG 20 HG2 ARG 20 61.035 2.365 3.070 195 2HG ARG 20 HG1 ARG 20 62.331 1.239 3.468 196 1HD ARG 20 HD2 ARG 20 59.584 0.156 2.933 197 2HD ARG 20 HD1 ARG 20 60.594 0.641 1.571 198 HE ARG 20 HE ARG 20 61.028 -1.684 3.278 199 1HH1 ARG 20 HH21 ARG 20 63.621 -0.450 3.586 200 2HH1 ARG 20 HH22 ARG 20 64.480 -0.904 2.152 201 1HH2 ARG 20 HH11 ARG 20 61.622 -1.781 0.398 202 2HH2 ARG 20 HH12 ARG 20 63.348 -1.655 0.346 203 CH2 TRP 21 CH2 TRP 21 56.893 -2.967 5.324 204 H TRP 21 HN TRP 21 59.804 1.681 7.702 205 HA TRP 21 HA TRP 21 56.979 1.129 7.415 206 1HB TRP 21 HB2 TRP 21 59.022 0.549 9.419 207 2HB TRP 21 HB1 TRP 21 57.487 1.020 10.159 208 HD1 TRP 21 HD1 TRP 21 56.605 -1.388 10.812 209 HE1 TRP 21 HE1 TRP 21 55.810 -3.410 9.412 210 HE3 TRP 21 HE3 TRP 21 58.317 -0.026 6.206 211 HZ2 TRP 21 HZ2 TRP 21 55.890 -4.305 6.665 212 HZ3 TRP 21 HZ3 TRP 21 57.947 -1.430 4.232 213 HH2 TRP 21 HH2 TRP 21 56.717 -3.580 4.452 214 H SER 22 HN SER 22 58.668 3.994 7.958 215 HA SER 22 HA SER 22 56.634 5.324 9.559 216 1HB SER 22 HB2 SER 22 58.967 6.231 9.411 217 2HB SER 22 HB1 SER 22 58.721 6.517 7.692 218 HG SER 22 HG SER 22 57.739 7.870 9.898 219 H LEU 23 HN LEU 23 57.470 4.823 6.151 220 HA LEU 23 HA LEU 23 55.465 6.392 4.870 221 1HB LEU 23 HB2 LEU 23 56.446 3.613 4.093 222 2HB LEU 23 HB1 LEU 23 55.584 4.704 3.037 223 HG LEU 23 HG LEU 23 58.120 5.687 4.266 224 1HD1 LEU 23 HD13 LEU 23 58.213 3.223 3.191 225 2HD1 LEU 23 HD12 LEU 23 58.264 4.156 1.696 226 3HD1 LEU 23 HD11 LEU 23 59.504 4.395 2.926 227 1HD2 LEU 23 HD22 LEU 23 56.438 6.898 2.622 228 2HD2 LEU 23 HD21 LEU 23 58.175 7.060 2.362 229 3HD2 LEU 23 HD23 LEU 23 57.242 5.919 1.394 230 H GLU 24 HN GLU 24 55.459 3.131 6.202 231 HA GLU 24 HA GLU 24 52.823 2.340 5.533 232 1HB GLU 24 HB2 GLU 24 54.720 0.988 6.658 233 2HB GLU 24 HB1 GLU 24 54.102 1.647 8.173 234 1HG GLU 24 HG2 GLU 24 51.786 0.797 6.961 235 2HG GLU 24 HG1 GLU 24 52.941 -0.416 6.408 236 H THR 25 HN THR 25 53.899 3.830 8.600 237 HA THR 25 HA THR 25 51.360 4.044 9.800 238 HB THR 25 HB THR 25 53.539 6.107 10.134 239 HG1 THR 25 HG1 THR 25 53.351 3.488 11.206 240 1HG2 THR 25 HG21 THR 25 51.289 6.321 11.297 241 2HG2 THR 25 HG23 THR 25 51.689 4.837 12.161 242 3HG2 THR 25 HG22 THR 25 52.689 6.275 12.370 243 H MET 26 HN MET 26 52.780 5.996 7.252 244 HA MET 26 HA MET 26 50.756 8.121 7.612 245 1HB MET 26 HB2 MET 26 53.296 7.840 6.235 246 2HB MET 26 HB1 MET 26 52.077 8.504 5.149 247 1HG MET 26 HG2 MET 26 51.542 10.255 6.778 248 2HG MET 26 HG1 MET 26 52.698 9.570 7.921 249 1HE MET 26 HE2 MET 26 52.254 12.411 6.640 250 2HE MET 26 HE1 MET 26 53.526 12.985 5.564 251 3HE MET 26 HE3 MET 26 52.198 12.004 4.927 252 H PHE 27 HN PHE 27 51.193 5.263 5.639 253 HA PHE 27 HA PHE 27 49.060 6.091 3.772 254 1HB PHE 27 HB2 PHE 27 50.978 3.776 3.880 255 2HB PHE 27 HB1 PHE 27 49.533 3.685 2.878 256 HD1 PHE 27 HD2 PHE 27 49.060 5.797 1.365 257 HD2 PHE 27 HD1 PHE 27 52.902 4.773 2.989 258 HE1 PHE 27 HE2 PHE 27 50.167 7.170 -0.377 259 HE2 PHE 27 HE1 PHE 27 54.005 6.147 1.247 260 HZ PHE 27 HZ PHE 27 52.637 7.344 -0.434 261 H LEU 28 HN LEU 28 49.238 4.448 6.765 262 HA LEU 28 HA LEU 28 46.926 2.722 6.169 263 1HB LEU 28 HB2 LEU 28 48.609 3.090 8.655 264 2HB LEU 28 HB1 LEU 28 47.228 1.994 8.561 265 HG LEU 28 HG LEU 28 49.617 1.905 6.695 266 1HD1 LEU 28 HD12 LEU 28 48.931 0.328 9.180 267 2HD1 LEU 28 HD11 LEU 28 50.058 -0.271 7.961 268 3HD1 LEU 28 HD13 LEU 28 50.412 1.222 8.832 269 1HD2 LEU 28 HD21 LEU 28 46.989 0.771 6.535 270 2HD2 LEU 28 HD23 LEU 28 48.355 0.511 5.451 271 3HD2 LEU 28 HD22 LEU 28 48.122 -0.543 6.844 272 H LYS 29 HN LYS 29 46.666 5.729 6.227 273 HA LYS 29 HA LYS 29 44.625 5.916 8.400 274 1HB LYS 29 HB2 LYS 29 44.890 8.350 8.289 275 2HB LYS 29 HB1 LYS 29 46.463 7.605 8.555 276 1HG LYS 29 HG2 LYS 29 46.768 7.698 6.007 277 2HG LYS 29 HG1 LYS 29 45.364 8.764 5.986 278 1HD LYS 29 HD2 LYS 29 46.660 10.089 7.832 279 2HD LYS 29 HD1 LYS 29 48.072 9.235 7.208 280 1HE LYS 29 HE2 LYS 29 46.307 10.442 5.155 281 2HE LYS 29 HE1 LYS 29 47.169 11.586 6.184 282 1HZ LYS 29 HZ1 LYS 29 49.210 10.219 5.688 283 2HZ LYS 29 HZ3 LYS 29 48.306 9.461 4.469 284 3HZ LYS 29 HZ2 LYS 29 48.592 11.134 4.396 285 H CYS 30 HN CYS 30 45.358 6.672 5.033 286 HA CYS 30 HA CYS 30 42.502 6.361 4.362 287 1HB CYS 30 HB2 CYS 30 44.231 8.664 3.402 288 2HB CYS 30 HB1 CYS 30 42.563 8.355 2.921 289 HG CYS 30 HG CYS 30 43.265 9.934 5.292 290 HA PRO 31 HA PRO 31 44.769 4.096 1.180 291 1HB PRO 31 HB2 PRO 31 42.602 2.938 -0.017 292 2HB PRO 31 HB1 PRO 31 43.252 2.372 1.533 293 1HG PRO 31 HG2 PRO 31 40.760 3.901 0.993 294 2HG PRO 31 HG1 PRO 31 41.157 2.855 2.365 295 1HD PRO 31 HD2 PRO 31 41.230 5.716 2.310 296 2HD PRO 31 HD1 PRO 31 41.789 4.659 3.625 297 H LYS 32 HN LYS 32 43.595 6.968 0.749 298 HA LYS 32 HA LYS 32 43.244 6.723 -2.185 299 1HB LYS 32 HB2 LYS 32 41.821 8.788 -1.996 300 2HB LYS 32 HB1 LYS 32 41.147 7.379 -1.175 301 1HG LYS 32 HG2 LYS 32 41.628 8.213 0.948 302 2HG LYS 32 HG1 LYS 32 42.938 9.236 0.359 303 1HD LYS 32 HD2 LYS 32 41.428 10.836 -0.542 304 2HD LYS 32 HD1 LYS 32 40.058 9.731 -0.413 305 1HE LYS 32 HE2 LYS 32 40.515 9.751 2.125 306 2HE LYS 32 HE1 LYS 32 41.519 11.165 1.806 307 1HZ LYS 32 HZ2 LYS 32 39.563 12.154 0.667 308 2HZ LYS 32 HZ1 LYS 32 38.628 10.849 1.223 309 3HZ LYS 32 HZ3 LYS 32 39.342 11.913 2.334 310 HA PRO 33 HA PRO 33 46.689 9.781 -1.035 311 1HB PRO 33 HB2 PRO 33 48.871 8.339 -1.881 312 2HB PRO 33 HB1 PRO 33 48.282 8.334 -0.209 313 1HG PRO 33 HG2 PRO 33 47.985 6.237 -2.315 314 2HG PRO 33 HG1 PRO 33 48.073 6.057 -0.554 315 1HD PRO 33 HD2 PRO 33 45.704 5.934 -2.062 316 2HD PRO 33 HD1 PRO 33 45.799 6.226 -0.312 317 H SER 34 HN SER 34 47.903 10.984 -2.679 318 HA SER 34 HA SER 34 46.831 10.562 -5.390 319 1HB SER 34 HB2 SER 34 48.058 12.817 -3.898 320 2HB SER 34 HB1 SER 34 48.326 12.779 -5.638 321 HG SER 34 HG SER 34 45.975 13.104 -4.175 322 H LEU 35 HN LEU 35 48.133 10.114 -7.203 323 HA LEU 35 HA LEU 35 50.597 8.720 -6.718 324 1HB LEU 35 HB2 LEU 35 50.058 7.986 -8.794 325 2HB LEU 35 HB1 LEU 35 48.843 9.243 -8.955 326 HG LEU 35 HG LEU 35 50.751 10.799 -9.632 327 1HD1 LEU 35 HD11 LEU 35 52.386 8.856 -8.745 328 2HD1 LEU 35 HD13 LEU 35 52.287 8.381 -10.440 329 3HD1 LEU 35 HD12 LEU 35 52.870 9.988 -10.008 330 1HD2 LEU 35 HD23 LEU 35 49.856 8.423 -11.257 331 2HD2 LEU 35 HD22 LEU 35 49.309 10.095 -11.368 332 3HD2 LEU 35 HD21 LEU 35 50.912 9.652 -11.953 333 H GLN 36 HN GLN 36 49.723 12.062 -7.148 334 HA GLN 36 HA GLN 36 52.345 13.081 -7.852 335 1HB GLN 36 HB2 GLN 36 49.814 14.176 -7.643 336 2HB GLN 36 HB1 GLN 36 50.607 14.821 -6.206 337 1HG GLN 36 HG2 GLN 36 52.301 15.881 -7.476 338 2HG GLN 36 HG1 GLN 36 51.941 14.921 -8.912 339 1HE2 GLN 36 HE22 GLN 36 49.586 18.165 -8.029 340 2HE2 GLN 36 HE21 GLN 36 50.593 17.512 -6.830 341 H GLN 37 HN GLN 37 50.552 12.455 -4.878 342 HA GLN 37 HA GLN 37 52.565 13.428 -3.063 343 1HB GLN 37 HB2 GLN 37 50.157 12.992 -2.452 344 2HB GLN 37 HB1 GLN 37 50.498 11.265 -2.555 345 1HG GLN 37 HG2 GLN 37 51.553 11.242 -0.550 346 2HG GLN 37 HG1 GLN 37 52.456 12.712 -0.913 347 1HE2 GLN 37 HE22 GLN 37 48.645 13.469 0.415 348 2HE2 GLN 37 HE21 GLN 37 48.886 12.373 -0.859 349 H ILE 38 HN ILE 38 52.149 10.470 -4.908 350 HA ILE 38 HA ILE 38 53.981 8.877 -3.341 351 HB ILE 38 HB ILE 38 52.839 8.589 -6.137 352 1HG1 ILE 38 HG12 ILE 38 51.345 8.107 -4.241 353 2HG1 ILE 38 HG11 ILE 38 51.748 6.613 -5.085 354 1HG2 ILE 38 HG21 ILE 38 54.985 6.940 -4.772 355 2HG2 ILE 38 HG23 ILE 38 53.876 6.194 -5.924 356 3HG2 ILE 38 HG22 ILE 38 54.932 7.509 -6.440 357 1HD1 ILE 38 HD13 ILE 38 53.704 6.470 -3.318 358 2HD1 ILE 38 HD12 ILE 38 52.697 7.585 -2.397 359 3HD1 ILE 38 HD11 ILE 38 52.073 5.997 -2.841 360 H THR 39 HN THR 39 54.238 11.136 -5.997 361 HA THR 39 HA THR 39 56.985 10.608 -6.693 362 HB THR 39 HB THR 39 55.587 13.292 -6.861 363 HG1 THR 39 HG1 THR 39 54.232 12.317 -8.109 364 1HG2 THR 39 HG21 THR 39 58.140 12.663 -7.463 365 2HG2 THR 39 HG23 THR 39 57.367 12.231 -8.988 366 3HG2 THR 39 HG22 THR 39 57.218 13.871 -8.357 367 H HIS 40 HN HIS 40 55.427 12.994 -4.575 368 HA HIS 40 HA HIS 40 57.874 14.043 -3.470 369 1HB HIS 40 HB2 HIS 40 55.051 14.497 -3.167 370 2HB HIS 40 HB1 HIS 40 55.750 14.275 -1.564 371 HD1 HIS 40 HD1 HIS 40 56.109 16.593 -0.686 372 HD2 HIS 40 HD2 HIS 40 57.361 16.233 -4.646 373 HE1 HIS 40 HE1 HIS 40 57.195 18.798 -1.298 374 H ILE 41 HN ILE 41 56.097 11.120 -2.944 375 HA ILE 41 HA ILE 41 57.002 10.579 -0.259 376 HB ILE 41 HB ILE 41 55.448 9.262 -2.314 377 1HG1 ILE 41 HG12 ILE 41 55.029 7.861 0.029 378 2HG1 ILE 41 HG11 ILE 41 55.639 9.407 0.616 379 1HG2 ILE 41 HG22 ILE 41 57.528 7.525 -0.980 380 2HG2 ILE 41 HG21 ILE 41 56.024 6.878 -1.635 381 3HG2 ILE 41 HG23 ILE 41 57.185 7.667 -2.704 382 1HD1 ILE 41 HD11 ILE 41 53.458 9.260 -1.464 383 2HD1 ILE 41 HD13 ILE 41 53.095 9.204 0.260 384 3HD1 ILE 41 HD12 ILE 41 53.891 10.619 -0.428 385 H ALA 42 HN ALA 42 58.145 9.873 -3.517 386 HA ALA 42 HA ALA 42 60.406 8.305 -2.866 387 1HB ALA 42 HB1 ALA 42 59.752 10.098 -5.194 388 2HB ALA 42 HB3 ALA 42 61.289 9.238 -5.105 389 3HB ALA 42 HB2 ALA 42 59.774 8.335 -5.147 390 H ASN 43 HN ASN 43 60.242 11.807 -3.538 391 HA ASN 43 HA ASN 43 62.947 12.342 -2.755 392 1HB ASN 43 HB2 ASN 43 60.484 14.115 -2.679 393 2HB ASN 43 HB1 ASN 43 62.130 14.694 -2.414 394 1HD2 ASN 43 HD22 ASN 43 62.281 15.259 -5.902 395 2HD2 ASN 43 HD21 ASN 43 62.313 15.952 -4.353 396 H GLN 44 HN GLN 44 60.066 11.619 -0.987 397 HA GLN 44 HA GLN 44 60.769 12.763 1.542 398 1HB GLN 44 HB2 GLN 44 58.613 11.342 0.393 399 2HB GLN 44 HB1 GLN 44 59.103 10.434 1.814 400 1HG GLN 44 HG2 GLN 44 58.626 13.421 1.866 401 2HG GLN 44 HG1 GLN 44 57.343 12.251 2.177 402 1HE2 GLN 44 HE22 GLN 44 58.304 11.964 5.539 403 2HE2 GLN 44 HE21 GLN 44 57.057 11.996 4.387 404 H LEU 45 HN LEU 45 61.385 9.582 0.060 405 HA LEU 45 HA LEU 45 63.212 9.049 2.351 406 1HB LEU 45 HB2 LEU 45 62.592 6.758 2.466 407 2HB LEU 45 HB1 LEU 45 61.089 7.665 2.407 408 HG LEU 45 HG LEU 45 62.345 6.501 -0.081 409 1HD1 LEU 45 HD11 LEU 45 61.215 5.060 2.131 410 2HD1 LEU 45 HD13 LEU 45 60.086 4.968 0.779 411 3HD1 LEU 45 HD12 LEU 45 61.752 4.430 0.576 412 1HD2 LEU 45 HD22 LEU 45 59.813 7.849 0.690 413 2HD2 LEU 45 HD21 LEU 45 60.709 7.906 -0.828 414 3HD2 LEU 45 HD23 LEU 45 59.684 6.520 -0.464 415 H GLY 46 HN GLY 46 63.655 10.130 -0.415 416 1HA GLY 46 HA2 GLY 46 65.143 9.861 -2.212 417 2HA GLY 46 HA1 GLY 46 66.209 9.294 -0.939 418 H LEU 47 HN LEU 47 63.324 7.511 -1.964 419 HA LEU 47 HA LEU 47 65.165 5.362 -2.909 420 1HB LEU 47 HB2 LEU 47 63.705 3.754 -2.161 421 2HB LEU 47 HB1 LEU 47 63.238 5.039 -1.070 422 HG LEU 47 HG LEU 47 61.833 4.244 -3.620 423 1HD1 LEU 47 HD11 LEU 47 61.631 3.180 -1.062 424 2HD1 LEU 47 HD13 LEU 47 60.295 4.330 -1.130 425 3HD1 LEU 47 HD12 LEU 47 60.411 3.045 -2.327 426 1HD2 LEU 47 HD22 LEU 47 61.704 6.683 -1.994 427 2HD2 LEU 47 HD21 LEU 47 61.253 6.432 -3.672 428 3HD2 LEU 47 HD23 LEU 47 60.146 5.975 -2.380 429 H GLU 48 HN GLU 48 64.051 3.948 -4.688 430 HA GLU 48 HA GLU 48 63.384 5.783 -6.903 431 1HB GLU 48 HB2 GLU 48 65.078 3.826 -7.044 432 2HB GLU 48 HB1 GLU 48 63.660 2.778 -7.090 433 1HG GLU 48 HG2 GLU 48 62.870 3.762 -9.109 434 2HG GLU 48 HG1 GLU 48 63.982 5.124 -8.969 435 H LYS 49 HN LYS 49 61.408 5.593 -8.041 436 HA LYS 49 HA LYS 49 59.085 5.041 -6.534 437 1HB LYS 49 HB2 LYS 49 59.393 6.376 -8.751 438 2HB LYS 49 HB1 LYS 49 59.077 4.825 -9.529 439 1HG LYS 49 HG2 LYS 49 57.102 4.972 -7.572 440 2HG LYS 49 HG1 LYS 49 57.219 6.630 -8.158 441 1HD LYS 49 HD2 LYS 49 56.523 6.075 -10.290 442 2HD LYS 49 HD1 LYS 49 57.172 4.437 -10.188 443 1HE LYS 49 HE2 LYS 49 54.862 4.064 -10.045 444 2HE LYS 49 HE1 LYS 49 55.342 4.101 -8.348 445 1HZ LYS 49 HZ1 LYS 49 54.871 6.630 -8.619 446 2HZ LYS 49 HZ3 LYS 49 53.908 6.123 -9.920 447 3HZ LYS 49 HZ2 LYS 49 53.589 5.546 -8.354 448 H ASP 50 HN ASP 50 61.159 2.822 -8.212 449 HA ASP 50 HA ASP 50 59.177 0.767 -8.661 450 1HB ASP 50 HB2 ASP 50 61.419 0.954 -9.837 451 2HB ASP 50 HB1 ASP 50 62.164 0.386 -8.342 452 H VAL 51 HN VAL 51 61.451 1.485 -6.000 453 HA VAL 51 HA VAL 51 60.648 -0.964 -4.587 454 HB VAL 51 HB VAL 51 62.945 -0.078 -4.345 455 1HG1 VAL 51 HG11 VAL 51 61.502 2.380 -3.832 456 2HG1 VAL 51 HG13 VAL 51 62.612 2.034 -2.508 457 3HG1 VAL 51 HG12 VAL 51 63.214 2.151 -4.159 458 1HG2 VAL 51 HG22 VAL 51 61.181 -0.155 -1.889 459 2HG2 VAL 51 HG21 VAL 51 62.199 -1.441 -2.534 460 3HG2 VAL 51 HG23 VAL 51 62.936 -0.026 -1.782 461 H VAL 52 HN VAL 52 59.667 2.384 -4.720 462 HA VAL 52 HA VAL 52 58.217 2.322 -2.201 463 HB VAL 52 HB VAL 52 59.137 4.366 -3.701 464 1HG1 VAL 52 HG13 VAL 52 57.230 3.725 -5.418 465 2HG1 VAL 52 HG12 VAL 52 56.226 4.661 -4.310 466 3HG1 VAL 52 HG11 VAL 52 57.620 5.413 -5.085 467 1HG2 VAL 52 HG21 VAL 52 57.830 4.118 -1.359 468 2HG2 VAL 52 HG23 VAL 52 58.203 5.682 -2.082 469 3HG2 VAL 52 HG22 VAL 52 56.599 4.978 -2.284 470 NH1 ARG 53 NH1 ARG 53 52.538 1.002 -11.428 471 NH2 ARG 53 NH2 ARG 53 51.843 -0.791 -10.239 472 H ARG 53 HN ARG 53 57.529 1.541 -5.548 473 HA ARG 53 HA ARG 53 54.641 1.372 -5.125 474 1HB ARG 53 HB2 ARG 53 56.371 1.473 -7.360 475 2HB ARG 53 HB1 ARG 53 55.572 -0.093 -7.448 476 1HG ARG 53 HG2 ARG 53 53.775 2.141 -6.740 477 2HG ARG 53 HG1 ARG 53 54.486 2.266 -8.349 478 1HD ARG 53 HD2 ARG 53 53.802 -0.322 -8.432 479 2HD ARG 53 HD1 ARG 53 52.600 0.223 -7.262 480 HE ARG 53 HE ARG 53 52.024 1.993 -9.067 481 1HH1 ARG 53 HH11 ARG 53 52.867 1.946 -11.459 482 2HH1 ARG 53 HH12 ARG 53 52.413 0.488 -12.277 483 1HH2 ARG 53 HH21 ARG 53 51.639 -1.220 -9.360 484 2HH2 ARG 53 HH22 ARG 53 51.718 -1.305 -11.088 485 H VAL 54 HN VAL 54 57.386 -0.879 -5.247 486 HA VAL 54 HA VAL 54 55.851 -3.302 -5.136 487 HB VAL 54 HB VAL 54 58.616 -2.767 -3.993 488 1HG1 VAL 54 HG11 VAL 54 56.975 -5.224 -4.489 489 2HG1 VAL 54 HG13 VAL 54 58.718 -5.317 -4.741 490 3HG1 VAL 54 HG12 VAL 54 58.077 -4.866 -3.161 491 1HG2 VAL 54 HG21 VAL 54 57.896 -2.400 -6.587 492 2HG2 VAL 54 HG23 VAL 54 59.487 -2.987 -6.103 493 3HG2 VAL 54 HG22 VAL 54 58.242 -4.129 -6.609 494 CH2 TRP 55 CH2 TRP 55 53.673 2.225 3.134 495 H TRP 55 HN TRP 55 57.177 -1.207 -2.549 496 HA TRP 55 HA TRP 55 56.174 -2.883 -0.423 497 1HB TRP 55 HB2 TRP 55 57.883 -1.297 0.191 498 2HB TRP 55 HB1 TRP 55 56.968 0.050 -0.483 499 HD1 TRP 55 HD1 TRP 55 56.785 -2.490 2.456 500 HE1 TRP 55 HE1 TRP 55 55.321 -1.449 4.299 501 HE3 TRP 55 HE3 TRP 55 55.268 1.833 0.149 502 HZ2 TRP 55 HZ2 TRP 55 53.768 0.830 4.763 503 HZ3 TRP 55 HZ3 TRP 55 53.757 3.390 1.337 504 HH2 TRP 55 HH2 TRP 55 53.024 2.915 3.650 505 H PHE 56 HN PHE 56 54.807 -0.168 -2.303 506 HA PHE 56 HA PHE 56 52.387 -0.270 -0.666 507 1HB PHE 56 HB2 PHE 56 53.480 1.800 -2.077 508 2HB PHE 56 HB1 PHE 56 52.209 1.268 -3.183 509 HD1 PHE 56 HD2 PHE 56 52.456 1.335 0.543 510 HD2 PHE 56 HD1 PHE 56 50.295 2.656 -2.913 511 HE1 PHE 56 HE2 PHE 56 50.771 2.363 2.011 512 HE2 PHE 56 HE1 PHE 56 48.584 3.685 -1.435 513 HZ PHE 56 HZ PHE 56 48.833 3.523 1.038 514 H CYS 57 HN CYS 57 53.483 -2.262 -3.028 515 HA CYS 57 HA CYS 57 50.947 -2.633 -4.449 516 1HB CYS 57 HB2 CYS 57 53.270 -3.270 -5.372 517 2HB CYS 57 HB1 CYS 57 53.232 -4.622 -4.240 518 HG CYS 57 HG CYS 57 52.101 -4.979 -6.803 519 H ASN 58 HN ASN 58 52.755 -4.025 -1.768 520 HA ASN 58 HA ASN 58 50.626 -5.963 -1.144 521 1HB ASN 58 HB2 ASN 58 53.313 -5.274 -0.002 522 2HB ASN 58 HB1 ASN 58 52.146 -6.102 1.030 523 1HD2 ASN 58 HD22 ASN 58 52.426 -9.194 -0.675 524 2HD2 ASN 58 HD21 ASN 58 51.611 -8.314 0.526 525 NH1 ARG 59 NH1 ARG 59 50.934 -3.151 5.807 526 NH2 ARG 59 NH2 ARG 59 48.754 -2.980 5.231 527 H ARG 59 HN ARG 59 51.749 -2.779 -0.071 528 HA ARG 59 HA ARG 59 50.019 -2.670 2.256 529 1HB ARG 59 HB2 ARG 59 52.023 -0.953 1.120 530 2HB ARG 59 HB1 ARG 59 50.544 -0.010 1.260 531 1HG ARG 59 HG2 ARG 59 51.819 -1.603 3.497 532 2HG ARG 59 HG1 ARG 59 51.891 0.143 3.300 533 1HD ARG 59 HD2 ARG 59 49.693 0.461 3.911 534 2HD ARG 59 HD1 ARG 59 49.186 -1.117 3.312 535 HE ARG 59 HE ARG 59 50.261 -0.552 5.984 536 1HH1 ARG 59 HH11 ARG 59 51.828 -2.724 5.950 537 2HH1 ARG 59 HH12 ARG 59 50.820 -4.132 5.958 538 1HH2 ARG 59 HH21 ARG 59 47.977 -2.423 4.934 539 2HH2 ARG 59 HH22 ARG 59 48.636 -3.962 5.380 540 NH1 ARG 60 NH1 ARG 60 47.699 1.118 -7.319 541 NH2 ARG 60 NH2 ARG 60 46.047 2.327 -6.361 542 H ARG 60 HN ARG 60 49.531 -2.263 -1.162 543 HA ARG 60 HA ARG 60 47.096 -0.659 -0.888 544 1HB ARG 60 HB2 ARG 60 48.628 -1.913 -3.121 545 2HB ARG 60 HB1 ARG 60 46.904 -1.644 -3.385 546 1HG ARG 60 HG2 ARG 60 47.180 0.728 -2.739 547 2HG ARG 60 HG1 ARG 60 48.906 0.457 -2.508 548 1HD ARG 60 HD2 ARG 60 48.888 1.269 -4.684 549 2HD ARG 60 HD1 ARG 60 48.780 -0.466 -4.981 550 HE ARG 60 HE ARG 60 46.162 0.155 -4.903 551 1HH1 ARG 60 HH11 ARG 60 48.358 0.367 -7.278 552 2HH1 ARG 60 HH12 ARG 60 47.649 1.696 -8.134 553 1HH2 ARG 60 HH21 ARG 60 45.440 2.503 -5.586 554 2HH2 ARG 60 HH22 ARG 60 45.997 2.906 -7.176 555 H GLN 61 HN GLN 61 47.953 -4.061 -1.353 556 HA GLN 61 HA GLN 61 45.078 -4.764 -0.881 557 1HB GLN 61 HB2 GLN 61 47.179 -6.277 -2.466 558 2HB GLN 61 HB1 GLN 61 45.546 -6.858 -2.142 559 1HG GLN 61 HG2 GLN 61 45.919 -4.152 -3.388 560 2HG GLN 61 HG1 GLN 61 46.060 -5.592 -4.395 561 1HE2 GLN 61 HE22 GLN 61 42.494 -4.749 -4.582 562 2HE2 GLN 61 HE21 GLN 61 43.971 -4.178 -5.195 563 H LYS 62 HN LYS 62 45.958 -4.476 1.431 564 HA LYS 62 HA LYS 62 47.700 -6.598 2.434 565 1HB LYS 62 HB2 LYS 62 47.107 -5.644 4.667 566 2HB LYS 62 HB1 LYS 62 47.722 -4.431 3.545 567 1HG LYS 62 HG2 LYS 62 45.774 -3.284 3.560 568 2HG LYS 62 HG1 LYS 62 44.821 -4.749 3.328 569 1HD LYS 62 HD2 LYS 62 46.073 -4.277 6.008 570 2HD LYS 62 HD1 LYS 62 44.633 -3.353 5.578 571 1HE LYS 62 HE2 LYS 62 43.844 -5.820 4.792 572 2HE LYS 62 HE1 LYS 62 44.928 -6.259 6.111 573 1HZ LYS 62 HZ2 LYS 62 43.725 -4.702 7.540 574 2HZ LYS 62 HZ1 LYS 62 42.647 -4.365 6.271 575 3HZ LYS 62 HZ3 LYS 62 42.706 -5.922 6.940 576 H GLY 63 HN GLY 63 44.324 -6.296 1.767 577 1HA GLY 63 HA2 GLY 63 43.578 -8.403 3.699 578 2HA GLY 63 HA1 GLY 63 42.466 -7.505 2.665 579 H LYS 64 HN LYS 64 44.118 -7.945 0.250 580 HA LYS 64 HA LYS 64 43.020 -10.557 -0.466 581 1HB LYS 64 HB2 LYS 64 43.565 -8.250 -1.882 582 2HB LYS 64 HB1 LYS 64 44.881 -9.313 -2.380 583 1HG LYS 64 HG2 LYS 64 43.423 -10.908 -3.289 584 2HG LYS 64 HG1 LYS 64 42.057 -10.351 -2.322 585 1HD LYS 64 HD2 LYS 64 41.526 -9.456 -4.409 586 2HD LYS 64 HD1 LYS 64 42.394 -8.112 -3.668 587 1HE LYS 64 HE2 LYS 64 44.512 -9.116 -4.731 588 2HE LYS 64 HE1 LYS 64 43.414 -10.093 -5.705 589 1HZ LYS 64 HZ2 LYS 64 42.984 -7.191 -5.527 590 2HZ LYS 64 HZ1 LYS 64 44.199 -7.785 -6.555 591 3HZ LYS 64 HZ3 LYS 64 42.589 -8.265 -6.783 592 NH1 ARG 65 NH1 ARG 65 51.133 -14.045 -5.071 593 NH2 ARG 65 NH2 ARG 65 51.052 -12.052 -6.135 594 H ARG 65 HN ARG 65 46.314 -9.267 -0.937 595 HA ARG 65 HA ARG 65 47.329 -11.970 -0.157 596 1HB ARG 65 HB2 ARG 65 47.578 -10.969 -2.632 597 2HB ARG 65 HB1 ARG 65 48.984 -10.198 -1.896 598 1HG ARG 65 HG2 ARG 65 49.426 -12.622 -0.941 599 2HG ARG 65 HG1 ARG 65 48.422 -13.115 -2.304 600 1HD ARG 65 HD2 ARG 65 50.655 -11.166 -2.768 601 2HD ARG 65 HD1 ARG 65 51.029 -12.882 -2.612 602 HE ARG 65 HE ARG 65 48.891 -12.210 -4.528 603 1HH1 ARG 65 HH11 ARG 65 50.838 -14.640 -4.323 604 2HH1 ARG 65 HH12 ARG 65 51.785 -14.381 -5.750 605 1HH2 ARG 65 HH21 ARG 65 50.694 -11.120 -6.202 606 2HH2 ARG 65 HH22 ARG 65 51.702 -12.388 -6.816 607 H SER 66 HN SER 66 48.351 -11.852 1.769 608 HA SER 66 HA SER 66 50.301 -9.694 2.254 609 1HB SER 66 HB2 SER 66 47.756 -9.330 3.219 610 2HB SER 66 HB1 SER 66 48.533 -10.135 4.578 611 HG SER 66 HG SER 66 50.145 -8.550 4.518 612 H SER 67 HN SER 67 52.010 -11.085 2.520 613 HA SER 67 HA SER 67 51.985 -12.833 4.888 614 1HB SER 67 HB2 SER 67 51.118 -14.193 2.897 615 2HB SER 67 HB1 SER 67 52.729 -14.020 2.205 616 HG SER 67 HG SER 67 52.181 -15.040 4.800 Start of MODEL 17 Raw file had 616 H/Q atoms Start of MODEL 17 1 1H MET 1 HT2 MET 1 48.004 10.094 19.784 2 2H MET 1 HT1 MET 1 47.814 8.672 18.873 3 3H MET 1 HT3 MET 1 49.332 9.067 19.520 4 HA MET 1 HA MET 1 49.553 10.943 18.080 5 1HB MET 1 HB2 MET 1 50.010 8.541 17.259 6 2HB MET 1 HB1 MET 1 48.494 8.691 16.369 7 1HG MET 1 HG2 MET 1 49.354 10.724 15.253 8 2HG MET 1 HG1 MET 1 50.875 10.556 16.130 9 1HE MET 1 HE1 MET 1 49.516 10.604 13.220 10 2HE MET 1 HE3 MET 1 50.265 9.425 12.135 11 3HE MET 1 HE2 MET 1 48.760 9.034 12.963 12 H GLU 2 HN GLU 2 47.966 12.559 18.348 13 HA GLU 2 HA GLU 2 45.750 12.431 16.368 14 1HB GLU 2 HB2 GLU 2 45.151 11.925 18.927 15 2HB GLU 2 HB1 GLU 2 45.170 13.687 19.017 16 1HG GLU 2 HG2 GLU 2 42.917 13.021 18.478 17 2HG GLU 2 HG1 GLU 2 43.624 13.718 17.019 18 H THR 3 HN THR 3 47.478 13.833 15.324 19 HA THR 3 HA THR 3 47.889 16.490 16.480 20 HB THR 3 HB THR 3 49.175 16.879 14.393 21 HG1 THR 3 HG1 THR 3 49.394 15.043 13.001 22 1HG2 THR 3 HG22 THR 3 49.946 15.452 16.495 23 2HG2 THR 3 HG21 THR 3 49.994 14.155 15.301 24 3HG2 THR 3 HG23 THR 3 50.977 15.601 15.072 25 H LEU 4 HN LEU 4 47.620 18.294 14.578 26 HA LEU 4 HA LEU 4 44.959 17.961 13.292 27 1HB LEU 4 HB2 LEU 4 44.336 20.264 14.109 28 2HB LEU 4 HB1 LEU 4 44.429 19.051 15.385 29 HG LEU 4 HG LEU 4 47.042 20.229 15.007 30 1HD1 LEU 4 HD11 LEU 4 45.691 22.153 14.121 31 2HD1 LEU 4 HD13 LEU 4 44.854 22.218 15.672 32 3HD1 LEU 4 HD12 LEU 4 46.587 22.536 15.591 33 1HD2 LEU 4 HD23 LEU 4 45.971 19.088 17.043 34 2HD2 LEU 4 HD22 LEU 4 46.913 20.543 17.365 35 3HD2 LEU 4 HD21 LEU 4 45.151 20.622 17.335 36 H VAL 5 HN VAL 5 46.885 17.756 11.633 37 HA VAL 5 HA VAL 5 46.989 20.307 10.185 38 HB VAL 5 HB VAL 5 48.930 20.515 11.673 39 1HG1 VAL 5 HG12 VAL 5 49.084 17.846 11.678 40 2HG1 VAL 5 HG11 VAL 5 50.286 18.169 10.427 41 3HG1 VAL 5 HG13 VAL 5 50.483 18.859 12.039 42 1HG2 VAL 5 HG23 VAL 5 49.124 20.358 8.758 43 2HG2 VAL 5 HG22 VAL 5 49.788 21.562 9.861 44 3HG2 VAL 5 HG21 VAL 5 50.681 20.077 9.538 45 H GLN 6 HN GLN 6 45.722 18.972 8.734 46 HA GLN 6 HA GLN 6 47.293 16.872 7.297 47 1HB GLN 6 HB2 GLN 6 45.037 16.161 6.411 48 2HB GLN 6 HB1 GLN 6 45.226 15.967 8.152 49 1HG GLN 6 HG2 GLN 6 43.544 17.411 8.581 50 2HG GLN 6 HG1 GLN 6 44.228 18.627 7.504 51 1HE2 GLN 6 HE22 GLN 6 41.942 17.965 4.921 52 2HE2 GLN 6 HE21 GLN 6 43.169 18.964 5.535 53 H ALA 7 HN ALA 7 48.368 18.057 5.729 54 HA ALA 7 HA ALA 7 47.313 20.319 4.355 55 1HB ALA 7 HB3 ALA 7 49.753 19.075 4.457 56 2HB ALA 7 HB2 ALA 7 49.211 18.645 2.835 57 3HB ALA 7 HB1 ALA 7 49.332 20.340 3.304 58 NH1 ARG 8 NH1 ARG 8 46.200 24.354 0.473 59 NH2 ARG 8 NH2 ARG 8 46.980 23.846 -1.588 60 H ARG 8 HN ARG 8 47.685 19.632 1.606 61 HA ARG 8 HA ARG 8 45.613 17.588 1.092 62 1HB ARG 8 HB2 ARG 8 44.594 19.175 -0.608 63 2HB ARG 8 HB1 ARG 8 44.344 19.628 1.078 64 1HG ARG 8 HG2 ARG 8 45.664 21.483 0.913 65 2HG ARG 8 HG1 ARG 8 46.822 20.687 -0.152 66 1HD ARG 8 HD2 ARG 8 45.768 21.404 -2.034 67 2HD ARG 8 HD1 ARG 8 44.164 21.122 -1.358 68 HE ARG 8 HE ARG 8 44.110 23.417 -0.873 69 1HH1 ARG 8 HH11 ARG 8 45.496 24.269 1.177 70 2HH1 ARG 8 HH12 ARG 8 47.012 24.913 0.643 71 1HH2 ARG 8 HH21 ARG 8 46.873 23.371 -2.462 72 2HH2 ARG 8 HH22 ARG 8 47.793 24.403 -1.419 73 H LYS 9 HN LYS 9 48.607 17.854 0.667 74 HA LYS 9 HA LYS 9 48.584 16.982 -2.141 75 1HB LYS 9 HB2 LYS 9 50.101 19.357 -1.089 76 2HB LYS 9 HB1 LYS 9 50.732 18.428 -2.449 77 1HG LYS 9 HG2 LYS 9 47.937 19.594 -2.360 78 2HG LYS 9 HG1 LYS 9 49.308 20.392 -3.127 79 1HD LYS 9 HD2 LYS 9 49.596 18.126 -4.398 80 2HD LYS 9 HD1 LYS 9 47.918 17.849 -3.929 81 1HE LYS 9 HE2 LYS 9 48.620 20.498 -5.124 82 2HE LYS 9 HE1 LYS 9 48.520 19.105 -6.201 83 1HZ LYS 9 HZ1 LYS 9 46.371 19.574 -4.252 84 2HZ LYS 9 HZ3 LYS 9 46.411 20.501 -5.672 85 3HZ LYS 9 HZ2 LYS 9 46.305 18.808 -5.767 86 NH1 ARG 10 NH2 ARG 10 53.332 19.696 1.785 87 NH2 ARG 10 NH1 ARG 10 54.786 19.378 3.488 88 H ARG 10 HN ARG 10 49.127 15.879 0.674 89 HA ARG 10 HA ARG 10 51.427 14.277 -0.088 90 1HB ARG 10 HB2 ARG 10 52.699 14.860 2.033 91 2HB ARG 10 HB1 ARG 10 52.686 16.118 0.798 92 1HG ARG 10 HG2 ARG 10 50.977 17.351 1.952 93 2HG ARG 10 HG1 ARG 10 50.693 16.021 3.075 94 1HD ARG 10 HD2 ARG 10 52.094 17.895 4.022 95 2HD ARG 10 HD1 ARG 10 52.867 16.311 4.082 96 HE ARG 10 HE ARG 10 54.202 17.010 2.091 97 1HH1 ARG 10 HH21 ARG 10 52.672 19.329 1.131 98 2HH1 ARG 10 HH22 ARG 10 53.539 20.675 1.790 99 1HH2 ARG 10 HH11 ARG 10 55.238 18.767 4.137 100 2HH2 ARG 10 HH12 ARG 10 54.994 20.356 3.493 101 H LYS 11 HN LYS 11 48.711 13.670 0.500 102 HA LYS 11 HA LYS 11 48.537 12.650 3.220 103 1HB LYS 11 HB2 LYS 11 46.795 12.392 0.767 104 2HB LYS 11 HB1 LYS 11 46.438 11.520 2.258 105 1HG LYS 11 HG2 LYS 11 46.830 13.979 3.286 106 2HG LYS 11 HG1 LYS 11 46.263 14.433 1.679 107 1HD LYS 11 HD2 LYS 11 44.756 12.309 3.149 108 2HD LYS 11 HD1 LYS 11 44.546 13.983 3.664 109 1HE LYS 11 HE2 LYS 11 43.600 14.631 1.641 110 2HE LYS 11 HE1 LYS 11 44.388 13.336 0.739 111 1HZ LYS 11 HZ1 LYS 11 42.911 11.860 2.298 112 2HZ LYS 11 HZ3 LYS 11 41.954 13.259 2.370 113 3HZ LYS 11 HZ2 LYS 11 42.277 12.527 0.870 114 NH1 ARG 12 NH2 ARG 12 56.396 13.117 2.675 115 NH2 ARG 12 NH1 ARG 12 56.295 12.413 0.529 116 H ARG 12 HN ARG 12 50.422 11.265 3.273 117 HA ARG 12 HA ARG 12 50.018 8.699 1.791 118 1HB ARG 12 HB2 ARG 12 52.539 8.494 1.804 119 2HB ARG 12 HB1 ARG 12 51.917 9.792 0.784 120 1HG ARG 12 HG2 ARG 12 52.313 11.402 2.648 121 2HG ARG 12 HG1 ARG 12 53.030 10.094 3.590 122 1HD ARG 12 HD2 ARG 12 54.975 10.170 2.424 123 2HD ARG 12 HD1 ARG 12 54.146 10.339 0.877 124 HE ARG 12 HE ARG 12 53.791 12.811 2.027 125 1HH1 ARG 12 HH21 ARG 12 55.964 13.232 3.570 126 2HH1 ARG 12 HH22 ARG 12 57.336 13.426 2.530 127 1HH2 ARG 12 HH11 ARG 12 55.787 11.988 -0.219 128 2HH2 ARG 12 HH12 ARG 12 57.235 12.722 0.383 129 H THR 13 HN THR 13 48.808 8.617 4.079 130 HA THR 13 HA THR 13 50.663 7.838 6.255 131 HB THR 13 HB THR 13 47.634 7.800 6.298 132 HG1 THR 13 HG1 THR 13 49.446 9.890 6.924 133 1HG2 THR 13 HG21 THR 13 49.214 6.687 8.084 134 2HG2 THR 13 HG23 THR 13 49.455 8.350 8.617 135 3HG2 THR 13 HG22 THR 13 47.836 7.652 8.612 136 H SER 14 HN SER 14 48.404 6.438 3.961 137 HA SER 14 HA SER 14 48.941 3.727 5.095 138 1HB SER 14 HB2 SER 14 46.937 2.998 3.952 139 2HB SER 14 HB1 SER 14 46.543 4.471 4.834 140 HG SER 14 HG SER 14 46.562 3.977 2.150 141 H ILE 15 HN ILE 15 48.507 2.149 2.895 142 HA ILE 15 HA ILE 15 50.925 2.639 1.317 143 HB ILE 15 HB ILE 15 48.852 0.433 1.294 144 1HG1 ILE 15 HG12 ILE 15 50.457 0.512 3.195 145 2HG1 ILE 15 HG11 ILE 15 50.696 -0.914 2.187 146 1HG2 ILE 15 HG21 ILE 15 50.776 1.158 -0.779 147 2HG2 ILE 15 HG23 ILE 15 51.096 -0.453 -0.141 148 3HG2 ILE 15 HG22 ILE 15 49.512 -0.071 -0.815 149 1HD1 ILE 15 HD11 ILE 15 52.495 0.410 0.951 150 2HD1 ILE 15 HD13 ILE 15 52.356 1.620 2.225 151 3HD1 ILE 15 HD12 ILE 15 52.880 -0.017 2.613 152 H GLU 16 HN GLU 16 50.407 4.546 0.143 153 HA GLU 16 HA GLU 16 48.070 4.676 -1.569 154 1HB GLU 16 HB2 GLU 16 49.658 6.616 -0.652 155 2HB GLU 16 HB1 GLU 16 50.538 6.275 -2.143 156 1HG GLU 16 HG2 GLU 16 48.615 6.739 -3.493 157 2HG GLU 16 HG1 GLU 16 47.553 6.771 -2.085 158 H ASN 17 HN ASN 17 48.128 4.335 -3.879 159 HA ASN 17 HA ASN 17 49.675 2.112 -4.730 160 1HB ASN 17 HB2 ASN 17 47.505 3.123 -5.768 161 2HB ASN 17 HB1 ASN 17 48.610 4.144 -6.687 162 1HD2 ASN 17 HD22 ASN 17 47.998 1.025 -8.669 163 2HD2 ASN 17 HD21 ASN 17 47.013 2.272 -8.072 164 NH1 ARG 18 NH1 ARG 18 50.217 10.149 -7.880 165 NH2 ARG 18 NH2 ARG 18 48.277 9.286 -7.104 166 H ARG 18 HN ARG 18 50.470 5.486 -4.615 167 HA ARG 18 HA ARG 18 52.717 5.208 -6.490 168 1HB ARG 18 HB2 ARG 18 51.490 7.427 -4.905 169 2HB ARG 18 HB1 ARG 18 53.193 7.581 -5.339 170 1HG ARG 18 HG2 ARG 18 51.861 8.596 -7.096 171 2HG ARG 18 HG1 ARG 18 52.569 7.106 -7.722 172 1HD ARG 18 HD2 ARG 18 50.546 6.041 -7.854 173 2HD ARG 18 HD1 ARG 18 49.911 6.845 -6.419 174 HE ARG 18 HE ARG 18 49.519 7.727 -9.127 175 1HH1 ARG 18 HH11 ARG 18 51.086 10.031 -8.359 176 2HH1 ARG 18 HH12 ARG 18 49.964 11.045 -7.516 177 1HH2 ARG 18 HH21 ARG 18 47.661 8.507 -6.989 178 2HH2 ARG 18 HH22 ARG 18 48.024 10.182 -6.740 179 H VAL 19 HN VAL 19 52.120 5.163 -3.019 180 HA VAL 19 HA VAL 19 54.862 5.416 -2.228 181 HB VAL 19 HB VAL 19 52.536 5.401 -0.813 182 1HG1 VAL 19 HG13 VAL 19 53.803 2.696 -0.255 183 2HG1 VAL 19 HG12 VAL 19 52.569 3.466 0.731 184 3HG1 VAL 19 HG11 VAL 19 52.190 2.969 -0.917 185 1HG2 VAL 19 HG21 VAL 19 55.414 5.000 -0.093 186 2HG2 VAL 19 HG23 VAL 19 54.376 6.398 0.190 187 3HG2 VAL 19 HG22 VAL 19 54.210 4.957 1.194 188 NH1 ARG 20 NH1 ARG 20 50.869 -4.675 -2.628 189 NH2 ARG 20 NH2 ARG 20 49.714 -3.519 -4.189 190 H ARG 20 HN ARG 20 52.823 2.586 -2.890 191 HA ARG 20 HA ARG 20 54.800 0.630 -2.250 192 1HB ARG 20 HB2 ARG 20 52.222 0.699 -3.675 193 2HB ARG 20 HB1 ARG 20 53.321 -0.548 -4.256 194 1HG ARG 20 HG2 ARG 20 53.532 -1.504 -2.055 195 2HG ARG 20 HG1 ARG 20 52.665 -0.150 -1.328 196 1HD ARG 20 HD2 ARG 20 51.021 -1.843 -1.497 197 2HD ARG 20 HD1 ARG 20 50.713 -0.817 -2.897 198 HE ARG 20 HE ARG 20 52.437 -2.723 -3.888 199 1HH1 ARG 20 HH11 ARG 20 51.651 -4.753 -2.010 200 2HH1 ARG 20 HH12 ARG 20 50.186 -5.405 -2.664 201 1HH2 ARG 20 HH21 ARG 20 49.610 -2.711 -4.769 202 2HH2 ARG 20 HH22 ARG 20 49.032 -4.250 -4.223 203 CH2 TRP 21 CH2 TRP 21 54.325 -3.510 -7.310 204 H TRP 21 HN TRP 21 53.993 2.034 -5.463 205 HA TRP 21 HA TRP 21 56.291 0.636 -6.555 206 1HB TRP 21 HB2 TRP 21 54.101 2.221 -7.694 207 2HB TRP 21 HB1 TRP 21 55.653 2.535 -8.485 208 HD1 TRP 21 HD1 TRP 21 55.480 1.009 -10.625 209 HE1 TRP 21 HE1 TRP 21 55.259 -1.547 -10.975 210 HE3 TRP 21 HE3 TRP 21 54.354 -0.456 -5.893 211 HZ2 TRP 21 HZ2 TRP 21 54.696 -3.907 -9.386 212 HZ3 TRP 21 HZ3 TRP 21 54.006 -2.789 -5.295 213 HH2 TRP 21 HH2 TRP 21 54.180 -4.548 -7.054 214 H SER 22 HN SER 22 56.052 3.348 -4.630 215 HA SER 22 HA SER 22 58.350 4.786 -5.702 216 1HB SER 22 HB2 SER 22 56.683 5.974 -4.290 217 2HB SER 22 HB1 SER 22 57.032 4.875 -2.961 218 HG SER 22 HG SER 22 58.938 5.815 -2.664 219 H LEU 23 HN LEU 23 57.563 2.328 -3.288 220 HA LEU 23 HA LEU 23 60.099 1.935 -2.061 221 1HB LEU 23 HB2 LEU 23 57.956 -0.086 -2.819 222 2HB LEU 23 HB1 LEU 23 59.323 -0.459 -1.798 223 HG LEU 23 HG LEU 23 57.627 1.862 -1.011 224 1HD1 LEU 23 HD13 LEU 23 56.355 -0.484 -1.684 225 2HD1 LEU 23 HD12 LEU 23 56.726 -0.769 0.016 226 3HD1 LEU 23 HD11 LEU 23 55.774 0.638 -0.455 227 1HD2 LEU 23 HD22 LEU 23 59.469 -0.143 0.199 228 2HD2 LEU 23 HD21 LEU 23 59.253 1.563 0.593 229 3HD2 LEU 23 HD23 LEU 23 58.114 0.365 1.205 230 H GLU 24 HN GLU 24 58.609 0.553 -4.949 231 HA GLU 24 HA GLU 24 60.646 -1.191 -5.804 232 1HB GLU 24 HB2 GLU 24 58.267 -0.490 -6.825 233 2HB GLU 24 HB1 GLU 24 59.304 0.447 -7.902 234 1HG GLU 24 HG2 GLU 24 60.667 -1.833 -8.011 235 2HG GLU 24 HG1 GLU 24 59.105 -2.523 -7.573 236 H THR 25 HN THR 25 60.373 2.304 -6.547 237 HA THR 25 HA THR 25 62.693 2.379 -8.229 238 HB THR 25 HB THR 25 61.643 4.671 -6.555 239 HG1 THR 25 HG1 THR 25 60.789 3.813 -9.117 240 1HG2 THR 25 HG22 THR 25 63.343 4.360 -9.005 241 2HG2 THR 25 HG21 THR 25 62.342 5.802 -8.832 242 3HG2 THR 25 HG23 THR 25 63.567 5.428 -7.619 243 H MET 26 HN MET 26 62.270 2.635 -4.746 244 HA MET 26 HA MET 26 64.982 3.571 -4.249 245 1HB MET 26 HB2 MET 26 62.610 2.843 -2.659 246 2HB MET 26 HB1 MET 26 64.142 2.476 -1.868 247 1HG MET 26 HG2 MET 26 64.852 4.724 -1.931 248 2HG MET 26 HG1 MET 26 63.674 5.155 -3.171 249 1HE MET 26 HE3 MET 26 64.241 3.506 -0.036 250 2HE MET 26 HE2 MET 26 63.615 4.633 1.165 251 3HE MET 26 HE1 MET 26 62.619 3.280 0.633 252 H PHE 27 HN PHE 27 63.482 0.402 -4.510 253 HA PHE 27 HA PHE 27 65.867 -0.934 -3.410 254 1HB PHE 27 HB2 PHE 27 63.144 -1.879 -4.309 255 2HB PHE 27 HB1 PHE 27 64.458 -3.018 -4.062 256 HD1 PHE 27 HD1 PHE 27 65.693 -2.980 -1.798 257 HD2 PHE 27 HD2 PHE 27 61.928 -1.031 -2.471 258 HE1 PHE 27 HE1 PHE 27 65.297 -2.897 0.648 259 HE2 PHE 27 HE2 PHE 27 61.530 -0.946 -0.027 260 HZ PHE 27 HZ PHE 27 63.214 -1.880 1.533 261 H LEU 28 HN LEU 28 64.653 0.001 -6.503 262 HA LEU 28 HA LEU 28 66.208 -2.057 -7.927 263 1HB LEU 28 HB2 LEU 28 64.457 0.204 -8.918 264 2HB LEU 28 HB1 LEU 28 65.260 -0.969 -9.964 265 HG LEU 28 HG LEU 28 63.397 -1.771 -7.718 266 1HD1 LEU 28 HD12 LEU 28 62.858 -1.012 -10.572 267 2HD1 LEU 28 HD11 LEU 28 61.891 -2.279 -9.817 268 3HD1 LEU 28 HD13 LEU 28 61.913 -0.657 -9.126 269 1HD2 LEU 28 HD22 LEU 28 64.511 -3.216 -10.143 270 2HD2 LEU 28 HD21 LEU 28 64.955 -3.507 -8.461 271 3HD2 LEU 28 HD23 LEU 28 63.329 -3.895 -9.024 272 H LYS 29 HN LYS 29 67.093 0.786 -6.480 273 HA LYS 29 HA LYS 29 68.913 1.598 -8.690 274 1HB LYS 29 HB2 LYS 29 69.339 3.617 -7.391 275 2HB LYS 29 HB1 LYS 29 67.600 3.380 -7.522 276 1HG LYS 29 HG2 LYS 29 67.740 2.194 -5.249 277 2HG LYS 29 HG1 LYS 29 69.373 2.848 -5.128 278 1HD LYS 29 HD2 LYS 29 68.012 5.086 -5.852 279 2HD LYS 29 HD1 LYS 29 66.760 4.238 -4.945 280 1HE LYS 29 HE2 LYS 29 67.955 4.312 -2.957 281 2HE LYS 29 HE1 LYS 29 69.514 4.404 -3.777 282 1HZ LYS 29 HZ2 LYS 29 67.529 6.589 -3.942 283 2HZ LYS 29 HZ1 LYS 29 68.666 6.505 -2.682 284 3HZ LYS 29 HZ3 LYS 29 69.192 6.644 -4.289 285 H CYS 30 HN CYS 30 68.864 0.345 -5.415 286 HA CYS 30 HA CYS 30 71.688 -0.490 -5.741 287 1HB CYS 30 HB2 CYS 30 70.521 1.001 -3.377 288 2HB CYS 30 HB1 CYS 30 72.045 0.116 -3.299 289 HG CYS 30 HG CYS 30 72.182 1.977 -5.637 290 HA PRO 31 HA PRO 31 69.467 -4.073 -4.074 291 1HB PRO 31 HB2 PRO 31 71.371 -5.934 -4.696 292 2HB PRO 31 HB1 PRO 31 70.266 -5.262 -5.908 293 1HG PRO 31 HG2 PRO 31 73.163 -4.734 -5.519 294 2HG PRO 31 HG1 PRO 31 72.176 -4.543 -6.977 295 1HD PRO 31 HD2 PRO 31 73.019 -2.478 -5.172 296 2HD PRO 31 HD1 PRO 31 71.923 -2.305 -6.560 297 H LYS 32 HN LYS 32 71.110 -2.357 -2.283 298 HA LYS 32 HA LYS 32 72.371 -4.486 -0.642 299 1HB LYS 32 HB2 LYS 32 73.886 -2.632 0.206 300 2HB LYS 32 HB1 LYS 32 74.129 -3.105 -1.474 301 1HG LYS 32 HG2 LYS 32 73.375 -1.106 -2.285 302 2HG LYS 32 HG1 LYS 32 72.130 -0.959 -1.045 303 1HD LYS 32 HD2 LYS 32 74.107 -0.544 0.587 304 2HD LYS 32 HD1 LYS 32 75.051 -0.235 -0.872 305 1HE LYS 32 HE2 LYS 32 74.058 1.847 0.082 306 2HE LYS 32 HE1 LYS 32 73.498 1.515 -1.557 307 1HZ LYS 32 HZ3 LYS 32 71.969 0.472 0.724 308 2HZ LYS 32 HZ2 LYS 32 71.808 2.109 0.303 309 3HZ LYS 32 HZ1 LYS 32 71.432 0.897 -0.827 310 HA PRO 33 HA PRO 33 69.310 -1.911 1.924 311 1HB PRO 33 HB2 PRO 33 67.115 -3.552 1.978 312 2HB PRO 33 HB1 PRO 33 67.322 -2.245 0.798 313 1HG PRO 33 HG2 PRO 33 67.593 -5.186 0.409 314 2HG PRO 33 HG1 PRO 33 67.149 -3.934 -0.761 315 1HD PRO 33 HD2 PRO 33 69.692 -5.151 -0.548 316 2HD PRO 33 HD1 PRO 33 69.304 -3.665 -1.440 317 H SER 34 HN SER 34 69.465 -2.307 4.114 318 HA SER 34 HA SER 34 70.399 -4.948 5.013 319 1HB SER 34 HB2 SER 34 69.921 -2.704 6.906 320 2HB SER 34 HB1 SER 34 71.237 -3.873 6.870 321 HG SER 34 HG SER 34 72.132 -2.024 6.142 322 H LEU 35 HN LEU 35 69.281 -6.187 6.616 323 HA LEU 35 HA LEU 35 66.420 -6.168 6.442 324 1HB LEU 35 HB2 LEU 35 68.217 -7.338 8.597 325 2HB LEU 35 HB1 LEU 35 66.501 -7.700 8.405 326 HG LEU 35 HG LEU 35 67.601 -8.077 5.848 327 1HD1 LEU 35 HD11 LEU 35 69.773 -8.135 7.445 328 2HD1 LEU 35 HD13 LEU 35 69.247 -9.809 7.625 329 3HD1 LEU 35 HD12 LEU 35 69.615 -9.168 6.024 330 1HD2 LEU 35 HD22 LEU 35 65.817 -9.376 7.198 331 2HD2 LEU 35 HD21 LEU 35 66.854 -10.315 6.123 332 3HD2 LEU 35 HD23 LEU 35 67.171 -10.294 7.858 333 H GLN 36 HN GLN 36 68.699 -4.379 8.347 334 HA GLN 36 HA GLN 36 66.803 -3.516 10.403 335 1HB GLN 36 HB2 GLN 36 69.500 -3.443 10.294 336 2HB GLN 36 HB1 GLN 36 69.156 -1.819 9.698 337 1HG GLN 36 HG2 GLN 36 67.962 -2.955 12.241 338 2HG GLN 36 HG1 GLN 36 69.420 -1.961 12.205 339 1HE2 GLN 36 HE22 GLN 36 66.175 0.089 12.583 340 2HE2 GLN 36 HE21 GLN 36 66.615 -1.379 13.314 341 H GLN 37 HN GLN 37 68.017 -2.328 7.312 342 HA GLN 37 HA GLN 37 66.541 0.165 7.392 343 1HB GLN 37 HB2 GLN 37 68.622 -0.434 5.953 344 2HB GLN 37 HB1 GLN 37 67.458 -1.168 4.850 345 1HG GLN 37 HG2 GLN 37 66.661 0.846 4.153 346 2HG GLN 37 HG1 GLN 37 66.686 1.525 5.779 347 1HE2 GLN 37 HE22 GLN 37 69.952 2.000 3.350 348 2HE2 GLN 37 HE21 GLN 37 68.737 0.895 2.922 349 H ILE 38 HN ILE 38 65.650 -3.118 6.715 350 HA ILE 38 HA ILE 38 63.390 -2.395 5.004 351 HB ILE 38 HB ILE 38 64.260 -4.991 6.306 352 1HG1 ILE 38 HG12 ILE 38 65.458 -4.245 4.282 353 2HG1 ILE 38 HG11 ILE 38 64.499 -5.684 3.943 354 1HG2 ILE 38 HG22 ILE 38 61.560 -4.276 5.558 355 2HG2 ILE 38 HG21 ILE 38 62.160 -5.485 4.427 356 3HG2 ILE 38 HG23 ILE 38 62.160 -5.821 6.157 357 1HD1 ILE 38 HD11 ILE 38 62.716 -3.623 3.414 358 2HD1 ILE 38 HD13 ILE 38 64.250 -2.975 2.835 359 3HD1 ILE 38 HD12 ILE 38 63.642 -4.503 2.200 360 H THR 39 HN THR 39 64.038 -3.100 8.382 361 HA THR 39 HA THR 39 61.290 -2.943 9.290 362 HB THR 39 HB THR 39 63.771 -2.151 10.852 363 HG1 THR 39 HG1 THR 39 62.609 -4.711 10.481 364 1HG2 THR 39 HG22 THR 39 61.046 -3.209 11.643 365 2HG2 THR 39 HG21 THR 39 62.393 -3.007 12.761 366 3HG2 THR 39 HG23 THR 39 61.687 -1.600 11.967 367 H HIS 40 HN HIS 40 63.889 -0.656 8.678 368 HA HIS 40 HA HIS 40 62.482 1.698 9.623 369 1HB HIS 40 HB2 HIS 40 65.092 1.176 8.971 370 2HB HIS 40 HB1 HIS 40 64.552 2.040 7.532 371 HD1 HIS 40 HD1 HIS 40 65.802 4.232 8.085 372 HD2 HIS 40 HD2 HIS 40 63.174 3.028 11.090 373 HE1 HIS 40 HE1 HIS 40 65.613 6.179 9.693 374 H ILE 41 HN ILE 41 62.507 -0.188 6.690 375 HA ILE 41 HA ILE 41 61.470 1.802 4.897 376 HB ILE 41 HB ILE 41 62.001 -1.062 4.853 377 1HG1 ILE 41 HG12 ILE 41 61.740 -0.328 2.246 378 2HG1 ILE 41 HG11 ILE 41 61.942 1.253 2.997 379 1HG2 ILE 41 HG22 ILE 41 59.518 -1.292 4.818 380 2HG2 ILE 41 HG21 ILE 41 59.457 -0.207 3.432 381 3HG2 ILE 41 HG23 ILE 41 60.240 -1.776 3.287 382 1HD1 ILE 41 HD13 ILE 41 63.800 -1.007 3.704 383 2HD1 ILE 41 HD12 ILE 41 64.068 -0.061 2.244 384 3HD1 ILE 41 HD11 ILE 41 64.080 0.728 3.822 385 H ALA 42 HN ALA 42 60.052 -0.575 7.082 386 HA ALA 42 HA ALA 42 57.321 -0.141 6.482 387 1HB ALA 42 HB1 ALA 42 58.291 -2.013 7.874 388 2HB ALA 42 HB3 ALA 42 58.461 -0.852 9.190 389 3HB ALA 42 HB2 ALA 42 56.862 -1.253 8.569 390 H ASN 43 HN ASN 43 59.288 1.230 9.117 391 HA ASN 43 HA ASN 43 57.312 3.136 9.952 392 1HB ASN 43 HB2 ASN 43 59.907 2.378 10.748 393 2HB ASN 43 HB1 ASN 43 60.036 4.084 10.328 394 1HD2 ASN 43 HD22 ASN 43 57.971 5.181 13.022 395 2HD2 ASN 43 HD21 ASN 43 58.624 5.614 11.516 396 H GLN 44 HN GLN 44 59.385 2.972 7.209 397 HA GLN 44 HA GLN 44 59.618 5.793 6.672 398 1HB GLN 44 HB2 GLN 44 60.580 3.333 5.585 399 2HB GLN 44 HB1 GLN 44 59.859 4.253 4.278 400 1HG GLN 44 HG2 GLN 44 62.213 4.844 4.455 401 2HG GLN 44 HG1 GLN 44 61.243 6.224 4.967 402 1HE2 GLN 44 HE22 GLN 44 62.376 6.097 8.340 403 2HE2 GLN 44 HE21 GLN 44 61.230 6.761 7.280 404 H LEU 45 HN LEU 45 57.351 3.235 5.603 405 HA LEU 45 HA LEU 45 55.858 5.379 4.196 406 1HB LEU 45 HB2 LEU 45 54.506 3.232 3.325 407 2HB LEU 45 HB1 LEU 45 55.895 3.897 2.501 408 HG LEU 45 HG LEU 45 56.276 1.724 4.565 409 1HD1 LEU 45 HD12 LEU 45 54.984 1.524 1.911 410 2HD1 LEU 45 HD11 LEU 45 56.360 0.443 2.106 411 3HD1 LEU 45 HD13 LEU 45 55.007 0.356 3.223 412 1HD2 LEU 45 HD22 LEU 45 58.179 3.060 3.543 413 2HD2 LEU 45 HD21 LEU 45 58.273 1.315 3.341 414 3HD2 LEU 45 HD23 LEU 45 57.743 2.324 2.001 415 H GLY 46 HN GLY 46 55.817 4.064 7.168 416 1HA GLY 46 HA2 GLY 46 54.195 4.564 8.825 417 2HA GLY 46 HA1 GLY 46 53.045 4.950 7.553 418 H LEU 47 HN LEU 47 54.575 1.897 7.125 419 HA LEU 47 HA LEU 47 52.219 0.576 8.423 420 1HB LEU 47 HB2 LEU 47 52.411 -1.185 6.532 421 2HB LEU 47 HB1 LEU 47 51.662 0.347 6.158 422 HG LEU 47 HG LEU 47 53.263 -0.532 4.459 423 1HD1 LEU 47 HD13 LEU 47 52.760 2.043 5.275 424 2HD1 LEU 47 HD12 LEU 47 54.510 1.989 5.198 425 3HD1 LEU 47 HD11 LEU 47 53.560 1.587 3.784 426 1HD2 LEU 47 HD21 LEU 47 54.944 -1.227 6.312 427 2HD2 LEU 47 HD23 LEU 47 55.568 -0.611 4.793 428 3HD2 LEU 47 HD22 LEU 47 55.490 0.437 6.204 429 H GLU 48 HN GLU 48 52.963 -2.081 7.924 430 HA GLU 48 HA GLU 48 55.160 -2.373 9.873 431 1HB GLU 48 HB2 GLU 48 52.893 -3.588 10.017 432 2HB GLU 48 HB1 GLU 48 53.484 -4.585 8.687 433 1HG GLU 48 HG2 GLU 48 54.983 -5.686 9.999 434 2HG GLU 48 HG1 GLU 48 55.387 -4.241 10.926 435 H LYS 49 HN LYS 49 56.826 -4.027 9.447 436 HA LYS 49 HA LYS 49 57.938 -3.770 6.781 437 1HB LYS 49 HB2 LYS 49 59.360 -3.964 8.785 438 2HB LYS 49 HB1 LYS 49 58.741 -5.590 9.067 439 1HG LYS 49 HG2 LYS 49 59.798 -5.129 6.346 440 2HG LYS 49 HG1 LYS 49 61.004 -5.035 7.630 441 1HD LYS 49 HD2 LYS 49 59.037 -7.323 7.403 442 2HD LYS 49 HD1 LYS 49 60.632 -7.357 6.650 443 1HE LYS 49 HE2 LYS 49 61.601 -6.829 8.941 444 2HE LYS 49 HE1 LYS 49 59.994 -7.124 9.601 445 1HZ LYS 49 HZ1 LYS 49 60.778 -9.236 7.861 446 2HZ LYS 49 HZ3 LYS 49 61.941 -8.999 9.071 447 3HZ LYS 49 HZ2 LYS 49 60.326 -9.299 9.496 448 H ASP 50 HN ASP 50 55.555 -5.840 8.091 449 HA ASP 50 HA ASP 50 56.194 -8.211 6.535 450 1HB ASP 50 HB2 ASP 50 54.637 -7.811 8.700 451 2HB ASP 50 HB1 ASP 50 53.403 -7.736 7.442 452 H VAL 51 HN VAL 51 54.176 -5.334 6.047 453 HA VAL 51 HA VAL 51 52.855 -6.410 3.685 454 HB VAL 51 HB VAL 51 51.944 -4.494 5.094 455 1HG1 VAL 51 HG11 VAL 51 54.238 -3.272 5.095 456 2HG1 VAL 51 HG13 VAL 51 53.785 -2.697 3.498 457 3HG1 VAL 51 HG12 VAL 51 52.796 -2.301 4.903 458 1HG2 VAL 51 HG23 VAL 51 52.271 -4.328 2.107 459 2HG2 VAL 51 HG22 VAL 51 50.860 -4.831 3.037 460 3HG2 VAL 51 HG21 VAL 51 51.316 -3.129 2.979 461 H VAL 52 HN VAL 52 55.603 -4.331 4.345 462 HA VAL 52 HA VAL 52 56.284 -3.856 1.601 463 HB VAL 52 HB VAL 52 57.081 -2.855 4.043 464 1HG1 VAL 52 HG13 VAL 52 58.659 -4.895 4.191 465 2HG1 VAL 52 HG12 VAL 52 59.611 -4.062 2.963 466 3HG1 VAL 52 HG11 VAL 52 59.323 -3.296 4.525 467 1HG2 VAL 52 HG22 VAL 52 57.300 -2.182 1.389 468 2HG2 VAL 52 HG21 VAL 52 57.910 -1.215 2.726 469 3HG2 VAL 52 HG23 VAL 52 58.990 -2.314 1.870 470 NH1 ARG 53 NH2 ARG 53 60.529 -12.741 5.554 471 NH2 ARG 53 NH1 ARG 53 61.565 -10.971 6.505 472 H ARG 53 HN ARG 53 56.856 -6.524 3.781 473 HA ARG 53 HA ARG 53 59.057 -7.687 2.299 474 1HB ARG 53 HB2 ARG 53 58.545 -8.181 4.707 475 2HB ARG 53 HB1 ARG 53 57.122 -9.075 4.171 476 1HG ARG 53 HG2 ARG 53 58.611 -10.824 4.213 477 2HG ARG 53 HG1 ARG 53 58.956 -10.235 2.586 478 1HD ARG 53 HD2 ARG 53 60.922 -9.144 3.261 479 2HD ARG 53 HD1 ARG 53 60.434 -9.110 4.955 480 HE ARG 53 HE ARG 53 61.680 -11.382 3.561 481 1HH1 ARG 53 HH21 ARG 53 60.160 -13.196 4.744 482 2HH1 ARG 53 HH22 ARG 53 60.473 -13.187 6.448 483 1HH2 ARG 53 HH11 ARG 53 61.989 -10.069 6.423 484 2HH2 ARG 53 HH12 ARG 53 61.510 -11.419 7.397 485 H VAL 54 HN VAL 54 55.524 -8.267 2.351 486 HA VAL 54 HA VAL 54 55.559 -10.461 0.498 487 HB VAL 54 HB VAL 54 53.361 -8.402 0.919 488 1HG1 VAL 54 HG11 VAL 54 53.455 -11.153 -0.331 489 2HG1 VAL 54 HG13 VAL 54 51.949 -10.447 0.254 490 3HG1 VAL 54 HG12 VAL 54 52.850 -9.656 -1.039 491 1HG2 VAL 54 HG22 VAL 54 54.189 -9.590 2.999 492 2HG2 VAL 54 HG21 VAL 54 52.496 -9.896 2.611 493 3HG2 VAL 54 HG23 VAL 54 53.721 -11.109 2.237 494 CH2 TRP 55 CH2 TRP 55 59.734 -2.409 -3.666 495 H TRP 55 HN TRP 55 55.296 -6.934 -0.012 496 HA TRP 55 HA TRP 55 55.095 -7.230 -2.892 497 1HB TRP 55 HB2 TRP 55 54.341 -5.119 -2.093 498 2HB TRP 55 HB1 TRP 55 55.763 -4.896 -1.077 499 HD1 TRP 55 HD1 TRP 55 54.696 -4.802 -4.800 500 HE1 TRP 55 HE1 TRP 55 56.466 -3.449 -6.091 501 HE3 TRP 55 HE3 TRP 55 58.171 -4.033 -1.113 502 HZ2 TRP 55 HZ2 TRP 55 58.951 -2.225 -5.650 503 HZ3 TRP 55 HZ3 TRP 55 60.252 -2.787 -1.623 504 HH2 TRP 55 HH2 TRP 55 60.638 -1.858 -3.878 505 H PHE 56 HN PHE 56 57.731 -7.171 -0.543 506 HA PHE 56 HA PHE 56 59.697 -6.945 -2.704 507 1HB PHE 56 HB2 PHE 56 59.870 -6.112 -0.121 508 2HB PHE 56 HB1 PHE 56 60.706 -7.663 -0.014 509 HD1 PHE 56 HD1 PHE 56 60.463 -5.075 -2.698 510 HD2 PHE 56 HD2 PHE 56 63.051 -7.321 -0.127 511 HE1 PHE 56 HE1 PHE 56 62.417 -4.060 -3.812 512 HE2 PHE 56 HE2 PHE 56 65.024 -6.315 -1.257 513 HZ PHE 56 HZ PHE 56 64.686 -4.693 -3.110 514 H CYS 57 HN CYS 57 57.863 -9.442 -1.591 515 HA CYS 57 HA CYS 57 59.916 -11.525 -1.682 516 1HB CYS 57 HB2 CYS 57 57.411 -11.523 -0.641 517 2HB CYS 57 HB1 CYS 57 57.049 -12.168 -2.242 518 HG CYS 57 HG CYS 57 57.891 -13.976 -0.272 519 H ASN 58 HN ASN 58 57.519 -10.011 -3.764 520 HA ASN 58 HA ASN 58 58.278 -11.622 -6.106 521 1HB ASN 58 HB2 ASN 58 56.739 -10.061 -7.320 522 2HB ASN 58 HB1 ASN 58 55.969 -10.842 -5.938 523 1HD2 ASN 58 HD22 ASN 58 56.597 -6.806 -5.895 524 2HD2 ASN 58 HD21 ASN 58 57.264 -7.763 -7.128 525 NH1 ARG 59 NH1 ARG 59 59.840 -6.626 -9.920 526 NH2 ARG 59 NH2 ARG 59 62.094 -6.590 -9.734 527 H ARG 59 HN ARG 59 58.978 -8.406 -4.751 528 HA ARG 59 HA ARG 59 60.410 -7.463 -7.093 529 1HB ARG 59 HB2 ARG 59 59.663 -6.332 -4.560 530 2HB ARG 59 HB1 ARG 59 61.409 -6.161 -4.706 531 1HG ARG 59 HG2 ARG 59 59.347 -5.248 -6.730 532 2HG ARG 59 HG1 ARG 59 60.310 -4.223 -5.672 533 1HD ARG 59 HD2 ARG 59 62.046 -4.247 -7.102 534 2HD ARG 59 HD1 ARG 59 62.032 -6.008 -7.175 535 HE ARG 59 HE ARG 59 60.401 -4.236 -8.946 536 1HH1 ARG 59 HH11 ARG 59 58.946 -6.244 -9.687 537 2HH1 ARG 59 HH12 ARG 59 59.903 -7.419 -10.526 538 1HH2 ARG 59 HH21 ARG 59 62.926 -6.180 -9.359 539 2HH2 ARG 59 HH22 ARG 59 62.157 -7.383 -10.339 540 NH1 ARG 60 NH2 ARG 60 64.916 -11.085 1.491 541 NH2 ARG 60 NH1 ARG 60 63.882 -12.828 0.492 542 H ARG 60 HN ARG 60 61.215 -9.563 -4.440 543 HA ARG 60 HA ARG 60 64.118 -9.310 -4.959 544 1HB ARG 60 HB2 ARG 60 62.431 -10.747 -2.929 545 2HB ARG 60 HB1 ARG 60 64.075 -11.306 -3.231 546 1HG ARG 60 HG2 ARG 60 64.988 -9.134 -2.683 547 2HG ARG 60 HG1 ARG 60 63.373 -8.433 -2.577 548 1HD ARG 60 HD2 ARG 60 64.383 -8.978 -0.340 549 2HD ARG 60 HD1 ARG 60 62.844 -9.785 -0.638 550 HE ARG 60 HE ARG 60 65.037 -11.461 -1.471 551 1HH1 ARG 60 HH21 ARG 60 65.347 -10.185 1.433 552 2HH1 ARG 60 HH22 ARG 60 64.846 -11.550 2.373 553 1HH2 ARG 60 HH11 ARG 60 63.522 -13.265 -0.332 554 2HH2 ARG 60 HH12 ARG 60 63.813 -13.292 1.375 555 H GLN 61 HN GLN 61 61.395 -11.431 -5.591 556 HA GLN 61 HA GLN 61 63.195 -13.153 -7.245 557 1HB GLN 61 HB2 GLN 61 62.250 -14.323 -5.234 558 2HB GLN 61 HB1 GLN 61 60.631 -14.001 -5.857 559 1HG GLN 61 HG2 GLN 61 60.830 -15.535 -7.561 560 2HG GLN 61 HG1 GLN 61 62.568 -15.278 -7.728 561 1HE2 GLN 61 HE22 GLN 61 63.317 -17.506 -4.926 562 2HE2 GLN 61 HE21 GLN 61 63.786 -15.987 -5.519 563 H LYS 62 HN LYS 62 62.520 -11.206 -8.707 564 HA LYS 62 HA LYS 62 59.812 -11.273 -9.782 565 1HB LYS 62 HB2 LYS 62 60.760 -9.693 -11.479 566 2HB LYS 62 HB1 LYS 62 61.071 -9.187 -9.817 567 1HG LYS 62 HG2 LYS 62 63.322 -9.550 -9.983 568 2HG LYS 62 HG1 LYS 62 63.124 -10.954 -11.029 569 1HD LYS 62 HD2 LYS 62 63.059 -9.685 -12.958 570 2HD LYS 62 HD1 LYS 62 62.388 -8.276 -12.134 571 1HE LYS 62 HE2 LYS 62 64.470 -7.601 -11.311 572 2HE LYS 62 HE1 LYS 62 65.164 -9.214 -11.465 573 1HZ LYS 62 HZ3 LYS 62 64.929 -8.940 -13.915 574 2HZ LYS 62 HZ2 LYS 62 64.514 -7.315 -13.647 575 3HZ LYS 62 HZ1 LYS 62 66.049 -7.888 -13.197 576 H GLY 63 HN GLY 63 62.795 -12.954 -10.440 577 1HA GLY 63 HA2 GLY 63 62.038 -15.066 -11.852 578 2HA GLY 63 HA1 GLY 63 61.823 -13.836 -13.098 579 H LYS 64 HN LYS 64 64.218 -15.395 -11.014 580 HA LYS 64 HA LYS 64 66.468 -14.078 -12.347 581 1HB LYS 64 HB2 LYS 64 66.329 -15.017 -9.898 582 2HB LYS 64 HB1 LYS 64 66.743 -16.551 -10.664 583 1HG LYS 64 HG2 LYS 64 68.825 -15.770 -11.405 584 2HG LYS 64 HG1 LYS 64 68.342 -14.078 -11.280 585 1HD LYS 64 HD2 LYS 64 69.603 -14.214 -9.359 586 2HD LYS 64 HD1 LYS 64 68.061 -14.765 -8.701 587 1HE LYS 64 HE2 LYS 64 68.896 -17.133 -9.479 588 2HE LYS 64 HE1 LYS 64 70.488 -16.375 -9.440 589 1HZ LYS 64 HZ1 LYS 64 68.558 -16.403 -7.185 590 2HZ LYS 64 HZ3 LYS 64 69.901 -17.429 -7.328 591 3HZ LYS 64 HZ2 LYS 64 70.127 -15.753 -7.157 592 NH1 ARG 65 NH1 ARG 65 67.316 -23.865 -13.189 593 NH2 ARG 65 NH2 ARG 65 67.672 -24.261 -15.385 594 H ARG 65 HN ARG 65 64.800 -17.181 -12.519 595 HA ARG 65 HA ARG 65 66.190 -17.695 -15.087 596 1HB ARG 65 HB2 ARG 65 67.101 -18.948 -12.839 597 2HB ARG 65 HB1 ARG 65 65.876 -20.095 -13.376 598 1HG ARG 65 HG2 ARG 65 67.435 -19.159 -15.641 599 2HG ARG 65 HG1 ARG 65 68.498 -19.803 -14.392 600 1HD ARG 65 HD2 ARG 65 66.095 -21.441 -14.868 601 2HD ARG 65 HD1 ARG 65 67.176 -21.332 -16.256 602 HE ARG 65 HE ARG 65 68.919 -21.902 -14.231 603 1HH1 ARG 65 HH11 ARG 65 67.319 -23.237 -12.411 604 2HH1 ARG 65 HH12 ARG 65 67.035 -24.816 -13.063 605 1HH2 ARG 65 HH21 ARG 65 67.948 -23.936 -16.289 606 2HH2 ARG 65 HH22 ARG 65 67.393 -25.213 -15.259 607 H SER 66 HN SER 66 64.417 -17.696 -16.408 608 HA SER 66 HA SER 66 62.289 -19.687 -15.848 609 1HB SER 66 HB2 SER 66 61.942 -16.739 -15.919 610 2HB SER 66 HB1 SER 66 60.754 -17.675 -16.821 611 HG SER 66 HG SER 66 60.574 -17.230 -14.362 612 H SER 67 HN SER 67 61.927 -20.835 -17.677 613 HA SER 67 HA SER 67 63.153 -19.976 -20.198 614 1HB SER 67 HB2 SER 67 63.250 -22.337 -19.572 615 2HB SER 67 HB1 SER 67 61.492 -22.412 -19.485 616 HG SER 67 HG SER 67 61.376 -22.160 -21.661 Start of MODEL 18 Raw file had 616 H/Q atoms Start of MODEL 18 1 1H MET 1 HT2 MET 1 31.441 -4.475 13.122 2 2H MET 1 HT1 MET 1 29.839 -4.516 13.685 3 3H MET 1 HT3 MET 1 30.887 -5.807 14.019 4 HA MET 1 HA MET 1 30.803 -6.641 11.894 5 1HB MET 1 HB2 MET 1 28.139 -5.299 12.443 6 2HB MET 1 HB1 MET 1 28.385 -6.540 11.213 7 1HG MET 1 HG2 MET 1 29.093 -8.142 12.907 8 2HG MET 1 HG1 MET 1 28.999 -6.904 14.160 9 1HE MET 1 HE2 MET 1 28.075 -9.569 14.086 10 2HE MET 1 HE1 MET 1 26.586 -9.434 15.018 11 3HE MET 1 HE3 MET 1 26.538 -10.000 13.342 12 H GLU 2 HN GLU 2 29.699 -3.265 11.947 13 HA GLU 2 HA GLU 2 30.830 -2.950 9.205 14 1HB GLU 2 HB2 GLU 2 28.139 -1.963 10.191 15 2HB GLU 2 HB1 GLU 2 28.901 -1.402 8.702 16 1HG GLU 2 HG2 GLU 2 28.636 -4.352 9.135 17 2HG GLU 2 HG1 GLU 2 27.200 -3.440 8.668 18 H THR 3 HN THR 3 31.993 -2.297 11.768 19 HA THR 3 HA THR 3 31.725 0.647 11.979 20 HB THR 3 HB THR 3 31.783 -0.574 14.084 21 HG1 THR 3 HG1 THR 3 33.165 0.765 14.967 22 1HG2 THR 3 HG22 THR 3 34.274 -1.778 12.885 23 2HG2 THR 3 HG21 THR 3 34.006 -1.775 14.628 24 3HG2 THR 3 HG23 THR 3 32.872 -2.605 13.563 25 H LEU 4 HN LEU 4 32.736 0.159 9.556 26 HA LEU 4 HA LEU 4 35.697 0.488 9.829 27 1HB LEU 4 HB2 LEU 4 33.973 -0.890 7.843 28 2HB LEU 4 HB1 LEU 4 35.335 0.012 7.177 29 HG LEU 4 HG LEU 4 35.806 -1.767 9.543 30 1HD1 LEU 4 HD12 LEU 4 35.230 -2.631 6.722 31 2HD1 LEU 4 HD11 LEU 4 36.414 -3.520 7.679 32 3HD1 LEU 4 HD13 LEU 4 34.747 -3.391 8.239 33 1HD2 LEU 4 HD22 LEU 4 37.345 -0.604 7.242 34 2HD2 LEU 4 HD21 LEU 4 37.741 -0.603 8.961 35 3HD2 LEU 4 HD23 LEU 4 37.939 -2.076 8.011 36 H VAL 5 HN VAL 5 36.340 1.702 7.495 37 HA VAL 5 HA VAL 5 34.678 4.189 7.446 38 HB VAL 5 HB VAL 5 37.696 4.050 7.177 39 1HG1 VAL 5 HG12 VAL 5 36.340 5.935 6.067 40 2HG1 VAL 5 HG11 VAL 5 35.951 6.460 7.705 41 3HG1 VAL 5 HG13 VAL 5 37.630 6.426 7.166 42 1HG2 VAL 5 HG21 VAL 5 35.881 4.564 9.527 43 2HG2 VAL 5 HG23 VAL 5 37.326 3.557 9.448 44 3HG2 VAL 5 HG22 VAL 5 37.475 5.315 9.452 45 H GLN 6 HN GLN 6 33.679 3.007 5.579 46 HA GLN 6 HA GLN 6 35.397 3.018 3.140 47 1HB GLN 6 HB2 GLN 6 33.505 1.694 2.132 48 2HB GLN 6 HB1 GLN 6 34.277 0.898 3.504 49 1HG GLN 6 HG2 GLN 6 32.483 1.355 4.945 50 2HG GLN 6 HG1 GLN 6 31.885 2.673 3.936 51 1HE2 GLN 6 HE22 GLN 6 31.181 -1.146 2.552 52 2HE2 GLN 6 HE21 GLN 6 32.653 -0.812 3.329 53 H ALA 7 HN ALA 7 34.779 5.537 3.922 54 HA ALA 7 HA ALA 7 32.293 6.601 3.035 55 1HB ALA 7 HB3 ALA 7 35.030 7.752 3.484 56 2HB ALA 7 HB2 ALA 7 33.778 8.743 2.735 57 3HB ALA 7 HB1 ALA 7 33.529 8.082 4.351 58 NH1 ARG 8 NH2 ARG 8 35.008 10.283 -5.334 59 NH2 ARG 8 NH1 ARG 8 36.368 8.479 -5.360 60 H ARG 8 HN ARG 8 35.248 5.804 1.295 61 HA ARG 8 HA ARG 8 33.814 6.114 -1.242 62 1HB ARG 8 HB2 ARG 8 36.138 7.824 -0.413 63 2HB ARG 8 HB1 ARG 8 35.943 7.387 -2.110 64 1HG ARG 8 HG2 ARG 8 33.396 8.148 -1.495 65 2HG ARG 8 HG1 ARG 8 34.321 9.209 -0.431 66 1HD ARG 8 HD2 ARG 8 33.945 10.260 -2.639 67 2HD ARG 8 HD1 ARG 8 35.661 9.982 -2.345 68 HE ARG 8 HE ARG 8 34.387 7.784 -3.775 69 1HH1 ARG 8 HH21 ARG 8 34.257 10.796 -4.917 70 2HH1 ARG 8 HH22 ARG 8 35.467 10.641 -6.146 71 1HH2 ARG 8 HH11 ARG 8 36.661 7.608 -4.963 72 2HH2 ARG 8 HH12 ARG 8 36.828 8.837 -6.172 73 H LYS 9 HN LYS 9 35.720 5.621 -3.053 74 HA LYS 9 HA LYS 9 36.581 2.924 -2.381 75 1HB LYS 9 HB2 LYS 9 35.709 3.617 -4.653 76 2HB LYS 9 HB1 LYS 9 37.223 4.492 -4.888 77 1HG LYS 9 HG2 LYS 9 38.515 2.503 -4.809 78 2HG LYS 9 HG1 LYS 9 37.186 1.573 -4.118 79 1HD LYS 9 HD2 LYS 9 36.036 1.451 -6.153 80 2HD LYS 9 HD1 LYS 9 36.870 2.855 -6.820 81 1HE LYS 9 HE2 LYS 9 39.016 1.378 -6.579 82 2HE LYS 9 HE1 LYS 9 37.874 0.036 -6.511 83 1HZ LYS 9 HZ2 LYS 9 37.601 2.049 -8.634 84 2HZ LYS 9 HZ1 LYS 9 38.797 0.851 -8.781 85 3HZ LYS 9 HZ3 LYS 9 37.166 0.406 -8.642 86 NH1 ARG 10 NH1 ARG 10 42.767 9.560 -1.904 87 NH2 ARG 10 NH2 ARG 10 44.886 8.998 -1.354 88 H ARG 10 HN ARG 10 38.197 3.191 -0.780 89 HA ARG 10 HA ARG 10 40.841 3.813 -1.812 90 1HB ARG 10 HB2 ARG 10 39.881 6.057 -1.123 91 2HB ARG 10 HB1 ARG 10 39.832 5.441 0.529 92 1HG ARG 10 HG2 ARG 10 42.134 5.415 0.740 93 2HG ARG 10 HG1 ARG 10 42.394 5.174 -0.988 94 1HD ARG 10 HD2 ARG 10 41.166 7.642 -0.933 95 2HD ARG 10 HD1 ARG 10 42.142 7.678 0.536 96 HE ARG 10 HE ARG 10 43.754 6.689 -1.597 97 1HH1 ARG 10 HH11 ARG 10 41.806 9.309 -2.017 98 2HH1 ARG 10 HH12 ARG 10 43.066 10.495 -2.098 99 1HH2 ARG 10 HH21 ARG 10 45.549 8.315 -1.046 100 2HH2 ARG 10 HH22 ARG 10 45.185 9.932 -1.548 101 H LYS 11 HN LYS 11 41.294 1.649 -1.194 102 HA LYS 11 HA LYS 11 40.964 0.930 1.640 103 1HB LYS 11 HB2 LYS 11 41.591 -0.588 -0.868 104 2HB LYS 11 HB1 LYS 11 42.016 -1.287 0.695 105 1HG LYS 11 HG2 LYS 11 39.251 -0.259 -0.001 106 2HG LYS 11 HG1 LYS 11 39.729 -1.951 -0.124 107 1HD LYS 11 HD2 LYS 11 40.437 -0.791 2.472 108 2HD LYS 11 HD1 LYS 11 38.706 -0.701 2.151 109 1HE LYS 11 HE2 LYS 11 39.956 -3.283 1.441 110 2HE LYS 11 HE1 LYS 11 39.960 -2.907 3.164 111 1HZ LYS 11 HZ2 LYS 11 37.534 -2.322 2.841 112 2HZ LYS 11 HZ1 LYS 11 37.642 -3.113 1.341 113 3HZ LYS 11 HZ3 LYS 11 37.935 -3.972 2.775 114 NH1 ARG 12 NH2 ARG 12 44.488 6.300 6.758 115 NH2 ARG 12 NH1 ARG 12 42.253 6.201 6.431 116 H ARG 12 HN ARG 12 42.606 1.237 3.039 117 HA ARG 12 HA ARG 12 45.408 0.846 2.193 118 1HB ARG 12 HB2 ARG 12 46.050 3.091 3.175 119 2HB ARG 12 HB1 ARG 12 45.187 3.175 1.642 120 1HG ARG 12 HG2 ARG 12 43.499 4.346 2.572 121 2HG ARG 12 HG1 ARG 12 43.306 3.154 3.856 122 1HD ARG 12 HD2 ARG 12 44.951 4.214 5.223 123 2HD ARG 12 HD1 ARG 12 45.518 5.215 3.887 124 HE ARG 12 HE ARG 12 43.167 6.281 4.011 125 1HH1 ARG 12 HH21 ARG 12 45.419 6.225 6.402 126 2HH1 ARG 12 HH22 ARG 12 44.337 6.527 7.720 127 1HH2 ARG 12 HH11 ARG 12 41.472 6.049 5.825 128 2HH2 ARG 12 HH12 ARG 12 42.103 6.427 7.394 129 H THR 13 HN THR 13 45.458 -0.829 3.748 130 HA THR 13 HA THR 13 44.638 -0.334 6.510 131 HB THR 13 HB THR 13 46.401 -2.596 5.554 132 HG1 THR 13 HG1 THR 13 43.575 -2.388 5.443 133 1HG2 THR 13 HG23 THR 13 44.477 -2.140 7.831 134 2HG2 THR 13 HG22 THR 13 44.959 -3.765 7.344 135 3HG2 THR 13 HG21 THR 13 46.173 -2.617 7.908 136 H SER 14 HN SER 14 47.778 -1.210 5.069 137 HA SER 14 HA SER 14 49.086 0.935 6.564 138 1HB SER 14 HB2 SER 14 49.829 -1.950 7.094 139 2HB SER 14 HB1 SER 14 50.651 -0.538 7.753 140 HG SER 14 HG SER 14 49.233 -0.745 9.295 141 H ILE 15 HN ILE 15 48.757 -0.246 3.746 142 HA ILE 15 HA ILE 15 51.467 0.401 2.880 143 HB ILE 15 HB ILE 15 50.356 -2.396 2.508 144 1HG1 ILE 15 HG12 ILE 15 51.737 -2.038 4.519 145 2HG1 ILE 15 HG11 ILE 15 52.585 -3.054 3.364 146 1HG2 ILE 15 HG21 ILE 15 52.234 -0.840 0.790 147 2HG2 ILE 15 HG23 ILE 15 52.699 -2.502 1.155 148 3HG2 ILE 15 HG22 ILE 15 51.161 -2.170 0.360 149 1HD1 ILE 15 HD12 ILE 15 53.387 -0.536 2.579 150 2HD1 ILE 15 HD11 ILE 15 53.286 -0.356 4.325 151 3HD1 ILE 15 HD13 ILE 15 54.312 -1.602 3.631 152 H GLU 16 HN GLU 16 49.849 2.096 2.147 153 HA GLU 16 HA GLU 16 48.021 1.495 0.023 154 1HB GLU 16 HB2 GLU 16 47.957 3.597 1.413 155 2HB GLU 16 HB1 GLU 16 49.436 4.116 0.608 156 1HG GLU 16 HG2 GLU 16 47.720 5.174 -0.621 157 2HG GLU 16 HG1 GLU 16 48.128 3.768 -1.598 158 H ASN 17 HN ASN 17 48.429 1.918 -2.273 159 HA ASN 17 HA ASN 17 50.929 0.928 -3.206 160 1HB ASN 17 HB2 ASN 17 48.476 1.472 -4.370 161 2HB ASN 17 HB1 ASN 17 49.523 2.680 -5.114 162 1HD2 ASN 17 HD22 ASN 17 51.727 0.057 -6.479 163 2HD2 ASN 17 HD21 ASN 17 51.889 1.491 -5.585 164 NH1 ARG 18 NH1 ARG 18 51.129 11.207 -3.381 165 NH2 ARG 18 NH2 ARG 18 52.527 11.803 -1.710 166 H ARG 18 HN ARG 18 49.975 4.112 -2.228 167 HA ARG 18 HA ARG 18 52.152 5.456 -3.643 168 1HB ARG 18 HB2 ARG 18 49.784 6.343 -2.597 169 2HB ARG 18 HB1 ARG 18 50.906 6.804 -1.316 170 1HG ARG 18 HG2 ARG 18 51.736 7.386 -4.120 171 2HG ARG 18 HG1 ARG 18 50.447 8.381 -3.442 172 1HD ARG 18 HD2 ARG 18 52.774 7.929 -1.661 173 2HD ARG 18 HD1 ARG 18 53.091 8.912 -3.089 174 HE ARG 18 HE ARG 18 51.132 9.586 -0.950 175 1HH1 ARG 18 HH11 ARG 18 50.549 10.523 -3.823 176 2HH1 ARG 18 HH12 ARG 18 51.216 12.120 -3.778 177 1HH2 ARG 18 HH21 ARG 18 53.020 11.575 -0.870 178 2HH2 ARG 18 HH22 ARG 18 52.614 12.715 -2.109 179 H VAL 19 HN VAL 19 51.563 4.043 -0.470 180 HA VAL 19 HA VAL 19 53.800 5.211 0.857 181 HB VAL 19 HB VAL 19 51.768 3.648 1.754 182 1HG1 VAL 19 HG12 VAL 19 54.142 1.767 1.513 183 2HG1 VAL 19 HG11 VAL 19 52.890 1.570 2.719 184 3HG1 VAL 19 HG13 VAL 19 52.475 1.486 1.010 185 1HG2 VAL 19 HG21 VAL 19 53.260 5.133 3.059 186 2HG2 VAL 19 HG23 VAL 19 53.012 3.594 3.884 187 3HG2 VAL 19 HG22 VAL 19 54.518 3.898 3.018 188 NH1 ARG 20 NH2 ARG 20 56.405 -4.630 -2.220 189 NH2 ARG 20 NH1 ARG 20 56.627 -3.428 -4.121 190 H ARG 20 HN ARG 20 53.487 2.157 -0.934 191 HA ARG 20 HA ARG 20 56.169 1.272 -0.540 192 1HB ARG 20 HB2 ARG 20 54.119 0.779 -2.686 193 2HB ARG 20 HB1 ARG 20 55.747 0.121 -2.846 194 1HG ARG 20 HG2 ARG 20 54.616 -0.337 -0.179 195 2HG ARG 20 HG1 ARG 20 53.641 -1.060 -1.457 196 1HD ARG 20 HD2 ARG 20 56.621 -1.415 -1.514 197 2HD ARG 20 HD1 ARG 20 55.652 -2.411 -0.427 198 HE ARG 20 HE ARG 20 54.365 -2.613 -2.886 199 1HH1 ARG 20 HH21 ARG 20 55.995 -4.753 -1.315 200 2HH1 ARG 20 HH22 ARG 20 57.051 -5.307 -2.571 201 1HH2 ARG 20 HH11 ARG 20 56.389 -2.630 -4.674 202 2HH2 ARG 20 HH12 ARG 20 57.274 -4.105 -4.474 203 CH2 TRP 21 CH2 TRP 21 57.932 -0.262 -6.947 204 H TRP 21 HN TRP 21 54.852 3.185 -3.269 205 HA TRP 21 HA TRP 21 57.540 3.504 -4.292 206 1HB TRP 21 HB2 TRP 21 54.867 4.303 -5.179 207 2HB TRP 21 HB1 TRP 21 56.071 5.570 -5.462 208 HD1 TRP 21 HD1 TRP 21 56.582 5.189 -8.016 209 HE1 TRP 21 HE1 TRP 21 57.644 3.240 -9.339 210 HE3 TRP 21 HE3 TRP 21 56.485 1.523 -4.462 211 HZ2 TRP 21 HZ2 TRP 21 58.380 0.482 -8.906 212 HZ3 TRP 21 HZ3 TRP 21 57.374 -0.719 -4.915 213 HH2 TRP 21 HH2 TRP 21 58.335 -1.243 -7.142 214 H SER 22 HN SER 22 55.894 4.888 -1.684 215 HA SER 22 HA SER 22 57.280 7.430 -1.605 216 1HB SER 22 HB2 SER 22 55.211 6.288 -0.120 217 2HB SER 22 HB1 SER 22 56.569 6.257 0.998 218 HG SER 22 HG SER 22 55.123 8.365 0.027 219 H LEU 23 HN LEU 23 57.770 4.104 -0.488 220 HA LEU 23 HA LEU 23 60.136 4.406 1.066 221 1HB LEU 23 HB2 LEU 23 59.435 2.171 -0.888 222 2HB LEU 23 HB1 LEU 23 60.708 2.092 0.303 223 HG LEU 23 HG LEU 23 57.952 2.720 1.260 224 1HD1 LEU 23 HD11 LEU 23 58.136 0.660 -0.432 225 2HD1 LEU 23 HD13 LEU 23 58.803 -0.142 0.989 226 3HD1 LEU 23 HD12 LEU 23 57.177 0.539 1.043 227 1HD2 LEU 23 HD22 LEU 23 60.256 2.512 2.572 228 2HD2 LEU 23 HD21 LEU 23 58.774 1.860 3.273 229 3HD2 LEU 23 HD23 LEU 23 59.914 0.785 2.462 230 H GLU 24 HN GLU 24 59.572 3.957 -2.389 231 HA GLU 24 HA GLU 24 62.230 4.007 -3.368 232 1HB GLU 24 HB2 GLU 24 59.819 3.870 -4.558 233 2HB GLU 24 HB1 GLU 24 60.193 5.562 -4.891 234 1HG GLU 24 HG2 GLU 24 62.564 4.507 -5.548 235 2HG GLU 24 HG1 GLU 24 61.559 3.092 -5.860 236 H THR 25 HN THR 25 60.117 6.753 -2.552 237 HA THR 25 HA THR 25 61.873 8.810 -3.480 238 HB THR 25 HB THR 25 60.079 9.199 -1.101 239 HG1 THR 25 HG1 THR 25 59.250 8.914 -3.798 240 1HG2 THR 25 HG22 THR 25 61.540 10.963 -2.448 241 2HG2 THR 25 HG21 THR 25 60.161 10.915 -3.547 242 3HG2 THR 25 HG23 THR 25 59.929 11.377 -1.861 243 H MET 26 HN MET 26 61.657 7.090 -0.403 244 HA MET 26 HA MET 26 63.537 8.798 0.994 245 1HB MET 26 HB2 MET 26 62.375 6.067 1.512 246 2HB MET 26 HB1 MET 26 63.645 6.720 2.547 247 1HG MET 26 HG2 MET 26 62.255 8.731 2.960 248 2HG MET 26 HG1 MET 26 60.975 8.035 1.966 249 1HE MET 26 HE3 MET 26 59.852 6.248 2.175 250 2HE MET 26 HE2 MET 26 60.347 4.845 3.119 251 3HE MET 26 HE1 MET 26 59.046 5.877 3.705 252 H PHE 27 HN PHE 27 63.859 5.886 -0.971 253 HA PHE 27 HA PHE 27 66.709 5.609 -0.271 254 1HB PHE 27 HB2 PHE 27 64.829 4.000 -2.017 255 2HB PHE 27 HB1 PHE 27 66.552 3.666 -1.911 256 HD1 PHE 27 HD1 PHE 27 67.573 3.305 0.435 257 HD2 PHE 27 HD2 PHE 27 63.358 3.201 -0.355 258 HE1 PHE 27 HE1 PHE 27 67.197 2.095 2.569 259 HE2 PHE 27 HE2 PHE 27 62.981 1.994 1.768 260 HZ PHE 27 HZ PHE 27 64.897 1.444 3.230 261 H LEU 28 HN LEU 28 64.885 7.311 -2.604 262 HA LEU 28 HA LEU 28 67.013 7.192 -4.639 263 1HB LEU 28 HB2 LEU 28 64.289 8.488 -4.545 264 2HB LEU 28 HB1 LEU 28 65.429 8.782 -5.862 265 HG LEU 28 HG LEU 28 64.593 6.009 -4.980 266 1HD1 LEU 28 HD13 LEU 28 63.469 7.821 -7.124 267 2HD1 LEU 28 HD12 LEU 28 63.248 6.071 -7.143 268 3HD1 LEU 28 HD11 LEU 28 62.598 7.028 -5.811 269 1HD2 LEU 28 HD21 LEU 28 66.165 7.157 -7.290 270 2HD2 LEU 28 HD23 LEU 28 66.653 5.903 -6.150 271 3HD2 LEU 28 HD22 LEU 28 65.436 5.554 -7.378 272 H LYS 29 HN LYS 29 66.671 8.877 -1.808 273 HA LYS 29 HA LYS 29 67.769 11.405 -2.926 274 1HB LYS 29 HB2 LYS 29 67.383 12.369 -0.713 275 2HB LYS 29 HB1 LYS 29 65.911 11.569 -1.254 276 1HG LYS 29 HG2 LYS 29 66.853 9.501 0.056 277 2HG LYS 29 HG1 LYS 29 67.868 10.694 0.867 278 1HD LYS 29 HD2 LYS 29 64.877 11.064 0.624 279 2HD LYS 29 HD1 LYS 29 65.589 10.151 1.953 280 1HE LYS 29 HE2 LYS 29 65.914 12.107 3.023 281 2HE LYS 29 HE1 LYS 29 67.104 12.523 1.792 282 1HZ LYS 29 HZ1 LYS 29 64.248 12.921 1.226 283 2HZ LYS 29 HZ3 LYS 29 65.062 14.048 2.197 284 3HZ LYS 29 HZ2 LYS 29 65.595 13.752 0.611 285 H CYS 30 HN CYS 30 68.503 8.775 -0.695 286 HA CYS 30 HA CYS 30 71.383 9.369 -1.018 287 1HB CYS 30 HB2 CYS 30 69.905 9.079 1.606 288 2HB CYS 30 HB1 CYS 30 71.650 8.862 1.473 289 HG CYS 30 HG CYS 30 70.597 11.526 0.334 290 HA PRO 31 HA PRO 31 70.942 4.875 -1.375 291 1HB PRO 31 HB2 PRO 31 73.385 4.415 -2.516 292 2HB PRO 31 HB1 PRO 31 72.004 5.038 -3.436 293 1HG PRO 31 HG2 PRO 31 74.454 6.461 -2.545 294 2HG PRO 31 HG1 PRO 31 73.350 6.856 -3.872 295 1HD PRO 31 HD2 PRO 31 73.434 8.069 -1.275 296 2HD PRO 31 HD1 PRO 31 72.242 8.367 -2.557 297 H LYS 32 HN LYS 32 72.181 6.362 1.053 298 HA LYS 32 HA LYS 32 74.116 4.254 1.828 299 1HB LYS 32 HB2 LYS 32 75.079 6.028 3.347 300 2HB LYS 32 HB1 LYS 32 75.250 6.365 1.624 301 1HG LYS 32 HG2 LYS 32 73.470 7.953 1.648 302 2HG LYS 32 HG1 LYS 32 72.906 7.410 3.229 303 1HD LYS 32 HD2 LYS 32 75.142 8.164 4.167 304 2HD LYS 32 HD1 LYS 32 75.456 8.917 2.603 305 1HE LYS 32 HE2 LYS 32 74.520 10.660 3.898 306 2HE LYS 32 HE1 LYS 32 73.171 10.082 2.922 307 1HZ LYS 32 HZ3 LYS 32 72.510 8.665 4.791 308 2HZ LYS 32 HZ2 LYS 32 73.767 9.320 5.728 309 3HZ LYS 32 HZ1 LYS 32 72.490 10.311 5.203 310 HA PRO 33 HA PRO 33 70.619 4.594 5.031 311 1HB PRO 33 HB2 PRO 33 69.146 2.355 4.429 312 2HB PRO 33 HB1 PRO 33 68.768 3.967 3.796 313 1HG PRO 33 HG2 PRO 33 70.028 1.648 2.403 314 2HG PRO 33 HG1 PRO 33 69.037 2.957 1.739 315 1HD PRO 33 HD2 PRO 33 71.846 2.801 1.553 316 2HD PRO 33 HD1 PRO 33 70.862 4.260 1.294 317 H SER 34 HN SER 34 70.671 3.248 6.936 318 HA SER 34 HA SER 34 72.891 1.321 7.011 319 1HB SER 34 HB2 SER 34 71.189 2.683 9.073 320 2HB SER 34 HB1 SER 34 72.148 1.272 9.506 321 HG SER 34 HG SER 34 73.662 2.724 9.729 322 H LEU 35 HN LEU 35 72.632 -0.886 7.581 323 HA LEU 35 HA LEU 35 70.267 -2.212 6.676 324 1HB LEU 35 HB2 LEU 35 72.507 -3.060 8.531 325 2HB LEU 35 HB1 LEU 35 71.185 -4.147 8.108 326 HG LEU 35 HG LEU 35 72.126 -2.935 5.695 327 1HD1 LEU 35 HD13 LEU 35 74.203 -2.802 7.401 328 2HD1 LEU 35 HD12 LEU 35 74.396 -4.471 6.864 329 3HD1 LEU 35 HD11 LEU 35 74.414 -3.158 5.686 330 1HD2 LEU 35 HD23 LEU 35 71.042 -5.162 5.941 331 2HD2 LEU 35 HD22 LEU 35 72.571 -5.274 5.070 332 3HD2 LEU 35 HD21 LEU 35 72.484 -5.757 6.764 333 H GLN 36 HN GLN 36 71.156 -0.721 9.676 334 HA GLN 36 HA GLN 36 69.078 -1.938 11.318 335 1HB GLN 36 HB2 GLN 36 71.295 -0.341 11.818 336 2HB GLN 36 HB1 GLN 36 69.953 0.770 12.086 337 1HG GLN 36 HG2 GLN 36 69.674 -1.953 13.254 338 2HG GLN 36 HG1 GLN 36 70.864 -0.890 14.006 339 1HE2 GLN 36 HE22 GLN 36 68.324 1.559 14.945 340 2HE2 GLN 36 HE21 GLN 36 69.894 1.507 14.303 341 H GLN 37 HN GLN 37 69.432 1.027 9.423 342 HA GLN 37 HA GLN 37 66.885 2.164 10.067 343 1HB GLN 37 HB2 GLN 37 68.760 3.403 8.952 344 2HB GLN 37 HB1 GLN 37 68.446 2.475 7.484 345 1HG GLN 37 HG2 GLN 37 66.032 3.306 7.644 346 2HG GLN 37 HG1 GLN 37 66.610 4.443 8.863 347 1HE2 GLN 37 HE22 GLN 37 68.409 6.453 6.511 348 2HE2 GLN 37 HE21 GLN 37 68.288 6.038 8.153 349 H ILE 38 HN ILE 38 67.881 -0.358 7.817 350 HA ILE 38 HA ILE 38 65.413 -0.349 6.302 351 HB ILE 38 HB ILE 38 67.711 -2.304 6.563 352 1HG1 ILE 38 HG12 ILE 38 68.008 -0.348 5.108 353 2HG1 ILE 38 HG11 ILE 38 67.919 -1.814 4.135 354 1HG2 ILE 38 HG21 ILE 38 64.987 -2.808 5.400 355 2HG2 ILE 38 HG23 ILE 38 66.395 -3.471 4.568 356 3HG2 ILE 38 HG22 ILE 38 66.064 -3.922 6.241 357 1HD1 ILE 38 HD13 ILE 38 65.368 -1.282 3.974 358 2HD1 ILE 38 HD12 ILE 38 65.837 0.332 4.498 359 3HD1 ILE 38 HD11 ILE 38 66.481 -0.324 2.996 360 H THR 39 HN THR 39 66.577 -1.867 9.234 361 HA THR 39 HA THR 39 64.329 -3.651 9.603 362 HB THR 39 HB THR 39 65.577 -2.415 12.009 363 HG1 THR 39 HG1 THR 39 67.014 -4.002 10.149 364 1HG2 THR 39 HG23 THR 39 65.143 -5.265 11.069 365 2HG2 THR 39 HG22 THR 39 65.720 -4.797 12.669 366 3HG2 THR 39 HG21 THR 39 64.089 -4.363 12.157 367 H HIS 40 HN HIS 40 64.994 -0.265 10.272 368 HA HIS 40 HA HIS 40 62.559 0.275 11.747 369 1HB HIS 40 HB2 HIS 40 64.882 1.668 11.314 370 2HB HIS 40 HB1 HIS 40 63.782 2.490 10.210 371 HD1 HIS 40 HD1 HIS 40 63.361 1.114 13.755 372 HD2 HIS 40 HD2 HIS 40 62.666 4.604 11.582 373 HE1 HIS 40 HE1 HIS 40 62.283 2.752 15.357 374 H ILE 41 HN ILE 41 63.429 0.038 8.351 375 HA ILE 41 HA ILE 41 61.149 1.457 7.304 376 HB ILE 41 HB ILE 41 63.216 -0.385 6.187 377 1HG1 ILE 41 HG12 ILE 41 62.851 1.317 4.242 378 2HG1 ILE 41 HG11 ILE 41 61.874 2.203 5.410 379 1HG2 ILE 41 HG21 ILE 41 60.418 -0.223 5.026 380 2HG2 ILE 41 HG23 ILE 41 61.815 -0.565 4.012 381 3HG2 ILE 41 HG22 ILE 41 61.383 -1.665 5.321 382 1HD1 ILE 41 HD12 ILE 41 63.811 2.240 6.969 383 2HD1 ILE 41 HD11 ILE 41 64.779 1.408 5.757 384 3HD1 ILE 41 HD13 ILE 41 64.183 3.033 5.438 385 H ALA 42 HN ALA 42 61.824 -1.948 8.010 386 HA ALA 42 HA ALA 42 59.426 -3.140 7.256 387 1HB ALA 42 HB3 ALA 42 61.313 -3.764 9.536 388 2HB ALA 42 HB2 ALA 42 59.936 -4.794 9.143 389 3HB ALA 42 HB1 ALA 42 61.222 -4.552 7.961 390 H ASN 43 HN ASN 43 60.217 -1.989 10.548 391 HA ASN 43 HA ASN 43 57.537 -2.280 11.534 392 1HB ASN 43 HB2 ASN 43 59.688 -0.355 12.478 393 2HB ASN 43 HB1 ASN 43 58.269 -0.858 13.396 394 1HD2 ASN 43 HD22 ASN 43 59.860 -3.740 14.619 395 2HD2 ASN 43 HD21 ASN 43 58.608 -2.605 14.776 396 H GLN 44 HN GLN 44 59.080 0.053 9.519 397 HA GLN 44 HA GLN 44 57.205 2.213 10.002 398 1HB GLN 44 HB2 GLN 44 59.525 1.753 8.208 399 2HB GLN 44 HB1 GLN 44 58.399 3.032 7.784 400 1HG GLN 44 HG2 GLN 44 59.484 2.837 10.584 401 2HG GLN 44 HG1 GLN 44 60.451 3.585 9.312 402 1HE2 GLN 44 HE22 GLN 44 58.217 6.379 8.917 403 2HE2 GLN 44 HE21 GLN 44 59.320 5.407 8.070 404 H LEU 45 HN LEU 45 57.176 -0.551 7.850 405 HA LEU 45 HA LEU 45 54.662 0.535 6.711 406 1HB LEU 45 HB2 LEU 45 55.254 0.256 4.455 407 2HB LEU 45 HB1 LEU 45 56.720 0.909 5.162 408 HG LEU 45 HG LEU 45 56.291 -2.059 4.823 409 1HD1 LEU 45 HD13 LEU 45 57.655 -0.124 2.941 410 2HD1 LEU 45 HD12 LEU 45 57.713 -1.880 2.809 411 3HD1 LEU 45 HD11 LEU 45 56.182 -1.030 2.596 412 1HD2 LEU 45 HD23 LEU 45 58.526 -0.203 5.491 413 2HD2 LEU 45 HD22 LEU 45 58.000 -1.650 6.352 414 3HD2 LEU 45 HD21 LEU 45 58.869 -1.797 4.823 415 H GLY 46 HN GLY 46 55.585 -1.722 8.611 416 1HA GLY 46 HA2 GLY 46 54.798 -3.857 9.151 417 2HA GLY 46 HA1 GLY 46 53.497 -3.554 8.005 418 H LEU 47 HN LEU 47 56.776 -3.445 6.797 419 HA LEU 47 HA LEU 47 56.258 -6.021 5.358 420 1HB LEU 47 HB2 LEU 47 57.619 -3.504 4.630 421 2HB LEU 47 HB1 LEU 47 58.504 -4.946 4.171 422 HG LEU 47 HG LEU 47 56.271 -5.781 3.189 423 1HD1 LEU 47 HD13 LEU 47 55.215 -3.648 4.439 424 2HD1 LEU 47 HD12 LEU 47 55.565 -2.911 2.877 425 3HD1 LEU 47 HD11 LEU 47 54.515 -4.319 2.969 426 1HD2 LEU 47 HD22 LEU 47 58.391 -4.488 2.075 427 2HD2 LEU 47 HD21 LEU 47 57.006 -5.048 1.138 428 3HD2 LEU 47 HD23 LEU 47 57.097 -3.366 1.657 429 H GLU 48 HN GLU 48 57.623 -7.764 5.767 430 HA GLU 48 HA GLU 48 59.523 -7.596 7.939 431 1HB GLU 48 HB2 GLU 48 60.217 -9.890 7.212 432 2HB GLU 48 HB1 GLU 48 58.478 -9.749 7.455 433 1HG GLU 48 HG2 GLU 48 58.682 -9.081 4.823 434 2HG GLU 48 HG1 GLU 48 60.007 -10.226 4.969 435 H LYS 49 HN LYS 49 61.915 -8.509 7.280 436 HA LYS 49 HA LYS 49 62.936 -6.415 5.513 437 1HB LYS 49 HB2 LYS 49 63.982 -7.688 7.707 438 2HB LYS 49 HB1 LYS 49 64.862 -8.456 6.386 439 1HG LYS 49 HG2 LYS 49 64.618 -5.542 6.056 440 2HG LYS 49 HG1 LYS 49 65.488 -5.997 7.520 441 1HD LYS 49 HD2 LYS 49 66.185 -7.444 5.001 442 2HD LYS 49 HD1 LYS 49 66.732 -5.775 5.161 443 1HE LYS 49 HE2 LYS 49 67.885 -6.281 7.226 444 2HE LYS 49 HE1 LYS 49 67.200 -7.905 7.265 445 1HZ LYS 49 HZ2 LYS 49 68.771 -7.049 4.931 446 2HZ LYS 49 HZ1 LYS 49 69.578 -7.530 6.347 447 3HZ LYS 49 HZ3 LYS 49 68.536 -8.611 5.557 448 H ASP 50 HN ASP 50 61.916 -9.652 5.067 449 HA ASP 50 HA ASP 50 63.710 -10.264 2.848 450 1HB ASP 50 HB2 ASP 50 62.576 -12.027 4.241 451 2HB ASP 50 HB1 ASP 50 61.038 -11.530 3.536 452 H VAL 51 HN VAL 51 60.327 -9.196 3.194 453 HA VAL 51 HA VAL 51 59.845 -8.975 0.348 454 HB VAL 51 HB VAL 51 57.980 -9.161 1.974 455 1HG1 VAL 51 HG13 VAL 51 59.289 -7.654 3.663 456 2HG1 VAL 51 HG12 VAL 51 58.522 -6.330 2.812 457 3HG1 VAL 51 HG11 VAL 51 57.532 -7.542 3.618 458 1HG2 VAL 51 HG23 VAL 51 58.097 -6.551 0.427 459 2HG2 VAL 51 HG22 VAL 51 57.413 -8.081 -0.122 460 3HG2 VAL 51 HG21 VAL 51 56.626 -7.177 1.172 461 H VAL 52 HN VAL 52 60.908 -6.772 2.899 462 HA VAL 52 HA VAL 52 60.876 -4.411 1.279 463 HB VAL 52 HB VAL 52 61.113 -4.827 3.911 464 1HG1 VAL 52 HG11 VAL 52 63.480 -5.733 3.583 465 2HG1 VAL 52 HG13 VAL 52 63.952 -4.070 3.234 466 3HG1 VAL 52 HG12 VAL 52 63.270 -4.482 4.807 467 1HG2 VAL 52 HG22 VAL 52 61.474 -2.597 2.097 468 2HG2 VAL 52 HG21 VAL 52 60.708 -2.634 3.684 469 3HG2 VAL 52 HG23 VAL 52 62.445 -2.374 3.551 470 NH1 ARG 53 NH1 ARG 53 70.783 -8.164 0.160 471 NH2 ARG 53 NH2 ARG 53 70.308 -9.135 -1.825 472 H ARG 53 HN ARG 53 63.266 -6.957 1.710 473 HA ARG 53 HA ARG 53 65.384 -5.527 0.307 474 1HB ARG 53 HB2 ARG 53 65.395 -7.710 1.916 475 2HB ARG 53 HB1 ARG 53 65.414 -8.498 0.340 476 1HG ARG 53 HG2 ARG 53 67.263 -6.192 0.714 477 2HG ARG 53 HG1 ARG 53 67.668 -7.684 1.562 478 1HD ARG 53 HD2 ARG 53 66.859 -8.310 -1.138 479 2HD ARG 53 HD1 ARG 53 68.122 -7.079 -1.169 480 HE ARG 53 HE ARG 53 68.431 -9.709 0.227 481 1HH1 ARG 53 HH11 ARG 53 70.490 -7.857 1.066 482 2HH1 ARG 53 HH12 ARG 53 71.731 -8.034 -0.130 483 1HH2 ARG 53 HH21 ARG 53 69.653 -9.573 -2.441 484 2HH2 ARG 53 HH22 ARG 53 71.257 -9.005 -2.116 485 H VAL 54 HN VAL 54 62.713 -7.622 -0.592 486 HA VAL 54 HA VAL 54 63.653 -8.248 -3.250 487 HB VAL 54 HB VAL 54 60.808 -8.134 -2.191 488 1HG1 VAL 54 HG11 VAL 54 61.932 -8.724 -4.812 489 2HG1 VAL 54 HG13 VAL 54 61.076 -10.123 -4.165 490 3HG1 VAL 54 HG12 VAL 54 60.242 -8.579 -4.331 491 1HG2 VAL 54 HG23 VAL 54 62.839 -9.727 -1.263 492 2HG2 VAL 54 HG22 VAL 54 61.136 -10.184 -1.244 493 3HG2 VAL 54 HG21 VAL 54 62.179 -10.730 -2.556 494 CH2 TRP 55 CH2 TRP 55 62.233 1.649 -2.287 495 H TRP 55 HN TRP 55 61.400 -5.725 -2.021 496 HA TRP 55 HA TRP 55 60.996 -4.553 -4.612 497 1HB TRP 55 HB2 TRP 55 59.408 -3.871 -2.961 498 2HB TRP 55 HB1 TRP 55 60.669 -3.449 -1.805 499 HD1 TRP 55 HD1 TRP 55 59.168 -2.188 -5.164 500 HE1 TRP 55 HE1 TRP 55 59.753 0.310 -5.395 501 HE3 TRP 55 HE3 TRP 55 62.126 -1.511 -1.034 502 HZ2 TRP 55 HZ2 TRP 55 61.222 2.302 -4.060 503 HZ3 TRP 55 HZ3 TRP 55 63.135 0.702 -0.596 504 HH2 TRP 55 HH2 TRP 55 62.665 2.612 -2.078 505 H PHE 56 HN PHE 56 63.474 -4.086 -2.089 506 HA PHE 56 HA PHE 56 64.631 -1.883 -3.590 507 1HB PHE 56 HB2 PHE 56 64.795 -2.400 -0.974 508 2HB PHE 56 HB1 PHE 56 66.278 -3.207 -1.494 509 HD1 PHE 56 HD1 PHE 56 64.461 -0.121 -2.587 510 HD2 PHE 56 HD2 PHE 56 68.166 -1.803 -1.244 511 HE1 PHE 56 HE1 PHE 56 65.541 2.075 -2.875 512 HE2 PHE 56 HE2 PHE 56 69.262 0.405 -1.545 513 HZ PHE 56 HZ PHE 56 67.933 2.336 -2.377 514 H CYS 57 HN CYS 57 64.804 -5.242 -3.916 515 HA CYS 57 HA CYS 57 67.531 -5.390 -4.916 516 1HB CYS 57 HB2 CYS 57 65.143 -7.169 -4.843 517 2HB CYS 57 HB1 CYS 57 66.245 -7.431 -6.194 518 HG CYS 57 HG CYS 57 67.443 -8.791 -4.461 519 H ASN 58 HN ASN 58 64.317 -4.769 -6.201 520 HA ASN 58 HA ASN 58 65.285 -4.449 -8.957 521 1HB ASN 58 HB2 ASN 58 62.616 -3.972 -7.604 522 2HB ASN 58 HB1 ASN 58 62.904 -3.590 -9.302 523 1HD2 ASN 58 HD22 ASN 58 62.531 -6.930 -10.336 524 2HD2 ASN 58 HD21 ASN 58 62.619 -5.290 -10.765 525 NH1 ARG 59 NH1 ARG 59 66.915 3.723 -7.192 526 NH2 ARG 59 NH2 ARG 59 67.695 3.396 -5.098 527 H ARG 59 HN ARG 59 64.638 -2.448 -6.126 528 HA ARG 59 HA ARG 59 64.730 0.065 -7.586 529 1HB ARG 59 HB2 ARG 59 64.035 -0.665 -4.942 530 2HB ARG 59 HB1 ARG 59 65.450 0.363 -4.764 531 1HG ARG 59 HG2 ARG 59 62.892 1.037 -6.237 532 2HG ARG 59 HG1 ARG 59 63.459 1.731 -4.724 533 1HD ARG 59 HD2 ARG 59 65.094 1.952 -7.258 534 2HD ARG 59 HD1 ARG 59 63.847 3.125 -6.853 535 HE ARG 59 HE ARG 59 65.216 3.329 -4.623 536 1HH1 ARG 59 HH11 ARG 59 66.155 3.736 -7.842 537 2HH1 ARG 59 HH12 ARG 59 67.839 3.955 -7.498 538 1HH2 ARG 59 HH21 ARG 59 67.534 3.158 -4.141 539 2HH2 ARG 59 HH22 ARG 59 68.617 3.628 -5.408 540 NH1 ARG 60 NH2 ARG 60 73.369 -2.852 -5.183 541 NH2 ARG 60 NH1 ARG 60 73.238 -4.078 -3.288 542 H ARG 60 HN ARG 60 67.097 -2.197 -6.502 543 HA ARG 60 HA ARG 60 69.266 -0.188 -6.422 544 1HB ARG 60 HB2 ARG 60 69.066 -3.146 -5.889 545 2HB ARG 60 HB1 ARG 60 70.642 -2.413 -6.191 546 1HG ARG 60 HG2 ARG 60 70.129 -0.737 -4.385 547 2HG ARG 60 HG1 ARG 60 68.671 -1.658 -4.016 548 1HD ARG 60 HD2 ARG 60 70.123 -2.662 -2.529 549 2HD ARG 60 HD1 ARG 60 70.418 -3.678 -3.940 550 HE ARG 60 HE ARG 60 72.179 -1.371 -3.204 551 1HH1 ARG 60 HH21 ARG 60 73.068 -2.073 -5.733 552 2HH1 ARG 60 HH22 ARG 60 74.071 -3.471 -5.536 553 1HH2 ARG 60 HH11 ARG 60 72.837 -4.238 -2.387 554 2HH2 ARG 60 HH12 ARG 60 73.941 -4.697 -3.640 555 H GLN 61 HN GLN 61 68.001 -2.769 -8.470 556 HA GLN 61 HA GLN 61 69.982 -1.994 -10.575 557 1HB GLN 61 HB2 GLN 61 68.481 -4.609 -10.211 558 2HB GLN 61 HB1 GLN 61 69.584 -4.247 -11.538 559 1HG GLN 61 HG2 GLN 61 71.189 -3.631 -9.459 560 2HG GLN 61 HG1 GLN 61 70.184 -4.861 -8.692 561 1HE2 GLN 61 HE22 GLN 61 71.963 -7.456 -10.247 562 2HE2 GLN 61 HE21 GLN 61 71.064 -6.915 -8.914 563 H LYS 62 HN LYS 62 68.098 -0.245 -10.553 564 HA LYS 62 HA LYS 62 65.695 -1.037 -12.011 565 1HB LYS 62 HB2 LYS 62 65.208 1.386 -12.033 566 2HB LYS 62 HB1 LYS 62 65.648 0.843 -10.416 567 1HG LYS 62 HG2 LYS 62 67.104 2.594 -10.464 568 2HG LYS 62 HG1 LYS 62 68.103 1.512 -11.434 569 1HD LYS 62 HD2 LYS 62 66.675 2.433 -13.435 570 2HD LYS 62 HD1 LYS 62 66.344 3.772 -12.336 571 1HE LYS 62 HE2 LYS 62 68.743 4.172 -12.051 572 2HE LYS 62 HE1 LYS 62 69.115 2.786 -13.077 573 1HZ LYS 62 HZ3 LYS 62 67.570 5.167 -13.948 574 2HZ LYS 62 HZ2 LYS 62 69.220 4.915 -14.268 575 3HZ LYS 62 HZ1 LYS 62 68.055 3.866 -14.923 576 H GLY 63 HN GLY 63 68.914 0.035 -12.815 577 1HA GLY 63 HA2 GLY 63 68.606 -0.580 -15.583 578 2HA GLY 63 HA1 GLY 63 68.503 1.169 -15.368 579 H LYS 64 HN LYS 64 70.482 -1.159 -13.553 580 HA LYS 64 HA LYS 64 72.884 0.447 -14.286 581 1HB LYS 64 HB2 LYS 64 72.104 -1.240 -11.951 582 2HB LYS 64 HB1 LYS 64 73.813 -1.205 -12.384 583 1HG LYS 64 HG2 LYS 64 73.953 1.147 -12.087 584 2HG LYS 64 HG1 LYS 64 72.199 1.332 -12.096 585 1HD LYS 64 HD2 LYS 64 72.870 1.503 -9.803 586 2HD LYS 64 HD1 LYS 64 72.162 -0.103 -9.989 587 1HE LYS 64 HE2 LYS 64 74.156 -0.538 -8.818 588 2HE LYS 64 HE1 LYS 64 74.597 -0.871 -10.493 589 1HZ LYS 64 HZ2 LYS 64 75.240 1.614 -10.508 590 2HZ LYS 64 HZ1 LYS 64 75.291 1.446 -8.818 591 3HZ LYS 64 HZ3 LYS 64 76.295 0.490 -9.794 592 NH1 ARG 65 NH1 ARG 65 72.499 -9.365 -15.288 593 NH2 ARG 65 NH2 ARG 65 71.243 -9.018 -13.442 594 H ARG 65 HN ARG 65 71.705 -1.444 -16.156 595 HA ARG 65 HA ARG 65 73.979 -3.376 -16.353 596 1HB ARG 65 HB2 ARG 65 71.029 -3.851 -16.758 597 2HB ARG 65 HB1 ARG 65 72.232 -4.874 -17.545 598 1HG ARG 65 HG2 ARG 65 73.221 -4.859 -15.023 599 2HG ARG 65 HG1 ARG 65 71.502 -4.677 -14.674 600 1HD ARG 65 HD2 ARG 65 70.982 -6.670 -15.980 601 2HD ARG 65 HD1 ARG 65 72.671 -6.826 -16.464 602 HE ARG 65 HE ARG 65 72.684 -6.837 -13.659 603 1HH1 ARG 65 HH11 ARG 65 73.088 -9.010 -16.014 604 2HH1 ARG 65 HH12 ARG 65 72.284 -10.341 -15.252 605 1HH2 ARG 65 HH21 ARG 65 70.869 -8.397 -12.753 606 2HH2 ARG 65 HH22 ARG 65 71.028 -9.994 -13.404 607 H SER 66 HN SER 66 71.464 -1.566 -18.111 608 HA SER 66 HA SER 66 72.704 -2.089 -20.704 609 1HB SER 66 HB2 SER 66 70.186 -1.428 -20.004 610 2HB SER 66 HB1 SER 66 70.805 0.180 -20.370 611 HG SER 66 HG SER 66 69.895 -1.045 -22.180 612 H SER 67 HN SER 67 74.817 -1.265 -20.593 613 HA SER 67 HA SER 67 75.159 1.607 -19.909 614 1HB SER 67 HB2 SER 67 77.626 1.009 -20.172 615 2HB SER 67 HB1 SER 67 76.784 0.203 -18.851 616 HG SER 67 HG SER 67 77.392 -1.571 -19.788 Start of MODEL 19 Raw file had 616 H/Q atoms Start of MODEL 19 1 1H MET 1 HT3 MET 1 42.050 15.770 19.051 2 2H MET 1 HT2 MET 1 42.123 14.875 20.493 3 3H MET 1 HT1 MET 1 42.647 14.182 19.033 4 HA MET 1 HA MET 1 40.580 13.231 19.279 5 1HB MET 1 HB2 MET 1 38.605 14.611 20.012 6 2HB MET 1 HB1 MET 1 39.862 14.459 21.238 7 1HG MET 1 HG2 MET 1 40.269 16.755 19.443 8 2HG MET 1 HG1 MET 1 38.762 16.846 20.351 9 1HE MET 1 HE2 MET 1 39.765 19.065 21.286 10 2HE MET 1 HE1 MET 1 38.713 18.163 22.373 11 3HE MET 1 HE3 MET 1 40.182 18.927 22.993 12 H GLU 2 HN GLU 2 41.113 13.253 16.962 13 HA GLU 2 HA GLU 2 39.332 15.117 15.453 14 1HB GLU 2 HB2 GLU 2 42.192 14.340 14.836 15 2HB GLU 2 HB1 GLU 2 41.109 15.004 13.612 16 1HG GLU 2 HG2 GLU 2 41.499 16.401 16.255 17 2HG GLU 2 HG1 GLU 2 42.618 16.661 14.916 18 H THR 3 HN THR 3 38.100 12.935 15.960 19 HA THR 3 HA THR 3 38.773 10.841 13.962 20 HB THR 3 HB THR 3 36.629 9.826 15.234 21 HG1 THR 3 HG1 THR 3 36.255 11.530 16.578 22 1HG2 THR 3 HG23 THR 3 38.927 8.870 15.095 23 2HG2 THR 3 HG22 THR 3 39.409 9.911 16.434 24 3HG2 THR 3 HG21 THR 3 38.197 8.654 16.686 25 H LEU 4 HN LEU 4 38.110 12.389 12.219 26 HA LEU 4 HA LEU 4 35.215 12.079 11.663 27 1HB LEU 4 HB2 LEU 4 36.571 14.606 12.262 28 2HB LEU 4 HB1 LEU 4 35.759 14.634 10.697 29 HG LEU 4 HG LEU 4 34.396 13.650 13.211 30 1HD1 LEU 4 HD12 LEU 4 35.199 16.073 13.341 31 2HD1 LEU 4 HD11 LEU 4 34.113 16.405 11.992 32 3HD1 LEU 4 HD13 LEU 4 33.462 15.828 13.527 33 1HD2 LEU 4 HD21 LEU 4 33.468 14.540 10.465 34 2HD2 LEU 4 HD23 LEU 4 33.333 12.927 11.165 35 3HD2 LEU 4 HD22 LEU 4 32.372 14.255 11.817 36 H VAL 5 HN VAL 5 37.996 13.787 10.221 37 HA VAL 5 HA VAL 5 37.705 12.035 7.818 38 HB VAL 5 HB VAL 5 38.265 15.016 7.742 39 1HG1 VAL 5 HG13 VAL 5 39.025 13.267 5.901 40 2HG1 VAL 5 HG12 VAL 5 37.327 13.352 5.433 41 3HG1 VAL 5 HG11 VAL 5 38.317 14.812 5.430 42 1HG2 VAL 5 HG21 VAL 5 35.737 13.441 7.709 43 2HG2 VAL 5 HG23 VAL 5 36.023 15.097 8.246 44 3HG2 VAL 5 HG22 VAL 5 35.868 14.743 6.526 45 H GLN 6 HN GLN 6 39.535 10.922 8.946 46 HA GLN 6 HA GLN 6 42.083 12.353 9.144 47 1HB GLN 6 HB2 GLN 6 41.370 9.420 9.446 48 2HB GLN 6 HB1 GLN 6 42.979 10.085 9.732 49 1HG GLN 6 HG2 GLN 6 42.218 11.412 11.560 50 2HG GLN 6 HG1 GLN 6 40.525 11.151 11.139 51 1HE2 GLN 6 HE21 GLN 6 43.386 9.596 12.569 52 2HE2 GLN 6 HE22 GLN 6 42.544 8.293 13.257 53 H ALA 7 HN ALA 7 43.982 10.785 8.121 54 HA ALA 7 HA ALA 7 43.930 11.301 5.326 55 1HB ALA 7 HB1 ALA 7 45.893 10.689 7.069 56 2HB ALA 7 HB3 ALA 7 45.688 9.113 6.305 57 3HB ALA 7 HB2 ALA 7 46.086 10.523 5.324 58 NH1 ARG 8 NH2 ARG 8 36.218 6.575 1.868 59 NH2 ARG 8 NH1 ARG 8 35.710 5.242 3.621 60 H ARG 8 HN ARG 8 42.381 10.334 4.072 61 HA ARG 8 HA ARG 8 41.646 7.530 4.503 62 1HB ARG 8 HB2 ARG 8 40.477 9.856 3.193 63 2HB ARG 8 HB1 ARG 8 40.397 8.432 2.158 64 1HG ARG 8 HG2 ARG 8 39.694 7.913 4.978 65 2HG ARG 8 HG1 ARG 8 38.595 9.016 4.151 66 1HD ARG 8 HD2 ARG 8 38.617 7.265 2.235 67 2HD ARG 8 HD1 ARG 8 39.275 6.165 3.445 68 HE ARG 8 HE ARG 8 37.079 7.139 4.733 69 1HH1 ARG 8 HH21 ARG 8 36.756 7.320 1.473 70 2HH1 ARG 8 HH22 ARG 8 35.531 6.106 1.312 71 1HH2 ARG 8 HH11 ARG 8 35.859 4.965 4.570 72 2HH2 ARG 8 HH12 ARG 8 35.023 4.773 3.066 73 H LYS 9 HN LYS 9 41.414 6.240 2.297 74 HA LYS 9 HA LYS 9 44.088 6.280 1.051 75 1HB LYS 9 HB2 LYS 9 41.872 4.218 1.056 76 2HB LYS 9 HB1 LYS 9 43.382 4.030 0.163 77 1HG LYS 9 HG2 LYS 9 44.680 3.999 2.154 78 2HG LYS 9 HG1 LYS 9 43.345 4.618 3.126 79 1HD LYS 9 HD2 LYS 9 42.085 2.481 2.478 80 2HD LYS 9 HD1 LYS 9 43.636 1.870 1.902 81 1HE LYS 9 HE2 LYS 9 43.203 2.946 4.700 82 2HE LYS 9 HE1 LYS 9 43.085 1.236 4.287 83 1HZ LYS 9 HZ2 LYS 9 45.474 2.857 3.639 84 2HZ LYS 9 HZ1 LYS 9 45.309 2.043 5.121 85 3HZ LYS 9 HZ3 LYS 9 45.329 1.165 3.669 86 NH1 ARG 10 NH2 ARG 10 36.453 11.040 -3.820 87 NH2 ARG 10 NH1 ARG 10 35.967 8.835 -3.919 88 H ARG 10 HN ARG 10 42.274 8.339 0.251 89 HA ARG 10 HA ARG 10 41.105 7.521 -2.301 90 1HB ARG 10 HB2 ARG 10 40.035 9.227 -0.798 91 2HB ARG 10 HB1 ARG 10 41.381 10.309 -1.158 92 1HG ARG 10 HG2 ARG 10 39.702 10.923 -2.715 93 2HG ARG 10 HG1 ARG 10 40.808 9.904 -3.638 94 1HD ARG 10 HD2 ARG 10 39.353 8.013 -3.477 95 2HD ARG 10 HD1 ARG 10 38.353 8.802 -2.256 96 HE ARG 10 HE ARG 10 38.478 9.723 -5.102 97 1HH1 ARG 10 HH21 ARG 10 37.120 11.783 -3.873 98 2HH1 ARG 10 HH22 ARG 10 35.491 11.243 -3.640 99 1HH2 ARG 10 HH11 ARG 10 36.260 7.889 -4.049 100 2HH2 ARG 10 HH12 ARG 10 35.005 9.040 -3.740 101 H LYS 11 HN LYS 11 43.781 9.601 -1.199 102 HA LYS 11 HA LYS 11 44.637 10.152 -3.927 103 1HB LYS 11 HB2 LYS 11 46.105 10.662 -1.326 104 2HB LYS 11 HB1 LYS 11 46.452 11.401 -2.889 105 1HG LYS 11 HG2 LYS 11 43.661 11.684 -1.904 106 2HG LYS 11 HG1 LYS 11 44.892 12.583 -1.019 107 1HD LYS 11 HD2 LYS 11 45.716 13.375 -3.331 108 2HD LYS 11 HD1 LYS 11 44.171 12.782 -3.943 109 1HE LYS 11 HE2 LYS 11 44.443 14.755 -1.658 110 2HE LYS 11 HE1 LYS 11 44.134 15.218 -3.332 111 1HZ LYS 11 HZ2 LYS 11 42.422 13.252 -1.946 112 2HZ LYS 11 HZ1 LYS 11 42.145 14.921 -1.787 113 3HZ LYS 11 HZ3 LYS 11 42.068 14.191 -3.317 114 NH1 ARG 12 NH1 ARG 12 52.345 10.814 -7.349 115 NH2 ARG 12 NH2 ARG 12 52.760 8.967 -8.585 116 H ARG 12 HN ARG 12 47.262 9.819 -4.105 117 HA ARG 12 HA ARG 12 47.750 6.939 -3.449 118 1HB ARG 12 HB2 ARG 12 48.991 6.744 -5.553 119 2HB ARG 12 HB1 ARG 12 47.345 7.288 -5.866 120 1HG ARG 12 HG2 ARG 12 48.339 8.928 -7.092 121 2HG ARG 12 HG1 ARG 12 48.654 9.680 -5.528 122 1HD ARG 12 HD2 ARG 12 50.881 9.144 -5.568 123 2HD ARG 12 HD1 ARG 12 50.599 7.607 -6.385 124 HE ARG 12 HE ARG 12 50.046 9.379 -8.375 125 1HH1 ARG 12 HH11 ARG 12 51.718 11.364 -6.798 126 2HH1 ARG 12 HH12 ARG 12 53.282 11.127 -7.504 127 1HH2 ARG 12 HH21 ARG 12 52.450 8.103 -8.981 128 2HH2 ARG 12 HH22 ARG 12 53.697 9.280 -8.739 129 H THR 13 HN THR 13 48.615 9.755 -2.291 130 HA THR 13 HA THR 13 51.524 9.654 -2.557 131 HB THR 13 HB THR 13 50.453 11.816 -2.199 132 HG1 THR 13 HG1 THR 13 52.194 12.210 -1.127 133 1HG2 THR 13 HG22 THR 13 49.310 10.431 0.224 134 2HG2 THR 13 HG21 THR 13 49.408 12.188 0.130 135 3HG2 THR 13 HG23 THR 13 48.451 11.294 -1.051 136 H SER 14 HN SER 14 49.084 8.362 -0.416 137 HA SER 14 HA SER 14 50.967 7.687 1.719 138 1HB SER 14 HB2 SER 14 49.080 6.683 2.802 139 2HB SER 14 HB1 SER 14 48.475 8.141 2.022 140 HG SER 14 HG SER 14 47.088 6.650 1.327 141 H ILE 15 HN ILE 15 50.204 5.036 2.282 142 HA ILE 15 HA ILE 15 51.760 3.618 0.224 143 HB ILE 15 HB ILE 15 50.626 2.686 2.874 144 1HG1 ILE 15 HG12 ILE 15 52.437 4.360 3.050 145 2HG1 ILE 15 HG11 ILE 15 52.981 2.779 3.604 146 1HG2 ILE 15 HG22 ILE 15 52.327 1.289 0.794 147 2HG2 ILE 15 HG21 ILE 15 52.287 0.768 2.479 148 3HG2 ILE 15 HG23 ILE 15 50.814 0.734 1.509 149 1HD1 ILE 15 HD12 ILE 15 53.729 2.533 1.050 150 2HD1 ILE 15 HD11 ILE 15 53.754 4.293 1.138 151 3HD1 ILE 15 HD13 ILE 15 54.754 3.340 2.229 152 H GLU 16 HN GLU 16 50.201 3.643 -1.515 153 HA GLU 16 HA GLU 16 47.584 2.450 -1.216 154 1HB GLU 16 HB2 GLU 16 48.522 3.999 -3.133 155 2HB GLU 16 HB1 GLU 16 49.112 2.483 -3.813 156 1HG GLU 16 HG2 GLU 16 47.061 2.186 -4.701 157 2HG GLU 16 HG1 GLU 16 46.467 1.923 -3.062 158 H ASN 17 HN ASN 17 47.041 0.264 -1.838 159 HA ASN 17 HA ASN 17 48.933 -1.712 -1.073 160 1HB ASN 17 HB2 ASN 17 46.242 -1.739 -1.519 161 2HB ASN 17 HB1 ASN 17 46.814 -2.591 -2.954 162 1HD2 ASN 17 HD22 ASN 17 47.686 -5.516 -1.180 163 2HD2 ASN 17 HD21 ASN 17 47.604 -4.733 -2.684 164 NH1 ARG 18 NH1 ARG 18 47.505 -0.828 -11.251 165 NH2 ARG 18 NH2 ARG 18 46.333 1.016 -10.672 166 H ARG 18 HN ARG 18 48.451 -0.122 -4.116 167 HA ARG 18 HA ARG 18 49.966 -2.170 -5.598 168 1HB ARG 18 HB2 ARG 18 48.347 0.207 -6.261 169 2HB ARG 18 HB1 ARG 18 49.790 0.032 -7.258 170 1HG ARG 18 HG2 ARG 18 49.097 -2.009 -8.143 171 2HG ARG 18 HG1 ARG 18 48.049 -2.363 -6.769 172 1HD ARG 18 HD2 ARG 18 46.681 -1.779 -8.713 173 2HD ARG 18 HD1 ARG 18 46.534 -0.523 -7.484 174 HE ARG 18 HE ARG 18 48.396 0.649 -8.908 175 1HH1 ARG 18 HH11 ARG 18 48.151 -1.554 -11.012 176 2HH1 ARG 18 HH12 ARG 18 47.112 -0.791 -12.169 177 1HH2 ARG 18 HH21 ARG 18 46.081 1.704 -9.991 178 2HH2 ARG 18 HH22 ARG 18 45.939 1.055 -11.591 179 H VAL 19 HN VAL 19 50.481 0.921 -4.010 180 HA VAL 19 HA VAL 19 53.005 1.489 -5.247 181 HB VAL 19 HB VAL 19 51.392 2.953 -3.634 182 1HG1 VAL 19 HG13 VAL 19 53.675 2.099 -1.829 183 2HG1 VAL 19 HG12 VAL 19 52.560 3.424 -1.517 184 3HG1 VAL 19 HG11 VAL 19 51.964 1.765 -1.558 185 1HG2 VAL 19 HG21 VAL 19 54.356 3.180 -4.158 186 2HG2 VAL 19 HG23 VAL 19 53.038 3.946 -5.043 187 3HG2 VAL 19 HG22 VAL 19 53.432 4.482 -3.409 188 NH1 ARG 20 NH1 ARG 20 53.692 -1.719 4.469 189 NH2 ARG 20 NH2 ARG 20 51.573 -2.493 4.335 190 H ARG 20 HN ARG 20 52.118 -0.223 -2.261 191 HA ARG 20 HA ARG 20 54.792 -0.726 -1.395 192 1HB ARG 20 HB2 ARG 20 52.482 -1.142 -0.201 193 2HB ARG 20 HB1 ARG 20 52.614 -2.737 -0.943 194 1HG ARG 20 HG2 ARG 20 54.862 -3.003 0.081 195 2HG ARG 20 HG1 ARG 20 54.666 -1.439 0.873 196 1HD ARG 20 HD2 ARG 20 52.647 -3.656 1.227 197 2HD ARG 20 HD1 ARG 20 54.071 -3.525 2.259 198 HE ARG 20 HE ARG 20 52.270 -1.170 2.013 199 1HH1 ARG 20 HH11 ARG 20 54.520 -1.380 4.023 200 2HH1 ARG 20 HH12 ARG 20 53.659 -1.803 5.465 201 1HH2 ARG 20 HH21 ARG 20 50.777 -2.748 3.787 202 2HH2 ARG 20 HH22 ARG 20 51.542 -2.579 5.332 203 CH2 TRP 21 CH2 TRP 21 54.899 -7.302 0.064 204 H TRP 21 HN TRP 21 52.624 -2.892 -3.273 205 HA TRP 21 HA TRP 21 54.883 -4.657 -3.695 206 1HB TRP 21 HB2 TRP 21 52.025 -4.764 -4.291 207 2HB TRP 21 HB1 TRP 21 53.002 -5.389 -5.627 208 HD1 TRP 21 HD1 TRP 21 52.691 -7.981 -5.171 209 HE1 TRP 21 HE1 TRP 21 53.499 -9.542 -3.274 210 HE3 TRP 21 HE3 TRP 21 54.117 -4.528 -1.701 211 HZ2 TRP 21 HZ2 TRP 21 54.628 -9.317 -0.619 212 HZ3 TRP 21 HZ3 TRP 21 55.051 -5.186 0.462 213 HH2 TRP 21 HH2 TRP 21 55.322 -7.596 1.014 214 H SER 22 HN SER 22 54.088 -1.683 -5.030 215 HA SER 22 HA SER 22 55.254 -2.142 -7.658 216 1HB SER 22 HB2 SER 22 53.715 -0.233 -7.337 217 2HB SER 22 HB1 SER 22 54.782 0.429 -6.103 218 HG SER 22 HG SER 22 55.244 1.421 -8.050 219 H LEU 23 HN LEU 23 56.226 -1.128 -4.411 220 HA LEU 23 HA LEU 23 58.934 -0.357 -4.889 221 1HB LEU 23 HB2 LEU 23 57.722 -1.859 -2.532 222 2HB LEU 23 HB1 LEU 23 59.333 -1.190 -2.539 223 HG LEU 23 HG LEU 23 57.103 0.673 -3.187 224 1HD1 LEU 23 HD13 LEU 23 56.726 -0.963 -1.048 225 2HD1 LEU 23 HD12 LEU 23 57.727 0.279 -0.298 226 3HD1 LEU 23 HD11 LEU 23 56.202 0.720 -1.066 227 1HD2 LEU 23 HD23 LEU 23 59.740 0.762 -1.690 228 2HD2 LEU 23 HD22 LEU 23 59.318 1.602 -3.181 229 3HD2 LEU 23 HD21 LEU 23 58.596 2.104 -1.652 230 H GLU 24 HN GLU 24 57.359 -3.439 -4.231 231 HA GLU 24 HA GLU 24 59.615 -5.155 -4.274 232 1HB GLU 24 HB2 GLU 24 57.096 -5.645 -3.775 233 2HB GLU 24 HB1 GLU 24 56.998 -5.981 -5.504 234 1HG GLU 24 HG2 GLU 24 58.376 -7.836 -5.364 235 2HG GLU 24 HG1 GLU 24 59.229 -7.225 -3.946 236 H THR 25 HN THR 25 57.546 -4.133 -7.002 237 HA THR 25 HA THR 25 58.878 -5.660 -9.002 238 HB THR 25 HB THR 25 57.783 -4.216 -10.610 239 HG1 THR 25 HG1 THR 25 56.809 -2.286 -9.883 240 1HG2 THR 25 HG22 THR 25 56.386 -5.243 -8.251 241 2HG2 THR 25 HG21 THR 25 55.512 -3.932 -9.041 242 3HG2 THR 25 HG23 THR 25 55.957 -5.371 -9.956 243 H MET 26 HN MET 26 59.751 -2.646 -7.449 244 HA MET 26 HA MET 26 61.761 -2.010 -9.513 245 1HB MET 26 HB2 MET 26 60.956 -0.689 -6.916 246 2HB MET 26 HB1 MET 26 62.310 -0.118 -7.892 247 1HG MET 26 HG2 MET 26 59.635 -0.563 -9.187 248 2HG MET 26 HG1 MET 26 59.923 0.915 -8.270 249 1HE MET 26 HE3 MET 26 59.206 1.966 -10.463 250 2HE MET 26 HE2 MET 26 60.188 2.107 -11.920 251 3HE MET 26 HE1 MET 26 59.329 0.606 -11.587 252 H PHE 27 HN PHE 27 61.664 -3.613 -6.398 253 HA PHE 27 HA PHE 27 64.599 -3.455 -6.115 254 1HB PHE 27 HB2 PHE 27 62.394 -4.529 -4.354 255 2HB PHE 27 HB1 PHE 27 64.078 -4.949 -4.065 256 HD1 PHE 27 HD2 PHE 27 65.792 -3.007 -3.965 257 HD2 PHE 27 HD1 PHE 27 61.554 -2.471 -3.550 258 HE1 PHE 27 HE2 PHE 27 66.175 -0.817 -2.865 259 HE2 PHE 27 HE1 PHE 27 61.933 -0.285 -2.451 260 HZ PHE 27 HZ PHE 27 64.243 0.540 -2.106 261 H LEU 28 HN LEU 28 62.314 -5.554 -7.571 262 HA LEU 28 HA LEU 28 64.009 -7.943 -7.253 263 1HB LEU 28 HB2 LEU 28 61.397 -7.466 -8.704 264 2HB LEU 28 HB1 LEU 28 62.226 -9.023 -8.658 265 HG LEU 28 HG LEU 28 61.397 -7.467 -6.194 266 1HD1 LEU 28 HD13 LEU 28 60.048 -9.672 -7.746 267 2HD1 LEU 28 HD12 LEU 28 59.744 -9.448 -6.024 268 3HD1 LEU 28 HD11 LEU 28 59.358 -8.158 -7.162 269 1HD2 LEU 28 HD22 LEU 28 62.690 -10.139 -6.712 270 2HD2 LEU 28 HD21 LEU 28 63.168 -8.882 -5.571 271 3HD2 LEU 28 HD23 LEU 28 61.748 -9.875 -5.244 272 H LYS 29 HN LYS 29 64.729 -5.398 -8.921 273 HA LYS 29 HA LYS 29 65.167 -6.729 -11.542 274 1HB LYS 29 HB2 LYS 29 65.731 -4.502 -12.389 275 2HB LYS 29 HB1 LYS 29 64.190 -4.420 -11.541 276 1HG LYS 29 HG2 LYS 29 65.493 -3.675 -9.480 277 2HG LYS 29 HG1 LYS 29 66.900 -3.512 -10.530 278 1HD LYS 29 HD2 LYS 29 64.311 -2.202 -11.308 279 2HD LYS 29 HD1 LYS 29 65.354 -1.430 -10.113 280 1HE LYS 29 HE2 LYS 29 66.323 -2.350 -12.831 281 2HE LYS 29 HE1 LYS 29 65.792 -0.702 -12.491 282 1HZ LYS 29 HZ1 LYS 29 67.472 -0.903 -10.545 283 2HZ LYS 29 HZ3 LYS 29 68.153 -2.138 -11.487 284 3HZ LYS 29 HZ2 LYS 29 68.036 -0.562 -12.111 285 H CYS 30 HN CYS 30 66.840 -5.096 -8.899 286 HA CYS 30 HA CYS 30 69.278 -6.621 -9.536 287 1HB CYS 30 HB2 CYS 30 69.031 -3.625 -9.335 288 2HB CYS 30 HB1 CYS 30 70.545 -4.427 -8.917 289 HG CYS 30 HG CYS 30 69.822 -3.800 -11.675 290 HA PRO 31 HA PRO 31 68.971 -6.890 -5.061 291 1HB PRO 31 HB2 PRO 31 71.222 -8.384 -4.635 292 2HB PRO 31 HB1 PRO 31 69.734 -9.073 -5.309 293 1HG PRO 31 HG2 PRO 31 72.300 -8.457 -6.679 294 2HG PRO 31 HG1 PRO 31 71.042 -9.620 -7.127 295 1HD PRO 31 HD2 PRO 31 71.458 -7.024 -8.258 296 2HD PRO 31 HD1 PRO 31 70.097 -8.121 -8.574 297 H LYS 32 HN LYS 32 70.811 -4.733 -6.589 298 HA LYS 32 HA LYS 32 72.547 -4.206 -4.241 299 1HB LYS 32 HB2 LYS 32 74.136 -3.155 -5.864 300 2HB LYS 32 HB1 LYS 32 73.901 -4.882 -6.138 301 1HG LYS 32 HG2 LYS 32 72.582 -4.535 -8.045 302 2HG LYS 32 HG1 LYS 32 72.156 -2.892 -7.571 303 1HD LYS 32 HD2 LYS 32 75.018 -3.616 -8.174 304 2HD LYS 32 HD1 LYS 32 73.900 -3.203 -9.474 305 1HE LYS 32 HE2 LYS 32 73.452 -1.037 -8.483 306 2HE LYS 32 HE1 LYS 32 74.397 -1.451 -7.053 307 1HZ LYS 32 HZ3 LYS 32 75.531 -1.388 -9.791 308 2HZ LYS 32 HZ2 LYS 32 75.576 -0.059 -8.734 309 3HZ LYS 32 HZ1 LYS 32 76.376 -1.500 -8.324 310 HA PRO 33 HA PRO 33 69.852 -0.473 -5.231 311 1HB PRO 33 HB2 PRO 33 68.367 -0.425 -2.919 312 2HB PRO 33 HB1 PRO 33 67.844 -1.247 -4.400 313 1HG PRO 33 HG2 PRO 33 68.925 -2.423 -1.878 314 2HG PRO 33 HG1 PRO 33 67.796 -3.122 -3.051 315 1HD PRO 33 HD2 PRO 33 70.535 -3.751 -2.872 316 2HD PRO 33 HD1 PRO 33 69.489 -4.080 -4.270 317 H SER 34 HN SER 34 70.905 1.391 -4.696 318 HA SER 34 HA SER 34 72.908 1.469 -2.619 319 1HB SER 34 HB2 SER 34 71.874 3.290 -4.701 320 2HB SER 34 HB1 SER 34 72.562 4.076 -3.284 321 HG SER 34 HG SER 34 73.774 2.136 -4.967 322 H LEU 35 HN LEU 35 72.896 2.631 -0.674 323 HA LEU 35 HA LEU 35 70.416 2.754 0.769 324 1HB LEU 35 HB2 LEU 35 73.107 4.071 1.257 325 2HB LEU 35 HB1 LEU 35 71.766 4.137 2.404 326 HG LEU 35 HG LEU 35 71.858 1.463 1.812 327 1HD1 LEU 35 HD12 LEU 35 74.636 2.615 1.616 328 2HD1 LEU 35 HD11 LEU 35 74.377 0.973 2.205 329 3HD1 LEU 35 HD13 LEU 35 73.862 1.417 0.578 330 1HD2 LEU 35 HD23 LEU 35 72.027 3.002 4.039 331 2HD2 LEU 35 HD22 LEU 35 72.282 1.257 4.056 332 3HD2 LEU 35 HD21 LEU 35 73.665 2.351 3.998 333 H GLN 36 HN GLN 36 72.143 4.933 -1.307 334 HA GLN 36 HA GLN 36 70.677 7.354 -0.619 335 1HB GLN 36 HB2 GLN 36 72.898 7.226 -1.897 336 2HB GLN 36 HB1 GLN 36 71.955 6.698 -3.292 337 1HG GLN 36 HG2 GLN 36 70.881 8.753 -3.515 338 2HG GLN 36 HG1 GLN 36 71.131 9.182 -1.822 339 1HE2 GLN 36 HE22 GLN 36 73.837 10.348 -4.558 340 2HE2 GLN 36 HE21 GLN 36 72.344 9.658 -4.979 341 H GLN 37 HN GLN 37 70.348 4.713 -2.921 342 HA GLN 37 HA GLN 37 68.070 5.699 -4.344 343 1HB GLN 37 HB2 GLN 37 69.616 3.673 -4.882 344 2HB GLN 37 HB1 GLN 37 68.553 2.772 -3.800 345 1HG GLN 37 HG2 GLN 37 66.773 2.869 -5.242 346 2HG GLN 37 HG1 GLN 37 67.220 4.463 -5.851 347 1HE2 GLN 37 HE22 GLN 37 68.966 1.142 -7.549 348 2HE2 GLN 37 HE21 GLN 37 68.336 1.032 -5.976 349 H ILE 38 HN ILE 38 68.462 4.100 -1.223 350 HA ILE 38 HA ILE 38 65.652 3.472 -0.927 351 HB ILE 38 HB ILE 38 67.899 3.616 1.106 352 1HG1 ILE 38 HG12 ILE 38 67.984 1.747 -0.506 353 2HG1 ILE 38 HG11 ILE 38 67.590 1.153 1.106 354 1HG2 ILE 38 HG21 ILE 38 65.017 3.642 1.542 355 2HG2 ILE 38 HG23 ILE 38 65.711 2.144 2.163 356 3HG2 ILE 38 HG22 ILE 38 66.312 3.699 2.736 357 1HD1 ILE 38 HD13 ILE 38 65.095 1.748 -0.007 358 2HD1 ILE 38 HD12 ILE 38 65.998 1.044 -1.347 359 3HD1 ILE 38 HD11 ILE 38 65.797 0.137 0.151 360 H THR 39 HN THR 39 67.708 6.221 -0.297 361 HA THR 39 HA THR 39 65.891 7.718 1.359 362 HB THR 39 HB THR 39 67.638 9.130 -0.620 363 HG1 THR 39 HG1 THR 39 68.583 7.614 1.582 364 1HG2 THR 39 HG23 THR 39 66.815 9.423 2.257 365 2HG2 THR 39 HG22 THR 39 68.241 10.266 1.652 366 3HG2 THR 39 HG21 THR 39 66.660 10.580 0.936 367 H HIS 40 HN HIS 40 66.411 7.523 -2.140 368 HA HIS 40 HA HIS 40 64.265 9.356 -2.832 369 1HB HIS 40 HB2 HIS 40 66.053 7.470 -4.302 370 2HB HIS 40 HB1 HIS 40 64.550 7.947 -5.091 371 HD1 HIS 40 HD1 HIS 40 64.977 9.874 -6.601 372 HD2 HIS 40 HD2 HIS 40 67.242 10.144 -3.113 373 HE1 HIS 40 HE1 HIS 40 66.265 12.049 -6.752 374 H ILE 41 HN ILE 41 64.436 5.997 -1.963 375 HA ILE 41 HA ILE 41 62.000 5.121 -3.220 376 HB ILE 41 HB ILE 41 64.034 4.077 -1.444 377 1HG1 ILE 41 HG12 ILE 41 62.603 1.917 -2.458 378 2HG1 ILE 41 HG11 ILE 41 62.317 3.194 -3.639 379 1HG2 ILE 41 HG23 ILE 41 61.196 3.417 -0.682 380 2HG2 ILE 41 HG22 ILE 41 62.542 2.330 -0.340 381 3HG2 ILE 41 HG21 ILE 41 62.512 3.946 0.368 382 1HD1 ILE 41 HD11 ILE 41 65.097 2.617 -2.616 383 2HD1 ILE 41 HD13 ILE 41 64.411 1.702 -3.957 384 3HD1 ILE 41 HD12 ILE 41 64.624 3.447 -4.098 385 H ALA 42 HN ALA 42 62.777 6.335 0.037 386 HA ALA 42 HA ALA 42 60.127 6.218 1.064 387 1HB ALA 42 HB3 ALA 42 62.673 7.076 1.985 388 2HB ALA 42 HB2 ALA 42 61.565 8.428 2.222 389 3HB ALA 42 HB1 ALA 42 61.206 6.857 2.938 390 H ASN 43 HN ASN 43 61.931 8.965 -0.304 391 HA ASN 43 HA ASN 43 59.684 10.746 -0.346 392 1HB ASN 43 HB2 ASN 43 62.389 10.654 -1.564 393 2HB ASN 43 HB1 ASN 43 61.198 11.627 -2.426 394 1HD2 ASN 43 HD22 ASN 43 60.791 13.945 0.333 395 2HD2 ASN 43 HD21 ASN 43 59.901 13.189 -0.899 396 H GLN 44 HN GLN 44 60.511 7.975 -2.235 397 HA GLN 44 HA GLN 44 59.081 8.712 -4.631 398 1HB GLN 44 HB2 GLN 44 60.562 6.381 -3.644 399 2HB GLN 44 HB1 GLN 44 59.210 5.973 -4.688 400 1HG GLN 44 HG2 GLN 44 61.346 8.008 -5.390 401 2HG GLN 44 HG1 GLN 44 61.384 6.323 -5.909 402 1HE2 GLN 44 HE22 GLN 44 59.754 7.871 -8.754 403 2HE2 GLN 44 HE21 GLN 44 61.300 7.563 -8.124 404 H LEU 45 HN LEU 45 58.216 7.038 -1.635 405 HA LEU 45 HA LEU 45 55.415 7.016 -2.663 406 1HB LEU 45 HB2 LEU 45 54.965 4.872 -1.797 407 2HB LEU 45 HB1 LEU 45 56.540 4.721 -2.559 408 HG LEU 45 HG LEU 45 56.214 5.260 0.391 409 1HD1 LEU 45 HD13 LEU 45 55.216 3.037 -0.713 410 2HD1 LEU 45 HD12 LEU 45 56.913 2.562 -0.677 411 3HD1 LEU 45 HD11 LEU 45 56.086 2.993 0.814 412 1HD2 LEU 45 HD23 LEU 45 58.416 4.601 -1.517 413 2HD2 LEU 45 HD22 LEU 45 58.416 5.733 -0.164 414 3HD2 LEU 45 HD21 LEU 45 58.532 4.000 0.136 415 H GLY 46 HN GLY 46 57.041 8.824 -0.802 416 1HA GLY 46 HA2 GLY 46 56.648 10.091 1.115 417 2HA GLY 46 HA1 GLY 46 54.954 9.773 0.781 418 H LEU 47 HN LEU 47 57.081 7.074 1.584 419 HA LEU 47 HA LEU 47 55.583 6.857 4.153 420 1HB LEU 47 HB2 LEU 47 55.617 4.584 3.963 421 2HB LEU 47 HB1 LEU 47 55.920 4.917 2.272 422 HG LEU 47 HG LEU 47 57.951 4.224 4.389 423 1HD1 LEU 47 HD13 LEU 47 56.398 2.536 2.958 424 2HD1 LEU 47 HD12 LEU 47 57.746 2.729 1.840 425 3HD1 LEU 47 HD11 LEU 47 58.035 2.133 3.472 426 1HD2 LEU 47 HD22 LEU 47 58.269 5.593 1.823 427 2HD2 LEU 47 HD21 LEU 47 59.399 5.454 3.162 428 3HD2 LEU 47 HD23 LEU 47 59.278 4.163 1.971 429 H GLU 48 HN GLU 48 57.083 5.636 5.887 430 HA GLU 48 HA GLU 48 59.389 7.447 6.290 431 1HB GLU 48 HB2 GLU 48 59.470 6.342 8.553 432 2HB GLU 48 HB1 GLU 48 57.951 7.167 8.213 433 1HG GLU 48 HG2 GLU 48 57.958 4.376 7.317 434 2HG GLU 48 HG1 GLU 48 58.202 4.537 9.055 435 H LYS 49 HN LYS 49 61.306 6.168 7.471 436 HA LYS 49 HA LYS 49 62.192 4.142 5.527 437 1HB LYS 49 HB2 LYS 49 63.663 6.003 6.509 438 2HB LYS 49 HB1 LYS 49 63.690 5.042 7.988 439 1HG LYS 49 HG2 LYS 49 64.260 3.166 6.023 440 2HG LYS 49 HG1 LYS 49 65.104 4.605 5.451 441 1HD LYS 49 HD2 LYS 49 65.980 4.813 7.880 442 2HD LYS 49 HD1 LYS 49 65.461 3.137 8.061 443 1HE LYS 49 HE2 LYS 49 66.816 2.622 5.966 444 2HE LYS 49 HE1 LYS 49 67.501 4.239 6.118 445 1HZ LYS 49 HZ3 LYS 49 68.022 3.541 8.500 446 2HZ LYS 49 HZ2 LYS 49 67.748 1.951 7.968 447 3HZ LYS 49 HZ1 LYS 49 68.980 2.885 7.264 448 H ASP 50 HN ASP 50 60.359 4.059 8.346 449 HA ASP 50 HA ASP 50 61.517 1.593 9.430 450 1HB ASP 50 HB2 ASP 50 59.625 3.628 10.313 451 2HB ASP 50 HB1 ASP 50 58.999 2.007 10.609 452 H VAL 51 HN VAL 51 58.625 2.547 7.537 453 HA VAL 51 HA VAL 51 57.705 -0.250 7.512 454 HB VAL 51 HB VAL 51 56.026 1.557 7.519 455 1HG1 VAL 51 HG11 VAL 51 57.726 2.581 5.383 456 2HG1 VAL 51 HG13 VAL 51 56.030 2.539 4.908 457 3HG1 VAL 51 HG12 VAL 51 56.520 3.422 6.351 458 1HG2 VAL 51 HG22 VAL 51 55.677 -0.673 6.301 459 2HG2 VAL 51 HG21 VAL 51 54.603 0.647 5.836 460 3HG2 VAL 51 HG23 VAL 51 55.969 0.218 4.807 461 H VAL 52 HN VAL 52 59.636 1.924 5.583 462 HA VAL 52 HA VAL 52 59.535 0.278 3.185 463 HB VAL 52 HB VAL 52 60.278 2.883 3.702 464 1HG1 VAL 52 HG12 VAL 52 62.455 2.188 4.655 465 2HG1 VAL 52 HG11 VAL 52 62.859 1.423 3.118 466 3HG1 VAL 52 HG13 VAL 52 62.632 3.171 3.202 467 1HG2 VAL 52 HG23 VAL 52 59.581 1.694 1.549 468 2HG2 VAL 52 HG22 VAL 52 60.727 3.021 1.378 469 3HG2 VAL 52 HG21 VAL 52 61.295 1.355 1.306 470 NH1 ARG 53 NH1 ARG 53 64.824 -3.231 10.847 471 NH2 ARG 53 NH2 ARG 53 66.235 -1.552 11.396 472 H ARG 53 HN ARG 53 61.638 0.540 6.019 473 HA ARG 53 HA ARG 53 63.619 -1.323 4.955 474 1HB ARG 53 HB2 ARG 53 63.946 0.538 6.735 475 2HB ARG 53 HB1 ARG 53 63.296 -0.643 7.872 476 1HG ARG 53 HG2 ARG 53 65.379 -1.707 6.069 477 2HG ARG 53 HG1 ARG 53 65.945 -0.449 7.166 478 1HD ARG 53 HD2 ARG 53 64.371 -2.885 8.046 479 2HD ARG 53 HD1 ARG 53 66.128 -2.758 8.126 480 HE ARG 53 HE ARG 53 64.799 -0.543 9.460 481 1HH1 ARG 53 HH11 ARG 53 64.171 -3.640 10.209 482 2HH1 ARG 53 HH12 ARG 53 65.047 -3.698 11.703 483 1HH2 ARG 53 HH21 ARG 53 66.663 -0.675 11.178 484 2HH2 ARG 53 HH22 ARG 53 66.458 -2.020 12.251 485 H VAL 54 HN VAL 54 60.767 -1.569 7.047 486 HA VAL 54 HA VAL 54 61.304 -4.262 7.948 487 HB VAL 54 HB VAL 54 58.682 -2.743 7.703 488 1HG1 VAL 54 HG11 VAL 54 59.370 -5.387 9.013 489 2HG1 VAL 54 HG13 VAL 54 57.946 -4.448 9.461 490 3HG1 VAL 54 HG12 VAL 54 58.112 -5.069 7.819 491 1HG2 VAL 54 HG23 VAL 54 60.749 -2.108 9.295 492 2HG2 VAL 54 HG22 VAL 54 59.076 -1.944 9.826 493 3HG2 VAL 54 HG21 VAL 54 60.015 -3.360 10.298 494 CH2 TRP 55 CH2 TRP 55 60.303 -4.212 -2.028 495 H TRP 55 HN TRP 55 59.344 -2.958 5.238 496 HA TRP 55 HA TRP 55 58.540 -5.549 4.294 497 1HB TRP 55 HB2 TRP 55 57.303 -3.691 3.417 498 2HB TRP 55 HB1 TRP 55 58.769 -2.858 2.911 499 HD1 TRP 55 HD1 TRP 55 56.592 -5.925 1.940 500 HE1 TRP 55 HE1 TRP 55 57.141 -6.534 -0.502 501 HE3 TRP 55 HE3 TRP 55 60.427 -2.668 1.005 502 HZ2 TRP 55 HZ2 TRP 55 58.927 -5.776 -2.552 503 HZ3 TRP 55 HZ3 TRP 55 61.545 -2.670 -1.204 504 HH2 TRP 55 HH2 TRP 55 60.789 -4.200 -2.992 505 H PHE 56 HN PHE 56 61.380 -3.481 3.573 506 HA PHE 56 HA PHE 56 62.346 -5.475 1.689 507 1HB PHE 56 HB2 PHE 56 62.825 -2.823 1.800 508 2HB PHE 56 HB1 PHE 56 64.262 -3.418 2.634 509 HD1 PHE 56 HD2 PHE 56 62.260 -4.914 -0.160 510 HD2 PHE 56 HD1 PHE 56 66.056 -3.346 1.077 511 HE1 PHE 56 HE2 PHE 56 63.222 -5.581 -2.320 512 HE2 PHE 56 HE1 PHE 56 67.029 -4.036 -1.102 513 HZ PHE 56 HZ PHE 56 65.587 -5.166 -2.791 514 H CYS 57 HN CYS 57 62.357 -5.408 5.012 515 HA CYS 57 HA CYS 57 65.004 -6.584 5.390 516 1HB CYS 57 HB2 CYS 57 63.198 -5.498 7.138 517 2HB CYS 57 HB1 CYS 57 62.846 -7.214 7.341 518 HG CYS 57 HG CYS 57 64.797 -7.001 8.916 519 H ASN 58 HN ASN 58 61.697 -7.632 4.826 520 HA ASN 58 HA ASN 58 62.392 -10.487 4.927 521 1HB ASN 58 HB2 ASN 58 60.110 -9.511 5.545 522 2HB ASN 58 HB1 ASN 58 59.863 -9.244 3.819 523 1HD2 ASN 58 HD22 ASN 58 59.318 -12.677 3.087 524 2HD2 ASN 58 HD21 ASN 58 59.589 -11.131 2.440 525 NH1 ARG 59 NH1 ARG 59 65.056 -8.225 -2.834 526 NH2 ARG 59 NH2 ARG 59 63.975 -10.076 -3.549 527 H ARG 59 HN ARG 59 61.871 -7.957 2.488 528 HA ARG 59 HA ARG 59 61.936 -9.732 0.215 529 1HB ARG 59 HB2 ARG 59 61.638 -6.908 0.609 530 2HB ARG 59 HB1 ARG 59 62.976 -7.127 -0.510 531 1HG ARG 59 HG2 ARG 59 60.192 -8.272 -0.807 532 2HG ARG 59 HG1 ARG 59 60.887 -6.948 -1.734 533 1HD ARG 59 HD2 ARG 59 62.075 -9.737 -1.704 534 2HD ARG 59 HD1 ARG 59 60.923 -9.186 -2.915 535 HE ARG 59 HE ARG 59 62.670 -7.342 -3.383 536 1HH1 ARG 59 HH11 ARG 59 65.033 -7.280 -2.507 537 2HH1 ARG 59 HH12 ARG 59 65.932 -8.696 -2.939 538 1HH2 ARG 59 HH21 ARG 59 63.123 -10.550 -3.771 539 2HH2 ARG 59 HH22 ARG 59 64.851 -10.548 -3.655 540 NH1 ARG 60 NH2 ARG 60 69.258 -4.956 4.787 541 NH2 ARG 60 NH1 ARG 60 70.575 -3.944 3.254 542 H ARG 60 HN ARG 60 64.379 -8.402 2.308 543 HA ARG 60 HA ARG 60 66.572 -8.958 0.419 544 1HB ARG 60 HB2 ARG 60 66.320 -7.800 3.170 545 2HB ARG 60 HB1 ARG 60 67.870 -8.498 2.701 546 1HG ARG 60 HG2 ARG 60 68.123 -6.992 0.883 547 2HG ARG 60 HG1 ARG 60 66.427 -6.510 0.945 548 1HD ARG 60 HD2 ARG 60 67.239 -4.730 2.120 549 2HD ARG 60 HD1 ARG 60 67.219 -5.862 3.471 550 HE ARG 60 HE ARG 60 69.698 -6.029 1.979 551 1HH1 ARG 60 HH21 ARG 60 68.551 -5.625 5.013 552 2HH1 ARG 60 HH22 ARG 60 69.665 -4.394 5.507 553 1HH2 ARG 60 HH11 ARG 60 70.876 -3.837 2.306 554 2HH2 ARG 60 HH12 ARG 60 70.982 -3.382 3.974 555 H GLN 61 HN GLN 61 64.952 -10.426 3.168 556 HA GLN 61 HA GLN 61 66.839 -12.741 3.011 557 1HB GLN 61 HB2 GLN 61 64.995 -12.016 5.307 558 2HB GLN 61 HB1 GLN 61 66.273 -13.230 5.313 559 1HG GLN 61 HG2 GLN 61 66.730 -10.262 4.891 560 2HG GLN 61 HG1 GLN 61 66.956 -11.098 6.427 561 1HE2 GLN 61 HE22 GLN 61 69.725 -13.093 4.962 562 2HE2 GLN 61 HE21 GLN 61 68.259 -13.425 5.750 563 H LYS 62 HN LYS 62 65.108 -12.925 1.033 564 HA LYS 62 HA LYS 62 62.557 -14.119 1.803 565 1HB LYS 62 HB2 LYS 62 64.030 -13.723 -0.794 566 2HB LYS 62 HB1 LYS 62 62.611 -14.767 -0.726 567 1HG LYS 62 HG2 LYS 62 61.569 -12.688 0.561 568 2HG LYS 62 HG1 LYS 62 62.808 -11.808 -0.335 569 1HD LYS 62 HD2 LYS 62 60.854 -11.805 -1.722 570 2HD LYS 62 HD1 LYS 62 61.959 -12.985 -2.428 571 1HE LYS 62 HE2 LYS 62 60.679 -14.796 -1.755 572 2HE LYS 62 HE1 LYS 62 59.991 -13.931 -0.381 573 1HZ LYS 62 HZ2 LYS 62 59.376 -13.326 -3.221 574 2HZ LYS 62 HZ1 LYS 62 58.402 -14.289 -2.216 575 3HZ LYS 62 HZ3 LYS 62 58.633 -12.648 -1.852 576 H GLY 63 HN GLY 63 65.797 -15.263 1.131 577 1HA GLY 63 HA2 GLY 63 65.766 -17.679 2.352 578 2HA GLY 63 HA1 GLY 63 64.934 -18.063 0.843 579 H LYS 64 HN LYS 64 67.756 -16.010 1.641 580 HA LYS 64 HA LYS 64 69.287 -17.521 -0.441 581 1HB LYS 64 HB2 LYS 64 69.391 -14.582 0.295 582 2HB LYS 64 HB1 LYS 64 70.568 -15.370 -0.757 583 1HG LYS 64 HG2 LYS 64 68.483 -16.176 -2.096 584 2HG LYS 64 HG1 LYS 64 67.635 -14.885 -1.243 585 1HD LYS 64 HD2 LYS 64 69.028 -13.203 -2.175 586 2HD LYS 64 HD1 LYS 64 70.231 -14.381 -2.703 587 1HE LYS 64 HE2 LYS 64 68.817 -13.541 -4.583 588 2HE LYS 64 HE1 LYS 64 68.683 -15.285 -4.356 589 1HZ LYS 64 HZ3 LYS 64 66.805 -13.401 -3.067 590 2HZ LYS 64 HZ2 LYS 64 66.543 -13.981 -4.643 591 3HZ LYS 64 HZ1 LYS 64 66.613 -15.064 -3.336 592 NH1 ARG 65 NH2 ARG 65 75.480 -16.580 6.921 593 NH2 ARG 65 NH1 ARG 65 76.269 -15.539 5.075 594 H ARG 65 HN ARG 65 69.107 -18.082 2.441 595 HA ARG 65 HA ARG 65 72.009 -17.850 3.065 596 1HB ARG 65 HB2 ARG 65 69.781 -16.632 4.539 597 2HB ARG 65 HB1 ARG 65 70.784 -17.658 5.560 598 1HG ARG 65 HG2 ARG 65 72.267 -15.877 3.713 599 2HG ARG 65 HG1 ARG 65 71.374 -15.062 4.997 600 1HD ARG 65 HD2 ARG 65 72.513 -16.324 6.700 601 2HD ARG 65 HD1 ARG 65 73.243 -17.390 5.500 602 HE ARG 65 HE ARG 65 73.918 -14.525 5.271 603 1HH1 ARG 65 HH21 ARG 65 74.716 -16.822 7.519 604 2HH1 ARG 65 HH22 ARG 65 76.404 -16.895 7.139 605 1HH2 ARG 65 HH11 ARG 65 76.109 -14.983 4.259 606 2HH2 ARG 65 HH12 ARG 65 77.193 -15.852 5.293 607 H SER 66 HN SER 66 70.885 -20.102 1.983 608 HA SER 66 HA SER 66 70.485 -21.936 4.310 609 1HB SER 66 HB2 SER 66 69.518 -21.993 1.464 610 2HB SER 66 HB1 SER 66 69.669 -23.497 2.371 611 HG SER 66 HG SER 66 67.614 -22.640 2.677 612 H SER 67 HN SER 67 72.388 -21.309 1.423 613 HA SER 67 HA SER 67 74.453 -23.167 2.401 614 1HB SER 67 HB2 SER 67 72.724 -24.347 0.779 615 2HB SER 67 HB1 SER 67 73.645 -23.508 -0.467 616 HG SER 67 HG SER 67 75.512 -24.510 0.321 Start of MODEL 20 Raw file had 616 H/Q atoms Start of MODEL 20 1 1H MET 1 HT2 MET 1 70.799 15.806 -0.467 2 2H MET 1 HT1 MET 1 72.243 16.524 -1.000 3 3H MET 1 HT3 MET 1 71.113 15.956 -2.130 4 HA MET 1 HA MET 1 72.678 14.279 -2.146 5 1HB MET 1 HB2 MET 1 72.813 14.736 0.849 6 2HB MET 1 HB1 MET 1 73.636 13.410 0.025 7 1HG MET 1 HG2 MET 1 74.543 15.359 -1.520 8 2HG MET 1 HG1 MET 1 74.182 16.353 -0.108 9 1HE MET 1 HE2 MET 1 74.753 15.350 2.352 10 2HE MET 1 HE1 MET 1 76.497 15.368 2.598 11 3HE MET 1 HE3 MET 1 75.705 16.706 1.753 12 H GLU 2 HN GLU 2 71.111 12.858 -2.861 13 HA GLU 2 HA GLU 2 69.748 11.236 -0.784 14 1HB GLU 2 HB2 GLU 2 67.602 11.369 -2.060 15 2HB GLU 2 HB1 GLU 2 68.083 12.917 -1.366 16 1HG GLU 2 HG2 GLU 2 69.321 13.094 -3.768 17 2HG GLU 2 HG1 GLU 2 67.952 12.075 -4.213 18 H THR 3 HN THR 3 71.978 10.601 -2.468 19 HA THR 3 HA THR 3 70.776 8.729 -4.455 20 HB THR 3 HB THR 3 73.417 8.587 -4.981 21 HG1 THR 3 HG1 THR 3 73.930 10.073 -3.339 22 1HG2 THR 3 HG22 THR 3 71.346 9.384 -6.367 23 2HG2 THR 3 HG21 THR 3 71.915 11.001 -5.953 24 3HG2 THR 3 HG23 THR 3 72.958 9.904 -6.858 25 H LEU 4 HN LEU 4 72.284 6.664 -4.661 26 HA LEU 4 HA LEU 4 73.181 5.736 -1.983 27 1HB LEU 4 HB2 LEU 4 71.022 4.481 -3.682 28 2HB LEU 4 HB1 LEU 4 71.938 3.535 -2.507 29 HG LEU 4 HG LEU 4 70.588 6.125 -1.743 30 1HD1 LEU 4 HD13 LEU 4 69.443 3.316 -1.693 31 2HD1 LEU 4 HD12 LEU 4 68.722 4.706 -0.881 32 3HD1 LEU 4 HD11 LEU 4 68.840 4.676 -2.640 33 1HD2 LEU 4 HD22 LEU 4 72.419 4.756 -0.386 34 2HD2 LEU 4 HD21 LEU 4 71.036 5.472 0.441 35 3HD2 LEU 4 HD23 LEU 4 71.030 3.755 0.039 36 H VAL 5 HN VAL 5 73.996 3.284 -2.395 37 HA VAL 5 HA VAL 5 75.379 3.101 -5.015 38 HB VAL 5 HB VAL 5 76.824 2.917 -2.354 39 1HG1 VAL 5 HG11 VAL 5 77.716 1.459 -4.168 40 2HG1 VAL 5 HG13 VAL 5 77.870 2.879 -5.204 41 3HG1 VAL 5 HG12 VAL 5 78.840 2.748 -3.737 42 1HG2 VAL 5 HG21 VAL 5 76.582 5.098 -4.422 43 2HG2 VAL 5 HG23 VAL 5 76.442 5.221 -2.668 44 3HG2 VAL 5 HG22 VAL 5 78.022 4.973 -3.411 45 H GLN 6 HN GLN 6 74.847 1.572 -1.846 46 HA GLN 6 HA GLN 6 74.522 -1.031 -3.273 47 1HB GLN 6 HB2 GLN 6 76.074 -0.461 -0.739 48 2HB GLN 6 HB1 GLN 6 75.534 -2.084 -1.172 49 1HG GLN 6 HG2 GLN 6 77.192 -0.335 -3.006 50 2HG GLN 6 HG1 GLN 6 77.886 -1.537 -1.918 51 1HE2 GLN 6 HE22 GLN 6 76.492 -4.321 -3.784 52 2HE2 GLN 6 HE21 GLN 6 76.815 -3.837 -2.189 53 H ALA 7 HN ALA 7 73.433 -2.651 -1.632 54 HA ALA 7 HA ALA 7 70.872 -1.591 -0.948 55 1HB ALA 7 HB1 ALA 7 71.529 -4.033 -1.460 56 2HB ALA 7 HB3 ALA 7 72.033 -4.119 0.228 57 3HB ALA 7 HB2 ALA 7 70.351 -3.772 -0.174 58 NH1 ARG 8 NH1 ARG 8 69.351 2.309 7.679 59 NH2 ARG 8 NH2 ARG 8 69.698 4.026 6.253 60 H ARG 8 HN ARG 8 70.369 -2.696 1.622 61 HA ARG 8 HA ARG 8 72.223 -1.329 3.454 62 1HB ARG 8 HB2 ARG 8 69.970 -0.003 2.577 63 2HB ARG 8 HB1 ARG 8 69.399 -0.755 4.066 64 1HG ARG 8 HG2 ARG 8 71.106 0.301 5.367 65 2HG ARG 8 HG1 ARG 8 71.986 0.807 3.924 66 1HD ARG 8 HD2 ARG 8 70.890 2.783 4.411 67 2HD ARG 8 HD1 ARG 8 69.676 2.022 3.381 68 HE ARG 8 HE ARG 8 68.460 1.373 5.429 69 1HH1 ARG 8 HH11 ARG 8 69.144 1.344 7.839 70 2HH1 ARG 8 HH12 ARG 8 69.496 2.924 8.454 71 1HH2 ARG 8 HH21 ARG 8 69.758 4.378 5.319 72 2HH2 ARG 8 HH22 ARG 8 69.843 4.640 7.028 73 H LYS 9 HN LYS 9 70.509 -1.562 5.739 74 HA LYS 9 HA LYS 9 70.809 -4.409 6.248 75 1HB LYS 9 HB2 LYS 9 70.176 -1.984 7.845 76 2HB LYS 9 HB1 LYS 9 69.553 -3.515 8.461 77 1HG LYS 9 HG2 LYS 9 71.854 -4.479 8.258 78 2HG LYS 9 HG1 LYS 9 72.442 -2.882 7.792 79 1HD LYS 9 HD2 LYS 9 70.973 -3.453 10.381 80 2HD LYS 9 HD1 LYS 9 72.730 -3.385 10.240 81 1HE LYS 9 HE2 LYS 9 70.813 -1.133 9.565 82 2HE LYS 9 HE1 LYS 9 71.840 -1.217 10.996 83 1HZ LYS 9 HZ1 LYS 9 73.736 -1.470 9.326 84 2HZ LYS 9 HZ3 LYS 9 72.636 -0.888 8.173 85 3HZ LYS 9 HZ2 LYS 9 73.047 0.072 9.513 86 NH1 ARG 10 NH2 ARG 10 67.473 -10.394 3.082 87 NH2 ARG 10 NH1 ARG 10 67.595 -10.104 0.843 88 H ARG 10 HN ARG 10 69.259 -5.416 4.879 89 HA ARG 10 HA ARG 10 66.419 -4.778 5.430 90 1HB ARG 10 HB2 ARG 10 65.966 -6.068 3.333 91 2HB ARG 10 HB1 ARG 10 66.995 -4.660 3.066 92 1HG ARG 10 HG2 ARG 10 68.886 -5.938 2.686 93 2HG ARG 10 HG1 ARG 10 68.321 -7.264 3.704 94 1HD ARG 10 HD2 ARG 10 66.844 -6.602 1.173 95 2HD ARG 10 HD1 ARG 10 68.323 -7.560 1.096 96 HE ARG 10 HE ARG 10 65.834 -8.377 2.524 97 1HH1 ARG 10 HH21 ARG 10 67.222 -10.051 3.987 98 2HH1 ARG 10 HH22 ARG 10 67.880 -11.302 2.987 99 1HH2 ARG 10 HH11 ARG 10 67.437 -9.540 0.033 100 2HH2 ARG 10 HH12 ARG 10 68.004 -11.012 0.748 101 H LYS 11 HN LYS 11 67.644 -6.161 7.446 102 HA LYS 11 HA LYS 11 67.389 -9.032 7.077 103 1HB LYS 11 HB2 LYS 11 67.842 -9.115 9.531 104 2HB LYS 11 HB1 LYS 11 69.044 -8.175 8.649 105 1HG LYS 11 HG2 LYS 11 66.962 -6.367 9.338 106 2HG LYS 11 HG1 LYS 11 67.295 -7.320 10.782 107 1HD LYS 11 HD2 LYS 11 69.481 -6.019 9.141 108 2HD LYS 11 HD1 LYS 11 68.706 -5.217 10.506 109 1HE LYS 11 HE2 LYS 11 69.314 -7.647 11.605 110 2HE LYS 11 HE1 LYS 11 70.659 -7.434 10.485 111 1HZ LYS 11 HZ3 LYS 11 71.002 -5.211 11.443 112 2HZ LYS 11 HZ2 LYS 11 69.781 -5.524 12.582 113 3HZ LYS 11 HZ1 LYS 11 71.207 -6.448 12.584 114 NH1 ARG 12 NH2 ARG 12 63.426 -15.687 11.777 115 NH2 ARG 12 NH1 ARG 12 65.143 -15.027 13.090 116 H ARG 12 HN ARG 12 66.067 -9.958 9.285 117 HA ARG 12 HA ARG 12 63.290 -8.961 8.821 118 1HB ARG 12 HB2 ARG 12 62.588 -11.231 9.607 119 2HB ARG 12 HB1 ARG 12 63.572 -11.278 8.145 120 1HG ARG 12 HG2 ARG 12 65.393 -12.190 9.231 121 2HG ARG 12 HG1 ARG 12 64.984 -11.436 10.772 122 1HD ARG 12 HD2 ARG 12 63.101 -12.997 11.050 123 2HD ARG 12 HD1 ARG 12 63.484 -13.744 9.499 124 HE ARG 12 HE ARG 12 65.828 -14.097 10.777 125 1HH1 ARG 12 HH21 ARG 12 62.920 -15.625 10.917 126 2HH1 ARG 12 HH22 ARG 12 63.120 -16.315 12.492 127 1HH2 ARG 12 HH11 ARG 12 65.952 -14.458 13.237 128 2HH2 ARG 12 HH12 ARG 12 64.838 -15.655 13.806 129 H THR 13 HN THR 13 64.811 -7.520 10.649 130 HA THR 13 HA THR 13 64.320 -8.516 13.364 131 HB THR 13 HB THR 13 64.867 -5.924 13.790 132 HG1 THR 13 HG1 THR 13 65.031 -5.116 11.822 133 1HG2 THR 13 HG21 THR 13 66.628 -8.256 13.153 134 2HG2 THR 13 HG23 THR 13 67.376 -6.683 13.427 135 3HG2 THR 13 HG22 THR 13 66.388 -7.422 14.688 136 H SER 14 HN SER 14 62.906 -6.232 11.104 137 HA SER 14 HA SER 14 60.345 -6.383 12.538 138 1HB SER 14 HB2 SER 14 60.107 -3.869 12.487 139 2HB SER 14 HB1 SER 14 61.320 -4.446 13.626 140 HG SER 14 HG SER 14 61.593 -2.928 11.370 141 H ILE 15 HN ILE 15 61.502 -7.234 9.979 142 HA ILE 15 HA ILE 15 59.374 -6.249 8.205 143 HB ILE 15 HB ILE 15 62.321 -5.844 7.569 144 1HG1 ILE 15 HG12 ILE 15 61.255 -4.014 8.859 145 2HG1 ILE 15 HG11 ILE 15 61.660 -3.498 7.227 146 1HG2 ILE 15 HG23 ILE 15 59.905 -6.016 5.799 147 2HG2 ILE 15 HG22 ILE 15 61.163 -4.848 5.392 148 3HG2 ILE 15 HG21 ILE 15 61.554 -6.565 5.496 149 1HD1 ILE 15 HD11 ILE 15 59.037 -4.608 7.115 150 2HD1 ILE 15 HD13 ILE 15 59.082 -3.508 8.492 151 3HD1 ILE 15 HD12 ILE 15 59.513 -2.927 6.886 152 H GLU 16 HN GLU 16 58.795 -8.538 8.474 153 HA GLU 16 HA GLU 16 60.513 -10.707 7.808 154 1HB GLU 16 HB2 GLU 16 57.588 -10.285 8.072 155 2HB GLU 16 HB1 GLU 16 58.066 -11.621 7.023 156 1HG GLU 16 HG2 GLU 16 59.453 -12.561 8.820 157 2HG GLU 16 HG1 GLU 16 59.028 -11.209 9.871 158 H ASN 17 HN ASN 17 60.873 -11.702 5.769 159 HA ASN 17 HA ASN 17 61.027 -9.989 3.526 160 1HB ASN 17 HB2 ASN 17 61.117 -12.988 3.819 161 2HB ASN 17 HB1 ASN 17 61.190 -12.245 2.221 162 1HD2 ASN 17 HD22 ASN 17 64.492 -12.278 4.516 163 2HD2 ASN 17 HD21 ASN 17 63.092 -13.155 4.906 164 NH1 ARG 18 NH2 ARG 18 57.012 -15.951 6.260 165 NH2 ARG 18 NH1 ARG 18 55.341 -17.402 5.805 166 H ARG 18 HN ARG 18 58.318 -11.796 4.712 167 HA ARG 18 HA ARG 18 56.876 -11.570 2.147 168 1HB ARG 18 HB2 ARG 18 56.034 -12.606 4.876 169 2HB ARG 18 HB1 ARG 18 54.992 -12.605 3.452 170 1HG ARG 18 HG2 ARG 18 56.902 -13.895 2.286 171 2HG ARG 18 HG1 ARG 18 57.534 -14.165 3.910 172 1HD ARG 18 HD2 ARG 18 54.857 -14.803 4.197 173 2HD ARG 18 HD1 ARG 18 55.227 -15.398 2.578 174 HE ARG 18 HE ARG 18 56.914 -16.860 3.557 175 1HH1 ARG 18 HH21 ARG 18 57.699 -15.295 5.946 176 2HH1 ARG 18 HH22 ARG 18 56.920 -16.151 7.235 177 1HH2 ARG 18 HH11 ARG 18 54.748 -17.859 5.142 178 2HH2 ARG 18 HH12 ARG 18 55.247 -17.601 6.780 179 H VAL 19 HN VAL 19 57.091 -9.978 5.271 180 HA VAL 19 HA VAL 19 54.689 -8.439 5.004 181 HB VAL 19 HB VAL 19 56.419 -8.811 7.063 182 1HG1 VAL 19 HG11 VAL 19 58.153 -7.307 6.100 183 2HG1 VAL 19 HG13 VAL 19 56.986 -5.985 6.114 184 3HG1 VAL 19 HG12 VAL 19 57.524 -6.701 7.633 185 1HG2 VAL 19 HG22 VAL 19 54.012 -7.839 6.862 186 2HG2 VAL 19 HG21 VAL 19 54.983 -7.375 8.259 187 3HG2 VAL 19 HG23 VAL 19 54.812 -6.269 6.896 188 NH1 ARG 20 NH2 ARG 20 63.895 -3.053 2.696 189 NH2 ARG 20 NH1 ARG 20 63.570 -2.797 0.474 190 H ARG 20 HN ARG 20 58.061 -7.800 4.081 191 HA ARG 20 HA ARG 20 57.554 -5.123 3.166 192 1HB ARG 20 HB2 ARG 20 59.821 -6.568 3.548 193 2HB ARG 20 HB1 ARG 20 59.677 -6.664 1.792 194 1HG ARG 20 HG2 ARG 20 59.333 -4.139 1.806 195 2HG ARG 20 HG1 ARG 20 59.828 -4.171 3.499 196 1HD ARG 20 HD2 ARG 20 61.984 -5.103 2.917 197 2HD ARG 20 HD1 ARG 20 61.489 -5.307 1.235 198 HE ARG 20 HE ARG 20 61.171 -2.585 1.738 199 1HH1 ARG 20 HH21 ARG 20 63.531 -3.249 3.607 200 2HH1 ARG 20 HH22 ARG 20 64.868 -2.859 2.577 201 1HH2 ARG 20 HH11 ARG 20 62.958 -2.797 -0.318 202 2HH2 ARG 20 HH12 ARG 20 64.543 -2.602 0.353 203 CH2 TRP 21 CH2 TRP 21 60.708 -4.741 -2.772 204 H TRP 21 HN TRP 21 57.865 -8.172 1.297 205 HA TRP 21 HA TRP 21 56.913 -6.730 -1.040 206 1HB TRP 21 HB2 TRP 21 58.002 -9.397 -0.543 207 2HB TRP 21 HB1 TRP 21 56.645 -9.431 -1.675 208 HD1 TRP 21 HD1 TRP 21 58.058 -9.682 -3.904 209 HE1 TRP 21 HE1 TRP 21 59.628 -8.073 -5.180 210 HE3 TRP 21 HE3 TRP 21 58.810 -6.114 -0.334 211 HZ2 TRP 21 HZ2 TRP 21 61.007 -5.575 -4.719 212 HZ3 TRP 21 HZ3 TRP 21 60.218 -4.155 -0.756 213 HH2 TRP 21 HH2 TRP 21 61.320 -3.871 -2.964 214 H SER 22 HN SER 22 55.333 -7.794 1.695 215 HA SER 22 HA SER 22 52.801 -8.516 0.442 216 1HB SER 22 HB2 SER 22 53.016 -9.336 2.683 217 2HB SER 22 HB1 SER 22 53.652 -7.798 3.262 218 HG SER 22 HG SER 22 51.473 -8.015 3.834 219 H LEU 23 HN LEU 23 54.453 -5.721 1.849 220 HA LEU 23 HA LEU 23 52.443 -3.718 1.587 221 1HB LEU 23 HB2 LEU 23 55.436 -3.494 1.061 222 2HB LEU 23 HB1 LEU 23 54.368 -2.138 1.317 223 HG LEU 23 HG LEU 23 54.444 -4.225 3.446 224 1HD1 LEU 23 HD13 LEU 23 56.842 -3.400 2.480 225 2HD1 LEU 23 HD12 LEU 23 56.502 -2.070 3.586 226 3HD1 LEU 23 HD11 LEU 23 56.566 -3.725 4.192 227 1HD2 LEU 23 HD23 LEU 23 53.069 -1.992 3.350 228 2HD2 LEU 23 HD22 LEU 23 53.906 -2.399 4.847 229 3HD2 LEU 23 HD21 LEU 23 54.609 -1.224 3.736 230 H GLU 24 HN GLU 24 54.877 -4.970 -0.640 231 HA GLU 24 HA GLU 24 54.252 -3.387 -2.923 232 1HB GLU 24 HB2 GLU 24 56.269 -4.867 -2.639 233 2HB GLU 24 HB1 GLU 24 55.221 -6.257 -2.909 234 1HG GLU 24 HG2 GLU 24 54.628 -4.517 -5.028 235 2HG GLU 24 HG1 GLU 24 56.379 -4.413 -4.850 236 H THR 25 HN THR 25 52.817 -6.404 -1.751 237 HA THR 25 HA THR 25 51.253 -6.942 -4.098 238 HB THR 25 HB THR 25 50.525 -7.703 -1.261 239 HG1 THR 25 HG1 THR 25 52.048 -9.186 -1.323 240 1HG2 THR 25 HG21 THR 25 48.894 -8.157 -3.112 241 2HG2 THR 25 HG23 THR 25 50.127 -9.145 -3.895 242 3HG2 THR 25 HG22 THR 25 49.485 -9.619 -2.322 243 H MET 26 HN MET 26 50.807 -4.812 -1.354 244 HA MET 26 HA MET 26 47.964 -4.365 -2.004 245 1HB MET 26 HB2 MET 26 49.782 -3.154 0.092 246 2HB MET 26 HB1 MET 26 48.063 -2.787 -0.069 247 1HG MET 26 HG2 MET 26 47.477 -5.114 0.327 248 2HG MET 26 HG1 MET 26 49.179 -5.579 0.335 249 1HE MET 26 HE3 MET 26 46.184 -4.515 2.150 250 2HE MET 26 HE2 MET 26 46.682 -3.599 3.570 251 3HE MET 26 HE1 MET 26 46.788 -2.862 1.973 252 H PHE 27 HN PHE 27 51.046 -2.764 -2.632 253 HA PHE 27 HA PHE 27 49.669 -0.268 -3.406 254 1HB PHE 27 HB2 PHE 27 52.584 -1.057 -3.263 255 2HB PHE 27 HB1 PHE 27 52.057 0.411 -4.076 256 HD1 PHE 27 HD2 PHE 27 50.525 2.032 -2.779 257 HD2 PHE 27 HD1 PHE 27 52.802 -1.090 -0.911 258 HE1 PHE 27 HE2 PHE 27 50.308 3.179 -0.590 259 HE2 PHE 27 HE1 PHE 27 52.581 0.050 1.274 260 HZ PHE 27 HZ PHE 27 51.335 2.184 1.435 261 H LEU 28 HN LEU 28 50.888 -3.129 -4.964 262 HA LEU 28 HA LEU 28 51.113 -1.905 -7.595 263 1HB LEU 28 HB2 LEU 28 50.997 -4.807 -6.732 264 2HB LEU 28 HB1 LEU 28 51.282 -4.276 -8.391 265 HG LEU 28 HG LEU 28 52.986 -3.489 -6.007 266 1HD1 LEU 28 HD12 LEU 28 53.433 -5.500 -8.227 267 2HD1 LEU 28 HD11 LEU 28 54.695 -4.942 -7.129 268 3HD1 LEU 28 HD13 LEU 28 53.313 -5.838 -6.500 269 1HD2 LEU 28 HD23 LEU 28 52.872 -2.678 -8.864 270 2HD2 LEU 28 HD22 LEU 28 53.443 -1.779 -7.459 271 3HD2 LEU 28 HD21 LEU 28 54.482 -2.987 -8.212 272 H LYS 29 HN LYS 29 48.496 -3.120 -5.699 273 HA LYS 29 HA LYS 29 46.750 -3.355 -8.098 274 1HB LYS 29 HB2 LYS 29 46.276 -5.184 -6.698 275 2HB LYS 29 HB1 LYS 29 46.550 -4.257 -5.228 276 1HG LYS 29 HG2 LYS 29 44.397 -3.427 -5.181 277 2HG LYS 29 HG1 LYS 29 44.268 -3.367 -6.940 278 1HD LYS 29 HD2 LYS 29 42.801 -5.126 -6.316 279 2HD LYS 29 HD1 LYS 29 44.266 -5.954 -6.843 280 1HE LYS 29 HE2 LYS 29 44.610 -5.375 -4.081 281 2HE LYS 29 HE1 LYS 29 42.987 -6.040 -4.266 282 1HZ LYS 29 HZ3 LYS 29 45.406 -7.278 -5.451 283 2HZ LYS 29 HZ2 LYS 29 44.775 -7.719 -3.936 284 3HZ LYS 29 HZ1 LYS 29 43.852 -7.947 -5.344 285 H CYS 30 HN CYS 30 47.326 -1.469 -5.185 286 HA CYS 30 HA CYS 30 45.115 0.354 -5.995 287 1HB CYS 30 HB2 CYS 30 45.777 -0.803 -3.499 288 2HB CYS 30 HB1 CYS 30 46.183 0.905 -3.356 289 HG CYS 30 HG CYS 30 43.696 1.475 -4.041 290 HA PRO 31 HA PRO 31 48.768 3.000 -6.731 291 1HB PRO 31 HB2 PRO 31 47.770 4.210 -8.976 292 2HB PRO 31 HB1 PRO 31 48.637 2.664 -9.031 293 1HG PRO 31 HG2 PRO 31 45.727 3.194 -9.350 294 2HG PRO 31 HG1 PRO 31 46.691 1.835 -9.949 295 1HD PRO 31 HD2 PRO 31 44.986 1.837 -7.663 296 2HD PRO 31 HD1 PRO 31 46.117 0.556 -8.144 297 H LYS 32 HN LYS 32 45.712 3.347 -5.575 298 HA LYS 32 HA LYS 32 45.768 6.301 -5.593 299 1HB LYS 32 HB2 LYS 32 43.258 6.010 -5.114 300 2HB LYS 32 HB1 LYS 32 43.807 5.596 -6.736 301 1HG LYS 32 HG2 LYS 32 43.402 3.338 -6.447 302 2HG LYS 32 HG1 LYS 32 43.855 3.369 -4.744 303 1HD LYS 32 HD2 LYS 32 41.697 3.545 -4.121 304 2HD LYS 32 HD1 LYS 32 41.480 4.977 -5.125 305 1HE LYS 32 HE2 LYS 32 40.477 3.801 -6.789 306 2HE LYS 32 HE1 LYS 32 41.606 2.455 -6.648 307 1HZ LYS 32 HZ2 LYS 32 40.347 2.047 -4.436 308 2HZ LYS 32 HZ1 LYS 32 39.113 2.951 -5.175 309 3HZ LYS 32 HZ3 LYS 32 39.666 1.522 -5.902 310 HA PRO 33 HA PRO 33 45.738 4.580 -1.127 311 1HB PRO 33 HB2 PRO 33 48.367 4.846 -0.401 312 2HB PRO 33 HB1 PRO 33 47.687 3.345 -1.057 313 1HG PRO 33 HG2 PRO 33 49.425 5.370 -2.403 314 2HG PRO 33 HG1 PRO 33 49.306 3.625 -2.686 315 1HD PRO 33 HD2 PRO 33 48.129 5.595 -4.303 316 2HD PRO 33 HD1 PRO 33 47.681 3.876 -4.255 317 H SER 34 HN SER 34 45.557 6.061 0.577 318 HA SER 34 HA SER 34 46.169 8.881 -0.019 319 1HB SER 34 HB2 SER 34 44.682 7.606 2.283 320 2HB SER 34 HB1 SER 34 44.851 9.340 2.025 321 HG SER 34 HG SER 34 43.259 9.205 0.673 322 H LEU 35 HN LEU 35 47.522 10.160 1.377 323 HA LEU 35 HA LEU 35 49.780 8.776 2.464 324 1HB LEU 35 HB2 LEU 35 50.567 10.887 3.234 325 2HB LEU 35 HB1 LEU 35 49.664 11.253 1.770 326 HG LEU 35 HG LEU 35 48.417 11.416 4.522 327 1HD1 LEU 35 HD13 LEU 35 50.396 12.932 4.348 328 2HD1 LEU 35 HD12 LEU 35 49.668 13.666 2.919 329 3HD1 LEU 35 HD11 LEU 35 48.873 13.810 4.487 330 1HD2 LEU 35 HD23 LEU 35 47.686 12.252 1.725 331 2HD2 LEU 35 HD22 LEU 35 46.694 11.433 2.932 332 3HD2 LEU 35 HD21 LEU 35 47.042 13.154 3.096 333 H GLN 36 HN GLN 36 46.607 9.450 3.697 334 HA GLN 36 HA GLN 36 47.223 9.112 6.525 335 1HB GLN 36 HB2 GLN 36 44.993 9.935 5.155 336 2HB GLN 36 HB1 GLN 36 44.545 8.276 5.553 337 1HG GLN 36 HG2 GLN 36 43.813 9.448 7.444 338 2HG GLN 36 HG1 GLN 36 45.410 8.893 7.947 339 1HE2 GLN 36 HE22 GLN 36 44.825 12.884 7.185 340 2HE2 GLN 36 HE21 GLN 36 43.702 11.750 6.606 341 H GLN 37 HN GLN 37 46.173 7.060 3.854 342 HA GLN 37 HA GLN 37 46.022 4.605 5.331 343 1HB GLN 37 HB2 GLN 37 45.090 4.979 3.011 344 2HB GLN 37 HB1 GLN 37 46.745 4.936 2.403 345 1HG GLN 37 HG2 GLN 37 47.013 2.676 2.886 346 2HG GLN 37 HG1 GLN 37 45.784 2.696 4.150 347 1HE2 GLN 37 HE22 GLN 37 44.158 0.970 1.334 348 2HE2 GLN 37 HE21 GLN 37 45.370 0.649 2.479 349 H ILE 38 HN ILE 38 48.684 6.527 4.108 350 HA ILE 38 HA ILE 38 50.632 4.391 4.152 351 HB ILE 38 HB ILE 38 50.780 7.401 3.944 352 1HG1 ILE 38 HG12 ILE 38 50.414 6.035 1.924 353 2HG1 ILE 38 HG11 ILE 38 51.998 6.805 1.863 354 1HG2 ILE 38 HG23 ILE 38 52.947 5.605 4.946 355 2HG2 ILE 38 HG22 ILE 38 53.410 6.734 3.674 356 3HG2 ILE 38 HG21 ILE 38 52.727 7.340 5.182 357 1HD1 ILE 38 HD11 ILE 38 52.852 4.575 2.953 358 2HD1 ILE 38 HD13 ILE 38 51.327 3.909 2.372 359 3HD1 ILE 38 HD12 ILE 38 52.483 4.585 1.229 360 H THR 39 HN THR 39 49.378 6.739 6.427 361 HA THR 39 HA THR 39 51.259 6.250 8.550 362 HB THR 39 HB THR 39 48.344 7.083 8.758 363 HG1 THR 39 HG1 THR 39 49.161 8.722 7.702 364 1HG2 THR 39 HG21 THR 39 50.682 7.417 10.658 365 2HG2 THR 39 HG23 THR 39 49.064 8.075 10.903 366 3HG2 THR 39 HG22 THR 39 49.313 6.329 10.887 367 H HIS 40 HN HIS 40 48.164 4.806 7.629 368 HA HIS 40 HA HIS 40 48.158 2.863 9.806 369 1HB HIS 40 HB2 HIS 40 46.463 3.489 7.454 370 2HB HIS 40 HB1 HIS 40 46.473 1.797 7.951 371 HD1 HIS 40 HD1 HIS 40 46.949 4.458 10.537 372 HD2 HIS 40 HD2 HIS 40 43.852 2.064 9.100 373 HE1 HIS 40 HE1 HIS 40 45.047 4.672 12.198 374 H ILE 41 HN ILE 41 49.744 3.103 6.760 375 HA ILE 41 HA ILE 41 50.068 0.270 6.244 376 HB ILE 41 HB ILE 41 50.742 2.762 5.010 377 1HG1 ILE 41 HG12 ILE 41 51.447 0.980 3.138 378 2HG1 ILE 41 HG11 ILE 41 50.606 -0.106 4.245 379 1HG2 ILE 41 HG23 ILE 41 53.025 2.535 5.891 380 2HG2 ILE 41 HG22 ILE 41 53.137 0.924 5.181 381 3HG2 ILE 41 HG21 ILE 41 52.997 2.339 4.138 382 1HD1 ILE 41 HD11 ILE 41 49.408 2.504 3.291 383 2HD1 ILE 41 HD13 ILE 41 49.152 0.974 2.453 384 3HD1 ILE 41 HD12 ILE 41 48.586 1.177 4.111 385 H ALA 42 HN ALA 42 51.878 2.809 7.866 386 HA ALA 42 HA ALA 42 54.144 1.267 8.597 387 1HB ALA 42 HB3 ALA 42 53.482 3.894 8.775 388 2HB ALA 42 HB2 ALA 42 53.271 3.397 10.454 389 3HB ALA 42 HB1 ALA 42 54.829 3.176 9.657 390 H ASN 43 HN ASN 43 51.252 2.148 10.468 391 HA ASN 43 HA ASN 43 51.826 0.467 12.709 392 1HB ASN 43 HB2 ASN 43 49.570 2.031 11.710 393 2HB ASN 43 HB1 ASN 43 49.030 0.519 12.438 394 1HD2 ASN 43 HD22 ASN 43 50.677 1.423 15.634 395 2HD2 ASN 43 HD21 ASN 43 50.735 0.119 14.549 396 H GLN 44 HN GLN 44 50.760 -0.182 9.473 397 HA GLN 44 HA GLN 44 49.470 -2.691 9.882 398 1HB GLN 44 HB2 GLN 44 50.052 -0.993 7.730 399 2HB GLN 44 HB1 GLN 44 50.848 -2.511 7.343 400 1HG GLN 44 HG2 GLN 44 47.949 -2.280 8.199 401 2HG GLN 44 HG1 GLN 44 48.477 -2.369 6.518 402 1HE2 GLN 44 HE22 GLN 44 49.325 -5.840 6.692 403 2HE2 GLN 44 HE21 GLN 44 49.602 -4.399 5.839 404 H LEU 45 HN LEU 45 52.844 -1.812 9.196 405 HA LEU 45 HA LEU 45 53.556 -4.627 9.903 406 1HB LEU 45 HB2 LEU 45 55.363 -4.591 8.346 407 2HB LEU 45 HB1 LEU 45 53.962 -3.957 7.496 408 HG LEU 45 HG LEU 45 55.856 -2.069 8.853 409 1HD1 LEU 45 HD11 LEU 45 56.648 -3.906 6.836 410 2HD1 LEU 45 HD13 LEU 45 56.465 -2.342 6.047 411 3HD1 LEU 45 HD12 LEU 45 57.529 -2.516 7.429 412 1HD2 LEU 45 HD23 LEU 45 53.638 -1.988 6.920 413 2HD2 LEU 45 HD22 LEU 45 54.229 -0.742 8.018 414 3HD2 LEU 45 HD21 LEU 45 55.029 -1.000 6.470 415 H GLY 46 HN GLY 46 53.354 -2.047 11.545 416 1HA GLY 46 HA2 GLY 46 54.547 -0.972 13.252 417 2HA GLY 46 HA1 GLY 46 55.237 -2.568 13.505 418 H LEU 47 HN LEU 47 55.828 -0.726 10.536 419 HA LEU 47 HA LEU 47 58.694 -0.619 11.344 420 1HB LEU 47 HB2 LEU 47 59.290 -0.927 9.159 421 2HB LEU 47 HB1 LEU 47 57.681 -1.592 9.047 422 HG LEU 47 HG LEU 47 58.551 1.194 8.259 423 1HD1 LEU 47 HD12 LEU 47 58.703 -1.105 6.804 424 2HD1 LEU 47 HD11 LEU 47 57.110 -0.508 6.342 425 3HD1 LEU 47 HD13 LEU 47 58.531 0.503 6.108 426 1HD2 LEU 47 HD21 LEU 47 55.865 0.054 8.772 427 2HD2 LEU 47 HD23 LEU 47 56.418 1.719 8.911 428 3HD2 LEU 47 HD22 LEU 47 56.033 1.047 7.329 429 H GLU 48 HN GLU 48 59.783 1.380 10.046 430 HA GLU 48 HA GLU 48 58.550 3.787 11.240 431 1HB GLU 48 HB2 GLU 48 60.720 4.863 10.481 432 2HB GLU 48 HB1 GLU 48 60.896 3.593 11.687 433 1HG GLU 48 HG2 GLU 48 60.968 2.619 8.911 434 2HG GLU 48 HG1 GLU 48 62.287 3.717 9.315 435 H LYS 49 HN LYS 49 58.441 5.777 9.917 436 HA LYS 49 HA LYS 49 57.211 5.299 7.345 437 1HB LYS 49 HB2 LYS 49 56.886 7.304 8.989 438 2HB LYS 49 HB1 LYS 49 58.288 7.982 8.163 439 1HG LYS 49 HG2 LYS 49 56.792 7.142 6.033 440 2HG LYS 49 HG1 LYS 49 55.527 7.594 7.176 441 1HD LYS 49 HD2 LYS 49 56.898 9.769 7.514 442 2HD LYS 49 HD1 LYS 49 57.713 9.317 6.017 443 1HE LYS 49 HE2 LYS 49 55.992 10.472 5.052 444 2HE LYS 49 HE1 LYS 49 55.130 8.952 5.271 445 1HZ LYS 49 HZ3 LYS 49 54.897 10.268 7.680 446 2HZ LYS 49 HZ2 LYS 49 54.672 11.474 6.505 447 3HZ LYS 49 HZ1 LYS 49 53.694 10.086 6.499 448 H ASP 50 HN ASP 50 60.487 5.512 8.342 449 HA ASP 50 HA ASP 50 61.531 6.585 5.840 450 1HB ASP 50 HB2 ASP 50 62.532 6.312 8.405 451 2HB ASP 50 HB1 ASP 50 63.377 5.033 7.534 452 H VAL 51 HN VAL 51 60.698 3.429 7.122 453 HA VAL 51 HA VAL 51 62.230 1.960 5.075 454 HB VAL 51 HB VAL 51 60.122 1.105 7.096 455 1HG1 VAL 51 HG12 VAL 51 60.017 -0.362 5.115 456 2HG1 VAL 51 HG11 VAL 51 61.754 -0.644 5.230 457 3HG1 VAL 51 HG13 VAL 51 60.680 -1.224 6.503 458 1HG2 VAL 51 HG23 VAL 51 62.508 1.749 7.818 459 2HG2 VAL 51 HG22 VAL 51 61.860 0.206 8.376 460 3HG2 VAL 51 HG21 VAL 51 62.995 0.251 7.027 461 H VAL 52 HN VAL 52 58.934 2.873 5.831 462 HA VAL 52 HA VAL 52 57.783 1.581 3.520 463 HB VAL 52 HB VAL 52 56.912 2.808 5.914 464 1HG1 VAL 52 HG13 VAL 52 55.684 4.198 3.527 465 2HG1 VAL 52 HG12 VAL 52 55.000 4.205 5.154 466 3HG1 VAL 52 HG11 VAL 52 56.571 4.947 4.855 467 1HG2 VAL 52 HG23 VAL 52 56.164 0.754 4.386 468 2HG2 VAL 52 HG22 VAL 52 55.089 1.453 5.596 469 3HG2 VAL 52 HG21 VAL 52 54.916 1.898 3.897 470 NH1 ARG 53 NH2 ARG 53 62.774 8.591 2.648 471 NH2 ARG 53 NH1 ARG 53 62.954 10.695 1.842 472 H ARG 53 HN ARG 53 59.190 4.745 4.064 473 HA ARG 53 HA ARG 53 58.099 5.820 1.557 474 1HB ARG 53 HB2 ARG 53 58.603 7.149 3.725 475 2HB ARG 53 HB1 ARG 53 60.279 7.119 3.178 476 1HG ARG 53 HG2 ARG 53 58.228 7.906 1.167 477 2HG ARG 53 HG1 ARG 53 58.560 9.063 2.456 478 1HD ARG 53 HD2 ARG 53 60.897 7.794 1.096 479 2HD ARG 53 HD1 ARG 53 60.005 9.030 0.210 480 HE ARG 53 HE ARG 53 60.401 10.440 2.377 481 1HH1 ARG 53 HH21 ARG 53 62.210 7.801 2.889 482 2HH1 ARG 53 HH22 ARG 53 63.765 8.557 2.781 483 1HH2 ARG 53 HH11 ARG 53 62.528 11.519 1.466 484 2HH2 ARG 53 HH12 ARG 53 63.944 10.661 1.976 485 H VAL 54 HN VAL 54 61.165 4.418 2.688 486 HA VAL 54 HA VAL 54 62.621 5.219 0.290 487 HB VAL 54 HB VAL 54 63.239 3.049 2.326 488 1HG1 VAL 54 HG12 VAL 54 64.865 4.289 0.089 489 2HG1 VAL 54 HG11 VAL 54 65.600 3.409 1.429 490 3HG1 VAL 54 HG13 VAL 54 64.496 2.581 0.330 491 1HG2 VAL 54 HG21 VAL 54 63.104 5.688 2.835 492 2HG2 VAL 54 HG23 VAL 54 64.326 4.651 3.572 493 3HG2 VAL 54 HG22 VAL 54 64.732 5.625 2.158 494 CH2 TRP 55 CH2 TRP 55 55.239 -1.350 -1.862 495 H TRP 55 HN TRP 55 60.788 2.349 1.290 496 HA TRP 55 HA TRP 55 61.505 0.874 -1.111 497 1HB TRP 55 HB2 TRP 55 60.820 -0.485 0.751 498 2HB TRP 55 HB1 TRP 55 59.355 0.458 0.988 499 HD1 TRP 55 HD1 TRP 55 60.877 -2.087 -1.544 500 HE1 TRP 55 HE1 TRP 55 58.919 -3.132 -2.848 501 HE3 TRP 55 HE3 TRP 55 56.963 0.655 0.286 502 HZ2 TRP 55 HZ2 TRP 55 56.123 -2.868 -3.098 503 HZ3 TRP 55 HZ3 TRP 55 54.672 0.239 -0.537 504 HH2 TRP 55 HH2 TRP 55 54.234 -1.531 -2.211 505 H PHE 56 HN PHE 56 58.789 3.014 -0.140 506 HA PHE 56 HA PHE 56 57.511 2.500 -2.715 507 1HB PHE 56 HB2 PHE 56 56.418 3.268 -0.343 508 2HB PHE 56 HB1 PHE 56 56.513 4.821 -1.176 509 HD1 PHE 56 HD2 PHE 56 55.935 1.355 -2.472 510 HD2 PHE 56 HD1 PHE 56 54.353 5.315 -2.045 511 HE1 PHE 56 HE2 PHE 56 54.007 0.716 -3.852 512 HE2 PHE 56 HE1 PHE 56 52.409 4.675 -3.451 513 HZ PHE 56 HZ PHE 56 52.250 2.365 -4.356 514 H CYS 57 HN CYS 57 60.052 4.480 -1.805 515 HA CYS 57 HA CYS 57 59.428 6.672 -3.641 516 1HB CYS 57 HB2 CYS 57 61.113 6.747 -1.658 517 2HB CYS 57 HB1 CYS 57 62.207 5.873 -2.728 518 HG CYS 57 HG CYS 57 62.716 8.320 -3.262 519 H ASN 58 HN ASN 58 61.005 3.545 -3.705 520 HA ASN 58 HA ASN 58 61.827 3.883 -6.523 521 1HB ASN 58 HB2 ASN 58 62.126 1.649 -4.504 522 2HB ASN 58 HB1 ASN 58 62.556 1.446 -6.202 523 1HD2 ASN 58 HD22 ASN 58 64.909 3.771 -3.789 524 2HD2 ASN 58 HD21 ASN 58 63.382 3.266 -3.248 525 NH1 ARG 59 NH2 ARG 59 54.682 0.569 -8.841 526 NH2 ARG 59 NH1 ARG 59 52.836 0.821 -7.563 527 H ARG 59 HN ARG 59 59.225 2.498 -4.609 528 HA ARG 59 HA ARG 59 58.209 0.808 -6.758 529 1HB ARG 59 HB2 ARG 59 57.659 1.014 -4.000 530 2HB ARG 59 HB1 ARG 59 56.179 1.555 -4.781 531 1HG ARG 59 HG2 ARG 59 57.612 -1.064 -5.281 532 2HG ARG 59 HG1 ARG 59 56.075 -0.842 -4.453 533 1HD ARG 59 HD2 ARG 59 56.652 -0.308 -7.378 534 2HD ARG 59 HD1 ARG 59 55.591 -1.551 -6.716 535 HE ARG 59 HE ARG 59 54.613 0.917 -5.766 536 1HH1 ARG 59 HH21 ARG 59 55.664 0.406 -8.923 537 2HH1 ARG 59 HH22 ARG 59 54.129 0.706 -9.663 538 1HH2 ARG 59 HH11 ARG 59 52.402 0.853 -6.663 539 2HH2 ARG 59 HH12 ARG 59 52.287 0.960 -8.387 540 NH1 ARG 60 NH1 ARG 60 56.334 10.229 -3.971 541 NH2 ARG 60 NH2 ARG 60 56.522 11.301 -5.953 542 H ARG 60 HN ARG 60 57.927 4.178 -5.886 543 HA ARG 60 HA ARG 60 55.479 4.553 -7.477 544 1HB ARG 60 HB2 ARG 60 55.741 6.939 -6.939 545 2HB ARG 60 HB1 ARG 60 55.876 5.960 -5.481 546 1HG ARG 60 HG2 ARG 60 58.359 6.065 -5.679 547 2HG ARG 60 HG1 ARG 60 58.180 7.123 -7.077 548 1HD ARG 60 HD2 ARG 60 57.140 7.700 -4.287 549 2HD ARG 60 HD1 ARG 60 58.572 8.428 -5.015 550 HE ARG 60 HE ARG 60 56.329 8.873 -6.733 551 1HH1 ARG 60 HH11 ARG 60 56.341 9.381 -3.441 552 2HH1 ARG 60 HH12 ARG 60 56.174 11.104 -3.513 553 1HH2 ARG 60 HH21 ARG 60 56.674 11.275 -6.941 554 2HH2 ARG 60 HH22 ARG 60 56.363 12.176 -5.494 555 H GLN 61 HN GLN 61 58.961 5.018 -7.840 556 HA GLN 61 HA GLN 61 58.465 5.734 -10.704 557 1HB GLN 61 HB2 GLN 61 60.705 6.897 -10.599 558 2HB GLN 61 HB1 GLN 61 59.458 7.647 -9.603 559 1HG GLN 61 HG2 GLN 61 60.466 7.036 -7.636 560 2HG GLN 61 HG1 GLN 61 61.098 5.532 -8.305 561 1HE2 GLN 61 HE22 GLN 61 64.017 7.161 -9.727 562 2HE2 GLN 61 HE21 GLN 61 62.900 5.931 -10.075 563 H LYS 62 HN LYS 62 58.431 3.172 -10.479 564 HA LYS 62 HA LYS 62 61.089 1.947 -10.398 565 1HB LYS 62 HB2 LYS 62 59.888 -0.139 -10.919 566 2HB LYS 62 HB1 LYS 62 59.106 0.717 -9.593 567 1HG LYS 62 HG2 LYS 62 57.211 0.406 -10.818 568 2HG LYS 62 HG1 LYS 62 57.797 1.790 -11.739 569 1HD LYS 62 HD2 LYS 62 58.228 0.530 -13.567 570 2HD LYS 62 HD1 LYS 62 59.018 -0.727 -12.615 571 1HE LYS 62 HE2 LYS 62 56.601 -1.343 -11.857 572 2HE LYS 62 HE1 LYS 62 56.095 -0.417 -13.270 573 1HZ LYS 62 HZ3 LYS 62 57.857 -1.851 -14.469 574 2HZ LYS 62 HZ2 LYS 62 57.672 -2.897 -13.143 575 3HZ LYS 62 HZ1 LYS 62 56.337 -2.521 -14.126 576 H GLY 63 HN GLY 63 58.839 3.094 -12.833 577 1HA GLY 63 HA2 GLY 63 60.375 3.721 -14.912 578 2HA GLY 63 HA1 GLY 63 60.500 1.964 -15.015 579 H LYS 64 HN LYS 64 58.011 4.519 -14.751 580 HA LYS 64 HA LYS 64 55.978 2.793 -15.952 581 1HB LYS 64 HB2 LYS 64 55.825 4.928 -14.281 582 2HB LYS 64 HB1 LYS 64 55.520 5.721 -15.826 583 1HG LYS 64 HG2 LYS 64 53.825 3.838 -16.267 584 2HG LYS 64 HG1 LYS 64 53.970 3.464 -14.550 585 1HD LYS 64 HD2 LYS 64 53.184 5.643 -13.920 586 2HD LYS 64 HD1 LYS 64 53.304 6.233 -15.578 587 1HE LYS 64 HE2 LYS 64 51.413 5.076 -16.274 588 2HE LYS 64 HE1 LYS 64 51.572 3.853 -15.014 589 1HZ LYS 64 HZ1 LYS 64 51.171 5.943 -13.490 590 2HZ LYS 64 HZ3 LYS 64 50.390 6.525 -14.878 591 3HZ LYS 64 HZ2 LYS 64 49.876 5.073 -14.161 592 NH1 ARG 65 NH2 ARG 65 52.819 8.784 -22.800 593 NH2 ARG 65 NH1 ARG 65 53.166 10.627 -21.536 594 H ARG 65 HN ARG 65 57.184 5.999 -16.937 595 HA ARG 65 HA ARG 65 56.823 5.128 -19.770 596 1HB ARG 65 HB2 ARG 65 55.549 7.169 -18.749 597 2HB ARG 65 HB1 ARG 65 57.097 7.998 -18.903 598 1HG ARG 65 HG2 ARG 65 57.155 7.371 -21.315 599 2HG ARG 65 HG1 ARG 65 55.554 6.651 -21.139 600 1HD ARG 65 HD2 ARG 65 55.900 9.456 -20.187 601 2HD ARG 65 HD1 ARG 65 55.882 9.191 -21.930 602 HE ARG 65 HE ARG 65 53.674 8.042 -20.301 603 1HH1 ARG 65 HH21 ARG 65 52.970 7.810 -22.970 604 2HH1 ARG 65 HH22 ARG 65 52.255 9.320 -23.427 605 1HH2 ARG 65 HH11 ARG 65 53.583 11.065 -20.739 606 2HH2 ARG 65 HH12 ARG 65 52.602 11.164 -22.163 607 H SER 66 HN SER 66 58.921 4.183 -19.974 608 HA SER 66 HA SER 66 61.132 6.188 -20.050 609 1HB SER 66 HB2 SER 66 61.411 3.315 -19.120 610 2HB SER 66 HB1 SER 66 62.685 4.531 -19.169 611 HG SER 66 HG SER 66 61.453 5.743 -17.661 612 H SER 67 HN SER 67 60.179 6.072 -22.368 613 HA SER 67 HA SER 67 61.579 3.888 -23.861 614 1HB SER 67 HB2 SER 67 58.805 4.791 -23.979 615 2HB SER 67 HB1 SER 67 59.582 4.860 -25.557 616 HG SER 67 HG SER 67 58.891 2.803 -25.384 No H/Q in entry = 616
Contact the webmaster for help, if required. Friday, July 5, 2024 2:31:54 AM GMT (wattos1)