NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633663 | 6mf8 | 30513 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H ASP 1 11.722 -1.048 -10.184 2 HA ASP 1 HA ASP 1 12.859 -1.974 -12.110 3 HB2 ASP 1 HB2 ASP 1 10.177 -3.123 -12.435 4 HB3 ASP 1 HB3 ASP 1 10.906 -2.574 -13.941 5 H ALA 2 H ALA 2 13.245 0.325 -12.053 6 HA ALA 2 HA ALA 2 12.518 1.638 -14.417 7 HB1 ALA 2 HB1 ALA 2 10.421 2.240 -13.810 8 HB2 ALA 2 HB2 ALA 2 10.777 2.157 -12.084 9 HB3 ALA 2 HB3 ALA 2 11.288 3.560 -13.024 10 H THR 3 H THR 3 13.090 4.086 -14.247 11 HA THR 3 HA THR 3 15.640 4.225 -12.828 12 HB THR 3 HB THR 3 14.895 6.499 -14.540 13 HG1 THR 3 HG1 THR 3 14.342 5.353 -16.220 14 HG21 THR 3 HG21 THR 3 17.262 4.777 -13.990 15 HG22 THR 3 HG22 THR 3 17.122 6.536 -13.994 16 HG23 THR 3 HG23 THR 3 17.204 5.653 -15.519 17 H LEU 4 H LEU 4 13.236 4.472 -11.295 18 HA LEU 4 HA LEU 4 12.471 5.712 -9.546 19 HB2 LEU 4 HB2 LEU 4 15.084 6.737 -10.063 20 HB3 LEU 4 HB3 LEU 4 14.016 8.079 -9.655 21 HG LEU 4 HG LEU 4 13.442 6.223 -7.705 22 HD11 LEU 4 HD11 LEU 4 15.593 5.507 -6.810 23 HD12 LEU 4 HD12 LEU 4 16.413 6.184 -8.217 24 HD13 LEU 4 HD13 LEU 4 15.312 4.821 -8.410 25 HD21 LEU 4 HD21 LEU 4 13.607 8.448 -7.087 26 HD22 LEU 4 HD22 LEU 4 15.188 8.649 -7.842 27 HD23 LEU 4 HD23 LEU 4 15.037 7.738 -6.338 28 H THR 5 H THR 5 13.602 8.340 -11.655 29 HA THR 5 HA THR 5 11.140 8.902 -12.871 30 HB THR 5 HB THR 5 11.119 11.212 -11.343 31 HG1 THR 5 HG1 THR 5 11.029 9.144 -9.446 32 HG21 THR 5 HG21 THR 5 9.300 9.471 -12.219 33 HG22 THR 5 HG22 THR 5 8.941 10.647 -10.955 34 HG23 THR 5 HG23 THR 5 9.335 8.983 -10.525 35 H GLU 6 H GLU 6 11.101 11.318 -13.632 36 HA GLU 6 HA GLU 6 13.810 11.906 -14.589 37 HB2 GLU 6 HB2 GLU 6 11.080 12.653 -15.631 38 HB3 GLU 6 HB3 GLU 6 12.562 13.361 -16.258 39 HG2 GLU 6 HG2 GLU 6 13.349 11.179 -16.949 40 HG3 GLU 6 HG3 GLU 6 11.918 10.422 -16.256 41 H LYS 7 H LYS 7 13.815 14.457 -15.242 42 HA LYS 7 HA LYS 7 12.643 16.253 -13.404 43 HB2 LYS 7 HB2 LYS 7 15.140 14.958 -12.587 44 HB3 LYS 7 HB3 LYS 7 15.225 16.714 -12.559 45 HG2 LYS 7 HG2 LYS 7 14.030 16.817 -10.695 46 HG3 LYS 7 HG3 LYS 7 12.770 15.779 -11.369 47 HD2 LYS 7 HD2 LYS 7 13.685 13.871 -10.493 48 HD3 LYS 7 HD3 LYS 7 15.327 14.518 -10.514 49 HE2 LYS 7 HE2 LYS 7 14.534 16.109 -8.682 50 HE3 LYS 7 HE3 LYS 7 13.123 15.062 -8.545 51 HZ1 LYS 7 HZ1 LYS 7 15.012 13.242 -8.405 52 HZ2 LYS 7 HZ2 LYS 7 14.467 14.070 -7.036 53 HZ3 LYS 7 HZ3 LYS 7 15.898 14.550 -7.798 54 H SER 8 H SER 8 15.434 15.578 -15.467 55 HA SER 8 HA SER 8 16.453 16.786 -17.102 56 HB2 SER 8 HB2 SER 8 14.017 16.997 -17.836 57 HB3 SER 8 HB3 SER 8 14.037 18.598 -17.098 58 HG SER 8 HG SER 8 15.264 19.322 -18.672 59 H PHE 9 H PHE 9 17.483 17.365 -14.765 60 HA PHE 9 HA PHE 9 18.562 19.926 -15.041 61 HB2 PHE 9 HB2 PHE 9 16.029 19.934 -13.749 62 HB3 PHE 9 HB3 PHE 9 17.249 20.285 -12.529 63 HD1 PHE 9 HD1 PHE 9 19.226 21.842 -13.910 64 HD2 PHE 9 HD2 PHE 9 14.990 21.901 -14.323 65 HE1 PHE 9 HE1 PHE 9 19.339 24.171 -14.690 66 HE2 PHE 9 HE2 PHE 9 15.097 24.231 -15.105 67 HZ PHE 9 HZ PHE 9 17.273 25.369 -15.291 68 H GLU 10 H GLU 10 17.735 17.301 -12.854 69 HA GLU 10 HA GLU 10 19.923 17.797 -11.064 70 HB2 GLU 10 HB2 GLU 10 17.863 15.650 -11.369 71 HB3 GLU 10 HB3 GLU 10 19.280 15.337 -10.378 72 HG2 GLU 10 HG2 GLU 10 18.278 17.868 -9.630 73 HG3 GLU 10 HG3 GLU 10 16.910 16.759 -9.715 74 H THR 11 H THR 11 21.457 17.912 -12.967 75 HA THR 11 HA THR 11 22.490 15.221 -13.587 76 HB THR 11 HB THR 11 23.323 15.995 -15.674 77 HG1 THR 11 HG1 THR 11 23.084 18.250 -16.251 78 HG21 THR 11 HG21 THR 11 20.784 15.639 -15.385 79 HG22 THR 11 HG22 THR 11 21.352 16.442 -16.849 80 HG23 THR 11 HG23 THR 11 20.670 17.392 -15.530 81 H ASP 12 H ASP 12 24.946 15.915 -14.603 82 HA ASP 12 HA ASP 12 26.298 16.961 -12.209 83 HB2 ASP 12 HB2 ASP 12 28.319 15.762 -13.337 84 HB3 ASP 12 HB3 ASP 12 27.102 14.800 -12.502 85 H MET 13 H MET 13 26.810 16.816 -15.740 86 HA MET 13 HA MET 13 27.784 18.275 -17.191 87 HB2 MET 13 HB2 MET 13 25.730 19.548 -16.424 88 HB3 MET 13 HB3 MET 13 26.787 20.430 -15.330 89 HG2 MET 13 HG2 MET 13 28.138 20.801 -17.596 90 HG3 MET 13 HG3 MET 13 26.521 20.597 -18.267 91 HE1 MET 13 HE1 MET 13 26.873 22.719 -19.331 92 HE2 MET 13 HE2 MET 13 25.255 23.144 -18.773 93 HE3 MET 13 HE3 MET 13 26.578 24.299 -18.605 94 H ASN 14 H ASN 14 29.650 17.222 -15.597 95 HA ASN 14 HA ASN 14 31.178 18.847 -13.970 96 HB2 ASN 14 HB2 ASN 14 32.381 16.865 -15.902 97 HB3 ASN 14 HB3 ASN 14 32.972 17.321 -14.306 98 HD21 ASN 14 HD21 ASN 14 32.508 16.010 -12.697 99 HD22 ASN 14 HD22 ASN 14 31.253 14.824 -12.683 100 H LEU 15 H LEU 15 32.964 20.190 -14.293 101 HA LEU 15 HA LEU 15 34.152 20.792 -16.748 102 HB2 LEU 15 HB2 LEU 15 31.601 21.790 -16.676 103 HB3 LEU 15 HB3 LEU 15 32.558 23.166 -16.130 104 HG LEU 15 HG LEU 15 32.225 23.364 -18.487 105 HD11 LEU 15 HD11 LEU 15 34.304 24.077 -18.792 106 HD12 LEU 15 HD12 LEU 15 34.934 22.430 -18.803 107 HD13 LEU 15 HD13 LEU 15 34.731 23.285 -17.274 108 HD21 LEU 15 HD21 LEU 15 31.708 21.017 -18.958 109 HD22 LEU 15 HD22 LEU 15 33.408 20.599 -18.736 110 HD23 LEU 15 HD23 LEU 15 32.924 21.650 -20.067 111 H ASN 16 H ASN 16 32.913 22.757 -14.035 112 HA ASN 16 HA ASN 16 35.708 23.353 -13.322 113 HB2 ASN 16 HB2 ASN 16 33.390 25.291 -13.156 114 HB3 ASN 16 HB3 ASN 16 35.068 25.629 -12.744 115 HD21 ASN 16 HD21 ASN 16 36.417 24.495 -14.811 116 HD22 ASN 16 HD22 ASN 16 36.021 25.300 -16.287 117 H PHE 17 H PHE 17 33.900 25.111 -11.303 118 HA PHE 17 HA PHE 17 34.373 23.469 -9.061 119 HB2 PHE 17 HB2 PHE 17 33.165 25.143 -7.787 120 HB3 PHE 17 HB3 PHE 17 34.194 25.944 -8.969 121 HD1 PHE 17 HD1 PHE 17 33.231 27.077 -10.893 122 HD2 PHE 17 HD2 PHE 17 30.772 25.235 -7.948 123 HE1 PHE 17 HE1 PHE 17 31.283 28.312 -11.752 124 HE2 PHE 17 HE2 PHE 17 28.820 26.466 -8.802 125 HZ PHE 17 HZ PHE 17 29.074 28.006 -10.707 126 H GLN 18 H GLN 18 31.555 23.959 -11.095 127 HA GLN 18 HA GLN 18 29.560 22.836 -9.556 128 HB2 GLN 18 HB2 GLN 18 30.043 23.185 -12.443 129 HB3 GLN 18 HB3 GLN 18 28.895 21.919 -12.030 130 HG2 GLN 18 HG2 GLN 18 28.346 24.281 -10.501 131 HG3 GLN 18 HG3 GLN 18 28.426 24.670 -12.218 132 HE21 GLN 18 HE21 GLN 18 26.276 25.015 -12.523 133 HE22 GLN 18 HE22 GLN 18 25.079 23.775 -12.397 134 H ASN 19 H ASN 19 32.074 21.237 -11.423 135 HA ASN 19 HA ASN 19 31.107 18.630 -11.404 136 HB2 ASN 19 HB2 ASN 19 32.999 18.997 -12.740 137 HB3 ASN 19 HB3 ASN 19 33.884 19.781 -11.436 138 HD21 ASN 19 HD21 ASN 19 35.662 18.469 -11.604 139 HD22 ASN 19 HD22 ASN 19 35.647 16.802 -11.151 140 H LEU 20 H LEU 20 33.337 20.147 -9.070 141 HA LEU 20 HA LEU 20 33.401 17.957 -7.298 142 HB2 LEU 20 HB2 LEU 20 34.137 20.836 -7.138 143 HB3 LEU 20 HB3 LEU 20 34.038 19.909 -5.643 144 HG LEU 20 HG LEU 20 36.331 20.056 -6.497 145 HD11 LEU 20 HD11 LEU 20 35.177 17.935 -5.388 146 HD12 LEU 20 HD12 LEU 20 36.866 17.934 -5.895 147 HD13 LEU 20 HD13 LEU 20 35.635 17.209 -6.929 148 HD21 LEU 20 HD21 LEU 20 35.774 18.215 -8.737 149 HD22 LEU 20 HD22 LEU 20 36.971 19.504 -8.593 150 HD23 LEU 20 HD23 LEU 20 35.291 19.896 -8.966 151 H SER 21 H SER 21 31.071 20.423 -7.831 152 HA SER 21 HA SER 21 29.852 20.381 -5.254 153 HB2 SER 21 HB2 SER 21 29.656 22.167 -7.134 154 HB3 SER 21 HB3 SER 21 28.387 21.123 -7.774 155 HG SER 21 HG SER 21 28.477 22.497 -5.312 156 H VAL 22 H VAL 22 28.838 19.015 -8.390 157 HA VAL 22 HA VAL 22 26.743 17.462 -7.208 158 HB VAL 22 HB VAL 22 26.530 16.428 -9.445 159 HG11 VAL 22 HG11 VAL 22 26.277 19.232 -8.804 160 HG12 VAL 22 HG12 VAL 22 26.541 18.992 -10.533 161 HG13 VAL 22 HG13 VAL 22 25.195 18.187 -9.725 162 HG21 VAL 22 HG21 VAL 22 28.532 16.251 -10.494 163 HG22 VAL 22 HG22 VAL 22 28.032 17.793 -11.188 164 HG23 VAL 22 HG23 VAL 22 29.144 17.762 -9.820 165 H MET 23 H MET 23 30.012 16.788 -8.381 166 HA MET 23 HA MET 23 29.848 13.972 -7.949 167 HB2 MET 23 HB2 MET 23 31.456 15.304 -9.488 168 HB3 MET 23 HB3 MET 23 32.425 15.509 -8.035 169 HG2 MET 23 HG2 MET 23 32.847 13.220 -7.851 170 HG3 MET 23 HG3 MET 23 31.538 12.802 -8.952 171 HE1 MET 23 HE1 MET 23 35.459 12.190 -9.873 172 HE2 MET 23 HE2 MET 23 34.179 11.662 -8.782 173 HE3 MET 23 HE3 MET 23 34.112 11.233 -10.492 174 H GLY 24 H GLY 24 31.357 16.654 -6.162 175 HA2 GLY 24 HA2 GLY 24 32.407 15.094 -4.066 176 HA3 GLY 24 HA3 GLY 24 32.062 16.816 -3.983 177 H LEU 25 H LEU 25 29.225 16.490 -4.560 178 HA LEU 25 HA LEU 25 28.329 16.047 -1.881 179 HB2 LEU 25 HB2 LEU 25 27.060 16.838 -4.457 180 HB3 LEU 25 HB3 LEU 25 26.029 16.277 -3.142 181 HG LEU 25 HG LEU 25 26.617 18.849 -3.532 182 HD11 LEU 25 HD11 LEU 25 25.011 18.196 -1.936 183 HD12 LEU 25 HD12 LEU 25 26.211 19.138 -1.051 184 HD13 LEU 25 HD13 LEU 25 26.217 17.379 -0.941 185 HD21 LEU 25 HD21 LEU 25 28.706 17.962 -1.550 186 HD22 LEU 25 HD22 LEU 25 28.386 19.605 -2.108 187 HD23 LEU 25 HD23 LEU 25 29.050 18.409 -3.221 188 H ARG 26 H ARG 26 28.079 14.284 -4.928 189 HA ARG 26 HA ARG 26 26.364 12.248 -3.880 190 HB2 ARG 26 HB2 ARG 26 26.823 13.006 -6.364 191 HB3 ARG 26 HB3 ARG 26 28.096 11.796 -6.273 192 HG2 ARG 26 HG2 ARG 26 26.071 10.342 -5.319 193 HG3 ARG 26 HG3 ARG 26 25.162 11.467 -6.332 194 HD2 ARG 26 HD2 ARG 26 25.731 10.308 -8.136 195 HD3 ARG 26 HD3 ARG 26 27.435 10.611 -7.798 196 HE ARG 26 HE ARG 26 27.620 8.446 -7.112 197 HH11 ARG 26 HH11 ARG 26 24.266 9.369 -6.970 198 HH12 ARG 26 HH12 ARG 26 23.714 7.782 -6.548 199 HH21 ARG 26 HH21 ARG 26 26.905 6.353 -6.557 200 HH22 ARG 26 HH22 ARG 26 25.214 6.068 -6.312 201 H ILE 27 H ILE 27 29.837 12.597 -4.368 202 HA ILE 27 HA ILE 27 30.542 9.930 -3.754 203 HB ILE 27 HB ILE 27 31.954 12.452 -4.173 204 HG12 ILE 27 HG12 ILE 27 33.547 10.968 -5.292 205 HG13 ILE 27 HG13 ILE 27 32.752 9.562 -4.592 206 HG21 ILE 27 HG21 ILE 27 34.024 11.679 -3.001 207 HG22 ILE 27 HG22 ILE 27 32.720 12.189 -1.930 208 HG23 ILE 27 HG23 ILE 27 33.035 10.471 -2.178 209 HD11 ILE 27 HD11 ILE 27 31.067 9.610 -6.085 210 HD12 ILE 27 HD12 ILE 27 31.048 11.372 -6.176 211 HD13 ILE 27 HD13 ILE 27 32.268 10.455 -7.060 212 H LEU 28 H LEU 28 30.181 12.833 -1.775 213 HA LEU 28 HA LEU 28 31.137 11.621 0.626 214 HB2 LEU 28 HB2 LEU 28 30.025 14.194 -0.195 215 HB3 LEU 28 HB3 LEU 28 29.556 13.712 1.434 216 HG LEU 28 HG LEU 28 31.587 15.186 1.266 217 HD11 LEU 28 HD11 LEU 28 31.176 13.954 3.275 218 HD12 LEU 28 HD12 LEU 28 32.895 13.838 2.896 219 HD13 LEU 28 HD13 LEU 28 31.824 12.477 2.560 220 HD21 LEU 28 HD21 LEU 28 33.693 14.145 0.623 221 HD22 LEU 28 HD22 LEU 28 32.564 14.167 -0.732 222 HD23 LEU 28 HD23 LEU 28 32.838 12.672 0.163 223 H LEU 29 H LEU 29 27.921 12.278 -0.709 224 HA LEU 29 HA LEU 29 26.356 11.497 1.436 225 HB2 LEU 29 HB2 LEU 29 25.015 12.337 -0.164 226 HB3 LEU 29 HB3 LEU 29 26.011 11.705 -1.474 227 HG LEU 29 HG LEU 29 24.374 9.762 0.064 228 HD11 LEU 29 HD11 LEU 29 23.195 11.621 -1.995 229 HD12 LEU 29 HD12 LEU 29 22.835 11.641 -0.270 230 HD13 LEU 29 HD13 LEU 29 22.389 10.243 -1.247 231 HD21 LEU 29 HD21 LEU 29 24.064 9.290 -2.603 232 HD22 LEU 29 HD22 LEU 29 25.317 8.575 -1.587 233 HD23 LEU 29 HD23 LEU 29 25.672 10.011 -2.548 234 H LEU 30 H LEU 30 27.800 9.506 -1.109 235 HA LEU 30 HA LEU 30 26.653 7.066 -0.145 236 HB2 LEU 30 HB2 LEU 30 27.888 7.876 -2.470 237 HB3 LEU 30 HB3 LEU 30 29.077 6.801 -1.741 238 HG LEU 30 HG LEU 30 27.446 4.994 -1.702 239 HD11 LEU 30 HD11 LEU 30 25.287 5.335 -2.941 240 HD12 LEU 30 HD12 LEU 30 25.598 7.068 -2.856 241 HD13 LEU 30 HD13 LEU 30 25.395 6.135 -1.374 242 HD21 LEU 30 HD21 LEU 30 26.968 5.166 -4.351 243 HD22 LEU 30 HD22 LEU 30 28.523 4.705 -3.661 244 HD23 LEU 30 HD23 LEU 30 28.247 6.368 -4.181 245 H LYS 31 H LYS 31 29.554 8.871 0.485 246 HA LYS 31 HA LYS 31 30.931 6.696 1.779 247 HB2 LYS 31 HB2 LYS 31 32.194 8.475 0.672 248 HB3 LYS 31 HB3 LYS 31 31.496 9.667 1.760 249 HG2 LYS 31 HG2 LYS 31 32.649 8.736 3.632 250 HG3 LYS 31 HG3 LYS 31 33.201 7.361 2.672 251 HD2 LYS 31 HD2 LYS 31 34.345 9.104 1.182 252 HD3 LYS 31 HD3 LYS 31 34.062 10.236 2.506 253 HE2 LYS 31 HE2 LYS 31 35.162 7.831 3.572 254 HE3 LYS 31 HE3 LYS 31 36.158 8.354 2.215 255 HZ1 LYS 31 HZ1 LYS 31 37.104 9.648 3.763 256 HZ2 LYS 31 HZ2 LYS 31 35.777 9.581 4.809 257 HZ3 LYS 31 HZ3 LYS 31 35.774 10.661 3.507 258 H VAL 32 H VAL 32 28.682 9.154 2.689 259 HA VAL 32 HA VAL 32 29.210 8.740 5.539 260 HB VAL 32 HB VAL 32 27.712 10.600 5.951 261 HG11 VAL 32 HG11 VAL 32 29.451 11.933 5.607 262 HG12 VAL 32 HG12 VAL 32 30.130 10.757 4.479 263 HG13 VAL 32 HG13 VAL 32 29.055 12.026 3.891 264 HG21 VAL 32 HG21 VAL 32 27.176 10.431 2.996 265 HG22 VAL 32 HG22 VAL 32 26.019 10.328 4.324 266 HG23 VAL 32 HG23 VAL 32 26.802 11.864 3.952 267 H ALA 33 H ALA 33 26.891 8.020 3.050 268 HA ALA 33 HA ALA 33 24.967 6.994 4.998 269 HB1 ALA 33 HB1 ALA 33 24.072 8.359 3.202 270 HB2 ALA 33 HB2 ALA 33 24.760 7.264 2.002 271 HB3 ALA 33 HB3 ALA 33 23.475 6.705 3.072 272 H GLY 34 H GLY 34 26.965 5.898 2.281 273 HA2 GLY 34 HA2 GLY 34 26.171 3.277 2.053 274 HA3 GLY 34 HA3 GLY 34 27.825 3.818 1.812 275 H PHE 35 H PHE 35 27.988 4.733 4.642 276 HA PHE 35 HA PHE 35 27.922 2.170 6.060 277 HB2 PHE 35 HB2 PHE 35 30.228 2.789 4.970 278 HB3 PHE 35 HB3 PHE 35 30.352 3.900 6.330 279 HD1 PHE 35 HD1 PHE 35 31.527 3.134 8.133 280 HD2 PHE 35 HD2 PHE 35 29.361 0.345 5.757 281 HE1 PHE 35 HE1 PHE 35 32.332 1.298 9.560 282 HE2 PHE 35 HE2 PHE 35 30.162 -1.495 7.180 283 HZ PHE 35 HZ PHE 35 31.649 -1.019 9.086 284 H ASN 36 H ASN 36 26.023 3.703 6.736 285 HA ASN 36 HA ASN 36 26.283 4.343 9.390 286 HB2 ASN 36 HB2 ASN 36 27.517 6.338 7.771 287 HB3 ASN 36 HB3 ASN 36 26.066 7.039 8.483 288 HD21 ASN 36 HD21 ASN 36 25.918 5.872 10.900 289 HD22 ASN 36 HD22 ASN 36 27.299 6.276 11.857 290 H LEU 37 H LEU 37 24.898 6.415 6.850 291 HA LEU 37 HA LEU 37 22.374 6.613 8.050 292 HB2 LEU 37 HB2 LEU 37 23.271 8.157 6.338 293 HB3 LEU 37 HB3 LEU 37 23.051 6.898 5.126 294 HG LEU 37 HG LEU 37 20.540 7.111 6.189 295 HD11 LEU 37 HD11 LEU 37 20.688 8.990 7.478 296 HD12 LEU 37 HD12 LEU 37 20.275 9.715 5.925 297 HD13 LEU 37 HD13 LEU 37 21.949 9.714 6.479 298 HD21 LEU 37 HD21 LEU 37 21.919 7.756 3.750 299 HD22 LEU 37 HD22 LEU 37 20.633 8.923 4.056 300 HD23 LEU 37 HD23 LEU 37 20.262 7.199 3.987 301 H LEU 38 H LEU 38 23.301 4.728 5.164 302 HA LEU 38 HA LEU 38 20.917 3.387 4.779 303 HB2 LEU 38 HB2 LEU 38 22.051 2.435 3.129 304 HB3 LEU 38 HB3 LEU 38 23.474 3.301 3.705 305 HG LEU 38 HG LEU 38 23.805 1.229 5.234 306 HD11 LEU 38 HD11 LEU 38 22.461 -0.515 4.976 307 HD12 LEU 38 HD12 LEU 38 22.735 -0.529 3.234 308 HD13 LEU 38 HD13 LEU 38 21.452 0.470 3.917 309 HD21 LEU 38 HD21 LEU 38 24.240 0.758 2.303 310 HD22 LEU 38 HD22 LEU 38 25.270 0.312 3.663 311 HD23 LEU 38 HD23 LEU 38 25.130 2.003 3.180 312 H MET 39 H MET 39 23.405 2.827 7.150 313 HA MET 39 HA MET 39 22.500 0.217 7.909 314 HB2 MET 39 HB2 MET 39 24.176 2.104 9.562 315 HB3 MET 39 HB3 MET 39 24.103 0.350 9.679 316 HG2 MET 39 HG2 MET 39 25.019 0.297 7.319 317 HG3 MET 39 HG3 MET 39 25.348 2.017 7.518 318 HE1 MET 39 HE1 MET 39 28.112 -1.263 8.517 319 HE2 MET 39 HE2 MET 39 26.402 -1.578 8.223 320 HE3 MET 39 HE3 MET 39 27.356 -0.708 7.022 321 H THR 40 H THR 40 22.156 3.478 9.274 322 HA THR 40 HA THR 40 20.588 2.677 11.497 323 HB THR 40 HB THR 40 20.594 5.409 10.207 324 HG1 THR 40 HG1 THR 40 22.326 5.809 11.730 325 HG21 THR 40 HG21 THR 40 19.061 4.486 12.257 326 HG22 THR 40 HG22 THR 40 19.549 6.169 12.055 327 HG23 THR 40 HG23 THR 40 20.463 5.108 13.128 328 H LEU 41 H LEU 41 19.650 4.384 8.503 329 HA LEU 41 HA LEU 41 16.918 4.397 8.876 330 HB2 LEU 41 HB2 LEU 41 17.742 5.642 7.082 331 HB3 LEU 41 HB3 LEU 41 18.619 4.267 6.413 332 HG LEU 41 HG LEU 41 15.650 4.123 6.484 333 HD11 LEU 41 HD11 LEU 41 15.245 5.627 4.843 334 HD12 LEU 41 HD12 LEU 41 16.843 5.440 4.122 335 HD13 LEU 41 HD13 LEU 41 16.640 6.429 5.569 336 HD21 LEU 41 HD21 LEU 41 17.054 3.418 4.047 337 HD22 LEU 41 HD22 LEU 41 15.988 2.443 5.061 338 HD23 LEU 41 HD23 LEU 41 17.703 2.579 5.456 339 H ARG 42 H ARG 42 18.988 1.779 7.828 340 HA ARG 42 HA ARG 42 17.170 0.032 6.705 341 HB2 ARG 42 HB2 ARG 42 19.822 -0.111 7.740 342 HB3 ARG 42 HB3 ARG 42 18.921 -1.489 8.355 343 HG2 ARG 42 HG2 ARG 42 18.184 -1.561 5.768 344 HG3 ARG 42 HG3 ARG 42 19.800 -0.868 5.620 345 HD2 ARG 42 HD2 ARG 42 19.525 -3.185 7.430 346 HD3 ARG 42 HD3 ARG 42 19.314 -3.511 5.710 347 HE ARG 42 HE ARG 42 21.607 -2.024 5.870 348 HH11 ARG 42 HH11 ARG 42 20.484 -5.017 7.250 349 HH12 ARG 42 HH12 ARG 42 22.066 -5.716 7.350 350 HH21 ARG 42 HH21 ARG 42 23.695 -2.933 5.996 351 HH22 ARG 42 HH22 ARG 42 23.892 -4.529 6.637 352 H LEU 43 H LEU 43 17.616 0.898 10.050 353 HA LEU 43 HA LEU 43 15.570 -1.071 10.826 354 HB2 LEU 43 HB2 LEU 43 18.040 -0.702 11.905 355 HB3 LEU 43 HB3 LEU 43 17.049 0.309 12.954 356 HG LEU 43 HG LEU 43 17.394 -1.954 13.857 357 HD11 LEU 43 HD11 LEU 43 14.514 -1.616 13.070 358 HD12 LEU 43 HD12 LEU 43 15.307 -0.571 14.248 359 HD13 LEU 43 HD13 LEU 43 15.174 -2.303 14.555 360 HD21 LEU 43 HD21 LEU 43 16.776 -3.887 12.788 361 HD22 LEU 43 HD22 LEU 43 17.326 -2.920 11.420 362 HD23 LEU 43 HD23 LEU 43 15.600 -3.074 11.757 363 H TRP 44 H TRP 44 16.470 2.303 10.856 364 HA TRP 44 HA TRP 44 14.005 2.992 12.287 365 HB2 TRP 44 HB2 TRP 44 16.648 4.196 12.056 366 HB3 TRP 44 HB3 TRP 44 15.359 5.360 11.761 367 HD1 TRP 44 HD1 TRP 44 13.886 6.101 13.818 368 HE1 TRP 44 HE1 TRP 44 14.091 5.729 16.356 369 HE3 TRP 44 HE3 TRP 44 17.428 2.416 13.813 370 HZ2 TRP 44 HZ2 TRP 44 15.560 4.089 18.123 371 HZ3 TRP 44 HZ3 TRP 44 18.180 1.499 15.970 372 HH2 TRP 44 HH2 TRP 44 17.264 2.320 18.079 373 H SER 45 H SER 45 12.295 3.832 11.273 374 HA SER 45 HA SER 45 11.938 3.780 8.550 375 HB2 SER 45 HB2 SER 45 10.039 5.430 8.987 376 HB3 SER 45 HB3 SER 45 10.004 3.933 9.919 377 HG SER 45 HG SER 45 11.256 6.238 10.947 378 H SER 46 H SER 46 12.280 5.127 6.864 379 HA SER 46 HA SER 46 13.251 6.785 5.643 380 HB2 SER 46 HB2 SER 46 11.364 8.015 6.884 381 HB3 SER 46 HB3 SER 46 12.636 8.655 7.925 382 HG SER 46 HG SER 46 12.537 10.128 6.354 Start of MODEL 2 1 H1 ASP 1 H ASP 1 1.806 0.000 0.856 2 HA ASP 1 HA ASP 1 2.703 -0.891 -1.255 3 HB2 ASP 1 HB2 ASP 1 1.695 0.277 -3.328 4 HB3 ASP 1 HB3 ASP 1 0.782 -1.033 -2.584 5 H ALA 2 H ALA 2 4.574 0.059 -1.749 6 HA ALA 2 HA ALA 2 4.713 2.986 -1.861 7 HB1 ALA 2 HB1 ALA 2 7.060 1.855 -0.583 8 HB2 ALA 2 HB2 ALA 2 6.051 3.217 -0.094 9 HB3 ALA 2 HB3 ALA 2 5.588 1.574 0.346 10 H THR 3 H THR 3 7.297 3.417 -2.343 11 HA THR 3 HA THR 3 8.430 1.557 -4.209 12 HB THR 3 HB THR 3 6.706 2.521 -5.653 13 HG1 THR 3 HG1 THR 3 8.244 3.438 -7.245 14 HG21 THR 3 HG21 THR 3 7.891 5.186 -5.820 15 HG22 THR 3 HG22 THR 3 7.136 4.852 -4.262 16 HG23 THR 3 HG23 THR 3 6.197 4.704 -5.746 17 H LEU 4 H LEU 4 10.564 2.007 -4.674 18 HA LEU 4 HA LEU 4 11.690 4.337 -3.271 19 HB2 LEU 4 HB2 LEU 4 12.732 1.584 -3.809 20 HB3 LEU 4 HB3 LEU 4 13.845 2.913 -3.492 21 HG LEU 4 HG LEU 4 12.452 3.249 -1.334 22 HD11 LEU 4 HD11 LEU 4 11.014 1.146 -2.451 23 HD12 LEU 4 HD12 LEU 4 10.880 1.772 -0.808 24 HD13 LEU 4 HD13 LEU 4 11.952 0.414 -1.149 25 HD21 LEU 4 HD21 LEU 4 13.920 1.804 -0.135 26 HD22 LEU 4 HD22 LEU 4 14.809 2.423 -1.528 27 HD23 LEU 4 HD23 LEU 4 14.165 0.780 -1.550 28 H THR 5 H THR 5 13.323 5.561 -4.257 29 HA THR 5 HA THR 5 14.310 5.023 -6.867 30 HB THR 5 HB THR 5 13.007 7.464 -7.394 31 HG1 THR 5 HG1 THR 5 11.325 7.171 -6.062 32 HG21 THR 5 HG21 THR 5 12.642 4.649 -8.403 33 HG22 THR 5 HG22 THR 5 13.556 5.963 -9.143 34 HG23 THR 5 HG23 THR 5 11.795 6.029 -9.100 35 H GLU 6 H GLU 6 15.294 7.184 -7.803 36 HA GLU 6 HA GLU 6 16.172 8.999 -5.708 37 HB2 GLU 6 HB2 GLU 6 18.559 8.650 -6.221 38 HB3 GLU 6 HB3 GLU 6 17.807 7.212 -5.544 39 HG2 GLU 6 HG2 GLU 6 17.625 6.248 -7.777 40 HG3 GLU 6 HG3 GLU 6 18.369 7.691 -8.462 41 H LYS 7 H LYS 7 17.721 10.682 -6.691 42 HA LYS 7 HA LYS 7 17.557 11.140 -9.510 43 HB2 LYS 7 HB2 LYS 7 15.608 12.422 -7.681 44 HB3 LYS 7 HB3 LYS 7 16.361 13.471 -8.874 45 HG2 LYS 7 HG2 LYS 7 15.682 11.602 -10.551 46 HG3 LYS 7 HG3 LYS 7 14.548 11.139 -9.280 47 HD2 LYS 7 HD2 LYS 7 14.172 13.835 -9.393 48 HD3 LYS 7 HD3 LYS 7 14.526 13.456 -11.081 49 HE2 LYS 7 HE2 LYS 7 12.649 12.169 -11.327 50 HE3 LYS 7 HE3 LYS 7 12.601 11.721 -9.622 51 HZ1 LYS 7 HZ1 LYS 7 10.871 13.168 -9.696 52 HZ2 LYS 7 HZ2 LYS 7 11.525 14.091 -10.953 53 HZ3 LYS 7 HZ3 LYS 7 12.107 14.279 -9.376 54 H SER 8 H SER 8 18.242 13.579 -9.920 55 HA SER 8 HA SER 8 20.427 14.175 -8.033 56 HB2 SER 8 HB2 SER 8 21.363 15.277 -10.295 57 HB3 SER 8 HB3 SER 8 21.675 13.596 -9.861 58 HG SER 8 HG SER 8 20.676 14.293 -12.059 59 H PHE 9 H PHE 9 18.874 15.842 -10.774 60 HA PHE 9 HA PHE 9 17.984 17.925 -10.984 61 HB2 PHE 9 HB2 PHE 9 16.580 17.056 -9.049 62 HB3 PHE 9 HB3 PHE 9 17.663 17.946 -7.984 63 HD1 PHE 9 HD1 PHE 9 17.229 20.161 -7.486 64 HD2 PHE 9 HD2 PHE 9 15.435 18.408 -10.925 65 HE1 PHE 9 HE1 PHE 9 15.887 22.197 -7.820 66 HE2 PHE 9 HE2 PHE 9 14.091 20.441 -11.264 67 HZ PHE 9 HZ PHE 9 14.316 22.339 -9.711 68 H GLU 10 H GLU 10 20.616 17.973 -11.151 69 HA GLU 10 HA GLU 10 21.339 20.583 -10.461 70 HB2 GLU 10 HB2 GLU 10 23.181 20.012 -8.816 71 HB3 GLU 10 HB3 GLU 10 21.540 19.947 -8.189 72 HG2 GLU 10 HG2 GLU 10 21.529 17.622 -8.113 73 HG3 GLU 10 HG3 GLU 10 22.898 17.486 -9.215 74 H THR 11 H THR 11 21.445 18.860 -12.704 75 HA THR 11 HA THR 11 24.241 19.197 -13.411 76 HB THR 11 HB THR 11 22.983 16.505 -13.914 77 HG1 THR 11 HG1 THR 11 23.839 15.777 -12.049 78 HG21 THR 11 HG21 THR 11 24.832 17.064 -15.367 79 HG22 THR 11 HG22 THR 11 25.359 15.845 -14.207 80 HG23 THR 11 HG23 THR 11 25.822 17.531 -13.985 81 H ASP 12 H ASP 12 24.164 20.300 -15.246 82 HA ASP 12 HA ASP 12 22.196 19.503 -17.285 83 HB2 ASP 12 HB2 ASP 12 22.168 21.916 -15.912 84 HB3 ASP 12 HB3 ASP 12 22.962 22.311 -17.434 85 H MET 13 H MET 13 25.109 21.523 -16.864 86 HA MET 13 HA MET 13 26.717 20.055 -18.621 87 HB2 MET 13 HB2 MET 13 24.830 21.695 -19.960 88 HB3 MET 13 HB3 MET 13 26.406 22.448 -20.161 89 HG2 MET 13 HG2 MET 13 26.732 19.678 -20.604 90 HG3 MET 13 HG3 MET 13 25.311 20.197 -21.506 91 HE1 MET 13 HE1 MET 13 29.031 19.635 -21.978 92 HE2 MET 13 HE2 MET 13 29.676 21.254 -22.247 93 HE3 MET 13 HE3 MET 13 28.980 20.830 -20.682 94 H ASN 14 H ASN 14 28.561 20.436 -17.583 95 HA ASN 14 HA ASN 14 29.893 22.893 -17.691 96 HB2 ASN 14 HB2 ASN 14 27.973 22.961 -15.715 97 HB3 ASN 14 HB3 ASN 14 29.422 22.501 -14.826 98 HD21 ASN 14 HD21 ASN 14 28.128 24.894 -14.390 99 HD22 ASN 14 HD22 ASN 14 29.139 26.192 -14.919 100 H LEU 15 H LEU 15 31.749 22.876 -15.881 101 HA LEU 15 HA LEU 15 32.611 20.288 -15.028 102 HB2 LEU 15 HB2 LEU 15 33.108 20.744 -17.649 103 HB3 LEU 15 HB3 LEU 15 34.571 21.404 -16.921 104 HG LEU 15 HG LEU 15 33.718 18.680 -16.092 105 HD11 LEU 15 HD11 LEU 15 35.080 19.243 -18.721 106 HD12 LEU 15 HD12 LEU 15 33.425 18.664 -18.532 107 HD13 LEU 15 HD13 LEU 15 34.776 17.656 -18.013 108 HD21 LEU 15 HD21 LEU 15 36.411 18.722 -16.655 109 HD22 LEU 15 HD22 LEU 15 35.680 18.966 -15.068 110 HD23 LEU 15 HD23 LEU 15 36.097 20.357 -16.070 111 H ASN 16 H ASN 16 32.201 22.842 -13.832 112 HA ASN 16 HA ASN 16 34.951 23.451 -12.968 113 HB2 ASN 16 HB2 ASN 16 32.642 25.403 -13.087 114 HB3 ASN 16 HB3 ASN 16 34.297 25.767 -12.608 115 HD21 ASN 16 HD21 ASN 16 35.764 24.498 -14.493 116 HD22 ASN 16 HD22 ASN 16 35.453 25.177 -16.051 117 H PHE 17 H PHE 17 33.043 25.363 -11.200 118 HA PHE 17 HA PHE 17 33.431 24.086 -8.780 119 HB2 PHE 17 HB2 PHE 17 32.494 26.511 -9.481 120 HB3 PHE 17 HB3 PHE 17 30.982 25.744 -9.009 121 HD1 PHE 17 HD1 PHE 17 34.333 26.734 -7.843 122 HD2 PHE 17 HD2 PHE 17 30.475 25.319 -6.734 123 HE1 PHE 17 HE1 PHE 17 34.850 27.185 -5.480 124 HE2 PHE 17 HE2 PHE 17 30.986 25.769 -4.370 125 HZ PHE 17 HZ PHE 17 33.175 26.704 -3.740 126 H GLN 18 H GLN 18 30.793 23.762 -11.067 127 HA GLN 18 HA GLN 18 29.084 22.273 -9.337 128 HB2 GLN 18 HB2 GLN 18 28.843 23.469 -11.837 129 HB3 GLN 18 HB3 GLN 18 28.690 21.749 -12.169 130 HG2 GLN 18 HG2 GLN 18 26.552 21.966 -11.628 131 HG3 GLN 18 HG3 GLN 18 27.092 22.114 -9.957 132 HE21 GLN 18 HE21 GLN 18 26.162 23.886 -12.829 133 HE22 GLN 18 HE22 GLN 18 25.757 25.359 -12.022 134 H ASN 19 H ASN 19 31.685 21.475 -11.516 135 HA ASN 19 HA ASN 19 31.173 18.742 -11.871 136 HB2 ASN 19 HB2 ASN 19 32.986 20.380 -12.914 137 HB3 ASN 19 HB3 ASN 19 33.993 19.690 -11.645 138 HD21 ASN 19 HD21 ASN 19 35.121 17.998 -12.234 139 HD22 ASN 19 HD22 ASN 19 34.696 16.862 -13.465 140 H LEU 20 H LEU 20 33.576 20.200 -9.670 141 HA LEU 20 HA LEU 20 34.005 17.830 -8.202 142 HB2 LEU 20 HB2 LEU 20 35.288 19.150 -6.710 143 HB3 LEU 20 HB3 LEU 20 35.548 19.790 -8.331 144 HG LEU 20 HG LEU 20 33.404 21.167 -6.930 145 HD11 LEU 20 HD11 LEU 20 35.166 22.402 -5.490 146 HD12 LEU 20 HD12 LEU 20 36.082 20.902 -5.627 147 HD13 LEU 20 HD13 LEU 20 34.475 20.891 -4.900 148 HD21 LEU 20 HD21 LEU 20 35.062 23.086 -7.520 149 HD22 LEU 20 HD22 LEU 20 34.199 22.245 -8.808 150 HD23 LEU 20 HD23 LEU 20 35.881 21.838 -8.460 151 H SER 21 H SER 21 31.562 20.254 -8.040 152 HA SER 21 HA SER 21 30.770 19.789 -5.334 153 HB2 SER 21 HB2 SER 21 30.212 21.903 -6.355 154 HB3 SER 21 HB3 SER 21 29.339 21.096 -7.658 155 HG SER 21 HG SER 21 27.881 21.837 -6.109 156 H VAL 22 H VAL 22 29.296 18.907 -8.461 157 HA VAL 22 HA VAL 22 27.241 17.318 -7.448 158 HB VAL 22 HB VAL 22 28.700 17.051 -10.080 159 HG11 VAL 22 HG11 VAL 22 26.506 15.525 -8.885 160 HG12 VAL 22 HG12 VAL 22 26.166 16.140 -10.504 161 HG13 VAL 22 HG13 VAL 22 27.575 15.117 -10.226 162 HG21 VAL 22 HG21 VAL 22 25.995 18.261 -9.763 163 HG22 VAL 22 HG22 VAL 22 27.415 19.222 -9.351 164 HG23 VAL 22 HG23 VAL 22 27.233 18.572 -10.980 165 H MET 23 H MET 23 30.485 16.363 -8.558 166 HA MET 23 HA MET 23 30.113 13.616 -7.849 167 HB2 MET 23 HB2 MET 23 31.907 15.011 -9.422 168 HB3 MET 23 HB3 MET 23 32.886 14.514 -8.048 169 HG2 MET 23 HG2 MET 23 31.631 12.202 -8.567 170 HG3 MET 23 HG3 MET 23 31.653 12.903 -10.183 171 HE1 MET 23 HE1 MET 23 33.727 13.869 -11.279 172 HE2 MET 23 HE2 MET 23 35.221 12.932 -11.278 173 HE3 MET 23 HE3 MET 23 33.705 12.176 -11.772 174 H GLY 24 H GLY 24 31.952 16.317 -6.436 175 HA2 GLY 24 HA2 GLY 24 33.065 14.948 -4.276 176 HA3 GLY 24 HA3 GLY 24 32.714 16.670 -4.301 177 H LEU 25 H LEU 25 30.087 16.913 -4.283 178 HA LEU 25 HA LEU 25 29.344 16.325 -1.647 179 HB2 LEU 25 HB2 LEU 25 27.653 17.072 -4.026 180 HB3 LEU 25 HB3 LEU 25 27.065 17.024 -2.365 181 HG LEU 25 HG LEU 25 28.863 18.999 -3.691 182 HD11 LEU 25 HD11 LEU 25 26.533 19.549 -3.493 183 HD12 LEU 25 HD12 LEU 25 27.454 20.554 -2.375 184 HD13 LEU 25 HD13 LEU 25 26.547 19.168 -1.770 185 HD21 LEU 25 HD21 LEU 25 29.285 19.800 -1.250 186 HD22 LEU 25 HD22 LEU 25 30.313 18.551 -1.954 187 HD23 LEU 25 HD23 LEU 25 29.015 18.105 -0.845 188 H ARG 26 H ARG 26 28.353 14.812 -4.707 189 HA ARG 26 HA ARG 26 26.586 12.933 -3.605 190 HB2 ARG 26 HB2 ARG 26 26.658 13.453 -6.000 191 HB3 ARG 26 HB3 ARG 26 28.256 12.729 -6.117 192 HG2 ARG 26 HG2 ARG 26 27.407 10.695 -6.362 193 HG3 ARG 26 HG3 ARG 26 26.353 10.891 -4.960 194 HD2 ARG 26 HD2 ARG 26 24.576 11.498 -6.216 195 HD3 ARG 26 HD3 ARG 26 25.566 12.385 -7.375 196 HE ARG 26 HE ARG 26 26.016 9.613 -7.648 197 HH11 ARG 26 HH11 ARG 26 23.616 12.054 -8.282 198 HH12 ARG 26 HH12 ARG 26 22.923 11.209 -9.627 199 HH21 ARG 26 HH21 ARG 26 25.112 8.490 -9.416 200 HH22 ARG 26 HH22 ARG 26 23.774 9.182 -10.270 201 H ILE 27 H ILE 27 30.067 12.919 -3.986 202 HA ILE 27 HA ILE 27 30.474 10.161 -3.476 203 HB ILE 27 HB ILE 27 32.146 12.524 -3.793 204 HG12 ILE 27 HG12 ILE 27 33.637 10.890 -4.855 205 HG13 ILE 27 HG13 ILE 27 32.659 9.572 -4.219 206 HG21 ILE 27 HG21 ILE 27 32.787 12.162 -1.517 207 HG22 ILE 27 HG22 ILE 27 32.970 10.431 -1.791 208 HG23 ILE 27 HG23 ILE 27 34.085 11.566 -2.551 209 HD11 ILE 27 HD11 ILE 27 30.900 11.242 -5.619 210 HD12 ILE 27 HD12 ILE 27 32.335 11.067 -6.629 211 HD13 ILE 27 HD13 ILE 27 31.467 9.636 -6.074 212 H LEU 28 H LEU 28 30.192 12.989 -1.412 213 HA LEU 28 HA LEU 28 31.039 11.671 0.977 214 HB2 LEU 28 HB2 LEU 28 29.496 14.218 0.524 215 HB3 LEU 28 HB3 LEU 28 30.044 13.663 2.105 216 HG LEU 28 HG LEU 28 31.798 14.454 -0.220 217 HD11 LEU 28 HD11 LEU 28 30.540 16.225 1.173 218 HD12 LEU 28 HD12 LEU 28 32.275 16.416 0.921 219 HD13 LEU 28 HD13 LEU 28 31.671 15.791 2.455 220 HD21 LEU 28 HD21 LEU 28 32.396 13.243 2.454 221 HD22 LEU 28 HD22 LEU 28 33.569 14.285 1.647 222 HD23 LEU 28 HD23 LEU 28 33.021 12.801 0.865 223 H LEU 29 H LEU 29 27.881 12.523 -0.399 224 HA LEU 29 HA LEU 29 26.259 11.656 1.684 225 HB2 LEU 29 HB2 LEU 29 25.002 12.730 0.145 226 HB3 LEU 29 HB3 LEU 29 25.939 12.105 -1.211 227 HG LEU 29 HG LEU 29 24.175 10.193 0.214 228 HD11 LEU 29 HD11 LEU 29 22.497 11.733 0.116 229 HD12 LEU 29 HD12 LEU 29 22.380 11.069 -1.514 230 HD13 LEU 29 HD13 LEU 29 23.216 12.598 -1.243 231 HD21 LEU 29 HD21 LEU 29 23.783 9.934 -2.466 232 HD22 LEU 29 HD22 LEU 29 25.011 9.071 -1.539 233 HD23 LEU 29 HD23 LEU 29 25.436 10.547 -2.409 234 H LEU 30 H LEU 30 27.565 9.831 -1.061 235 HA LEU 30 HA LEU 30 26.297 7.382 -0.346 236 HB2 LEU 30 HB2 LEU 30 27.700 8.346 -2.531 237 HB3 LEU 30 HB3 LEU 30 28.747 7.089 -1.876 238 HG LEU 30 HG LEU 30 26.970 5.450 -2.112 239 HD11 LEU 30 HD11 LEU 30 25.355 7.808 -3.047 240 HD12 LEU 30 HD12 LEU 30 25.007 6.705 -1.716 241 HD13 LEU 30 HD13 LEU 30 24.903 6.136 -3.382 242 HD21 LEU 30 HD21 LEU 30 26.617 5.914 -4.725 243 HD22 LEU 30 HD22 LEU 30 28.135 5.325 -4.048 244 HD23 LEU 30 HD23 LEU 30 27.937 7.041 -4.408 245 H LYS 31 H LYS 31 29.247 8.959 0.570 246 HA LYS 31 HA LYS 31 30.507 6.614 1.648 247 HB2 LYS 31 HB2 LYS 31 31.685 8.714 0.819 248 HB3 LYS 31 HB3 LYS 31 31.170 9.480 2.316 249 HG2 LYS 31 HG2 LYS 31 32.697 8.391 3.555 250 HG3 LYS 31 HG3 LYS 31 32.540 6.897 2.628 251 HD2 LYS 31 HD2 LYS 31 34.155 7.491 1.140 252 HD3 LYS 31 HD3 LYS 31 33.781 9.212 1.255 253 HE2 LYS 31 HE2 LYS 31 34.720 8.451 3.786 254 HE3 LYS 31 HE3 LYS 31 35.797 7.682 2.622 255 HZ1 LYS 31 HZ1 LYS 31 35.496 10.197 1.645 256 HZ2 LYS 31 HZ2 LYS 31 36.815 9.645 2.548 257 HZ3 LYS 31 HZ3 LYS 31 35.543 10.452 3.317 258 H VAL 32 H VAL 32 28.416 9.147 2.847 259 HA VAL 32 HA VAL 32 28.756 8.332 5.613 260 HB VAL 32 HB VAL 32 27.144 10.090 6.144 261 HG11 VAL 32 HG11 VAL 32 29.651 10.486 4.786 262 HG12 VAL 32 HG12 VAL 32 28.571 11.855 4.515 263 HG13 VAL 32 HG13 VAL 32 28.970 11.357 6.160 264 HG21 VAL 32 HG21 VAL 32 25.687 9.854 4.202 265 HG22 VAL 32 HG22 VAL 32 26.224 11.524 4.386 266 HG23 VAL 32 HG23 VAL 32 26.959 10.491 3.159 267 H ALA 33 H ALA 33 26.517 7.870 2.983 268 HA ALA 33 HA ALA 33 24.577 6.566 4.741 269 HB1 ALA 33 HB1 ALA 33 23.091 6.553 2.838 270 HB2 ALA 33 HB2 ALA 33 23.769 8.168 3.046 271 HB3 ALA 33 HB3 ALA 33 24.389 7.107 1.781 272 H GLY 34 H GLY 34 27.256 5.772 2.872 273 HA2 GLY 34 HA2 GLY 34 26.296 3.002 2.515 274 HA3 GLY 34 HA3 GLY 34 27.531 3.757 1.518 275 H PHE 35 H PHE 35 28.896 4.998 3.770 276 HA PHE 35 HA PHE 35 29.943 2.626 5.156 277 HB2 PHE 35 HB2 PHE 35 31.666 4.841 4.032 278 HB3 PHE 35 HB3 PHE 35 32.217 3.364 4.815 279 HD1 PHE 35 HD1 PHE 35 31.087 1.171 3.642 280 HD2 PHE 35 HD2 PHE 35 31.943 4.895 1.767 281 HE1 PHE 35 HE1 PHE 35 31.180 0.045 1.456 282 HE2 PHE 35 HE2 PHE 35 32.037 3.776 -0.422 283 HZ PHE 35 HZ PHE 35 31.654 1.348 -0.580 284 H ASN 36 H ASN 36 28.281 3.784 6.647 285 HA ASN 36 HA ASN 36 29.612 4.802 8.848 286 HB2 ASN 36 HB2 ASN 36 30.131 6.837 7.811 287 HB3 ASN 36 HB3 ASN 36 28.584 6.912 6.972 288 HD21 ASN 36 HD21 ASN 36 27.553 8.635 7.677 289 HD22 ASN 36 HD22 ASN 36 27.352 9.091 9.331 290 H LEU 37 H LEU 37 26.635 6.104 7.406 291 HA LEU 37 HA LEU 37 25.112 5.589 9.750 292 HB2 LEU 37 HB2 LEU 37 24.372 7.398 8.490 293 HB3 LEU 37 HB3 LEU 37 24.468 6.504 6.975 294 HG LEU 37 HG LEU 37 22.491 5.508 8.924 295 HD11 LEU 37 HD11 LEU 37 21.649 7.888 7.365 296 HD12 LEU 37 HD12 LEU 37 22.532 8.152 8.868 297 HD13 LEU 37 HD13 LEU 37 21.020 7.244 8.881 298 HD21 LEU 37 HD21 LEU 37 23.030 5.419 6.114 299 HD22 LEU 37 HD22 LEU 37 21.401 6.038 6.386 300 HD23 LEU 37 HD23 LEU 37 21.875 4.478 7.058 301 H LEU 38 H LEU 38 25.410 3.978 6.620 302 HA LEU 38 HA LEU 38 23.342 2.150 6.807 303 HB2 LEU 38 HB2 LEU 38 24.376 2.122 4.763 304 HB3 LEU 38 HB3 LEU 38 25.994 2.167 5.462 305 HG LEU 38 HG LEU 38 24.461 -0.312 5.928 306 HD11 LEU 38 HD11 LEU 38 24.076 0.560 3.481 307 HD12 LEU 38 HD12 LEU 38 24.455 -1.133 3.793 308 HD13 LEU 38 HD13 LEU 38 25.720 -0.033 3.246 309 HD21 LEU 38 HD21 LEU 38 27.124 0.584 6.052 310 HD22 LEU 38 HD22 LEU 38 27.056 -0.609 4.755 311 HD23 LEU 38 HD23 LEU 38 26.509 -1.037 6.377 312 H MET 39 H MET 39 26.465 2.147 8.382 313 HA MET 39 HA MET 39 26.298 -0.559 9.306 314 HB2 MET 39 HB2 MET 39 28.191 1.647 9.473 315 HB3 MET 39 HB3 MET 39 28.064 0.768 10.991 316 HG2 MET 39 HG2 MET 39 28.911 -1.162 10.108 317 HG3 MET 39 HG3 MET 39 28.374 -0.780 8.474 318 HE1 MET 39 HE1 MET 39 31.883 -1.456 9.874 319 HE2 MET 39 HE2 MET 39 30.723 -2.118 8.722 320 HE3 MET 39 HE3 MET 39 32.140 -1.241 8.142 321 H THR 40 H THR 40 25.792 2.626 10.795 322 HA THR 40 HA THR 40 25.114 1.644 13.359 323 HB THR 40 HB THR 40 23.780 4.140 12.766 324 HG1 THR 40 HG1 THR 40 25.447 5.287 11.934 325 HG21 THR 40 HG21 THR 40 26.101 3.327 14.512 326 HG22 THR 40 HG22 THR 40 24.424 3.580 14.996 327 HG23 THR 40 HG23 THR 40 25.414 4.950 14.497 328 H LEU 41 H LEU 41 23.015 2.988 10.802 329 HA LEU 41 HA LEU 41 20.574 2.435 11.992 330 HB2 LEU 41 HB2 LEU 41 20.551 3.823 10.108 331 HB3 LEU 41 HB3 LEU 41 21.431 2.653 9.128 332 HG LEU 41 HG LEU 41 18.719 1.903 10.089 333 HD11 LEU 41 HD11 LEU 41 18.803 3.390 7.547 334 HD12 LEU 41 HD12 LEU 41 18.937 4.358 9.014 335 HD13 LEU 41 HD13 LEU 41 17.542 3.307 8.777 336 HD21 LEU 41 HD21 LEU 41 19.331 1.457 7.314 337 HD22 LEU 41 HD22 LEU 41 18.986 0.287 8.589 338 HD23 LEU 41 HD23 LEU 41 20.636 0.861 8.340 339 H ARG 42 H ARG 42 22.740 0.325 10.241 340 HA ARG 42 HA ARG 42 21.094 -1.782 9.574 341 HB2 ARG 42 HB2 ARG 42 23.916 -1.360 9.921 342 HB3 ARG 42 HB3 ARG 42 23.473 -2.933 10.571 343 HG2 ARG 42 HG2 ARG 42 22.324 -3.403 8.392 344 HG3 ARG 42 HG3 ARG 42 23.048 -1.916 7.775 345 HD2 ARG 42 HD2 ARG 42 24.657 -3.380 7.118 346 HD3 ARG 42 HD3 ARG 42 25.248 -3.046 8.745 347 HE ARG 42 HE ARG 42 23.532 -5.195 8.976 348 HH11 ARG 42 HH11 ARG 42 26.491 -4.468 7.292 349 HH12 ARG 42 HH12 ARG 42 27.057 -6.105 7.312 350 HH21 ARG 42 HH21 ARG 42 24.267 -7.354 9.008 351 HH22 ARG 42 HH22 ARG 42 25.791 -7.746 8.287 352 H LEU 43 H LEU 43 22.280 -0.835 12.716 353 HA LEU 43 HA LEU 43 20.932 -3.166 13.909 354 HB2 LEU 43 HB2 LEU 43 23.239 -1.492 14.858 355 HB3 LEU 43 HB3 LEU 43 22.337 -2.547 15.944 356 HG LEU 43 HG LEU 43 23.943 -3.402 13.537 357 HD11 LEU 43 HD11 LEU 43 24.751 -2.805 16.138 358 HD12 LEU 43 HD12 LEU 43 25.661 -3.688 14.912 359 HD13 LEU 43 HD13 LEU 43 24.662 -4.566 16.071 360 HD21 LEU 43 HD21 LEU 43 22.237 -4.971 15.459 361 HD22 LEU 43 HD22 LEU 43 23.453 -5.701 14.411 362 HD23 LEU 43 HD23 LEU 43 22.070 -4.862 13.707 363 H TRP 44 H TRP 44 21.171 0.307 13.855 364 HA TRP 44 HA TRP 44 19.192 0.533 16.007 365 HB2 TRP 44 HB2 TRP 44 21.163 1.957 16.226 366 HB3 TRP 44 HB3 TRP 44 20.861 2.652 14.636 367 HD1 TRP 44 HD1 TRP 44 17.958 2.144 17.063 368 HE1 TRP 44 HE1 TRP 44 17.084 4.450 17.801 369 HE3 TRP 44 HE3 TRP 44 21.583 5.089 14.985 370 HZ2 TRP 44 HZ2 TRP 44 17.832 7.158 17.536 371 HZ3 TRP 44 HZ3 TRP 44 21.430 7.528 15.273 372 HH2 TRP 44 HH2 TRP 44 19.593 8.539 16.522 373 H SER 45 H SER 45 17.128 1.028 15.616 374 HA SER 45 HA SER 45 15.961 0.875 13.126 375 HB2 SER 45 HB2 SER 45 15.045 2.147 15.695 376 HB3 SER 45 HB3 SER 45 14.034 2.191 14.250 377 HG SER 45 HG SER 45 14.612 0.099 15.934 378 H SER 46 H SER 46 15.547 2.242 11.482 379 HA SER 46 HA SER 46 15.823 4.043 10.113 380 HB2 SER 46 HB2 SER 46 14.305 4.836 12.317 381 HB3 SER 46 HB3 SER 46 15.498 6.120 12.120 382 HG SER 46 HG SER 46 14.147 6.777 10.641 Start of MODEL 3 1 H1 ASP 1 H ASP 1 7.692 -0.498 -1.183 2 HA ASP 1 HA ASP 1 8.249 1.282 -2.492 3 HB2 ASP 1 HB2 ASP 1 6.074 0.936 -3.442 4 HB3 ASP 1 HB3 ASP 1 5.294 1.770 -2.101 5 H ALA 2 H ALA 2 9.474 2.944 -1.932 6 HA ALA 2 HA ALA 2 8.429 5.154 -0.418 7 HB1 ALA 2 HB1 ALA 2 9.584 3.077 1.047 8 HB2 ALA 2 HB2 ALA 2 10.814 4.339 0.975 9 HB3 ALA 2 HB3 ALA 2 9.212 4.707 1.612 10 H THR 3 H THR 3 10.579 6.546 0.255 11 HA THR 3 HA THR 3 11.577 7.547 -2.146 12 HB THR 3 HB THR 3 13.284 7.925 0.246 13 HG1 THR 3 HG1 THR 3 11.650 9.269 1.203 14 HG21 THR 3 HG21 THR 3 12.613 9.306 -2.153 15 HG22 THR 3 HG22 THR 3 13.813 9.738 -0.934 16 HG23 THR 3 HG23 THR 3 12.155 10.318 -0.784 17 H LEU 4 H LEU 4 13.401 7.214 -3.324 18 HA LEU 4 HA LEU 4 15.634 5.715 -2.383 19 HB2 LEU 4 HB2 LEU 4 13.454 4.297 -3.645 20 HB3 LEU 4 HB3 LEU 4 14.947 4.128 -4.567 21 HG LEU 4 HG LEU 4 14.906 3.575 -1.622 22 HD11 LEU 4 HD11 LEU 4 14.259 1.339 -1.948 23 HD12 LEU 4 HD12 LEU 4 14.360 1.478 -3.702 24 HD13 LEU 4 HD13 LEU 4 13.070 2.301 -2.825 25 HD21 LEU 4 HD21 LEU 4 16.700 3.118 -3.921 26 HD22 LEU 4 HD22 LEU 4 16.593 1.812 -2.741 27 HD23 LEU 4 HD23 LEU 4 17.078 3.429 -2.227 28 H THR 5 H THR 5 13.929 6.275 -5.469 29 HA THR 5 HA THR 5 16.164 6.636 -7.067 30 HB THR 5 HB THR 5 14.652 8.030 -8.539 31 HG1 THR 5 HG1 THR 5 13.349 8.632 -6.541 32 HG21 THR 5 HG21 THR 5 13.990 5.275 -7.586 33 HG22 THR 5 HG22 THR 5 14.656 5.796 -9.134 34 HG23 THR 5 HG23 THR 5 12.950 6.060 -8.773 35 H GLU 6 H GLU 6 16.938 8.660 -8.080 36 HA GLU 6 HA GLU 6 17.318 10.707 -6.023 37 HB2 GLU 6 HB2 GLU 6 18.859 9.868 -8.450 38 HB3 GLU 6 HB3 GLU 6 19.075 11.490 -7.808 39 HG2 GLU 6 HG2 GLU 6 20.205 10.774 -6.001 40 HG3 GLU 6 HG3 GLU 6 19.236 9.312 -5.839 41 H LYS 7 H LYS 7 16.592 10.458 -9.498 42 HA LYS 7 HA LYS 7 15.423 11.805 -10.911 43 HB2 LYS 7 HB2 LYS 7 14.233 13.004 -8.405 44 HB3 LYS 7 HB3 LYS 7 13.556 13.064 -10.027 45 HG2 LYS 7 HG2 LYS 7 13.374 10.574 -9.957 46 HG3 LYS 7 HG3 LYS 7 13.854 10.648 -8.259 47 HD2 LYS 7 HD2 LYS 7 11.645 12.436 -9.043 48 HD3 LYS 7 HD3 LYS 7 11.290 10.708 -9.111 49 HE2 LYS 7 HE2 LYS 7 12.276 10.592 -6.759 50 HE3 LYS 7 HE3 LYS 7 12.164 12.351 -6.750 51 HZ1 LYS 7 HZ1 LYS 7 9.747 11.021 -7.583 52 HZ2 LYS 7 HZ2 LYS 7 9.961 12.281 -6.475 53 HZ3 LYS 7 HZ3 LYS 7 10.198 10.678 -5.988 54 H SER 8 H SER 8 16.899 13.083 -11.880 55 HA SER 8 HA SER 8 17.730 15.539 -10.489 56 HB2 SER 8 HB2 SER 8 19.626 15.599 -12.053 57 HB3 SER 8 HB3 SER 8 19.579 14.069 -11.177 58 HG SER 8 HG SER 8 19.635 14.399 -13.770 59 H PHE 9 H PHE 9 18.492 17.155 -12.471 60 HA PHE 9 HA PHE 9 16.826 17.342 -14.716 61 HB2 PHE 9 HB2 PHE 9 15.300 17.802 -12.555 62 HB3 PHE 9 HB3 PHE 9 15.927 19.428 -12.805 63 HD1 PHE 9 HD1 PHE 9 14.126 16.659 -14.482 64 HD2 PHE 9 HD2 PHE 9 15.028 20.818 -14.452 65 HE1 PHE 9 HE1 PHE 9 12.437 17.035 -16.231 66 HE2 PHE 9 HE2 PHE 9 13.340 21.201 -16.200 67 HZ PHE 9 HZ PHE 9 12.041 19.308 -17.092 68 H GLU 10 H GLU 10 18.124 19.516 -12.203 69 HA GLU 10 HA GLU 10 19.101 21.372 -14.171 70 HB2 GLU 10 HB2 GLU 10 19.769 21.319 -11.229 71 HB3 GLU 10 HB3 GLU 10 19.852 22.693 -12.324 72 HG2 GLU 10 HG2 GLU 10 17.329 22.384 -12.606 73 HG3 GLU 10 HG3 GLU 10 17.431 21.359 -11.175 74 H THR 11 H THR 11 20.451 19.858 -15.351 75 HA THR 11 HA THR 11 22.953 19.143 -13.986 76 HB THR 11 HB THR 11 22.417 18.203 -16.757 77 HG1 THR 11 HG1 THR 11 21.147 17.044 -14.482 78 HG21 THR 11 HG21 THR 11 23.630 17.016 -14.264 79 HG22 THR 11 HG22 THR 11 24.460 17.506 -15.740 80 HG23 THR 11 HG23 THR 11 23.387 16.108 -15.754 81 H ASP 12 H ASP 12 24.106 21.040 -14.069 82 HA ASP 12 HA ASP 12 24.271 22.818 -16.203 83 HB2 ASP 12 HB2 ASP 12 26.033 22.185 -13.874 84 HB3 ASP 12 HB3 ASP 12 26.659 23.233 -15.144 85 H MET 13 H MET 13 26.042 19.848 -15.577 86 HA MET 13 HA MET 13 27.452 18.600 -16.852 87 HB2 MET 13 HB2 MET 13 25.852 20.054 -18.933 88 HB3 MET 13 HB3 MET 13 27.168 18.990 -19.409 89 HG2 MET 13 HG2 MET 13 25.401 17.736 -17.489 90 HG3 MET 13 HG3 MET 13 24.545 18.271 -18.933 91 HE1 MET 13 HE1 MET 13 26.636 16.994 -21.708 92 HE2 MET 13 HE2 MET 13 25.018 16.320 -21.519 93 HE3 MET 13 HE3 MET 13 25.319 18.014 -21.128 94 H ASN 14 H ASN 14 28.647 20.774 -15.701 95 HA ASN 14 HA ASN 14 30.343 21.945 -17.790 96 HB2 ASN 14 HB2 ASN 14 29.136 23.079 -15.557 97 HB3 ASN 14 HB3 ASN 14 30.823 22.905 -15.084 98 HD21 ASN 14 HD21 ASN 14 28.915 23.922 -17.899 99 HD22 ASN 14 HD22 ASN 14 29.892 25.297 -18.275 100 H LEU 15 H LEU 15 32.611 22.528 -16.418 101 HA LEU 15 HA LEU 15 33.606 20.007 -15.311 102 HB2 LEU 15 HB2 LEU 15 34.062 20.674 -17.923 103 HB3 LEU 15 HB3 LEU 15 35.488 21.330 -17.123 104 HG LEU 15 HG LEU 15 34.733 18.524 -16.508 105 HD11 LEU 15 HD11 LEU 15 36.466 18.748 -18.837 106 HD12 LEU 15 HD12 LEU 15 34.813 19.279 -19.145 107 HD13 LEU 15 HD13 LEU 15 35.116 17.656 -18.527 108 HD21 LEU 15 HD21 LEU 15 37.367 19.911 -16.997 109 HD22 LEU 15 HD22 LEU 15 37.147 18.261 -16.411 110 HD23 LEU 15 HD23 LEU 15 36.635 19.627 -15.418 111 H ASN 16 H ASN 16 32.961 22.481 -14.036 112 HA ASN 16 HA ASN 16 35.644 23.280 -13.120 113 HB2 ASN 16 HB2 ASN 16 33.210 25.072 -13.261 114 HB3 ASN 16 HB3 ASN 16 34.824 25.540 -12.736 115 HD21 ASN 16 HD21 ASN 16 36.060 26.470 -14.191 116 HD22 ASN 16 HD22 ASN 16 35.877 26.354 -15.906 117 H PHE 17 H PHE 17 33.567 25.027 -11.367 118 HA PHE 17 HA PHE 17 33.944 23.550 -8.998 119 HB2 PHE 17 HB2 PHE 17 32.360 25.963 -9.761 120 HB3 PHE 17 HB3 PHE 17 32.009 25.186 -8.220 121 HD1 PHE 17 HD1 PHE 17 34.989 26.277 -10.186 122 HD2 PHE 17 HD2 PHE 17 33.103 25.997 -6.381 123 HE1 PHE 17 HE1 PHE 17 36.887 27.462 -9.163 124 HE2 PHE 17 HE2 PHE 17 34.997 27.183 -5.352 125 HZ PHE 17 HZ PHE 17 36.892 27.918 -6.743 126 H GLN 18 H GLN 18 31.278 23.740 -11.277 127 HA GLN 18 HA GLN 18 29.265 22.526 -9.808 128 HB2 GLN 18 HB2 GLN 18 29.894 22.515 -12.749 129 HB3 GLN 18 HB3 GLN 18 28.486 21.676 -12.109 130 HG2 GLN 18 HG2 GLN 18 29.074 24.619 -11.896 131 HG3 GLN 18 HG3 GLN 18 27.857 23.854 -12.917 132 HE21 GLN 18 HE21 GLN 18 26.568 22.157 -11.384 133 HE22 GLN 18 HE22 GLN 18 25.850 22.929 -10.016 134 H ASN 19 H ASN 19 31.872 21.049 -11.688 135 HA ASN 19 HA ASN 19 31.063 18.390 -11.543 136 HB2 ASN 19 HB2 ASN 19 33.112 19.586 -12.738 137 HB3 ASN 19 HB3 ASN 19 33.970 19.025 -11.306 138 HD21 ASN 19 HD21 ASN 19 31.666 17.826 -13.723 139 HD22 ASN 19 HD22 ASN 19 32.405 16.274 -13.903 140 H LEU 20 H LEU 20 33.420 20.033 -9.425 141 HA LEU 20 HA LEU 20 33.600 17.915 -7.571 142 HB2 LEU 20 HB2 LEU 20 34.410 20.770 -7.632 143 HB3 LEU 20 HB3 LEU 20 34.358 19.967 -6.064 144 HG LEU 20 HG LEU 20 36.609 19.987 -7.079 145 HD11 LEU 20 HD11 LEU 20 36.188 17.145 -7.187 146 HD12 LEU 20 HD12 LEU 20 35.263 17.862 -5.868 147 HD13 LEU 20 HD13 LEU 20 37.006 18.114 -5.960 148 HD21 LEU 20 HD21 LEU 20 37.130 18.841 -9.056 149 HD22 LEU 20 HD22 LEU 20 35.676 19.761 -9.443 150 HD23 LEU 20 HD23 LEU 20 35.562 18.034 -9.105 151 H SER 21 H SER 21 31.275 20.407 -8.023 152 HA SER 21 HA SER 21 30.253 20.446 -5.354 153 HB2 SER 21 HB2 SER 21 29.984 22.259 -7.153 154 HB3 SER 21 HB3 SER 21 28.708 21.240 -7.821 155 HG SER 21 HG SER 21 28.814 22.332 -5.202 156 H VAL 22 H VAL 22 28.993 19.079 -8.399 157 HA VAL 22 HA VAL 22 26.904 17.638 -7.090 158 HB VAL 22 HB VAL 22 26.574 16.535 -9.282 159 HG11 VAL 22 HG11 VAL 22 25.317 18.453 -9.157 160 HG12 VAL 22 HG12 VAL 22 26.729 19.501 -9.016 161 HG13 VAL 22 HG13 VAL 22 26.304 18.798 -10.576 162 HG21 VAL 22 HG21 VAL 22 29.227 17.727 -9.773 163 HG22 VAL 22 HG22 VAL 22 28.501 16.260 -10.431 164 HG23 VAL 22 HG23 VAL 22 28.073 17.833 -11.104 165 H MET 23 H MET 23 30.115 16.815 -8.303 166 HA MET 23 HA MET 23 29.842 14.014 -7.754 167 HB2 MET 23 HB2 MET 23 31.363 14.951 -9.500 168 HB3 MET 23 HB3 MET 23 32.371 15.603 -8.215 169 HG2 MET 23 HG2 MET 23 33.353 13.643 -7.836 170 HG3 MET 23 HG3 MET 23 31.827 12.764 -7.905 171 HE1 MET 23 HE1 MET 23 34.783 12.013 -8.852 172 HE2 MET 23 HE2 MET 23 33.598 10.747 -9.176 173 HE3 MET 23 HE3 MET 23 34.658 11.315 -10.468 174 H GLY 24 H GLY 24 31.367 16.771 -6.137 175 HA2 GLY 24 HA2 GLY 24 32.613 15.325 -4.066 176 HA3 GLY 24 HA3 GLY 24 32.177 17.027 -4.006 177 H LEU 25 H LEU 25 29.431 16.901 -4.199 178 HA LEU 25 HA LEU 25 28.729 16.202 -1.531 179 HB2 LEU 25 HB2 LEU 25 27.079 17.629 -1.919 180 HB3 LEU 25 HB3 LEU 25 27.674 17.802 -3.569 181 HG LEU 25 HG LEU 25 25.771 15.595 -2.888 182 HD11 LEU 25 HD11 LEU 25 24.791 17.666 -1.987 183 HD12 LEU 25 HD12 LEU 25 23.892 17.037 -3.367 184 HD13 LEU 25 HD13 LEU 25 24.969 18.419 -3.572 185 HD21 LEU 25 HD21 LEU 25 26.082 15.234 -5.059 186 HD22 LEU 25 HD22 LEU 25 26.969 16.746 -5.253 187 HD23 LEU 25 HD23 LEU 25 25.207 16.737 -5.359 188 H ARG 26 H ARG 26 28.343 14.668 -4.653 189 HA ARG 26 HA ARG 26 26.478 12.690 -3.768 190 HB2 ARG 26 HB2 ARG 26 28.076 13.177 -6.235 191 HB3 ARG 26 HB3 ARG 26 27.455 11.554 -5.964 192 HG2 ARG 26 HG2 ARG 26 25.360 13.414 -5.477 193 HG3 ARG 26 HG3 ARG 26 26.110 13.796 -7.028 194 HD2 ARG 26 HD2 ARG 26 25.381 10.977 -6.321 195 HD3 ARG 26 HD3 ARG 26 24.172 12.089 -6.960 196 HE ARG 26 HE ARG 26 26.250 10.794 -8.421 197 HH11 ARG 26 HH11 ARG 26 24.321 13.686 -8.260 198 HH12 ARG 26 HH12 ARG 26 24.466 14.033 -9.952 199 HH21 ARG 26 HH21 ARG 26 26.448 11.239 -10.649 200 HH22 ARG 26 HH22 ARG 26 25.675 12.640 -11.310 201 H ILE 27 H ILE 27 29.982 12.826 -4.171 202 HA ILE 27 HA ILE 27 30.477 10.091 -3.643 203 HB ILE 27 HB ILE 27 32.084 12.514 -3.958 204 HG12 ILE 27 HG12 ILE 27 33.554 10.960 -5.148 205 HG13 ILE 27 HG13 ILE 27 32.643 9.592 -4.517 206 HG21 ILE 27 HG21 ILE 27 34.081 11.507 -2.828 207 HG22 ILE 27 HG22 ILE 27 32.827 12.090 -1.736 208 HG23 ILE 27 HG23 ILE 27 32.984 10.363 -2.054 209 HD11 ILE 27 HD11 ILE 27 32.246 10.745 -6.936 210 HD12 ILE 27 HD12 ILE 27 31.041 9.800 -6.060 211 HD13 ILE 27 HD13 ILE 27 31.027 11.560 -5.956 212 H LEU 28 H LEU 28 30.199 12.932 -1.588 213 HA LEU 28 HA LEU 28 31.122 11.658 0.788 214 HB2 LEU 28 HB2 LEU 28 31.304 13.938 0.933 215 HB3 LEU 28 HB3 LEU 28 29.767 14.219 0.117 216 HG LEU 28 HG LEU 28 29.680 13.004 2.825 217 HD11 LEU 28 HD11 LEU 28 30.627 15.772 2.227 218 HD12 LEU 28 HD12 LEU 28 31.184 14.633 3.453 219 HD13 LEU 28 HD13 LEU 28 29.643 15.467 3.659 220 HD21 LEU 28 HD21 LEU 28 27.875 14.120 0.980 221 HD22 LEU 28 HD22 LEU 28 27.945 15.232 2.347 222 HD23 LEU 28 HD23 LEU 28 27.537 13.536 2.609 223 H LEU 29 H LEU 29 27.916 12.337 -0.559 224 HA LEU 29 HA LEU 29 26.360 11.456 1.572 225 HB2 LEU 29 HB2 LEU 29 25.036 12.441 0.029 226 HB3 LEU 29 HB3 LEU 29 25.981 11.828 -1.327 227 HG LEU 29 HG LEU 29 24.319 9.874 0.163 228 HD11 LEU 29 HD11 LEU 29 22.813 11.778 -0.011 229 HD12 LEU 29 HD12 LEU 29 22.322 10.485 -1.104 230 HD13 LEU 29 HD13 LEU 29 23.154 11.905 -1.737 231 HD21 LEU 29 HD21 LEU 29 25.533 10.221 -2.482 232 HD22 LEU 29 HD22 LEU 29 23.909 9.533 -2.504 233 HD23 LEU 29 HD23 LEU 29 25.186 8.750 -1.573 234 H LEU 30 H LEU 30 27.710 9.629 -1.150 235 HA LEU 30 HA LEU 30 26.555 7.144 -0.373 236 HB2 LEU 30 HB2 LEU 30 27.904 8.119 -2.586 237 HB3 LEU 30 HB3 LEU 30 29.009 6.924 -1.909 238 HG LEU 30 HG LEU 30 27.306 5.204 -2.101 239 HD11 LEU 30 HD11 LEU 30 25.288 6.365 -1.721 240 HD12 LEU 30 HD12 LEU 30 25.205 5.781 -3.382 241 HD13 LEU 30 HD13 LEU 30 25.583 7.473 -3.061 242 HD21 LEU 30 HD21 LEU 30 28.209 6.779 -4.426 243 HD22 LEU 30 HD22 LEU 30 26.913 5.621 -4.726 244 HD23 LEU 30 HD23 LEU 30 28.446 5.074 -4.045 245 H LYS 31 H LYS 31 29.444 8.863 0.490 246 HA LYS 31 HA LYS 31 30.791 6.590 1.623 247 HB2 LYS 31 HB2 LYS 31 31.332 9.459 1.273 248 HB3 LYS 31 HB3 LYS 31 31.997 8.774 2.750 249 HG2 LYS 31 HG2 LYS 31 33.004 6.965 1.285 250 HG3 LYS 31 HG3 LYS 31 32.572 7.986 -0.088 251 HD2 LYS 31 HD2 LYS 31 33.990 9.734 0.647 252 HD3 LYS 31 HD3 LYS 31 34.206 8.988 2.232 253 HE2 LYS 31 HE2 LYS 31 36.109 8.169 1.384 254 HE3 LYS 31 HE3 LYS 31 35.072 7.020 0.540 255 HZ1 LYS 31 HZ1 LYS 31 36.352 7.900 -1.145 256 HZ2 LYS 31 HZ2 LYS 31 36.354 9.461 -0.495 257 HZ3 LYS 31 HZ3 LYS 31 34.960 8.857 -1.240 258 H VAL 32 H VAL 32 28.671 9.130 2.771 259 HA VAL 32 HA VAL 32 29.048 8.394 5.553 260 HB VAL 32 HB VAL 32 27.441 10.151 6.062 261 HG11 VAL 32 HG11 VAL 32 28.769 11.898 4.352 262 HG12 VAL 32 HG12 VAL 32 29.266 11.422 5.977 263 HG13 VAL 32 HG13 VAL 32 29.884 10.550 4.573 264 HG21 VAL 32 HG21 VAL 32 26.505 11.537 4.227 265 HG22 VAL 32 HG22 VAL 32 27.121 10.357 3.069 266 HG23 VAL 32 HG23 VAL 32 25.890 9.884 4.240 267 H ALA 33 H ALA 33 26.743 7.888 2.973 268 HA ALA 33 HA ALA 33 24.878 6.560 4.794 269 HB1 ALA 33 HB1 ALA 33 23.361 6.485 2.871 270 HB2 ALA 33 HB2 ALA 33 23.924 8.125 3.195 271 HB3 ALA 33 HB3 ALA 33 24.614 7.203 1.859 272 H GLY 34 H GLY 34 27.525 5.785 2.909 273 HA2 GLY 34 HA2 GLY 34 26.583 3.002 2.587 274 HA3 GLY 34 HA3 GLY 34 27.722 3.771 1.492 275 H PHE 35 H PHE 35 29.111 5.084 3.773 276 HA PHE 35 HA PHE 35 30.334 2.762 5.080 277 HB2 PHE 35 HB2 PHE 35 31.572 3.605 2.940 278 HB3 PHE 35 HB3 PHE 35 32.094 4.928 3.978 279 HD1 PHE 35 HD1 PHE 35 34.045 4.694 5.169 280 HD2 PHE 35 HD2 PHE 35 31.942 1.204 3.937 281 HE1 PHE 35 HE1 PHE 35 35.868 3.290 6.043 282 HE2 PHE 35 HE2 PHE 35 33.761 -0.204 4.810 283 HZ PHE 35 HZ PHE 35 35.727 0.838 5.865 284 H ASN 36 H ASN 36 28.784 3.957 6.652 285 HA ASN 36 HA ASN 36 30.258 5.061 8.711 286 HB2 ASN 36 HB2 ASN 36 29.846 6.969 6.678 287 HB3 ASN 36 HB3 ASN 36 28.746 7.403 7.983 288 HD21 ASN 36 HD21 ASN 36 31.267 8.616 6.934 289 HD22 ASN 36 HD22 ASN 36 32.271 8.812 8.327 290 H LEU 37 H LEU 37 27.138 6.032 7.275 291 HA LEU 37 HA LEU 37 25.781 5.740 9.783 292 HB2 LEU 37 HB2 LEU 37 24.932 7.425 8.406 293 HB3 LEU 37 HB3 LEU 37 24.926 6.383 6.984 294 HG LEU 37 HG LEU 37 23.142 5.444 9.091 295 HD11 LEU 37 HD11 LEU 37 22.465 8.062 7.766 296 HD12 LEU 37 HD12 LEU 37 23.016 7.912 9.436 297 HD13 LEU 37 HD13 LEU 37 21.498 7.166 8.938 298 HD21 LEU 37 HD21 LEU 37 21.959 6.188 6.561 299 HD22 LEU 37 HD22 LEU 37 22.105 4.600 7.313 300 HD23 LEU 37 HD23 LEU 37 23.427 5.237 6.335 301 H LEU 38 H LEU 38 26.210 3.796 6.910 302 HA LEU 38 HA LEU 38 24.156 1.971 7.131 303 HB2 LEU 38 HB2 LEU 38 25.225 1.148 5.377 304 HB3 LEU 38 HB3 LEU 38 26.616 2.165 5.746 305 HG LEU 38 HG LEU 38 27.319 0.265 7.335 306 HD11 LEU 38 HD11 LEU 38 24.921 -0.844 6.136 307 HD12 LEU 38 HD12 LEU 38 25.845 -1.390 7.536 308 HD13 LEU 38 HD13 LEU 38 26.329 -1.884 5.914 309 HD21 LEU 38 HD21 LEU 38 28.611 0.708 5.405 310 HD22 LEU 38 HD22 LEU 38 27.366 0.066 4.333 311 HD23 LEU 38 HD23 LEU 38 28.276 -1.023 5.382 312 H MET 39 H MET 39 27.067 2.250 9.044 313 HA MET 39 HA MET 39 26.907 -0.306 10.278 314 HB2 MET 39 HB2 MET 39 28.630 1.980 10.384 315 HB3 MET 39 HB3 MET 39 28.202 1.511 12.024 316 HG2 MET 39 HG2 MET 39 29.271 -0.410 9.976 317 HG3 MET 39 HG3 MET 39 30.286 0.472 11.113 318 HE1 MET 39 HE1 MET 39 29.422 -2.686 10.367 319 HE2 MET 39 HE2 MET 39 30.814 -2.582 11.444 320 HE3 MET 39 HE3 MET 39 29.412 -3.549 11.905 321 H THR 40 H THR 40 25.893 2.946 11.282 322 HA THR 40 HA THR 40 24.795 2.076 13.768 323 HB THR 40 HB THR 40 24.088 4.621 12.307 324 HG1 THR 40 HG1 THR 40 26.368 3.955 13.864 325 HG21 THR 40 HG21 THR 40 23.454 5.470 14.386 326 HG22 THR 40 HG22 THR 40 24.345 4.232 15.271 327 HG23 THR 40 HG23 THR 40 22.854 3.813 14.428 328 H LEU 41 H LEU 41 23.245 3.268 10.780 329 HA LEU 41 HA LEU 41 20.615 2.773 11.479 330 HB2 LEU 41 HB2 LEU 41 21.033 4.032 9.533 331 HB3 LEU 41 HB3 LEU 41 22.018 2.755 8.824 332 HG LEU 41 HG LEU 41 19.143 2.181 9.323 333 HD11 LEU 41 HD11 LEU 41 18.295 3.495 7.696 334 HD12 LEU 41 HD12 LEU 41 19.775 3.459 6.740 335 HD13 LEU 41 HD13 LEU 41 19.653 4.529 8.137 336 HD21 LEU 41 HD21 LEU 41 19.571 0.453 7.990 337 HD22 LEU 41 HD22 LEU 41 21.274 0.901 8.077 338 HD23 LEU 41 HD23 LEU 41 20.272 1.497 6.752 339 H ARG 42 H ARG 42 23.093 0.552 10.478 340 HA ARG 42 HA ARG 42 21.679 -1.611 9.551 341 HB2 ARG 42 HB2 ARG 42 24.283 -1.146 10.657 342 HB3 ARG 42 HB3 ARG 42 23.643 -2.650 11.306 343 HG2 ARG 42 HG2 ARG 42 23.208 -3.421 9.002 344 HG3 ARG 42 HG3 ARG 42 23.954 -1.939 8.398 345 HD2 ARG 42 HD2 ARG 42 26.070 -2.553 9.146 346 HD3 ARG 42 HD3 ARG 42 25.428 -3.726 10.295 347 HE ARG 42 HE ARG 42 24.815 -4.449 7.613 348 HH11 ARG 42 HH11 ARG 42 27.368 -4.437 9.980 349 HH12 ARG 42 HH12 ARG 42 28.197 -5.790 9.284 350 HH21 ARG 42 HH21 ARG 42 25.897 -6.230 6.686 351 HH22 ARG 42 HH22 ARG 42 27.360 -6.809 7.410 352 H LEU 43 H LEU 43 21.963 -0.448 12.841 353 HA LEU 43 HA LEU 43 20.204 -2.637 13.731 354 HB2 LEU 43 HB2 LEU 43 22.637 -2.001 14.735 355 HB3 LEU 43 HB3 LEU 43 21.592 -1.025 15.765 356 HG LEU 43 HG LEU 43 22.147 -3.198 16.770 357 HD11 LEU 43 HD11 LEU 43 19.237 -3.210 16.050 358 HD12 LEU 43 HD12 LEU 43 19.929 -1.972 17.096 359 HD13 LEU 43 HD13 LEU 43 20.004 -3.669 17.571 360 HD21 LEU 43 HD21 LEU 43 22.032 -5.130 15.671 361 HD22 LEU 43 HD22 LEU 43 21.793 -4.179 14.205 362 HD23 LEU 43 HD23 LEU 43 20.399 -4.792 15.096 363 H TRP 44 H TRP 44 20.646 0.792 13.498 364 HA TRP 44 HA TRP 44 18.234 1.287 15.089 365 HB2 TRP 44 HB2 TRP 44 20.614 2.879 14.354 366 HB3 TRP 44 HB3 TRP 44 19.090 3.762 14.382 367 HD1 TRP 44 HD1 TRP 44 19.774 0.938 16.876 368 HE1 TRP 44 HE1 TRP 44 19.913 1.948 19.239 369 HE3 TRP 44 HE3 TRP 44 19.629 5.899 15.650 370 HZ2 TRP 44 HZ2 TRP 44 19.955 4.508 20.427 371 HZ3 TRP 44 HZ3 TRP 44 19.723 7.565 17.459 372 HH2 TRP 44 HH2 TRP 44 19.883 6.882 19.797 373 H SER 45 H SER 45 16.348 1.823 14.181 374 HA SER 45 HA SER 45 15.809 1.477 11.491 375 HB2 SER 45 HB2 SER 45 13.662 2.646 11.943 376 HB3 SER 45 HB3 SER 45 14.046 1.439 13.169 377 HG SER 45 HG SER 45 13.912 2.989 14.563 378 H SER 46 H SER 46 15.857 2.726 9.710 379 HA SER 46 HA SER 46 16.511 4.419 8.332 380 HB2 SER 46 HB2 SER 46 14.406 5.330 9.553 381 HB3 SER 46 HB3 SER 46 15.547 6.362 10.415 382 HG SER 46 HG SER 46 14.803 7.430 8.579 Start of MODEL 4 1 H1 ASP 1 H ASP 1 5.007 6.442 1.852 2 HA ASP 1 HA ASP 1 6.790 5.228 3.053 3 HB2 ASP 1 HB2 ASP 1 5.080 2.889 2.197 4 HB3 ASP 1 HB3 ASP 1 6.721 2.723 2.815 5 H ALA 2 H ALA 2 8.668 4.684 1.967 6 HA ALA 2 HA ALA 2 8.656 3.796 -0.756 7 HB1 ALA 2 HB1 ALA 2 9.616 6.610 -0.263 8 HB2 ALA 2 HB2 ALA 2 9.565 5.750 -1.803 9 HB3 ALA 2 HB3 ALA 2 8.064 6.203 -0.996 10 H THR 3 H THR 3 10.983 3.990 -1.679 11 HA THR 3 HA THR 3 13.089 4.046 0.291 12 HB THR 3 HB THR 3 12.407 1.810 0.736 13 HG1 THR 3 HG1 THR 3 14.654 2.003 0.470 14 HG21 THR 3 HG21 THR 3 11.786 1.791 -2.111 15 HG22 THR 3 HG22 THR 3 11.124 0.810 -0.804 16 HG23 THR 3 HG23 THR 3 12.631 0.335 -1.587 17 H LEU 4 H LEU 4 13.439 5.773 -1.390 18 HA LEU 4 HA LEU 4 15.529 4.970 -3.134 19 HB2 LEU 4 HB2 LEU 4 12.878 4.927 -4.200 20 HB3 LEU 4 HB3 LEU 4 13.789 6.221 -4.975 21 HG LEU 4 HG LEU 4 14.498 3.290 -4.922 22 HD11 LEU 4 HD11 LEU 4 13.173 5.086 -6.848 23 HD12 LEU 4 HD12 LEU 4 13.015 3.345 -6.620 24 HD13 LEU 4 HD13 LEU 4 14.391 3.997 -7.511 25 HD21 LEU 4 HD21 LEU 4 16.166 5.605 -5.248 26 HD22 LEU 4 HD22 LEU 4 16.111 4.676 -6.747 27 HD23 LEU 4 HD23 LEU 4 16.608 3.898 -5.243 28 H THR 5 H THR 5 13.046 7.522 -3.334 29 HA THR 5 HA THR 5 13.199 9.794 -3.307 30 HB THR 5 HB THR 5 15.545 9.355 -1.451 31 HG1 THR 5 HG1 THR 5 14.126 8.664 -0.051 32 HG21 THR 5 HG21 THR 5 13.592 11.614 -1.291 33 HG22 THR 5 HG22 THR 5 14.918 11.686 -2.453 34 HG23 THR 5 HG23 THR 5 15.261 11.534 -0.731 35 H GLU 6 H GLU 6 13.815 10.007 -5.488 36 HA GLU 6 HA GLU 6 16.552 10.976 -5.830 37 HB2 GLU 6 HB2 GLU 6 15.519 8.531 -6.961 38 HB3 GLU 6 HB3 GLU 6 15.937 9.663 -8.239 39 HG2 GLU 6 HG2 GLU 6 17.810 8.939 -6.005 40 HG3 GLU 6 HG3 GLU 6 17.752 8.079 -7.542 41 H LYS 7 H LYS 7 16.806 12.522 -7.459 42 HA LYS 7 HA LYS 7 14.480 13.321 -9.013 43 HB2 LYS 7 HB2 LYS 7 14.772 14.511 -6.605 44 HB3 LYS 7 HB3 LYS 7 15.782 15.565 -7.585 45 HG2 LYS 7 HG2 LYS 7 13.211 14.977 -8.820 46 HG3 LYS 7 HG3 LYS 7 13.071 15.783 -7.256 47 HD2 LYS 7 HD2 LYS 7 14.439 17.600 -7.992 48 HD3 LYS 7 HD3 LYS 7 14.857 16.752 -9.483 49 HE2 LYS 7 HE2 LYS 7 13.225 18.186 -10.234 50 HE3 LYS 7 HE3 LYS 7 12.267 16.756 -9.855 51 HZ1 LYS 7 HZ1 LYS 7 11.052 18.066 -8.565 52 HZ2 LYS 7 HZ2 LYS 7 12.131 19.359 -8.721 53 HZ3 LYS 7 HZ3 LYS 7 12.374 18.194 -7.518 54 H SER 8 H SER 8 17.688 14.547 -8.036 55 HA SER 8 HA SER 8 18.250 15.089 -10.871 56 HB2 SER 8 HB2 SER 8 19.625 16.843 -10.230 57 HB3 SER 8 HB3 SER 8 18.401 16.891 -8.960 58 HG SER 8 HG SER 8 19.851 15.633 -7.672 59 H PHE 9 H PHE 9 20.756 15.007 -11.279 60 HA PHE 9 HA PHE 9 22.319 13.114 -9.897 61 HB2 PHE 9 HB2 PHE 9 20.527 11.634 -10.948 62 HB3 PHE 9 HB3 PHE 9 21.245 12.041 -12.503 63 HD1 PHE 9 HD1 PHE 9 23.215 10.988 -13.252 64 HD2 PHE 9 HD2 PHE 9 21.883 10.418 -9.250 65 HE1 PHE 9 HE1 PHE 9 24.857 9.177 -12.968 66 HE2 PHE 9 HE2 PHE 9 23.524 8.607 -8.959 67 HZ PHE 9 HZ PHE 9 25.014 7.985 -10.818 68 H GLU 10 H GLU 10 21.585 14.605 -13.010 69 HA GLU 10 HA GLU 10 24.062 15.877 -13.250 70 HB2 GLU 10 HB2 GLU 10 24.193 13.139 -13.932 71 HB3 GLU 10 HB3 GLU 10 24.246 14.033 -15.444 72 HG2 GLU 10 HG2 GLU 10 26.362 14.568 -15.106 73 HG3 GLU 10 HG3 GLU 10 25.971 15.289 -13.546 74 H THR 11 H THR 11 23.009 17.626 -14.025 75 HA THR 11 HA THR 11 20.864 17.725 -15.754 76 HB THR 11 HB THR 11 21.987 20.012 -16.467 77 HG1 THR 11 HG1 THR 11 23.772 20.469 -15.423 78 HG21 THR 11 HG21 THR 11 20.134 20.326 -15.178 79 HG22 THR 11 HG22 THR 11 21.354 20.786 -13.992 80 HG23 THR 11 HG23 THR 11 20.655 19.168 -13.955 81 H ASP 12 H ASP 12 24.240 18.368 -16.723 82 HA ASP 12 HA ASP 12 23.615 17.168 -19.339 83 HB2 ASP 12 HB2 ASP 12 25.149 19.701 -18.752 84 HB3 ASP 12 HB3 ASP 12 25.254 18.860 -20.297 85 H MET 13 H MET 13 26.391 18.307 -17.404 86 HA MET 13 HA MET 13 27.597 15.750 -17.273 87 HB2 MET 13 HB2 MET 13 29.669 16.772 -18.670 88 HB3 MET 13 HB3 MET 13 28.440 15.730 -19.374 89 HG2 MET 13 HG2 MET 13 27.417 17.449 -20.487 90 HG3 MET 13 HG3 MET 13 27.987 18.668 -19.349 91 HE1 MET 13 HE1 MET 13 28.127 16.988 -22.431 92 HE2 MET 13 HE2 MET 13 29.436 17.741 -23.342 93 HE3 MET 13 HE3 MET 13 29.737 16.266 -22.422 94 H ASN 14 H ASN 14 29.101 18.929 -17.799 95 HA ASN 14 HA ASN 14 29.391 19.652 -15.117 96 HB2 ASN 14 HB2 ASN 14 31.965 19.176 -15.063 97 HB3 ASN 14 HB3 ASN 14 30.833 17.906 -14.608 98 HD21 ASN 14 HD21 ASN 14 31.767 16.084 -15.230 99 HD22 ASN 14 HD22 ASN 14 32.369 15.754 -16.816 100 H LEU 15 H LEU 15 31.462 21.177 -14.905 101 HA LEU 15 HA LEU 15 32.259 22.476 -17.336 102 HB2 LEU 15 HB2 LEU 15 31.271 24.707 -16.253 103 HB3 LEU 15 HB3 LEU 15 30.399 23.742 -17.440 104 HG LEU 15 HG LEU 15 29.945 23.051 -14.601 105 HD11 LEU 15 HD11 LEU 15 29.983 25.471 -14.454 106 HD12 LEU 15 HD12 LEU 15 28.329 24.874 -14.315 107 HD13 LEU 15 HD13 LEU 15 28.882 25.593 -15.828 108 HD21 LEU 15 HD21 LEU 15 28.361 21.905 -15.658 109 HD22 LEU 15 HD22 LEU 15 28.676 22.752 -17.174 110 HD23 LEU 15 HD23 LEU 15 27.560 23.440 -15.993 111 H ASN 16 H ASN 16 31.722 23.722 -14.046 112 HA ASN 16 HA ASN 16 34.641 23.851 -13.698 113 HB2 ASN 16 HB2 ASN 16 33.520 26.084 -14.263 114 HB3 ASN 16 HB3 ASN 16 32.773 25.984 -12.671 115 HD21 ASN 16 HD21 ASN 16 35.994 25.470 -14.078 116 HD22 ASN 16 HD22 ASN 16 36.846 26.380 -12.882 117 H PHE 17 H PHE 17 33.403 25.388 -11.143 118 HA PHE 17 HA PHE 17 34.018 23.487 -9.249 119 HB2 PHE 17 HB2 PHE 17 33.287 26.076 -9.126 120 HB3 PHE 17 HB3 PHE 17 31.797 25.327 -8.559 121 HD1 PHE 17 HD1 PHE 17 35.462 25.389 -7.953 122 HD2 PHE 17 HD2 PHE 17 31.586 24.676 -6.343 123 HE1 PHE 17 HE1 PHE 17 36.442 25.152 -5.709 124 HE2 PHE 17 HE2 PHE 17 32.559 24.440 -4.097 125 HZ PHE 17 HZ PHE 17 34.990 24.679 -3.777 126 H GLN 18 H GLN 18 31.008 23.977 -10.973 127 HA GLN 18 HA GLN 18 29.226 22.533 -9.455 128 HB2 GLN 18 HB2 GLN 18 29.185 23.682 -11.949 129 HB3 GLN 18 HB3 GLN 18 29.004 21.975 -12.326 130 HG2 GLN 18 HG2 GLN 18 26.825 22.781 -12.117 131 HG3 GLN 18 HG3 GLN 18 27.145 21.948 -10.597 132 HE21 GLN 18 HE21 GLN 18 25.271 24.134 -11.325 133 HE22 GLN 18 HE22 GLN 18 25.601 25.402 -10.199 134 H ASN 19 H ASN 19 31.776 21.356 -11.548 135 HA ASN 19 HA ASN 19 30.951 18.648 -11.635 136 HB2 ASN 19 HB2 ASN 19 32.574 19.653 -13.222 137 HB3 ASN 19 HB3 ASN 19 33.749 19.769 -11.915 138 HD21 ASN 19 HD21 ASN 19 34.330 17.725 -10.844 139 HD22 ASN 19 HD22 ASN 19 34.428 16.297 -11.812 140 H LEU 20 H LEU 20 33.264 20.383 -9.571 141 HA LEU 20 HA LEU 20 34.022 18.125 -8.042 142 HB2 LEU 20 HB2 LEU 20 34.069 20.917 -6.969 143 HB3 LEU 20 HB3 LEU 20 35.205 19.599 -6.686 144 HG LEU 20 HG LEU 20 34.965 21.345 -9.127 145 HD11 LEU 20 HD11 LEU 20 37.455 20.794 -7.578 146 HD12 LEU 20 HD12 LEU 20 36.282 21.956 -6.962 147 HD13 LEU 20 HD13 LEU 20 37.018 22.203 -8.545 148 HD21 LEU 20 HD21 LEU 20 36.438 18.752 -8.744 149 HD22 LEU 20 HD22 LEU 20 36.912 19.944 -9.954 150 HD23 LEU 20 HD23 LEU 20 35.316 19.196 -10.030 151 H SER 21 H SER 21 31.383 20.393 -7.823 152 HA SER 21 HA SER 21 30.628 19.718 -5.149 153 HB2 SER 21 HB2 SER 21 29.373 21.278 -7.380 154 HB3 SER 21 HB3 SER 21 28.399 20.824 -5.983 155 HG SER 21 HG SER 21 29.239 22.670 -5.304 156 H VAL 22 H VAL 22 29.250 18.942 -8.343 157 HA VAL 22 HA VAL 22 27.205 17.266 -7.505 158 HB VAL 22 HB VAL 22 28.851 17.088 -10.031 159 HG11 VAL 22 HG11 VAL 22 27.804 15.007 -9.892 160 HG12 VAL 22 HG12 VAL 22 26.341 15.686 -9.176 161 HG13 VAL 22 HG13 VAL 22 26.704 15.967 -10.880 162 HG21 VAL 22 HG21 VAL 22 27.598 18.735 -10.884 163 HG22 VAL 22 HG22 VAL 22 26.115 18.103 -10.169 164 HG23 VAL 22 HG23 VAL 22 27.198 19.108 -9.207 165 H MET 23 H MET 23 30.508 16.358 -8.492 166 HA MET 23 HA MET 23 30.145 13.615 -7.756 167 HB2 MET 23 HB2 MET 23 31.989 15.052 -9.278 168 HB3 MET 23 HB3 MET 23 32.917 14.462 -7.905 169 HG2 MET 23 HG2 MET 23 31.716 12.199 -8.489 170 HG3 MET 23 HG3 MET 23 31.566 12.951 -10.075 171 HE1 MET 23 HE1 MET 23 34.519 14.083 -11.151 172 HE2 MET 23 HE2 MET 23 34.572 12.443 -11.797 173 HE3 MET 23 HE3 MET 23 33.025 13.274 -11.624 174 H GLY 24 H GLY 24 31.927 16.355 -6.348 175 HA2 GLY 24 HA2 GLY 24 33.046 15.049 -4.163 176 HA3 GLY 24 HA3 GLY 24 32.620 16.753 -4.197 177 H LEU 25 H LEU 25 29.992 16.892 -4.205 178 HA LEU 25 HA LEU 25 29.243 16.250 -1.579 179 HB2 LEU 25 HB2 LEU 25 27.537 16.973 -3.956 180 HB3 LEU 25 HB3 LEU 25 26.964 16.915 -2.290 181 HG LEU 25 HG LEU 25 28.764 18.909 -3.607 182 HD11 LEU 25 HD11 LEU 25 26.223 19.117 -3.314 183 HD12 LEU 25 HD12 LEU 25 27.232 20.478 -2.826 184 HD13 LEU 25 HD13 LEU 25 26.582 19.381 -1.608 185 HD21 LEU 25 HD21 LEU 25 28.830 18.013 -0.771 186 HD22 LEU 25 HD22 LEU 25 28.986 19.736 -1.115 187 HD23 LEU 25 HD23 LEU 25 30.136 18.590 -1.806 188 H ARG 26 H ARG 26 28.324 14.765 -4.675 189 HA ARG 26 HA ARG 26 26.589 12.826 -3.641 190 HB2 ARG 26 HB2 ARG 26 26.735 13.386 -6.032 191 HB3 ARG 26 HB3 ARG 26 28.337 12.664 -6.102 192 HG2 ARG 26 HG2 ARG 26 27.188 10.518 -5.295 193 HG3 ARG 26 HG3 ARG 26 25.685 11.319 -5.756 194 HD2 ARG 26 HD2 ARG 26 26.199 11.293 -7.995 195 HD3 ARG 26 HD3 ARG 26 27.938 11.264 -7.703 196 HE ARG 26 HE ARG 26 26.778 8.866 -6.782 197 HH11 ARG 26 HH11 ARG 26 27.565 10.540 -9.731 198 HH12 ARG 26 HH12 ARG 26 27.759 9.089 -10.658 199 HH21 ARG 26 HH21 ARG 26 27.029 6.948 -7.991 200 HH22 ARG 26 HH22 ARG 26 27.454 7.046 -9.667 201 H ILE 27 H ILE 27 30.079 12.893 -3.938 202 HA ILE 27 HA ILE 27 30.527 10.140 -3.424 203 HB ILE 27 HB ILE 27 32.165 12.534 -3.711 204 HG12 ILE 27 HG12 ILE 27 33.689 10.935 -4.773 205 HG13 ILE 27 HG13 ILE 27 32.730 9.594 -4.155 206 HG21 ILE 27 HG21 ILE 27 34.104 11.585 -2.457 207 HG22 ILE 27 HG22 ILE 27 32.791 12.167 -1.435 208 HG23 ILE 27 HG23 ILE 27 32.992 10.437 -1.713 209 HD11 ILE 27 HD11 ILE 27 31.520 9.655 -5.999 210 HD12 ILE 27 HD12 ILE 27 30.973 11.278 -5.573 211 HD13 ILE 27 HD13 ILE 27 32.414 11.064 -6.567 212 H LEU 28 H LEU 28 30.163 12.967 -1.372 213 HA LEU 28 HA LEU 28 31.002 11.676 1.033 214 HB2 LEU 28 HB2 LEU 28 29.439 14.195 0.516 215 HB3 LEU 28 HB3 LEU 28 29.897 13.651 2.128 216 HG LEU 28 HG LEU 28 31.787 14.433 -0.092 217 HD11 LEU 28 HD11 LEU 28 30.996 15.802 2.473 218 HD12 LEU 28 HD12 LEU 28 30.703 16.366 0.828 219 HD13 LEU 28 HD13 LEU 28 32.350 16.290 1.454 220 HD21 LEU 28 HD21 LEU 28 32.218 13.289 2.645 221 HD22 LEU 28 HD22 LEU 28 33.433 14.318 1.885 222 HD23 LEU 28 HD23 LEU 28 32.945 12.811 1.110 223 H LEU 29 H LEU 29 27.845 12.447 -0.392 224 HA LEU 29 HA LEU 29 26.219 11.540 1.674 225 HB2 LEU 29 HB2 LEU 29 24.952 12.591 0.129 226 HB3 LEU 29 HB3 LEU 29 25.920 12.003 -1.220 227 HG LEU 29 HG LEU 29 24.186 10.035 0.166 228 HD11 LEU 29 HD11 LEU 29 22.231 10.722 -1.123 229 HD12 LEU 29 HD12 LEU 29 23.104 12.140 -1.702 230 HD13 LEU 29 HD13 LEU 29 22.722 11.978 0.013 231 HD21 LEU 29 HD21 LEU 29 23.859 9.852 -2.557 232 HD22 LEU 29 HD22 LEU 29 25.002 8.920 -1.589 233 HD23 LEU 29 HD23 LEU 29 25.527 10.400 -2.393 234 H LEU 30 H LEU 30 27.596 9.759 -1.065 235 HA LEU 30 HA LEU 30 26.372 7.279 -0.384 236 HB2 LEU 30 HB2 LEU 30 27.792 8.284 -2.538 237 HB3 LEU 30 HB3 LEU 30 28.858 7.050 -1.868 238 HG LEU 30 HG LEU 30 27.126 5.370 -2.145 239 HD11 LEU 30 HD11 LEU 30 25.470 7.691 -3.098 240 HD12 LEU 30 HD12 LEU 30 25.126 6.576 -1.777 241 HD13 LEU 30 HD13 LEU 30 25.064 6.010 -3.446 242 HD21 LEU 30 HD21 LEU 30 28.102 6.994 -4.412 243 HD22 LEU 30 HD22 LEU 30 26.806 5.850 -4.764 244 HD23 LEU 30 HD23 LEU 30 28.321 5.279 -4.063 245 H LYS 31 H LYS 31 29.269 8.914 0.599 246 HA LYS 31 HA LYS 31 30.547 6.584 1.695 247 HB2 LYS 31 HB2 LYS 31 31.716 8.692 0.877 248 HB3 LYS 31 HB3 LYS 31 31.164 9.461 2.359 249 HG2 LYS 31 HG2 LYS 31 32.321 7.499 3.555 250 HG3 LYS 31 HG3 LYS 31 33.141 7.242 2.014 251 HD2 LYS 31 HD2 LYS 31 33.487 9.904 2.311 252 HD3 LYS 31 HD3 LYS 31 33.465 9.396 4.002 253 HE2 LYS 31 HE2 LYS 31 35.259 8.316 1.830 254 HE3 LYS 31 HE3 LYS 31 35.737 9.398 3.136 255 HZ1 LYS 31 HZ1 LYS 31 36.081 7.655 4.429 256 HZ2 LYS 31 HZ2 LYS 31 35.675 6.615 3.159 257 HZ3 LYS 31 HZ3 LYS 31 34.481 7.139 4.235 258 H VAL 32 H VAL 32 28.422 9.108 2.860 259 HA VAL 32 HA VAL 32 28.719 8.283 5.629 260 HB VAL 32 HB VAL 32 27.121 10.050 6.149 261 HG11 VAL 32 HG11 VAL 32 29.626 10.449 4.768 262 HG12 VAL 32 HG12 VAL 32 28.546 11.828 4.553 263 HG13 VAL 32 HG13 VAL 32 28.971 11.285 6.177 264 HG21 VAL 32 HG21 VAL 32 26.923 10.383 3.157 265 HG22 VAL 32 HG22 VAL 32 25.640 9.866 4.251 266 HG23 VAL 32 HG23 VAL 32 26.266 11.513 4.342 267 H ALA 33 H ALA 33 26.472 7.911 2.975 268 HA ALA 33 HA ALA 33 24.540 6.552 4.702 269 HB1 ALA 33 HB1 ALA 33 24.327 7.229 1.771 270 HB2 ALA 33 HB2 ALA 33 23.036 6.623 2.808 271 HB3 ALA 33 HB3 ALA 33 23.716 8.225 3.092 272 H GLY 34 H GLY 34 27.214 5.801 2.842 273 HA2 GLY 34 HA2 GLY 34 26.221 3.061 2.353 274 HA3 GLY 34 HA3 GLY 34 27.453 3.845 1.376 275 H PHE 35 H PHE 35 28.696 4.989 3.848 276 HA PHE 35 HA PHE 35 29.771 2.562 5.086 277 HB2 PHE 35 HB2 PHE 35 31.187 3.443 3.097 278 HB3 PHE 35 HB3 PHE 35 31.642 4.739 4.198 279 HD1 PHE 35 HD1 PHE 35 33.090 4.334 6.067 280 HD2 PHE 35 HD2 PHE 35 31.874 1.146 3.522 281 HE1 PHE 35 HE1 PHE 35 34.832 2.896 7.041 282 HE2 PHE 35 HE2 PHE 35 33.614 -0.297 4.492 283 HZ PHE 35 HZ PHE 35 35.096 0.576 6.255 284 H ASN 36 H ASN 36 28.143 3.722 6.610 285 HA ASN 36 HA ASN 36 29.483 4.642 8.837 286 HB2 ASN 36 HB2 ASN 36 30.116 6.678 7.892 287 HB3 ASN 36 HB3 ASN 36 28.616 6.837 6.983 288 HD21 ASN 36 HD21 ASN 36 27.874 8.741 7.682 289 HD22 ASN 36 HD22 ASN 36 27.520 9.118 9.331 290 H LEU 37 H LEU 37 26.552 5.898 7.235 291 HA LEU 37 HA LEU 37 24.974 5.534 9.591 292 HB2 LEU 37 HB2 LEU 37 24.326 7.327 8.241 293 HB3 LEU 37 HB3 LEU 37 24.389 6.358 6.771 294 HG LEU 37 HG LEU 37 22.385 5.467 8.719 295 HD11 LEU 37 HD11 LEU 37 20.849 7.253 8.412 296 HD12 LEU 37 HD12 LEU 37 21.926 8.071 7.281 297 HD13 LEU 37 HD13 LEU 37 22.359 7.962 8.988 298 HD21 LEU 37 HD21 LEU 37 22.919 5.244 5.980 299 HD22 LEU 37 HD22 LEU 37 21.434 6.189 6.104 300 HD23 LEU 37 HD23 LEU 37 21.534 4.598 6.861 301 H LEU 38 H LEU 38 25.544 3.713 6.661 302 HA LEU 38 HA LEU 38 23.393 1.990 6.619 303 HB2 LEU 38 HB2 LEU 38 24.559 1.176 4.925 304 HB3 LEU 38 HB3 LEU 38 25.950 2.131 5.433 305 HG LEU 38 HG LEU 38 26.469 0.148 6.995 306 HD11 LEU 38 HD11 LEU 38 25.286 -1.733 6.858 307 HD12 LEU 38 HD12 LEU 38 25.269 -1.692 5.095 308 HD13 LEU 38 HD13 LEU 38 24.068 -0.779 6.010 309 HD21 LEU 38 HD21 LEU 38 27.921 0.638 5.192 310 HD22 LEU 38 HD22 LEU 38 26.752 0.068 4.000 311 HD23 LEU 38 HD23 LEU 38 27.551 -1.082 5.075 312 H MET 39 H MET 39 26.133 2.034 8.784 313 HA MET 39 HA MET 39 25.747 -0.573 9.860 314 HB2 MET 39 HB2 MET 39 27.435 1.769 10.442 315 HB3 MET 39 HB3 MET 39 27.038 0.783 11.843 316 HG2 MET 39 HG2 MET 39 28.177 -0.362 9.312 317 HG3 MET 39 HG3 MET 39 29.176 0.215 10.643 318 HE1 MET 39 HE1 MET 39 28.217 -3.922 10.151 319 HE2 MET 39 HE2 MET 39 28.014 -2.625 8.974 320 HE3 MET 39 HE3 MET 39 29.579 -2.874 9.750 321 H THR 40 H THR 40 24.826 2.680 10.949 322 HA THR 40 HA THR 40 23.486 1.758 13.292 323 HB THR 40 HB THR 40 22.792 4.382 12.039 324 HG1 THR 40 HG1 THR 40 25.285 3.750 13.271 325 HG21 THR 40 HG21 THR 40 23.272 3.382 14.842 326 HG22 THR 40 HG22 THR 40 21.753 3.928 14.132 327 HG23 THR 40 HG23 THR 40 23.046 5.086 14.449 328 H LEU 41 H LEU 41 22.245 3.170 10.256 329 HA LEU 41 HA LEU 41 19.546 2.794 10.717 330 HB2 LEU 41 HB2 LEU 41 20.162 4.098 8.867 331 HB3 LEU 41 HB3 LEU 41 21.172 2.819 8.196 332 HG LEU 41 HG LEU 41 18.247 2.321 8.403 333 HD11 LEU 41 HD11 LEU 41 17.588 3.748 6.791 334 HD12 LEU 41 HD12 LEU 41 19.128 3.667 5.937 335 HD13 LEU 41 HD13 LEU 41 18.962 4.698 7.358 336 HD21 LEU 41 HD21 LEU 41 19.606 1.711 5.921 337 HD22 LEU 41 HD22 LEU 41 18.738 0.644 7.025 338 HD23 LEU 41 HD23 LEU 41 20.438 1.016 7.311 339 H ARG 42 H ARG 42 21.971 0.479 9.773 340 HA ARG 42 HA ARG 42 20.486 -1.559 8.677 341 HB2 ARG 42 HB2 ARG 42 23.054 -1.298 9.967 342 HB3 ARG 42 HB3 ARG 42 22.299 -2.821 10.418 343 HG2 ARG 42 HG2 ARG 42 22.166 -2.184 7.559 344 HG3 ARG 42 HG3 ARG 42 23.791 -2.440 8.194 345 HD2 ARG 42 HD2 ARG 42 23.414 -4.635 8.656 346 HD3 ARG 42 HD3 ARG 42 21.704 -4.380 8.998 347 HE ARG 42 HE ARG 42 22.388 -4.037 6.229 348 HH11 ARG 42 HH11 ARG 42 21.507 -6.331 8.695 349 HH12 ARG 42 HH12 ARG 42 20.866 -7.487 7.575 350 HH21 ARG 42 HH21 ARG 42 21.547 -5.551 4.744 351 HH22 ARG 42 HH22 ARG 42 20.891 -7.042 5.327 352 H LEU 43 H LEU 43 20.687 -0.558 12.025 353 HA LEU 43 HA LEU 43 18.790 -2.693 12.745 354 HB2 LEU 43 HB2 LEU 43 21.201 -2.200 13.881 355 HB3 LEU 43 HB3 LEU 43 20.147 -1.228 14.906 356 HG LEU 43 HG LEU 43 20.573 -3.462 15.836 357 HD11 LEU 43 HD11 LEU 43 18.448 -2.222 16.250 358 HD12 LEU 43 HD12 LEU 43 18.313 -3.973 16.411 359 HD13 LEU 43 HD13 LEU 43 17.705 -3.172 14.963 360 HD21 LEU 43 HD21 LEU 43 18.943 -4.601 13.588 361 HD22 LEU 43 HD22 LEU 43 19.921 -5.447 14.788 362 HD23 LEU 43 HD23 LEU 43 20.703 -4.520 13.507 363 H TRP 44 H TRP 44 19.395 0.720 12.681 364 HA TRP 44 HA TRP 44 16.932 1.260 14.176 365 HB2 TRP 44 HB2 TRP 44 19.332 2.472 14.384 366 HB3 TRP 44 HB3 TRP 44 18.584 3.506 13.170 367 HD1 TRP 44 HD1 TRP 44 17.339 5.495 14.166 368 HE1 TRP 44 HE1 TRP 44 16.172 6.021 16.399 369 HE3 TRP 44 HE3 TRP 44 17.957 0.982 16.488 370 HZ2 TRP 44 HZ2 TRP 44 15.592 4.699 18.824 371 HZ3 TRP 44 HZ3 TRP 44 17.067 0.696 18.764 372 HH2 TRP 44 HH2 TRP 44 15.910 2.518 19.906 373 H SER 45 H SER 45 15.118 1.916 13.206 374 HA SER 45 HA SER 45 14.724 1.725 10.466 375 HB2 SER 45 HB2 SER 45 12.538 2.532 10.839 376 HB3 SER 45 HB3 SER 45 12.983 1.764 12.363 377 HG SER 45 HG SER 45 12.031 3.860 12.620 378 H SER 46 H SER 46 14.757 3.128 8.776 379 HA SER 46 HA SER 46 14.799 5.919 8.919 380 HB2 SER 46 HB2 SER 46 17.411 4.606 9.295 381 HB3 SER 46 HB3 SER 46 17.390 5.864 8.059 382 HG SER 46 HG SER 46 16.739 6.080 10.802 Start of MODEL 5 1 H1 ASP 1 H ASP 1 41.946 -13.026 10.758 2 HA ASP 1 HA ASP 1 40.161 -11.701 9.408 3 HB2 ASP 1 HB2 ASP 1 42.580 -12.972 8.116 4 HB3 ASP 1 HB3 ASP 1 41.623 -11.703 7.359 5 H ALA 2 H ALA 2 38.823 -11.822 7.590 6 HA ALA 2 HA ALA 2 38.362 -14.502 6.478 7 HB1 ALA 2 HB1 ALA 2 35.881 -13.960 6.562 8 HB2 ALA 2 HB2 ALA 2 36.658 -14.363 8.093 9 HB3 ALA 2 HB3 ALA 2 36.308 -12.681 7.699 10 H THR 3 H THR 3 36.923 -11.254 6.150 11 HA THR 3 HA THR 3 38.019 -10.769 3.583 12 HB THR 3 HB THR 3 35.284 -10.838 2.878 13 HG1 THR 3 HG1 THR 3 36.057 -13.453 3.577 14 HG21 THR 3 HG21 THR 3 36.049 -11.979 1.028 15 HG22 THR 3 HG22 THR 3 37.212 -12.924 1.957 16 HG23 THR 3 HG23 THR 3 37.541 -11.230 1.594 17 H LEU 4 H LEU 4 36.551 -8.978 2.443 18 HA LEU 4 HA LEU 4 35.182 -7.265 4.329 19 HB2 LEU 4 HB2 LEU 4 37.958 -6.897 3.725 20 HB3 LEU 4 HB3 LEU 4 37.032 -5.537 3.094 21 HG LEU 4 HG LEU 4 36.491 -6.346 5.894 22 HD11 LEU 4 HD11 LEU 4 38.995 -6.458 5.578 23 HD12 LEU 4 HD12 LEU 4 38.415 -5.326 6.800 24 HD13 LEU 4 HD13 LEU 4 38.936 -4.732 5.224 25 HD21 LEU 4 HD21 LEU 4 37.026 -3.570 5.406 26 HD22 LEU 4 HD22 LEU 4 35.527 -4.347 5.914 27 HD23 LEU 4 HD23 LEU 4 35.902 -4.193 4.197 28 H THR 5 H THR 5 34.489 -5.179 3.204 29 HA THR 5 HA THR 5 33.100 -5.858 0.834 30 HB THR 5 HB THR 5 33.184 -3.034 1.047 31 HG1 THR 5 HG1 THR 5 33.882 -2.978 3.099 32 HG21 THR 5 HG21 THR 5 31.285 -4.644 0.474 33 HG22 THR 5 HG22 THR 5 30.873 -3.241 1.461 34 HG23 THR 5 HG23 THR 5 31.067 -4.824 2.213 35 H GLU 6 H GLU 6 33.311 -5.004 -1.273 36 HA GLU 6 HA GLU 6 35.618 -3.441 -1.994 37 HB2 GLU 6 HB2 GLU 6 36.704 -5.587 -1.853 38 HB3 GLU 6 HB3 GLU 6 35.431 -6.346 -2.798 39 HG2 GLU 6 HG2 GLU 6 36.084 -5.017 -4.743 40 HG3 GLU 6 HG3 GLU 6 37.370 -4.271 -3.795 41 H LYS 7 H LYS 7 34.849 -2.073 -3.446 42 HA LYS 7 HA LYS 7 33.321 -3.049 -5.713 43 HB2 LYS 7 HB2 LYS 7 32.041 -1.809 -3.478 44 HB3 LYS 7 HB3 LYS 7 31.945 -0.715 -4.852 45 HG2 LYS 7 HG2 LYS 7 30.123 -1.886 -5.390 46 HG3 LYS 7 HG3 LYS 7 31.264 -3.086 -6.000 47 HD2 LYS 7 HD2 LYS 7 31.240 -4.054 -3.635 48 HD3 LYS 7 HD3 LYS 7 29.819 -3.043 -3.363 49 HE2 LYS 7 HE2 LYS 7 28.535 -4.557 -4.357 50 HE3 LYS 7 HE3 LYS 7 29.489 -4.418 -5.832 51 HZ1 LYS 7 HZ1 LYS 7 29.962 -6.261 -3.557 52 HZ2 LYS 7 HZ2 LYS 7 31.066 -6.033 -4.818 53 HZ3 LYS 7 HZ3 LYS 7 29.535 -6.674 -5.141 54 H SER 8 H SER 8 32.909 -1.245 -7.303 55 HA SER 8 HA SER 8 33.735 0.366 -8.680 56 HB2 SER 8 HB2 SER 8 33.433 1.566 -6.242 57 HB3 SER 8 HB3 SER 8 35.134 1.881 -6.577 58 HG SER 8 HG SER 8 32.932 2.999 -7.682 59 H PHE 9 H PHE 9 35.956 1.762 -8.967 60 HA PHE 9 HA PHE 9 38.301 0.224 -8.277 61 HB2 PHE 9 HB2 PHE 9 36.956 -0.363 -10.684 62 HB3 PHE 9 HB3 PHE 9 38.382 0.566 -11.135 63 HD1 PHE 9 HD1 PHE 9 37.125 -2.593 -9.929 64 HD2 PHE 9 HD2 PHE 9 40.635 -0.248 -10.482 65 HE1 PHE 9 HE1 PHE 9 38.509 -4.613 -9.688 66 HE2 PHE 9 HE2 PHE 9 42.024 -2.264 -10.243 67 HZ PHE 9 HZ PHE 9 40.962 -4.451 -9.846 68 H GLU 10 H GLU 10 37.391 2.506 -10.863 69 HA GLU 10 HA GLU 10 38.781 4.681 -9.611 70 HB2 GLU 10 HB2 GLU 10 40.164 2.997 -11.547 71 HB3 GLU 10 HB3 GLU 10 40.116 4.683 -12.041 72 HG2 GLU 10 HG2 GLU 10 41.604 5.293 -10.504 73 HG3 GLU 10 HG3 GLU 10 40.827 4.338 -9.241 74 H THR 11 H THR 11 36.948 5.887 -9.876 75 HA THR 11 HA THR 11 36.555 7.112 -12.424 76 HB THR 11 HB THR 11 35.257 5.150 -12.927 77 HG1 THR 11 HG1 THR 11 34.374 7.349 -13.364 78 HG21 THR 11 HG21 THR 11 34.243 3.974 -11.330 79 HG22 THR 11 HG22 THR 11 33.113 5.304 -11.069 80 HG23 THR 11 HG23 THR 11 34.620 5.234 -10.156 81 H ASP 12 H ASP 12 36.155 9.166 -11.965 82 HA ASP 12 HA ASP 12 34.359 9.816 -9.742 83 HB2 ASP 12 HB2 ASP 12 36.030 11.809 -9.344 84 HB3 ASP 12 HB3 ASP 12 36.328 10.237 -8.609 85 H MET 13 H MET 13 36.196 11.100 -12.500 86 HA MET 13 HA MET 13 35.659 12.605 -14.118 87 HB2 MET 13 HB2 MET 13 33.421 11.052 -13.806 88 HB3 MET 13 HB3 MET 13 32.773 12.672 -13.579 89 HG2 MET 13 HG2 MET 13 33.168 13.286 -15.729 90 HG3 MET 13 HG3 MET 13 34.567 12.228 -15.893 91 HE1 MET 13 HE1 MET 13 33.529 8.974 -16.838 92 HE2 MET 13 HE2 MET 13 33.848 10.150 -18.114 93 HE3 MET 13 HE3 MET 13 34.742 10.231 -16.596 94 H ASN 14 H ASN 14 36.522 14.478 -13.363 95 HA ASN 14 HA ASN 14 34.681 16.285 -11.954 96 HB2 ASN 14 HB2 ASN 14 37.635 15.966 -11.375 97 HB3 ASN 14 HB3 ASN 14 36.576 17.170 -10.645 98 HD21 ASN 14 HD21 ASN 14 34.520 16.127 -9.680 99 HD22 ASN 14 HD22 ASN 14 34.801 14.745 -8.681 100 H LEU 15 H LEU 15 35.303 18.594 -12.179 101 HA LEU 15 HA LEU 15 36.935 19.192 -14.526 102 HB2 LEU 15 HB2 LEU 15 34.005 19.553 -14.295 103 HB3 LEU 15 HB3 LEU 15 34.915 20.867 -15.039 104 HG LEU 15 HG LEU 15 35.877 19.050 -16.586 105 HD11 LEU 15 HD11 LEU 15 33.539 17.446 -16.558 106 HD12 LEU 15 HD12 LEU 15 34.217 17.454 -14.931 107 HD13 LEU 15 HD13 LEU 15 35.214 16.957 -16.298 108 HD21 LEU 15 HD21 LEU 15 32.992 19.323 -17.142 109 HD22 LEU 15 HD22 LEU 15 34.386 19.709 -18.150 110 HD23 LEU 15 HD23 LEU 15 33.882 20.822 -16.877 111 H ASN 16 H ASN 16 34.570 21.103 -12.687 112 HA ASN 16 HA ASN 16 36.771 22.647 -11.517 113 HB2 ASN 16 HB2 ASN 16 34.369 23.917 -12.848 114 HB3 ASN 16 HB3 ASN 16 35.719 24.758 -12.095 115 HD21 ASN 16 HD21 ASN 16 37.916 23.845 -13.017 116 HD22 ASN 16 HD22 ASN 16 37.999 23.846 -14.743 117 H PHE 17 H PHE 17 34.155 24.454 -11.005 118 HA PHE 17 HA PHE 17 33.803 23.479 -8.323 119 HB2 PHE 17 HB2 PHE 17 32.369 25.721 -9.763 120 HB3 PHE 17 HB3 PHE 17 32.347 25.425 -8.027 121 HD1 PHE 17 HD1 PHE 17 35.121 24.884 -7.400 122 HD2 PHE 17 HD2 PHE 17 33.454 27.724 -10.098 123 HE1 PHE 17 HE1 PHE 17 37.114 26.302 -7.133 124 HE2 PHE 17 HE2 PHE 17 35.445 29.146 -9.836 125 HZ PHE 17 HZ PHE 17 37.279 28.435 -8.352 126 H GLN 18 H GLN 18 31.635 23.956 -11.109 127 HA GLN 18 HA GLN 18 29.308 22.938 -10.039 128 HB2 GLN 18 HB2 GLN 18 30.248 23.651 -12.608 129 HB3 GLN 18 HB3 GLN 18 29.545 22.046 -12.757 130 HG2 GLN 18 HG2 GLN 18 27.470 22.859 -11.762 131 HG3 GLN 18 HG3 GLN 18 28.174 24.469 -11.611 132 HE21 GLN 18 HE21 GLN 18 25.966 22.991 -13.272 133 HE22 GLN 18 HE22 GLN 18 26.169 23.681 -14.843 134 H ASN 19 H ASN 19 31.857 21.150 -11.762 135 HA ASN 19 HA ASN 19 30.687 18.619 -11.617 136 HB2 ASN 19 HB2 ASN 19 33.212 19.722 -12.397 137 HB3 ASN 19 HB3 ASN 19 33.499 18.300 -11.399 138 HD21 ASN 19 HD21 ASN 19 31.558 19.420 -14.137 139 HD22 ASN 19 HD22 ASN 19 31.585 17.919 -14.993 140 H LEU 20 H LEU 20 33.056 20.134 -9.434 141 HA LEU 20 HA LEU 20 33.182 17.997 -7.603 142 HB2 LEU 20 HB2 LEU 20 33.991 20.839 -7.637 143 HB3 LEU 20 HB3 LEU 20 33.804 20.097 -6.050 144 HG LEU 20 HG LEU 20 36.134 20.083 -6.926 145 HD11 LEU 20 HD11 LEU 20 36.017 17.316 -6.776 146 HD12 LEU 20 HD12 LEU 20 34.617 17.866 -5.855 147 HD13 LEU 20 HD13 LEU 20 36.230 18.440 -5.433 148 HD21 LEU 20 HD21 LEU 20 36.742 19.098 -8.864 149 HD22 LEU 20 HD22 LEU 20 35.071 19.446 -9.310 150 HD23 LEU 20 HD23 LEU 20 35.515 17.837 -8.738 151 H SER 21 H SER 21 30.828 20.443 -8.123 152 HA SER 21 HA SER 21 29.700 20.463 -5.503 153 HB2 SER 21 HB2 SER 21 29.435 22.127 -7.574 154 HB3 SER 21 HB3 SER 21 28.015 21.125 -7.871 155 HG SER 21 HG SER 21 27.541 22.907 -6.517 156 H VAL 22 H VAL 22 28.575 19.031 -8.571 157 HA VAL 22 HA VAL 22 26.523 17.507 -7.287 158 HB VAL 22 HB VAL 22 26.237 16.422 -9.491 159 HG11 VAL 22 HG11 VAL 22 25.114 18.542 -8.976 160 HG12 VAL 22 HG12 VAL 22 26.489 19.424 -9.644 161 HG13 VAL 22 HG13 VAL 22 25.501 18.403 -10.691 162 HG21 VAL 22 HG21 VAL 22 28.191 16.222 -10.616 163 HG22 VAL 22 HG22 VAL 22 27.688 17.765 -11.306 164 HG23 VAL 22 HG23 VAL 22 28.842 17.729 -9.972 165 H MET 23 H MET 23 29.758 16.812 -8.526 166 HA MET 23 HA MET 23 29.603 14.002 -8.027 167 HB2 MET 23 HB2 MET 23 32.021 15.766 -8.454 168 HB3 MET 23 HB3 MET 23 32.019 14.008 -8.493 169 HG2 MET 23 HG2 MET 23 30.225 15.531 -10.325 170 HG3 MET 23 HG3 MET 23 31.939 15.369 -10.702 171 HE1 MET 23 HE1 MET 23 28.770 12.739 -11.969 172 HE2 MET 23 HE2 MET 23 28.522 12.983 -10.240 173 HE3 MET 23 HE3 MET 23 28.733 14.374 -11.306 174 H GLY 24 H GLY 24 31.176 16.728 -6.365 175 HA2 GLY 24 HA2 GLY 24 32.297 15.221 -4.267 176 HA3 GLY 24 HA3 GLY 24 31.956 16.945 -4.218 177 H LEU 25 H LEU 25 29.089 16.549 -4.716 178 HA LEU 25 HA LEU 25 28.292 16.187 -1.984 179 HB2 LEU 25 HB2 LEU 25 26.936 16.948 -4.525 180 HB3 LEU 25 HB3 LEU 25 25.951 16.418 -3.165 181 HG LEU 25 HG LEU 25 26.537 18.977 -3.617 182 HD11 LEU 25 HD11 LEU 25 25.045 18.695 -1.935 183 HD12 LEU 25 HD12 LEU 25 26.454 19.107 -0.958 184 HD13 LEU 25 HD13 LEU 25 25.986 17.419 -1.161 185 HD21 LEU 25 HD21 LEU 25 28.369 19.746 -2.283 186 HD22 LEU 25 HD22 LEU 25 28.979 18.530 -3.406 187 HD23 LEU 25 HD23 LEU 25 28.708 18.110 -1.714 188 H ARG 26 H ARG 26 27.959 14.370 -4.987 189 HA ARG 26 HA ARG 26 26.254 12.366 -3.858 190 HB2 ARG 26 HB2 ARG 26 26.603 13.071 -6.358 191 HB3 ARG 26 HB3 ARG 26 27.918 11.905 -6.304 192 HG2 ARG 26 HG2 ARG 26 26.449 10.116 -5.851 193 HG3 ARG 26 HG3 ARG 26 25.111 11.212 -5.495 194 HD2 ARG 26 HD2 ARG 26 24.759 11.715 -7.726 195 HD3 ARG 26 HD3 ARG 26 26.399 11.262 -8.191 196 HE ARG 26 HE ARG 26 25.333 8.919 -7.382 197 HH11 ARG 26 HH11 ARG 26 24.262 11.375 -9.604 198 HH12 ARG 26 HH12 ARG 26 23.399 10.266 -10.618 199 HH21 ARG 26 HH21 ARG 26 24.202 7.449 -8.710 200 HH22 ARG 26 HH22 ARG 26 23.366 8.033 -10.108 201 H ILE 27 H ILE 27 29.712 12.650 -4.516 202 HA ILE 27 HA ILE 27 30.391 9.992 -3.820 203 HB ILE 27 HB ILE 27 31.846 12.468 -4.406 204 HG12 ILE 27 HG12 ILE 27 33.269 10.939 -5.652 205 HG13 ILE 27 HG13 ILE 27 32.534 9.555 -4.848 206 HG21 ILE 27 HG21 ILE 27 32.975 10.470 -2.460 207 HG22 ILE 27 HG22 ILE 27 33.968 11.594 -3.388 208 HG23 ILE 27 HG23 ILE 27 32.781 12.208 -2.236 209 HD11 ILE 27 HD11 ILE 27 30.698 9.602 -6.156 210 HD12 ILE 27 HD12 ILE 27 30.714 11.360 -6.310 211 HD13 ILE 27 HD13 ILE 27 31.819 10.380 -7.273 212 H LEU 28 H LEU 28 30.260 13.005 -1.974 213 HA LEU 28 HA LEU 28 31.346 11.931 0.418 214 HB2 LEU 28 HB2 LEU 28 31.474 14.221 0.360 215 HB3 LEU 28 HB3 LEU 28 29.865 14.401 -0.336 216 HG LEU 28 HG LEU 28 30.047 13.400 2.454 217 HD11 LEU 28 HD11 LEU 28 30.181 15.717 3.300 218 HD12 LEU 28 HD12 LEU 28 30.566 16.264 1.668 219 HD13 LEU 28 HD13 LEU 28 31.668 15.181 2.518 220 HD21 LEU 28 HD21 LEU 28 28.212 15.543 1.959 221 HD22 LEU 28 HD22 LEU 28 27.879 13.866 2.392 222 HD23 LEU 28 HD23 LEU 28 28.056 14.320 0.697 223 H LEU 29 H LEU 29 28.021 12.486 -0.694 224 HA LEU 29 HA LEU 29 26.647 11.740 1.591 225 HB2 LEU 29 HB2 LEU 29 25.206 12.554 0.049 226 HB3 LEU 29 HB3 LEU 29 26.059 11.806 -1.300 227 HG LEU 29 HG LEU 29 24.574 9.985 0.499 228 HD11 LEU 29 HD11 LEU 29 23.267 12.079 -1.195 229 HD12 LEU 29 HD12 LEU 29 22.865 11.553 0.439 230 HD13 LEU 29 HD13 LEU 29 22.500 10.511 -0.935 231 HD21 LEU 29 HD21 LEU 29 25.838 9.811 -1.948 232 HD22 LEU 29 HD22 LEU 29 24.125 9.855 -2.369 233 HD23 LEU 29 HD23 LEU 29 24.730 8.623 -1.260 234 H LEU 30 H LEU 30 27.801 9.687 -1.067 235 HA LEU 30 HA LEU 30 26.794 7.266 0.014 236 HB2 LEU 30 HB2 LEU 30 28.035 8.075 -2.345 237 HB3 LEU 30 HB3 LEU 30 29.149 6.912 -1.626 238 HG LEU 30 HG LEU 30 27.422 5.214 -1.617 239 HD11 LEU 30 HD11 LEU 30 25.257 5.726 -2.807 240 HD12 LEU 30 HD12 LEU 30 25.671 7.432 -2.645 241 HD13 LEU 30 HD13 LEU 30 25.443 6.440 -1.205 242 HD21 LEU 30 HD21 LEU 30 28.490 4.972 -3.604 243 HD22 LEU 30 HD22 LEU 30 28.159 6.628 -4.113 244 HD23 LEU 30 HD23 LEU 30 26.895 5.400 -4.223 245 H LYS 31 H LYS 31 29.673 9.120 0.556 246 HA LYS 31 HA LYS 31 31.218 7.029 1.733 247 HB2 LYS 31 HB2 LYS 31 32.575 8.752 1.029 248 HB3 LYS 31 HB3 LYS 31 31.434 9.996 1.523 249 HG2 LYS 31 HG2 LYS 31 32.148 9.964 3.721 250 HG3 LYS 31 HG3 LYS 31 32.832 8.342 3.582 251 HD2 LYS 31 HD2 LYS 31 34.747 9.095 2.541 252 HD3 LYS 31 HD3 LYS 31 33.967 10.557 1.932 253 HE2 LYS 31 HE2 LYS 31 34.067 11.609 4.035 254 HE3 LYS 31 HE3 LYS 31 34.424 10.095 4.866 255 HZ1 LYS 31 HZ1 LYS 31 36.581 10.047 3.794 256 HZ2 LYS 31 HZ2 LYS 31 36.389 11.489 4.655 257 HZ3 LYS 31 HZ3 LYS 31 36.240 11.485 2.971 258 H VAL 32 H VAL 32 28.717 9.128 2.855 259 HA VAL 32 HA VAL 32 29.280 8.423 5.650 260 HB VAL 32 HB VAL 32 27.696 10.173 6.270 261 HG11 VAL 32 HG11 VAL 32 29.917 10.884 4.387 262 HG12 VAL 32 HG12 VAL 32 28.950 12.134 5.172 263 HG13 VAL 32 HG13 VAL 32 29.875 10.990 6.147 264 HG21 VAL 32 HG21 VAL 32 27.432 10.729 3.317 265 HG22 VAL 32 HG22 VAL 32 26.211 9.927 4.304 266 HG23 VAL 32 HG23 VAL 32 26.648 11.604 4.632 267 H ALA 33 H ALA 33 27.143 7.799 3.034 268 HA ALA 33 HA ALA 33 24.787 7.083 4.318 269 HB1 ALA 33 HB1 ALA 33 25.391 7.191 1.791 270 HB2 ALA 33 HB2 ALA 33 25.782 5.484 1.999 271 HB3 ALA 33 HB3 ALA 33 24.154 6.064 2.346 272 H GLY 34 H GLY 34 27.859 5.510 4.311 273 HA2 GLY 34 HA2 GLY 34 27.826 3.926 6.369 274 HA3 GLY 34 HA3 GLY 34 26.688 3.032 5.372 275 H PHE 35 H PHE 35 28.436 4.088 3.019 276 HA PHE 35 HA PHE 35 30.206 1.771 3.036 277 HB2 PHE 35 HB2 PHE 35 28.682 2.308 1.087 278 HB3 PHE 35 HB3 PHE 35 29.714 3.695 0.761 279 HD1 PHE 35 HD1 PHE 35 31.443 3.449 -0.730 280 HD2 PHE 35 HD2 PHE 35 29.957 0.014 1.297 281 HE1 PHE 35 HE1 PHE 35 32.946 2.020 -2.056 282 HE2 PHE 35 HE2 PHE 35 31.459 -1.420 -0.024 283 HZ PHE 35 HZ PHE 35 32.956 -0.417 -1.702 284 H ASN 36 H ASN 36 31.259 3.330 4.820 285 HA ASN 36 HA ASN 36 33.839 3.812 4.153 286 HB2 ASN 36 HB2 ASN 36 32.125 5.900 3.072 287 HB3 ASN 36 HB3 ASN 36 33.348 6.554 4.158 288 HD21 ASN 36 HD21 ASN 36 33.105 6.879 1.298 289 HD22 ASN 36 HD22 ASN 36 34.563 6.263 0.607 290 H LEU 37 H LEU 37 31.401 5.919 5.690 291 HA LEU 37 HA LEU 37 32.930 6.609 7.915 292 HB2 LEU 37 HB2 LEU 37 31.059 7.924 7.590 293 HB3 LEU 37 HB3 LEU 37 30.001 6.537 7.343 294 HG LEU 37 HG LEU 37 31.169 6.908 10.048 295 HD11 LEU 37 HD11 LEU 37 29.335 8.822 8.727 296 HD12 LEU 37 HD12 LEU 37 30.526 9.084 10.000 297 HD13 LEU 37 HD13 LEU 37 28.968 8.353 10.386 298 HD21 LEU 37 HD21 LEU 37 28.681 5.805 8.818 299 HD22 LEU 37 HD22 LEU 37 28.685 6.279 10.516 300 HD23 LEU 37 HD23 LEU 37 29.810 5.047 9.941 301 H LEU 38 H LEU 38 30.694 3.910 7.432 302 HA LEU 38 HA LEU 38 30.576 2.899 10.000 303 HB2 LEU 38 HB2 LEU 38 29.173 1.773 8.615 304 HB3 LEU 38 HB3 LEU 38 30.325 1.759 7.281 305 HG LEU 38 HG LEU 38 30.916 0.045 9.637 306 HD11 LEU 38 HD11 LEU 38 28.823 -0.805 9.540 307 HD12 LEU 38 HD12 LEU 38 29.505 -1.697 8.181 308 HD13 LEU 38 HD13 LEU 38 28.550 -0.244 7.890 309 HD21 LEU 38 HD21 LEU 38 32.416 -0.771 8.223 310 HD22 LEU 38 HD22 LEU 38 31.899 0.414 7.023 311 HD23 LEU 38 HD23 LEU 38 31.150 -1.182 7.066 312 H MET 39 H MET 39 33.191 2.794 7.708 313 HA MET 39 HA MET 39 34.700 0.675 8.662 314 HB2 MET 39 HB2 MET 39 35.209 2.018 6.627 315 HB3 MET 39 HB3 MET 39 35.772 3.319 7.666 316 HG2 MET 39 HG2 MET 39 37.355 1.506 8.637 317 HG3 MET 39 HG3 MET 39 37.002 0.656 7.134 318 HE1 MET 39 HE1 MET 39 40.392 1.783 6.055 319 HE2 MET 39 HE2 MET 39 39.437 0.554 6.885 320 HE3 MET 39 HE3 MET 39 39.057 0.988 5.217 321 H THR 40 H THR 40 34.393 3.951 9.906 322 HA THR 40 HA THR 40 36.505 4.052 11.682 323 HB THR 40 HB THR 40 35.173 5.632 13.012 324 HG1 THR 40 HG1 THR 40 33.094 5.258 13.057 325 HG21 THR 40 HG21 THR 40 34.256 6.801 10.652 326 HG22 THR 40 HG22 THR 40 35.630 5.809 10.163 327 HG23 THR 40 HG23 THR 40 35.830 7.040 11.409 328 H LEU 41 H LEU 41 33.180 2.995 12.435 329 HA LEU 41 HA LEU 41 33.848 2.044 15.024 330 HB2 LEU 41 HB2 LEU 41 31.603 2.639 14.658 331 HB3 LEU 41 HB3 LEU 41 31.490 1.641 13.210 332 HG LEU 41 HG LEU 41 31.983 0.286 15.812 333 HD11 LEU 41 HD11 LEU 41 30.035 2.109 15.843 334 HD12 LEU 41 HD12 LEU 41 29.909 0.560 16.674 335 HD13 LEU 41 HD13 LEU 41 29.158 0.775 15.094 336 HD21 LEU 41 HD21 LEU 41 29.987 -0.941 14.266 337 HD22 LEU 41 HD22 LEU 41 31.659 -1.458 14.477 338 HD23 LEU 41 HD23 LEU 41 31.226 -0.400 13.134 339 H ARG 42 H ARG 42 33.826 0.605 11.844 340 HA ARG 42 HA ARG 42 33.752 -2.089 12.399 341 HB2 ARG 42 HB2 ARG 42 33.919 -0.943 10.131 342 HB3 ARG 42 HB3 ARG 42 35.656 -0.882 10.397 343 HG2 ARG 42 HG2 ARG 42 35.652 -3.354 10.628 344 HG3 ARG 42 HG3 ARG 42 33.941 -3.346 10.196 345 HD2 ARG 42 HD2 ARG 42 35.160 -3.824 8.213 346 HD3 ARG 42 HD3 ARG 42 34.582 -2.164 8.079 347 HE ARG 42 HE ARG 42 36.754 -1.455 8.045 348 HH11 ARG 42 HH11 ARG 42 36.646 -4.712 9.270 349 HH12 ARG 42 HH12 ARG 42 38.369 -4.901 9.289 350 HH21 ARG 42 HH21 ARG 42 39.023 -1.691 8.066 351 HH22 ARG 42 HH22 ARG 42 39.719 -3.181 8.605 352 H LEU 43 H LEU 43 36.361 0.180 12.920 353 HA LEU 43 HA LEU 43 38.021 -2.012 13.976 354 HB2 LEU 43 HB2 LEU 43 38.706 -0.243 12.050 355 HB3 LEU 43 HB3 LEU 43 39.267 0.612 13.485 356 HG LEU 43 HG LEU 43 41.048 -0.695 12.413 357 HD11 LEU 43 HD11 LEU 43 40.833 -0.306 14.939 358 HD12 LEU 43 HD12 LEU 43 41.966 -1.536 14.381 359 HD13 LEU 43 HD13 LEU 43 40.394 -2.011 15.025 360 HD21 LEU 43 HD21 LEU 43 40.997 -3.018 12.188 361 HD22 LEU 43 HD22 LEU 43 39.398 -2.505 11.653 362 HD23 LEU 43 HD23 LEU 43 39.612 -3.187 13.266 363 H TRP 44 H TRP 44 36.509 1.038 14.653 364 HA TRP 44 HA TRP 44 37.765 1.153 17.300 365 HB2 TRP 44 HB2 TRP 44 37.440 3.167 15.603 366 HB3 TRP 44 HB3 TRP 44 35.849 3.240 16.359 367 HD1 TRP 44 HD1 TRP 44 35.693 4.276 18.754 368 HE1 TRP 44 HE1 TRP 44 37.395 5.397 20.326 369 HE3 TRP 44 HE3 TRP 44 40.005 3.030 16.305 370 HZ2 TRP 44 HZ2 TRP 44 40.194 5.713 20.504 371 HZ3 TRP 44 HZ3 TRP 44 42.153 3.782 17.242 372 HH2 TRP 44 HH2 TRP 44 42.243 5.096 19.298 373 H SER 45 H SER 45 36.697 0.624 19.100 374 HA SER 45 HA SER 45 34.344 -0.808 19.116 375 HB2 SER 45 HB2 SER 45 35.240 0.911 21.433 376 HB3 SER 45 HB3 SER 45 34.357 -0.614 21.495 377 HG SER 45 HG SER 45 36.557 -0.932 21.960 378 H SER 46 H SER 46 32.214 -0.357 19.204 379 HA SER 46 HA SER 46 30.293 0.830 18.909 380 HB2 SER 46 HB2 SER 46 31.541 2.888 20.734 381 HB3 SER 46 HB3 SER 46 29.830 2.510 20.538 382 HG SER 46 HG SER 46 30.107 1.149 22.103 Start of MODEL 6 1 H1 ASP 1 H ASP 1 10.045 -2.990 -4.265 2 HA ASP 1 HA ASP 1 7.980 -3.576 -5.656 3 HB2 ASP 1 HB2 ASP 1 7.271 -5.361 -4.137 4 HB3 ASP 1 HB3 ASP 1 7.031 -4.184 -2.848 5 H ALA 2 H ALA 2 8.018 -2.143 -2.390 6 HA ALA 2 HA ALA 2 6.533 0.163 -3.330 7 HB1 ALA 2 HB1 ALA 2 5.798 -0.063 -1.232 8 HB2 ALA 2 HB2 ALA 2 7.205 -1.009 -0.743 9 HB3 ALA 2 HB3 ALA 2 7.291 0.752 -0.767 10 H THR 3 H THR 3 7.503 1.831 -4.258 11 HA THR 3 HA THR 3 10.225 2.205 -4.550 12 HB THR 3 HB THR 3 8.645 4.699 -4.439 13 HG1 THR 3 HG1 THR 3 7.144 4.102 -5.846 14 HG21 THR 3 HG21 THR 3 10.526 5.103 -5.633 15 HG22 THR 3 HG22 THR 3 9.569 4.453 -6.964 16 HG23 THR 3 HG23 THR 3 10.711 3.416 -6.110 17 H LEU 4 H LEU 4 11.672 3.797 -3.665 18 HA LEU 4 HA LEU 4 11.093 4.399 -0.840 19 HB2 LEU 4 HB2 LEU 4 13.126 2.886 -1.840 20 HB3 LEU 4 HB3 LEU 4 13.893 4.467 -1.712 21 HG LEU 4 HG LEU 4 14.363 3.190 0.269 22 HD11 LEU 4 HD11 LEU 4 13.392 4.682 1.988 23 HD12 LEU 4 HD12 LEU 4 12.324 5.356 0.756 24 HD13 LEU 4 HD13 LEU 4 14.070 5.553 0.612 25 HD21 LEU 4 HD21 LEU 4 11.617 2.368 -0.035 26 HD22 LEU 4 HD22 LEU 4 11.921 2.960 1.599 27 HD23 LEU 4 HD23 LEU 4 12.903 1.653 0.936 28 H THR 5 H THR 5 10.287 6.099 -2.977 29 HA THR 5 HA THR 5 10.344 8.276 -3.649 30 HB THR 5 HB THR 5 11.880 8.806 -1.105 31 HG1 THR 5 HG1 THR 5 10.086 7.634 -0.491 32 HG21 THR 5 HG21 THR 5 10.718 10.956 -1.173 33 HG22 THR 5 HG22 THR 5 9.907 10.478 -2.665 34 HG23 THR 5 HG23 THR 5 11.656 10.702 -2.644 35 H GLU 6 H GLU 6 11.751 7.836 -5.419 36 HA GLU 6 HA GLU 6 14.580 8.481 -5.003 37 HB2 GLU 6 HB2 GLU 6 13.219 7.361 -7.459 38 HB3 GLU 6 HB3 GLU 6 14.952 7.542 -7.221 39 HG2 GLU 6 HG2 GLU 6 13.159 5.770 -5.579 40 HG3 GLU 6 HG3 GLU 6 14.175 5.232 -6.915 41 H LYS 7 H LYS 7 15.584 10.179 -6.001 42 HA LYS 7 HA LYS 7 13.804 12.152 -7.256 43 HB2 LYS 7 HB2 LYS 7 16.458 12.477 -5.851 44 HB3 LYS 7 HB3 LYS 7 15.631 13.782 -6.691 45 HG2 LYS 7 HG2 LYS 7 13.774 12.598 -4.913 46 HG3 LYS 7 HG3 LYS 7 15.275 12.871 -4.026 47 HD2 LYS 7 HD2 LYS 7 13.814 14.942 -5.665 48 HD3 LYS 7 HD3 LYS 7 13.750 14.802 -3.908 49 HE2 LYS 7 HE2 LYS 7 16.387 14.910 -4.185 50 HE3 LYS 7 HE3 LYS 7 15.946 15.756 -5.667 51 HZ1 LYS 7 HZ1 LYS 7 14.478 17.167 -4.176 52 HZ2 LYS 7 HZ2 LYS 7 16.147 17.416 -4.064 53 HZ3 LYS 7 HZ3 LYS 7 15.344 16.518 -2.876 54 H SER 8 H SER 8 17.316 11.628 -7.440 55 HA SER 8 HA SER 8 18.751 11.659 -9.211 56 HB2 SER 8 HB2 SER 8 16.509 9.886 -10.026 57 HB3 SER 8 HB3 SER 8 17.632 10.381 -11.293 58 HG SER 8 HG SER 8 18.274 8.442 -10.223 59 H PHE 9 H PHE 9 18.732 13.902 -9.543 60 HA PHE 9 HA PHE 9 18.069 14.747 -12.134 61 HB2 PHE 9 HB2 PHE 9 15.809 14.707 -10.631 62 HB3 PHE 9 HB3 PHE 9 16.378 16.343 -10.311 63 HD1 PHE 9 HD1 PHE 9 17.545 17.139 -12.849 64 HD2 PHE 9 HD2 PHE 9 14.009 14.905 -12.059 65 HE1 PHE 9 HE1 PHE 9 16.596 17.890 -14.992 66 HE2 PHE 9 HE2 PHE 9 13.055 15.650 -14.200 67 HZ PHE 9 HZ PHE 9 14.348 17.144 -15.670 68 H GLU 10 H GLU 10 20.319 14.849 -10.490 69 HA GLU 10 HA GLU 10 20.769 17.737 -10.424 70 HB2 GLU 10 HB2 GLU 10 21.313 15.847 -8.135 71 HB3 GLU 10 HB3 GLU 10 22.059 17.434 -8.265 72 HG2 GLU 10 HG2 GLU 10 19.085 17.088 -8.324 73 HG3 GLU 10 HG3 GLU 10 19.980 17.205 -6.809 74 H THR 11 H THR 11 21.561 15.800 -12.334 75 HA THR 11 HA THR 11 24.468 16.075 -12.104 76 HB THR 11 HB THR 11 23.243 13.508 -13.108 77 HG1 THR 11 HG1 THR 11 22.757 13.682 -10.894 78 HG21 THR 11 HG21 THR 11 25.994 14.535 -12.608 79 HG22 THR 11 HG22 THR 11 25.386 13.527 -13.921 80 HG23 THR 11 HG23 THR 11 25.678 12.823 -12.331 81 H ASP 12 H ASP 12 23.879 17.849 -13.594 82 HA ASP 12 HA ASP 12 23.973 16.886 -16.351 83 HB2 ASP 12 HB2 ASP 12 22.054 19.042 -15.442 84 HB3 ASP 12 HB3 ASP 12 22.279 18.478 -17.096 85 H MET 13 H MET 13 26.004 17.945 -14.655 86 HA MET 13 HA MET 13 27.177 19.824 -16.373 87 HB2 MET 13 HB2 MET 13 27.191 21.801 -14.847 88 HB3 MET 13 HB3 MET 13 25.609 21.433 -15.522 89 HG2 MET 13 HG2 MET 13 25.153 20.178 -13.362 90 HG3 MET 13 HG3 MET 13 26.598 20.964 -12.732 91 HE1 MET 13 HE1 MET 13 22.664 22.430 -12.040 92 HE2 MET 13 HE2 MET 13 23.298 20.816 -12.363 93 HE3 MET 13 HE3 MET 13 23.905 21.744 -10.991 94 H ASN 14 H ASN 14 29.225 19.217 -16.196 95 HA ASN 14 HA ASN 14 30.506 19.180 -13.593 96 HB2 ASN 14 HB2 ASN 14 31.577 16.894 -14.327 97 HB3 ASN 14 HB3 ASN 14 30.017 16.921 -13.509 98 HD21 ASN 14 HD21 ASN 14 31.640 16.540 -16.573 99 HD22 ASN 14 HD22 ASN 14 30.329 15.765 -17.392 100 H LEU 15 H LEU 15 32.173 20.494 -13.914 101 HA LEU 15 HA LEU 15 34.180 19.879 -15.856 102 HB2 LEU 15 HB2 LEU 15 32.145 21.838 -16.491 103 HB3 LEU 15 HB3 LEU 15 33.756 22.551 -16.492 104 HG LEU 15 HG LEU 15 33.162 20.052 -18.043 105 HD11 LEU 15 HD11 LEU 15 32.710 22.903 -18.900 106 HD12 LEU 15 HD12 LEU 15 31.523 21.601 -18.831 107 HD13 LEU 15 HD13 LEU 15 32.829 21.540 -20.014 108 HD21 LEU 15 HD21 LEU 15 35.491 20.577 -17.750 109 HD22 LEU 15 HD22 LEU 15 35.224 22.242 -18.266 110 HD23 LEU 15 HD23 LEU 15 35.033 20.920 -19.418 111 H ASN 16 H ASN 16 32.917 22.559 -13.874 112 HA ASN 16 HA ASN 16 35.611 22.828 -12.708 113 HB2 ASN 16 HB2 ASN 16 33.605 25.053 -13.132 114 HB3 ASN 16 HB3 ASN 16 35.230 25.220 -12.474 115 HD21 ASN 16 HD21 ASN 16 36.697 23.674 -14.163 116 HD22 ASN 16 HD22 ASN 16 36.661 24.342 -15.756 117 H PHE 17 H PHE 17 33.786 25.033 -11.211 118 HA PHE 17 HA PHE 17 33.749 23.838 -8.729 119 HB2 PHE 17 HB2 PHE 17 31.787 25.914 -9.725 120 HB3 PHE 17 HB3 PHE 17 32.192 25.586 -8.043 121 HD1 PHE 17 HD1 PHE 17 32.519 28.048 -10.187 122 HD2 PHE 17 HD2 PHE 17 35.085 25.386 -8.080 123 HE1 PHE 17 HE1 PHE 17 34.332 29.707 -10.307 124 HE2 PHE 17 HE2 PHE 17 36.901 27.040 -8.196 125 HZ PHE 17 HZ PHE 17 36.526 29.204 -9.309 126 H GLN 18 H GLN 18 31.350 23.682 -11.284 127 HA GLN 18 HA GLN 18 29.267 22.526 -9.766 128 HB2 GLN 18 HB2 GLN 18 29.779 22.154 -12.720 129 HB3 GLN 18 HB3 GLN 18 28.242 21.983 -11.881 130 HG2 GLN 18 HG2 GLN 18 29.800 24.533 -12.243 131 HG3 GLN 18 HG3 GLN 18 28.331 24.070 -13.101 132 HE21 GLN 18 HE21 GLN 18 26.509 24.846 -12.327 133 HE22 GLN 18 HE22 GLN 18 26.240 25.402 -10.714 134 H ASN 19 H ASN 19 31.938 21.141 -11.612 135 HA ASN 19 HA ASN 19 31.190 18.466 -11.577 136 HB2 ASN 19 HB2 ASN 19 33.351 19.844 -12.502 137 HB3 ASN 19 HB3 ASN 19 34.064 18.970 -11.149 138 HD21 ASN 19 HD21 ASN 19 34.393 18.703 -14.077 139 HD22 ASN 19 HD22 ASN 19 34.060 17.042 -14.421 140 H LEU 20 H LEU 20 33.501 20.005 -9.333 141 HA LEU 20 HA LEU 20 33.549 17.848 -7.523 142 HB2 LEU 20 HB2 LEU 20 34.453 19.628 -5.928 143 HB3 LEU 20 HB3 LEU 20 35.368 19.288 -7.396 144 HG LEU 20 HG LEU 20 33.454 21.492 -7.659 145 HD11 LEU 20 HD11 LEU 20 34.989 23.061 -6.433 146 HD12 LEU 20 HD12 LEU 20 35.719 21.642 -5.685 147 HD13 LEU 20 HD13 LEU 20 34.014 22.003 -5.413 148 HD21 LEU 20 HD21 LEU 20 36.401 21.625 -8.118 149 HD22 LEU 20 HD22 LEU 20 35.088 22.388 -9.015 150 HD23 LEU 20 HD23 LEU 20 35.390 20.659 -9.192 151 H SER 21 H SER 21 31.301 20.403 -7.998 152 HA SER 21 HA SER 21 30.194 20.448 -5.371 153 HB2 SER 21 HB2 SER 21 29.402 21.532 -8.040 154 HB3 SER 21 HB3 SER 21 28.178 21.447 -6.772 155 HG SER 21 HG SER 21 29.082 23.097 -5.855 156 H VAL 22 H VAL 22 28.990 19.080 -8.438 157 HA VAL 22 HA VAL 22 26.884 17.635 -7.146 158 HB VAL 22 HB VAL 22 26.538 16.575 -9.354 159 HG11 VAL 22 HG11 VAL 22 26.761 19.263 -10.330 160 HG12 VAL 22 HG12 VAL 22 25.318 18.362 -9.864 161 HG13 VAL 22 HG13 VAL 22 26.218 19.275 -8.652 162 HG21 VAL 22 HG21 VAL 22 28.031 17.874 -11.169 163 HG22 VAL 22 HG22 VAL 22 29.193 17.770 -9.846 164 HG23 VAL 22 HG23 VAL 22 28.469 16.302 -10.500 165 H MET 23 H MET 23 30.080 16.816 -8.414 166 HA MET 23 HA MET 23 29.817 14.012 -7.940 167 HB2 MET 23 HB2 MET 23 32.296 15.693 -8.354 168 HB3 MET 23 HB3 MET 23 32.239 13.936 -8.392 169 HG2 MET 23 HG2 MET 23 30.565 15.596 -10.239 170 HG3 MET 23 HG3 MET 23 32.240 15.196 -10.614 171 HE1 MET 23 HE1 MET 23 29.687 14.013 -12.673 172 HE2 MET 23 HE2 MET 23 31.407 14.401 -12.737 173 HE3 MET 23 HE3 MET 23 30.862 12.750 -13.038 174 H GLY 24 H GLY 24 31.479 16.660 -6.241 175 HA2 GLY 24 HA2 GLY 24 32.550 15.092 -4.163 176 HA3 GLY 24 HA3 GLY 24 32.261 16.824 -4.089 177 H LEU 25 H LEU 25 29.411 16.634 -4.536 178 HA LEU 25 HA LEU 25 28.595 16.215 -1.832 179 HB2 LEU 25 HB2 LEU 25 27.271 17.070 -4.356 180 HB3 LEU 25 HB3 LEU 25 26.261 16.540 -3.013 181 HG LEU 25 HG LEU 25 26.922 19.089 -3.399 182 HD11 LEU 25 HD11 LEU 25 26.500 19.450 -1.008 183 HD12 LEU 25 HD12 LEU 25 26.733 17.727 -0.716 184 HD13 LEU 25 HD13 LEU 25 25.384 18.277 -1.710 185 HD21 LEU 25 HD21 LEU 25 28.778 19.771 -2.046 186 HD22 LEU 25 HD22 LEU 25 29.350 18.578 -3.214 187 HD23 LEU 25 HD23 LEU 25 29.079 18.109 -1.535 188 H ARG 26 H ARG 26 28.192 14.455 -4.859 189 HA ARG 26 HA ARG 26 26.417 12.497 -3.754 190 HB2 ARG 26 HB2 ARG 26 26.351 12.976 -6.130 191 HB3 ARG 26 HB3 ARG 26 28.040 12.518 -6.304 192 HG2 ARG 26 HG2 ARG 26 27.509 10.384 -6.577 193 HG3 ARG 26 HG3 ARG 26 26.512 10.381 -5.122 194 HD2 ARG 26 HD2 ARG 26 24.590 10.945 -6.280 195 HD3 ARG 26 HD3 ARG 26 25.487 11.649 -7.625 196 HE ARG 26 HE ARG 26 25.468 9.604 -8.622 197 HH11 ARG 26 HH11 ARG 26 24.981 9.168 -5.203 198 HH12 ARG 26 HH12 ARG 26 24.726 7.459 -5.325 199 HH21 ARG 26 HH21 ARG 26 25.134 7.353 -8.795 200 HH22 ARG 26 HH22 ARG 26 24.813 6.428 -7.369 201 H ILE 27 H ILE 27 29.884 12.740 -4.289 202 HA ILE 27 HA ILE 27 30.509 10.035 -3.726 203 HB ILE 27 HB ILE 27 32.000 12.509 -4.155 204 HG12 ILE 27 HG12 ILE 27 33.495 11.006 -5.348 205 HG13 ILE 27 HG13 ILE 27 32.723 9.607 -4.610 206 HG21 ILE 27 HG21 ILE 27 33.052 10.472 -2.202 207 HG22 ILE 27 HG22 ILE 27 34.065 11.649 -3.036 208 HG23 ILE 27 HG23 ILE 27 32.805 12.197 -1.930 209 HD11 ILE 27 HD11 ILE 27 30.957 9.674 -6.012 210 HD12 ILE 27 HD12 ILE 27 30.978 11.434 -6.136 211 HD13 ILE 27 HD13 ILE 27 32.136 10.470 -7.055 212 H LEU 28 H LEU 28 30.312 12.937 -1.719 213 HA LEU 28 HA LEU 28 31.273 11.680 0.651 214 HB2 LEU 28 HB2 LEU 28 29.766 14.227 0.135 215 HB3 LEU 28 HB3 LEU 28 30.211 13.707 1.759 216 HG LEU 28 HG LEU 28 32.080 14.436 -0.494 217 HD11 LEU 28 HD11 LEU 28 31.043 16.335 0.637 218 HD12 LEU 28 HD12 LEU 28 32.764 16.232 1.005 219 HD13 LEU 28 HD13 LEU 28 31.575 15.703 2.195 220 HD21 LEU 28 HD21 LEU 28 32.585 13.175 2.182 221 HD22 LEU 28 HD22 LEU 28 33.813 14.143 1.365 222 HD23 LEU 28 HD23 LEU 28 33.183 12.685 0.596 223 H LEU 29 H LEU 29 28.037 12.476 -0.569 224 HA LEU 29 HA LEU 29 26.519 11.687 1.604 225 HB2 LEU 29 HB2 LEU 29 25.177 12.634 0.056 226 HB3 LEU 29 HB3 LEU 29 26.081 11.954 -1.296 227 HG LEU 29 HG LEU 29 24.412 10.092 0.301 228 HD11 LEU 29 HD11 LEU 29 22.720 11.631 0.163 229 HD12 LEU 29 HD12 LEU 29 22.527 10.795 -1.377 230 HD13 LEU 29 HD13 LEU 29 23.348 12.355 -1.318 231 HD21 LEU 29 HD21 LEU 29 25.228 8.883 -1.404 232 HD22 LEU 29 HD22 LEU 29 25.580 10.310 -2.381 233 HD23 LEU 29 HD23 LEU 29 23.945 9.649 -2.340 234 H LEU 30 H LEU 30 27.778 9.715 -1.057 235 HA LEU 30 HA LEU 30 26.583 7.293 -0.130 236 HB2 LEU 30 HB2 LEU 30 27.839 8.134 -2.445 237 HB3 LEU 30 HB3 LEU 30 28.961 6.958 -1.766 238 HG LEU 30 HG LEU 30 27.226 5.256 -1.788 239 HD11 LEU 30 HD11 LEU 30 25.492 7.491 -2.810 240 HD12 LEU 30 HD12 LEU 30 25.249 6.491 -1.377 241 HD13 LEU 30 HD13 LEU 30 25.075 5.786 -2.985 242 HD21 LEU 30 HD21 LEU 30 26.725 5.532 -4.408 243 HD22 LEU 30 HD22 LEU 30 28.287 5.016 -3.770 244 HD23 LEU 30 HD23 LEU 30 28.035 6.700 -4.234 245 H LYS 31 H LYS 31 29.527 8.992 0.545 246 HA LYS 31 HA LYS 31 30.952 6.774 1.649 247 HB2 LYS 31 HB2 LYS 31 31.860 9.047 0.772 248 HB3 LYS 31 HB3 LYS 31 31.480 9.638 2.385 249 HG2 LYS 31 HG2 LYS 31 33.716 9.047 2.531 250 HG3 LYS 31 HG3 LYS 31 32.881 7.653 3.218 251 HD2 LYS 31 HD2 LYS 31 33.559 6.287 1.568 252 HD3 LYS 31 HD3 LYS 31 33.284 7.504 0.320 253 HE2 LYS 31 HE2 LYS 31 35.539 8.056 2.122 254 HE3 LYS 31 HE3 LYS 31 35.729 6.625 1.110 255 HZ1 LYS 31 HZ1 LYS 31 36.250 7.945 -0.567 256 HZ2 LYS 31 HZ2 LYS 31 36.013 9.321 0.388 257 HZ3 LYS 31 HZ3 LYS 31 34.724 8.672 -0.494 258 H VAL 32 H VAL 32 28.550 8.960 2.817 259 HA VAL 32 HA VAL 32 29.052 8.164 5.597 260 HB VAL 32 HB VAL 32 27.406 9.916 6.193 261 HG11 VAL 32 HG11 VAL 32 28.831 11.867 5.397 262 HG12 VAL 32 HG12 VAL 32 29.660 10.591 6.289 263 HG13 VAL 32 HG13 VAL 32 29.795 10.671 4.532 264 HG21 VAL 32 HG21 VAL 32 26.032 9.931 4.221 265 HG22 VAL 32 HG22 VAL 32 26.737 11.535 4.429 266 HG23 VAL 32 HG23 VAL 32 27.396 10.430 3.222 267 H ALA 33 H ALA 33 26.597 8.096 3.068 268 HA ALA 33 HA ALA 33 24.400 7.172 4.431 269 HB1 ALA 33 HB1 ALA 33 23.771 6.017 2.306 270 HB2 ALA 33 HB2 ALA 33 24.232 7.709 2.112 271 HB3 ALA 33 HB3 ALA 33 25.367 6.431 1.676 272 H GLY 34 H GLY 34 27.305 5.424 3.555 273 HA2 GLY 34 HA2 GLY 34 26.154 2.881 4.415 274 HA3 GLY 34 HA3 GLY 34 27.740 3.114 3.696 275 H PHE 35 H PHE 35 27.935 5.453 5.756 276 HA PHE 35 HA PHE 35 29.338 3.885 7.723 277 HB2 PHE 35 HB2 PHE 35 30.148 6.097 6.824 278 HB3 PHE 35 HB3 PHE 35 28.857 6.867 7.741 279 HD1 PHE 35 HD1 PHE 35 31.753 4.571 8.186 280 HD2 PHE 35 HD2 PHE 35 29.260 7.565 9.901 281 HE1 PHE 35 HE1 PHE 35 33.210 4.644 10.167 282 HE2 PHE 35 HE2 PHE 35 30.713 7.643 11.885 283 HZ PHE 35 HZ PHE 35 32.692 6.182 12.019 284 H ASN 36 H ASN 36 26.954 2.949 8.064 285 HA ASN 36 HA ASN 36 25.301 2.562 9.576 286 HB2 ASN 36 HB2 ASN 36 26.559 4.549 11.448 287 HB3 ASN 36 HB3 ASN 36 25.708 3.055 11.830 288 HD21 ASN 36 HD21 ASN 36 26.787 1.043 11.017 289 HD22 ASN 36 HD22 ASN 36 28.508 0.965 11.159 290 H LEU 37 H LEU 37 25.501 5.150 7.828 291 HA LEU 37 HA LEU 37 23.719 6.962 9.185 292 HB2 LEU 37 HB2 LEU 37 25.440 7.746 7.612 293 HB3 LEU 37 HB3 LEU 37 24.611 6.903 6.305 294 HG LEU 37 HG LEU 37 23.136 8.980 7.859 295 HD11 LEU 37 HD11 LEU 37 25.447 9.440 6.076 296 HD12 LEU 37 HD12 LEU 37 24.817 10.421 7.398 297 HD13 LEU 37 HD13 LEU 37 24.029 10.457 5.821 298 HD21 LEU 37 HD21 LEU 37 22.742 7.403 5.503 299 HD22 LEU 37 HD22 LEU 37 22.711 9.115 5.081 300 HD23 LEU 37 HD23 LEU 37 21.618 8.491 6.316 301 H LEU 38 H LEU 38 23.443 5.106 6.147 302 HA LEU 38 HA LEU 38 20.744 5.499 5.700 303 HB2 LEU 38 HB2 LEU 38 21.920 4.520 3.955 304 HB3 LEU 38 HB3 LEU 38 22.632 3.290 4.997 305 HG LEU 38 HG LEU 38 19.695 3.190 4.622 306 HD11 LEU 38 HD11 LEU 38 21.534 2.161 2.478 307 HD12 LEU 38 HD12 LEU 38 20.697 3.709 2.360 308 HD13 LEU 38 HD13 LEU 38 19.770 2.213 2.476 309 HD21 LEU 38 HD21 LEU 38 21.725 1.552 5.656 310 HD22 LEU 38 HD22 LEU 38 21.152 0.758 4.189 311 HD23 LEU 38 HD23 LEU 38 20.013 1.166 5.474 312 H MET 39 H MET 39 22.318 3.392 7.973 313 HA MET 39 HA MET 39 20.334 1.534 8.503 314 HB2 MET 39 HB2 MET 39 22.642 1.544 9.466 315 HB3 MET 39 HB3 MET 39 22.134 2.823 10.561 316 HG2 MET 39 HG2 MET 39 20.595 1.387 11.658 317 HG3 MET 39 HG3 MET 39 20.800 0.135 10.436 318 HE1 MET 39 HE1 MET 39 24.556 -0.381 10.690 319 HE2 MET 39 HE2 MET 39 23.482 -1.764 10.903 320 HE3 MET 39 HE3 MET 39 23.080 -0.507 9.732 321 H THR 40 H THR 40 20.690 4.835 9.705 322 HA THR 40 HA THR 40 18.647 4.803 11.617 323 HB THR 40 HB THR 40 18.601 7.240 11.417 324 HG1 THR 40 HG1 THR 40 18.816 7.812 9.354 325 HG21 THR 40 HG21 THR 40 21.486 6.782 11.049 326 HG22 THR 40 HG22 THR 40 20.708 5.748 12.246 327 HG23 THR 40 HG23 THR 40 20.615 7.501 12.404 328 H LEU 41 H LEU 41 18.512 6.002 8.257 329 HA LEU 41 HA LEU 41 15.743 6.476 8.238 330 HB2 LEU 41 HB2 LEU 41 17.039 7.523 6.576 331 HB3 LEU 41 HB3 LEU 41 17.756 5.997 6.063 332 HG LEU 41 HG LEU 41 14.821 6.350 5.727 333 HD11 LEU 41 HD11 LEU 41 16.929 7.774 4.134 334 HD12 LEU 41 HD12 LEU 41 15.451 8.425 4.843 335 HD13 LEU 41 HD13 LEU 41 15.360 7.353 3.446 336 HD21 LEU 41 HD21 LEU 41 16.214 5.303 3.476 337 HD22 LEU 41 HD22 LEU 41 15.097 4.481 4.565 338 HD23 LEU 41 HD23 LEU 41 16.822 4.514 4.932 339 H ARG 42 H ARG 42 17.627 3.592 7.694 340 HA ARG 42 HA ARG 42 15.891 1.980 6.297 341 HB2 ARG 42 HB2 ARG 42 18.233 1.434 7.133 342 HB3 ARG 42 HB3 ARG 42 17.483 1.005 8.665 343 HG2 ARG 42 HG2 ARG 42 17.488 -1.048 7.735 344 HG3 ARG 42 HG3 ARG 42 15.975 -0.474 7.031 345 HD2 ARG 42 HD2 ARG 42 17.753 0.450 5.216 346 HD3 ARG 42 HD3 ARG 42 18.581 -1.007 5.764 347 HE ARG 42 HE ARG 42 16.249 -0.873 4.125 348 HH11 ARG 42 HH11 ARG 42 17.887 -2.788 6.528 349 HH12 ARG 42 HH12 ARG 42 17.165 -4.279 6.020 350 HH21 ARG 42 HH21 ARG 42 15.292 -2.830 3.448 351 HH22 ARG 42 HH22 ARG 42 15.689 -4.302 4.268 352 H LEU 43 H LEU 43 15.725 2.983 9.643 353 HA LEU 43 HA LEU 43 13.254 1.411 9.962 354 HB2 LEU 43 HB2 LEU 43 15.455 1.296 11.526 355 HB3 LEU 43 HB3 LEU 43 14.537 2.552 12.356 356 HG LEU 43 HG LEU 43 14.174 0.327 13.326 357 HD11 LEU 43 HD11 LEU 43 11.624 1.130 11.980 358 HD12 LEU 43 HD12 LEU 43 12.396 2.186 13.163 359 HD13 LEU 43 HD13 LEU 43 11.886 0.563 13.631 360 HD21 LEU 43 HD21 LEU 43 14.427 -0.807 11.033 361 HD22 LEU 43 HD22 LEU 43 12.714 -0.442 10.823 362 HD23 LEU 43 HD23 LEU 43 13.241 -1.463 12.163 363 H TRP 44 H TRP 44 14.700 4.560 10.087 364 HA TRP 44 HA TRP 44 12.217 5.739 11.105 365 HB2 TRP 44 HB2 TRP 44 15.049 6.684 10.910 366 HB3 TRP 44 HB3 TRP 44 13.754 7.876 10.953 367 HD1 TRP 44 HD1 TRP 44 13.519 4.658 13.012 368 HE1 TRP 44 HE1 TRP 44 13.601 5.273 15.509 369 HE3 TRP 44 HE3 TRP 44 14.602 9.636 12.587 370 HZ2 TRP 44 HZ2 TRP 44 14.064 7.565 17.091 371 HZ3 TRP 44 HZ3 TRP 44 14.847 10.969 14.640 372 HH2 TRP 44 HH2 TRP 44 14.584 9.954 16.844 373 H SER 45 H SER 45 10.845 6.811 9.826 374 HA SER 45 HA SER 45 10.880 6.644 7.074 375 HB2 SER 45 HB2 SER 45 9.334 8.128 9.075 376 HB3 SER 45 HB3 SER 45 9.413 8.937 7.510 377 HG SER 45 HG SER 45 7.674 7.531 7.504 378 H SER 46 H SER 46 11.511 7.956 5.399 379 HA SER 46 HA SER 46 13.794 9.584 5.829 380 HB2 SER 46 HB2 SER 46 13.287 8.250 3.742 381 HB3 SER 46 HB3 SER 46 12.106 9.491 3.323 382 HG SER 46 HG SER 46 14.170 9.854 2.367 Start of MODEL 7 1 H1 ASP 1 H ASP 1 24.345 -4.820 0.124 2 HA ASP 1 HA ASP 1 24.001 -3.546 -2.153 3 HB2 ASP 1 HB2 ASP 1 24.570 -6.490 -1.837 4 HB3 ASP 1 HB3 ASP 1 24.642 -5.686 -3.403 5 H ALA 2 H ALA 2 22.219 -2.955 -3.194 6 HA ALA 2 HA ALA 2 20.185 -5.014 -3.760 7 HB1 ALA 2 HB1 ALA 2 18.463 -3.591 -3.283 8 HB2 ALA 2 HB2 ALA 2 19.666 -3.009 -2.131 9 HB3 ALA 2 HB3 ALA 2 19.408 -2.146 -3.647 10 H THR 3 H THR 3 21.472 -1.885 -4.876 11 HA THR 3 HA THR 3 21.180 -2.846 -7.638 12 HB THR 3 HB THR 3 20.544 -0.508 -8.314 13 HG1 THR 3 HG1 THR 3 21.209 0.460 -6.279 14 HG21 THR 3 HG21 THR 3 18.162 -0.723 -7.441 15 HG22 THR 3 HG22 THR 3 18.723 -2.146 -6.563 16 HG23 THR 3 HG23 THR 3 18.804 -2.108 -8.324 17 H LEU 4 H LEU 4 23.523 -2.867 -6.065 18 HA LEU 4 HA LEU 4 25.105 -0.664 -7.200 19 HB2 LEU 4 HB2 LEU 4 25.666 -2.523 -4.898 20 HB3 LEU 4 HB3 LEU 4 26.827 -1.361 -5.534 21 HG LEU 4 HG LEU 4 24.753 0.281 -5.007 22 HD11 LEU 4 HD11 LEU 4 23.486 -0.331 -3.202 23 HD12 LEU 4 HD12 LEU 4 24.671 -1.498 -2.622 24 HD13 LEU 4 HD13 LEU 4 23.658 -1.888 -4.012 25 HD21 LEU 4 HD21 LEU 4 26.493 -0.411 -2.704 26 HD22 LEU 4 HD22 LEU 4 26.112 1.162 -3.405 27 HD23 LEU 4 HD23 LEU 4 27.272 0.099 -4.202 28 H THR 5 H THR 5 25.384 -1.527 -9.266 29 HA THR 5 HA THR 5 26.288 -4.165 -9.766 30 HB THR 5 HB THR 5 26.824 -3.340 -12.044 31 HG1 THR 5 HG1 THR 5 26.700 -1.211 -12.515 32 HG21 THR 5 HG21 THR 5 24.610 -3.111 -12.714 33 HG22 THR 5 HG22 THR 5 24.171 -2.171 -11.287 34 HG23 THR 5 HG23 THR 5 24.450 -3.906 -11.148 35 H GLU 6 H GLU 6 27.972 -1.041 -9.595 36 HA GLU 6 HA GLU 6 30.374 -2.277 -8.667 37 HB2 GLU 6 HB2 GLU 6 30.064 -1.694 -11.532 38 HB3 GLU 6 HB3 GLU 6 31.518 -1.017 -10.812 39 HG2 GLU 6 HG2 GLU 6 31.369 -3.634 -9.855 40 HG3 GLU 6 HG3 GLU 6 30.937 -3.727 -11.561 41 H LYS 7 H LYS 7 28.881 0.579 -10.119 42 HA LYS 7 HA LYS 7 28.976 2.789 -9.592 43 HB2 LYS 7 HB2 LYS 7 29.031 1.404 -7.145 44 HB3 LYS 7 HB3 LYS 7 30.261 2.654 -7.012 45 HG2 LYS 7 HG2 LYS 7 28.139 3.457 -6.174 46 HG3 LYS 7 HG3 LYS 7 28.603 4.346 -7.627 47 HD2 LYS 7 HD2 LYS 7 26.919 3.447 -8.879 48 HD3 LYS 7 HD3 LYS 7 26.904 1.934 -7.969 49 HE2 LYS 7 HE2 LYS 7 25.740 2.970 -6.150 50 HE3 LYS 7 HE3 LYS 7 25.918 4.566 -6.880 51 HZ1 LYS 7 HZ1 LYS 7 24.636 2.725 -8.641 52 HZ2 LYS 7 HZ2 LYS 7 24.117 4.246 -8.113 53 HZ3 LYS 7 HZ3 LYS 7 23.793 2.871 -7.182 54 H SER 8 H SER 8 30.652 4.479 -8.484 55 HA SER 8 HA SER 8 33.411 3.794 -8.983 56 HB2 SER 8 HB2 SER 8 31.993 5.803 -10.749 57 HB3 SER 8 HB3 SER 8 33.739 5.555 -10.703 58 HG SER 8 HG SER 8 33.128 4.257 -12.312 59 H PHE 9 H PHE 9 34.861 5.261 -8.094 60 HA PHE 9 HA PHE 9 33.827 7.713 -6.910 61 HB2 PHE 9 HB2 PHE 9 35.277 5.676 -5.212 62 HB3 PHE 9 HB3 PHE 9 34.574 7.201 -4.681 63 HD1 PHE 9 HD1 PHE 9 32.244 7.399 -4.222 64 HD2 PHE 9 HD2 PHE 9 33.836 3.783 -5.805 65 HE1 PHE 9 HE1 PHE 9 30.136 6.245 -3.697 66 HE2 PHE 9 HE2 PHE 9 31.730 2.622 -5.284 67 HZ PHE 9 HZ PHE 9 29.875 3.854 -4.230 68 H GLU 10 H GLU 10 35.584 7.355 -9.063 69 HA GLU 10 HA GLU 10 38.108 8.339 -7.905 70 HB2 GLU 10 HB2 GLU 10 39.170 7.447 -10.045 71 HB3 GLU 10 HB3 GLU 10 38.668 6.256 -8.852 72 HG2 GLU 10 HG2 GLU 10 36.544 6.814 -10.719 73 HG3 GLU 10 HG3 GLU 10 38.016 6.312 -11.550 74 H THR 11 H THR 11 35.751 8.588 -10.497 75 HA THR 11 HA THR 11 35.185 10.301 -11.886 76 HB THR 11 HB THR 11 35.349 12.468 -11.132 77 HG1 THR 11 HG1 THR 11 37.278 12.976 -9.663 78 HG21 THR 11 HG21 THR 11 34.642 10.764 -9.284 79 HG22 THR 11 HG22 THR 11 34.912 12.454 -8.858 80 HG23 THR 11 HG23 THR 11 36.155 11.250 -8.522 81 H ASP 12 H ASP 12 35.902 10.520 -13.896 82 HA ASP 12 HA ASP 12 38.628 10.060 -14.574 83 HB2 ASP 12 HB2 ASP 12 36.188 10.844 -16.149 84 HB3 ASP 12 HB3 ASP 12 37.776 10.781 -16.905 85 H MET 13 H MET 13 36.549 12.919 -15.083 86 HA MET 13 HA MET 13 38.828 14.644 -14.509 87 HB2 MET 13 HB2 MET 13 37.215 15.093 -17.013 88 HB3 MET 13 HB3 MET 13 38.716 15.874 -16.532 89 HG2 MET 13 HG2 MET 13 39.770 13.559 -16.699 90 HG3 MET 13 HG3 MET 13 38.302 13.089 -17.551 91 HE1 MET 13 HE1 MET 13 41.701 15.180 -17.833 92 HE2 MET 13 HE2 MET 13 41.594 13.443 -18.126 93 HE3 MET 13 HE3 MET 13 41.928 14.544 -19.464 94 H ASN 14 H ASN 14 37.605 17.031 -15.415 95 HA ASN 14 HA ASN 14 34.958 17.319 -14.447 96 HB2 ASN 14 HB2 ASN 14 35.700 18.826 -12.468 97 HB3 ASN 14 HB3 ASN 14 35.690 17.079 -12.242 98 HD21 ASN 14 HD21 ASN 14 37.282 16.734 -10.844 99 HD22 ASN 14 HD22 ASN 14 38.920 17.244 -11.050 100 H LEU 15 H LEU 15 34.235 19.556 -14.463 101 HA LEU 15 HA LEU 15 35.726 21.111 -16.425 102 HB2 LEU 15 HB2 LEU 15 33.374 20.751 -16.843 103 HB3 LEU 15 HB3 LEU 15 32.960 21.439 -15.274 104 HG LEU 15 HG LEU 15 33.599 23.634 -15.998 105 HD11 LEU 15 HD11 LEU 15 34.251 23.888 -18.474 106 HD12 LEU 15 HD12 LEU 15 34.697 22.185 -18.378 107 HD13 LEU 15 HD13 LEU 15 35.485 23.363 -17.329 108 HD21 LEU 15 HD21 LEU 15 32.126 22.712 -18.402 109 HD22 LEU 15 HD22 LEU 15 31.782 24.048 -17.302 110 HD23 LEU 15 HD23 LEU 15 31.400 22.392 -16.826 111 H ASN 16 H ASN 16 33.755 22.206 -13.678 112 HA ASN 16 HA ASN 16 36.047 23.746 -12.690 113 HB2 ASN 16 HB2 ASN 16 34.477 25.125 -14.186 114 HB3 ASN 16 HB3 ASN 16 33.305 24.982 -12.879 115 HD21 ASN 16 HD21 ASN 16 36.809 25.531 -12.972 116 HD22 ASN 16 HD22 ASN 16 36.779 26.976 -12.027 117 H PHE 17 H PHE 17 33.532 24.996 -11.129 118 HA PHE 17 HA PHE 17 33.968 23.387 -8.787 119 HB2 PHE 17 HB2 PHE 17 33.124 26.022 -9.303 120 HB3 PHE 17 HB3 PHE 17 31.765 25.229 -8.513 121 HD1 PHE 17 HD1 PHE 17 31.679 25.731 -6.283 122 HD2 PHE 17 HD2 PHE 17 35.473 25.076 -8.098 123 HE1 PHE 17 HE1 PHE 17 32.773 26.034 -4.099 124 HE2 PHE 17 HE2 PHE 17 36.572 25.378 -5.918 125 HZ PHE 17 HZ PHE 17 35.222 25.857 -3.914 126 H GLN 18 H GLN 18 31.392 23.843 -11.133 127 HA GLN 18 HA GLN 18 29.274 22.612 -9.870 128 HB2 GLN 18 HB2 GLN 18 30.103 22.806 -12.741 129 HB3 GLN 18 HB3 GLN 18 28.712 21.823 -12.304 130 HG2 GLN 18 HG2 GLN 18 27.570 23.708 -11.400 131 HG3 GLN 18 HG3 GLN 18 29.006 24.718 -11.551 132 HE21 GLN 18 HE21 GLN 18 29.903 24.511 -13.957 133 HE22 GLN 18 HE22 GLN 18 28.715 24.867 -15.161 134 H ASN 19 H ASN 19 32.046 21.150 -11.462 135 HA ASN 19 HA ASN 19 31.108 18.496 -11.514 136 HB2 ASN 19 HB2 ASN 19 33.493 19.868 -12.202 137 HB3 ASN 19 HB3 ASN 19 33.947 18.547 -11.129 138 HD21 ASN 19 HD21 ASN 19 33.548 16.422 -11.759 139 HD22 ASN 19 HD22 ASN 19 33.226 16.003 -13.403 140 H LEU 20 H LEU 20 33.370 20.048 -9.232 141 HA LEU 20 HA LEU 20 33.442 17.879 -7.431 142 HB2 LEU 20 HB2 LEU 20 34.251 20.736 -7.358 143 HB3 LEU 20 HB3 LEU 20 34.125 19.876 -5.825 144 HG LEU 20 HG LEU 20 36.424 19.945 -6.748 145 HD11 LEU 20 HD11 LEU 20 35.043 17.800 -5.618 146 HD12 LEU 20 HD12 LEU 20 36.788 18.054 -5.646 147 HD13 LEU 20 HD13 LEU 20 36.016 17.102 -6.914 148 HD21 LEU 20 HD21 LEU 20 37.020 19.057 -8.763 149 HD22 LEU 20 HD22 LEU 20 35.395 19.619 -9.161 150 HD23 LEU 20 HD23 LEU 20 35.674 17.917 -8.787 151 H SER 21 H SER 21 31.146 20.385 -7.942 152 HA SER 21 HA SER 21 29.983 20.383 -5.338 153 HB2 SER 21 HB2 SER 21 29.264 22.287 -6.333 154 HB3 SER 21 HB3 SER 21 29.405 21.607 -7.953 155 HG SER 21 HG SER 21 27.284 21.268 -6.104 156 H VAL 22 H VAL 22 28.882 19.021 -8.447 157 HA VAL 22 HA VAL 22 26.769 17.527 -7.224 158 HB VAL 22 HB VAL 22 26.504 16.476 -9.447 159 HG11 VAL 22 HG11 VAL 22 26.240 18.758 -10.702 160 HG12 VAL 22 HG12 VAL 22 25.230 18.387 -9.302 161 HG13 VAL 22 HG13 VAL 22 26.635 19.439 -9.123 162 HG21 VAL 22 HG21 VAL 22 29.148 17.731 -9.861 163 HG22 VAL 22 HG22 VAL 22 28.484 16.239 -10.524 164 HG23 VAL 22 HG23 VAL 22 28.023 17.793 -11.218 165 H MET 23 H MET 23 30.011 16.772 -8.413 166 HA MET 23 HA MET 23 29.784 13.962 -7.947 167 HB2 MET 23 HB2 MET 23 31.401 15.245 -9.527 168 HB3 MET 23 HB3 MET 23 32.401 15.426 -8.092 169 HG2 MET 23 HG2 MET 23 33.218 13.533 -9.209 170 HG3 MET 23 HG3 MET 23 32.285 12.920 -7.845 171 HE1 MET 23 HE1 MET 23 32.120 14.168 -11.294 172 HE2 MET 23 HE2 MET 23 32.105 12.614 -12.129 173 HE3 MET 23 HE3 MET 23 30.609 13.532 -11.943 174 H GLY 24 H GLY 24 31.389 16.631 -6.225 175 HA2 GLY 24 HA2 GLY 24 32.441 15.082 -4.125 176 HA3 GLY 24 HA3 GLY 24 32.127 16.810 -4.059 177 H LEU 25 H LEU 25 29.271 16.506 -4.596 178 HA LEU 25 HA LEU 25 28.417 16.106 -1.890 179 HB2 LEU 25 HB2 LEU 25 27.120 16.928 -4.444 180 HB3 LEU 25 HB3 LEU 25 26.102 16.400 -3.105 181 HG LEU 25 HG LEU 25 26.743 18.952 -3.514 182 HD11 LEU 25 HD11 LEU 25 26.056 17.359 -1.139 183 HD12 LEU 25 HD12 LEU 25 25.251 18.761 -1.841 184 HD13 LEU 25 HD13 LEU 25 26.670 18.981 -0.817 185 HD21 LEU 25 HD21 LEU 25 29.173 18.459 -3.278 186 HD22 LEU 25 HD22 LEU 25 28.873 18.016 -1.597 187 HD23 LEU 25 HD23 LEU 25 28.571 19.667 -2.141 188 H ARG 26 H ARG 26 28.088 14.345 -4.928 189 HA ARG 26 HA ARG 26 26.332 12.355 -3.853 190 HB2 ARG 26 HB2 ARG 26 26.924 13.127 -6.370 191 HB3 ARG 26 HB3 ARG 26 27.960 11.712 -6.241 192 HG2 ARG 26 HG2 ARG 26 26.195 10.498 -6.809 193 HG3 ARG 26 HG3 ARG 26 25.525 10.869 -5.218 194 HD2 ARG 26 HD2 ARG 26 24.120 12.482 -6.035 195 HD3 ARG 26 HD3 ARG 26 25.174 12.862 -7.396 196 HE ARG 26 HE ARG 26 23.997 10.243 -7.539 197 HH11 ARG 26 HH11 ARG 26 23.561 13.623 -8.256 198 HH12 ARG 26 HH12 ARG 26 22.422 13.340 -9.529 199 HH21 ARG 26 HH21 ARG 26 22.497 9.858 -9.214 200 HH22 ARG 26 HH22 ARG 26 21.817 11.198 -10.073 201 H ILE 27 H ILE 27 29.802 12.644 -4.354 202 HA ILE 27 HA ILE 27 30.442 9.946 -3.750 203 HB ILE 27 HB ILE 27 31.923 12.420 -4.234 204 HG12 ILE 27 HG12 ILE 27 33.404 10.901 -5.427 205 HG13 ILE 27 HG13 ILE 27 32.637 9.511 -4.666 206 HG21 ILE 27 HG21 ILE 27 32.757 12.135 -2.020 207 HG22 ILE 27 HG22 ILE 27 32.989 10.405 -2.267 208 HG23 ILE 27 HG23 ILE 27 34.001 11.562 -3.129 209 HD11 ILE 27 HD11 ILE 27 30.867 11.317 -6.181 210 HD12 ILE 27 HD12 ILE 27 32.025 10.371 -7.115 211 HD13 ILE 27 HD13 ILE 27 30.868 9.558 -6.061 212 H LEU 28 H LEU 28 30.214 12.887 -1.811 213 HA LEU 28 HA LEU 28 31.218 11.710 0.581 214 HB2 LEU 28 HB2 LEU 28 31.413 13.998 0.599 215 HB3 LEU 28 HB3 LEU 28 29.830 14.244 -0.136 216 HG LEU 28 HG LEU 28 29.900 13.145 2.620 217 HD11 LEU 28 HD11 LEU 28 31.588 15.124 2.320 218 HD12 LEU 28 HD12 LEU 28 30.481 15.086 3.692 219 HD13 LEU 28 HD13 LEU 28 30.116 16.098 2.294 220 HD21 LEU 28 HD21 LEU 28 27.751 13.681 2.511 221 HD22 LEU 28 HD22 LEU 28 27.993 14.190 0.839 222 HD23 LEU 28 HD23 LEU 28 28.149 15.362 2.150 223 H LEU 29 H LEU 29 27.954 12.412 -0.624 224 HA LEU 29 HA LEU 29 26.485 11.611 1.587 225 HB2 LEU 29 HB2 LEU 29 25.101 12.540 0.065 226 HB3 LEU 29 HB3 LEU 29 25.989 11.875 -1.304 227 HG LEU 29 HG LEU 29 24.380 9.985 0.320 228 HD11 LEU 29 HD11 LEU 29 22.653 11.478 0.226 229 HD12 LEU 29 HD12 LEU 29 22.456 10.678 -1.333 230 HD13 LEU 29 HD13 LEU 29 23.250 12.250 -1.243 231 HD21 LEU 29 HD21 LEU 29 25.164 8.792 -1.409 232 HD22 LEU 29 HD22 LEU 29 25.497 10.227 -2.378 233 HD23 LEU 29 HD23 LEU 29 23.864 9.560 -2.320 234 H LEU 30 H LEU 30 27.699 9.660 -1.114 235 HA LEU 30 HA LEU 30 26.559 7.222 -0.187 236 HB2 LEU 30 HB2 LEU 30 27.821 8.092 -2.493 237 HB3 LEU 30 HB3 LEU 30 28.941 6.913 -1.816 238 HG LEU 30 HG LEU 30 27.214 5.207 -1.864 239 HD11 LEU 30 HD11 LEU 30 25.066 5.746 -3.067 240 HD12 LEU 30 HD12 LEU 30 25.474 7.448 -2.860 241 HD13 LEU 30 HD13 LEU 30 25.230 6.422 -1.447 242 HD21 LEU 30 HD21 LEU 30 26.718 5.512 -4.484 243 HD22 LEU 30 HD22 LEU 30 28.277 4.988 -3.847 244 HD23 LEU 30 HD23 LEU 30 28.028 6.677 -4.292 245 H LYS 31 H LYS 31 29.489 8.947 0.490 246 HA LYS 31 HA LYS 31 30.873 6.710 1.647 247 HB2 LYS 31 HB2 LYS 31 31.895 8.846 0.619 248 HB3 LYS 31 HB3 LYS 31 31.522 9.603 2.162 249 HG2 LYS 31 HG2 LYS 31 32.946 8.058 3.325 250 HG3 LYS 31 HG3 LYS 31 33.223 7.139 1.844 251 HD2 LYS 31 HD2 LYS 31 34.600 8.753 0.942 252 HD3 LYS 31 HD3 LYS 31 33.887 10.049 1.905 253 HE2 LYS 31 HE2 LYS 31 35.014 9.303 3.872 254 HE3 LYS 31 HE3 LYS 31 35.548 7.825 3.074 255 HZ1 LYS 31 HZ1 LYS 31 37.272 9.591 3.276 256 HZ2 LYS 31 HZ2 LYS 31 36.369 10.538 2.204 257 HZ3 LYS 31 HZ3 LYS 31 37.007 9.056 1.693 258 H VAL 32 H VAL 32 28.786 9.277 2.784 259 HA VAL 32 HA VAL 32 29.278 8.638 5.575 260 HB VAL 32 HB VAL 32 27.673 10.415 6.078 261 HG11 VAL 32 HG11 VAL 32 30.166 10.757 5.235 262 HG12 VAL 32 HG12 VAL 32 29.340 11.646 3.954 263 HG13 VAL 32 HG13 VAL 32 29.120 12.118 5.639 264 HG21 VAL 32 HG21 VAL 32 27.330 10.558 3.086 265 HG22 VAL 32 HG22 VAL 32 26.103 10.123 4.276 266 HG23 VAL 32 HG23 VAL 32 26.735 11.769 4.221 267 H ALA 33 H ALA 33 26.876 8.062 3.103 268 HA ALA 33 HA ALA 33 25.073 6.809 5.036 269 HB1 ALA 33 HB1 ALA 33 24.192 8.383 3.306 270 HB2 ALA 33 HB2 ALA 33 24.632 7.193 2.081 271 HB3 ALA 33 HB3 ALA 33 23.428 6.793 3.306 272 H GLY 34 H GLY 34 27.637 5.957 3.066 273 HA2 GLY 34 HA2 GLY 34 26.653 3.182 2.823 274 HA3 GLY 34 HA3 GLY 34 27.823 3.909 1.732 275 H PHE 35 H PHE 35 29.176 5.224 4.061 276 HA PHE 35 HA PHE 35 30.337 2.897 5.405 277 HB2 PHE 35 HB2 PHE 35 31.865 4.925 3.775 278 HB3 PHE 35 HB3 PHE 35 32.634 3.893 4.976 279 HD1 PHE 35 HD1 PHE 35 31.160 4.067 1.663 280 HD2 PHE 35 HD2 PHE 35 32.767 1.472 4.630 281 HE1 PHE 35 HE1 PHE 35 31.389 2.288 -0.022 282 HE2 PHE 35 HE2 PHE 35 33.001 -0.310 2.949 283 HZ PHE 35 HZ PHE 35 32.312 0.097 0.620 284 H ASN 36 H ASN 36 28.794 4.166 6.928 285 HA ASN 36 HA ASN 36 30.256 5.257 8.997 286 HB2 ASN 36 HB2 ASN 36 30.808 7.219 7.859 287 HB3 ASN 36 HB3 ASN 36 29.251 7.300 7.043 288 HD21 ASN 36 HD21 ASN 36 28.622 9.293 7.644 289 HD22 ASN 36 HD22 ASN 36 28.339 9.773 9.279 290 H LEU 37 H LEU 37 27.218 6.347 7.474 291 HA LEU 37 HA LEU 37 25.789 6.144 9.951 292 HB2 LEU 37 HB2 LEU 37 25.047 7.850 8.543 293 HB3 LEU 37 HB3 LEU 37 25.036 6.800 7.126 294 HG LEU 37 HG LEU 37 23.150 6.042 9.253 295 HD11 LEU 37 HD11 LEU 37 21.597 7.780 8.918 296 HD12 LEU 37 HD12 LEU 37 22.532 8.468 7.591 297 HD13 LEU 37 HD13 LEU 37 23.138 8.575 9.243 298 HD21 LEU 37 HD21 LEU 37 22.315 4.939 7.521 299 HD22 LEU 37 HD22 LEU 37 23.533 5.662 6.469 300 HD23 LEU 37 HD23 LEU 37 21.978 6.464 6.700 301 H LEU 38 H LEU 38 26.201 4.149 7.110 302 HA LEU 38 HA LEU 38 24.059 2.423 7.296 303 HB2 LEU 38 HB2 LEU 38 25.134 1.523 5.585 304 HB3 LEU 38 HB3 LEU 38 26.557 2.488 5.972 305 HG LEU 38 HG LEU 38 27.144 0.587 7.606 306 HD11 LEU 38 HD11 LEU 38 24.732 -0.441 6.367 307 HD12 LEU 38 HD12 LEU 38 25.604 -1.008 7.791 308 HD13 LEU 38 HD13 LEU 38 26.101 -1.539 6.185 309 HD21 LEU 38 HD21 LEU 38 28.499 0.951 5.703 310 HD22 LEU 38 HD22 LEU 38 27.257 0.340 4.610 311 HD23 LEU 38 HD23 LEU 38 28.097 -0.767 5.697 312 H MET 39 H MET 39 26.922 2.597 9.289 313 HA MET 39 HA MET 39 26.588 0.063 10.551 314 HB2 MET 39 HB2 MET 39 28.466 2.213 10.631 315 HB3 MET 39 HB3 MET 39 27.974 1.844 12.278 316 HG2 MET 39 HG2 MET 39 29.093 -0.082 12.307 317 HG3 MET 39 HG3 MET 39 28.554 -0.526 10.689 318 HE1 MET 39 HE1 MET 39 30.601 -1.717 10.788 319 HE2 MET 39 HE2 MET 39 31.618 -1.154 9.462 320 HE3 MET 39 HE3 MET 39 32.200 -1.053 11.124 321 H THR 40 H THR 40 25.776 3.393 11.480 322 HA THR 40 HA THR 40 24.604 2.665 13.972 323 HB THR 40 HB THR 40 24.059 5.186 12.399 324 HG1 THR 40 HG1 THR 40 26.094 4.824 14.351 325 HG21 THR 40 HG21 THR 40 23.670 6.165 14.604 326 HG22 THR 40 HG22 THR 40 24.008 4.610 15.365 327 HG23 THR 40 HG23 THR 40 22.592 4.796 14.330 328 H LEU 41 H LEU 41 23.133 3.821 10.931 329 HA LEU 41 HA LEU 41 20.477 3.465 11.631 330 HB2 LEU 41 HB2 LEU 41 20.946 4.654 9.658 331 HB3 LEU 41 HB3 LEU 41 21.894 3.327 8.989 332 HG LEU 41 HG LEU 41 18.998 2.862 9.474 333 HD11 LEU 41 HD11 LEU 41 19.895 4.229 6.964 334 HD12 LEU 41 HD12 LEU 41 19.345 5.153 8.362 335 HD13 LEU 41 HD13 LEU 41 18.259 4.000 7.585 336 HD21 LEU 41 HD21 LEU 41 20.111 2.075 6.932 337 HD22 LEU 41 HD22 LEU 41 19.386 1.084 8.198 338 HD23 LEU 41 HD23 LEU 41 21.101 1.490 8.270 339 H ARG 42 H ARG 42 22.859 1.115 10.678 340 HA ARG 42 HA ARG 42 21.339 -1.006 9.815 341 HB2 ARG 42 HB2 ARG 42 23.977 -0.629 10.884 342 HB3 ARG 42 HB3 ARG 42 23.281 -2.097 11.556 343 HG2 ARG 42 HG2 ARG 42 22.806 -2.891 9.279 344 HG3 ARG 42 HG3 ARG 42 23.565 -1.435 8.633 345 HD2 ARG 42 HD2 ARG 42 25.686 -2.054 9.525 346 HD3 ARG 42 HD3 ARG 42 24.975 -3.373 10.455 347 HE ARG 42 HE ARG 42 25.756 -3.432 7.706 348 HH11 ARG 42 HH11 ARG 42 23.541 -4.761 10.039 349 HH12 ARG 42 HH12 ARG 42 23.303 -6.238 9.165 350 HH21 ARG 42 HH21 ARG 42 25.450 -5.372 6.545 351 HH22 ARG 42 HH22 ARG 42 24.390 -6.584 7.179 352 H LEU 43 H LEU 43 21.715 0.226 13.067 353 HA LEU 43 HA LEU 43 19.895 -1.876 14.042 354 HB2 LEU 43 HB2 LEU 43 22.358 -1.281 15.001 355 HB3 LEU 43 HB3 LEU 43 21.352 -0.249 16.013 356 HG LEU 43 HG LEU 43 21.858 -2.406 17.072 357 HD11 LEU 43 HD11 LEU 43 18.941 -2.240 16.355 358 HD12 LEU 43 HD12 LEU 43 19.731 -1.146 17.491 359 HD13 LEU 43 HD13 LEU 43 19.659 -2.874 17.836 360 HD21 LEU 43 HD21 LEU 43 21.922 -3.665 14.884 361 HD22 LEU 43 HD22 LEU 43 20.159 -3.676 14.938 362 HD23 LEU 43 HD23 LEU 43 21.085 -4.469 16.212 363 H TRP 44 H TRP 44 20.449 1.532 13.719 364 HA TRP 44 HA TRP 44 18.060 2.144 15.304 365 HB2 TRP 44 HB2 TRP 44 20.546 3.489 14.857 366 HB3 TRP 44 HB3 TRP 44 19.237 4.513 14.273 367 HD1 TRP 44 HD1 TRP 44 17.031 4.228 16.353 368 HE1 TRP 44 HE1 TRP 44 17.357 4.930 18.808 369 HE3 TRP 44 HE3 TRP 44 22.135 4.050 16.577 370 HZ2 TRP 44 HZ2 TRP 44 19.494 5.354 20.601 371 HZ3 TRP 44 HZ3 TRP 44 23.243 4.620 18.699 372 HH2 TRP 44 HH2 TRP 44 21.949 5.259 20.668 373 H SER 45 H SER 45 16.190 2.718 14.389 374 HA SER 45 HA SER 45 15.621 2.326 11.716 375 HB2 SER 45 HB2 SER 45 13.488 2.899 12.263 376 HB3 SER 45 HB3 SER 45 14.120 2.851 13.909 377 HG SER 45 HG SER 45 14.334 5.058 13.881 378 H SER 46 H SER 46 15.395 3.639 9.923 379 HA SER 46 HA SER 46 17.260 5.650 9.521 380 HB2 SER 46 HB2 SER 46 15.802 4.278 7.827 381 HB3 SER 46 HB3 SER 46 14.702 5.650 7.956 382 HG SER 46 HG SER 46 16.656 5.542 6.350 Start of MODEL 8 1 H1 ASP 1 H ASP 1 4.763 8.700 -1.671 2 HA ASP 1 HA ASP 1 5.334 6.299 -0.164 3 HB2 ASP 1 HB2 ASP 1 2.907 6.428 -1.532 4 HB3 ASP 1 HB3 ASP 1 3.967 5.516 -2.603 5 H ALA 2 H ALA 2 7.473 6.457 -0.642 6 HA ALA 2 HA ALA 2 8.225 6.498 -3.490 7 HB1 ALA 2 HB1 ALA 2 9.711 8.053 -2.957 8 HB2 ALA 2 HB2 ALA 2 9.196 7.980 -1.271 9 HB3 ALA 2 HB3 ALA 2 10.493 6.930 -1.844 10 H THR 3 H THR 3 10.537 5.422 -3.722 11 HA THR 3 HA THR 3 10.432 2.806 -2.366 12 HB THR 3 HB THR 3 9.723 2.490 -4.655 13 HG1 THR 3 HG1 THR 3 11.158 0.889 -5.130 14 HG21 THR 3 HG21 THR 3 12.343 3.719 -5.514 15 HG22 THR 3 HG22 THR 3 10.791 4.558 -5.553 16 HG23 THR 3 HG23 THR 3 11.048 3.131 -6.556 17 H LEU 4 H LEU 4 12.453 5.291 -3.832 18 HA LEU 4 HA LEU 4 14.625 5.882 -3.507 19 HB2 LEU 4 HB2 LEU 4 13.708 4.896 -1.022 20 HB3 LEU 4 HB3 LEU 4 15.338 4.270 -1.261 21 HG LEU 4 HG LEU 4 15.768 6.847 -1.863 22 HD11 LEU 4 HD11 LEU 4 14.541 8.244 -0.251 23 HD12 LEU 4 HD12 LEU 4 13.515 6.864 0.139 24 HD13 LEU 4 HD13 LEU 4 13.487 7.551 -1.484 25 HD21 LEU 4 HD21 LEU 4 16.848 5.326 -0.140 26 HD22 LEU 4 HD22 LEU 4 15.642 5.931 0.998 27 HD23 LEU 4 HD23 LEU 4 16.787 7.045 0.251 28 H THR 5 H THR 5 16.904 4.739 -2.922 29 HA THR 5 HA THR 5 18.516 3.325 -3.687 30 HB THR 5 HB THR 5 16.858 0.962 -4.094 31 HG1 THR 5 HG1 THR 5 16.383 0.872 -1.749 32 HG21 THR 5 HG21 THR 5 18.914 1.466 -1.955 33 HG22 THR 5 HG22 THR 5 19.358 1.142 -3.632 34 HG23 THR 5 HG23 THR 5 18.466 -0.065 -2.705 35 H GLU 6 H GLU 6 18.928 1.573 -5.507 36 HA GLU 6 HA GLU 6 19.048 1.137 -7.737 37 HB2 GLU 6 HB2 GLU 6 16.568 0.641 -7.284 38 HB3 GLU 6 HB3 GLU 6 16.249 2.206 -8.017 39 HG2 GLU 6 HG2 GLU 6 17.647 1.305 -9.992 40 HG3 GLU 6 HG3 GLU 6 17.344 -0.275 -9.271 41 H LYS 7 H LYS 7 20.260 3.413 -7.055 42 HA LYS 7 HA LYS 7 19.327 5.573 -8.767 43 HB2 LYS 7 HB2 LYS 7 21.782 5.433 -7.006 44 HB3 LYS 7 HB3 LYS 7 21.145 6.874 -7.789 45 HG2 LYS 7 HG2 LYS 7 19.309 6.987 -6.364 46 HG3 LYS 7 HG3 LYS 7 19.481 5.306 -5.856 47 HD2 LYS 7 HD2 LYS 7 21.619 5.917 -4.746 48 HD3 LYS 7 HD3 LYS 7 21.310 7.604 -5.164 49 HE2 LYS 7 HE2 LYS 7 19.021 6.398 -3.873 50 HE3 LYS 7 HE3 LYS 7 20.469 6.256 -2.876 51 HZ1 LYS 7 HZ1 LYS 7 19.493 8.794 -4.068 52 HZ2 LYS 7 HZ2 LYS 7 20.786 8.615 -2.993 53 HZ3 LYS 7 HZ3 LYS 7 19.205 8.312 -2.473 54 H SER 8 H SER 8 21.068 6.711 -10.096 55 HA SER 8 HA SER 8 22.773 4.719 -11.439 56 HB2 SER 8 HB2 SER 8 20.601 6.284 -12.532 57 HB3 SER 8 HB3 SER 8 22.113 6.665 -13.355 58 HG SER 8 HG SER 8 20.584 4.573 -13.738 59 H PHE 9 H PHE 9 22.275 8.215 -11.848 60 HA PHE 9 HA PHE 9 24.818 8.865 -10.679 61 HB2 PHE 9 HB2 PHE 9 25.419 10.026 -13.005 62 HB3 PHE 9 HB3 PHE 9 25.924 8.383 -12.623 63 HD1 PHE 9 HD1 PHE 9 23.537 10.425 -14.525 64 HD2 PHE 9 HD2 PHE 9 25.022 6.506 -13.783 65 HE1 PHE 9 HE1 PHE 9 22.364 9.605 -16.527 66 HE2 PHE 9 HE2 PHE 9 23.851 5.679 -15.782 67 HZ PHE 9 HZ PHE 9 22.521 7.229 -17.158 68 H GLU 10 H GLU 10 22.169 9.931 -12.775 69 HA GLU 10 HA GLU 10 21.057 11.916 -12.948 70 HB2 GLU 10 HB2 GLU 10 20.734 11.028 -10.454 71 HB3 GLU 10 HB3 GLU 10 21.581 12.523 -10.082 72 HG2 GLU 10 HG2 GLU 10 19.792 13.555 -11.707 73 HG3 GLU 10 HG3 GLU 10 18.886 12.111 -11.261 74 H THR 11 H THR 11 23.883 12.016 -13.480 75 HA THR 11 HA THR 11 24.333 14.868 -12.936 76 HB THR 11 HB THR 11 26.794 14.378 -12.735 77 HG1 THR 11 HG1 THR 11 27.343 12.216 -12.198 78 HG21 THR 11 HG21 THR 11 25.682 12.904 -10.463 79 HG22 THR 11 HG22 THR 11 24.841 14.414 -10.815 80 HG23 THR 11 HG23 THR 11 26.576 14.424 -10.500 81 H ASP 12 H ASP 12 24.223 15.804 -14.870 82 HA ASP 12 HA ASP 12 25.801 14.650 -17.063 83 HB2 ASP 12 HB2 ASP 12 23.226 14.279 -17.201 84 HB3 ASP 12 HB3 ASP 12 23.172 15.988 -17.621 85 H MET 13 H MET 13 26.710 16.642 -15.383 86 HA MET 13 HA MET 13 27.441 18.653 -17.212 87 HB2 MET 13 HB2 MET 13 25.009 19.266 -16.574 88 HB3 MET 13 HB3 MET 13 25.692 19.749 -15.027 89 HG2 MET 13 HG2 MET 13 27.207 20.869 -17.201 90 HG3 MET 13 HG3 MET 13 25.498 21.273 -17.349 91 HE1 MET 13 HE1 MET 13 24.942 23.996 -15.908 92 HE2 MET 13 HE2 MET 13 26.615 24.491 -16.164 93 HE3 MET 13 HE3 MET 13 25.813 23.453 -17.343 94 H ASN 14 H ASN 14 29.479 18.924 -16.604 95 HA ASN 14 HA ASN 14 30.146 19.900 -14.005 96 HB2 ASN 14 HB2 ASN 14 31.792 17.952 -13.591 97 HB3 ASN 14 HB3 ASN 14 30.091 17.694 -13.215 98 HD21 ASN 14 HD21 ASN 14 32.761 16.517 -14.831 99 HD22 ASN 14 HD22 ASN 14 31.973 15.340 -15.822 100 H LEU 15 H LEU 15 32.302 20.649 -13.868 101 HA LEU 15 HA LEU 15 34.268 20.200 -15.835 102 HB2 LEU 15 HB2 LEU 15 32.238 22.032 -16.584 103 HB3 LEU 15 HB3 LEU 15 33.708 22.957 -16.283 104 HG LEU 15 HG LEU 15 33.838 20.549 -18.044 105 HD11 LEU 15 HD11 LEU 15 33.171 21.785 -19.967 106 HD12 LEU 15 HD12 LEU 15 32.993 23.266 -19.028 107 HD13 LEU 15 HD13 LEU 15 31.879 21.923 -18.774 108 HD21 LEU 15 HD21 LEU 15 35.438 22.261 -19.189 109 HD22 LEU 15 HD22 LEU 15 35.944 21.422 -17.721 110 HD23 LEU 15 HD23 LEU 15 35.359 23.085 -17.632 111 H ASN 16 H ASN 16 32.956 22.755 -13.732 112 HA ASN 16 HA ASN 16 35.636 23.008 -12.536 113 HB2 ASN 16 HB2 ASN 16 34.830 24.977 -13.965 114 HB3 ASN 16 HB3 ASN 16 33.652 25.272 -12.689 115 HD21 ASN 16 HD21 ASN 16 34.813 27.348 -12.630 116 HD22 ASN 16 HD22 ASN 16 36.215 27.470 -11.629 117 H PHE 17 H PHE 17 33.787 25.117 -10.944 118 HA PHE 17 HA PHE 17 33.731 23.793 -8.530 119 HB2 PHE 17 HB2 PHE 17 32.022 26.039 -9.588 120 HB3 PHE 17 HB3 PHE 17 31.875 25.455 -7.934 121 HD1 PHE 17 HD1 PHE 17 34.571 24.998 -7.077 122 HD2 PHE 17 HD2 PHE 17 33.033 28.101 -9.550 123 HE1 PHE 17 HE1 PHE 17 36.430 26.460 -6.394 124 HE2 PHE 17 HE2 PHE 17 34.889 29.566 -8.874 125 HZ PHE 17 HZ PHE 17 36.591 28.747 -7.294 126 H GLN 18 H GLN 18 31.385 23.720 -11.129 127 HA GLN 18 HA GLN 18 29.269 22.510 -9.710 128 HB2 GLN 18 HB2 GLN 18 29.936 23.061 -12.513 129 HB3 GLN 18 HB3 GLN 18 28.957 21.617 -12.288 130 HG2 GLN 18 HG2 GLN 18 28.254 24.311 -11.152 131 HG3 GLN 18 HG3 GLN 18 27.668 23.708 -12.702 132 HE21 GLN 18 HE21 GLN 18 27.244 23.716 -9.335 133 HE22 GLN 18 HE22 GLN 18 25.936 22.591 -9.256 134 H ASN 19 H ASN 19 32.018 21.190 -11.482 135 HA ASN 19 HA ASN 19 31.280 18.506 -11.537 136 HB2 ASN 19 HB2 ASN 19 33.183 19.234 -12.801 137 HB3 ASN 19 HB3 ASN 19 34.007 19.793 -11.348 138 HD21 ASN 19 HD21 ASN 19 32.271 16.779 -11.984 139 HD22 ASN 19 HD22 ASN 19 33.616 15.737 -11.684 140 H LEU 20 H LEU 20 33.511 20.020 -9.196 141 HA LEU 20 HA LEU 20 33.528 17.823 -7.432 142 HB2 LEU 20 HB2 LEU 20 34.405 19.540 -5.780 143 HB3 LEU 20 HB3 LEU 20 35.333 19.295 -7.259 144 HG LEU 20 HG LEU 20 33.405 21.454 -7.518 145 HD11 LEU 20 HD11 LEU 20 33.856 21.653 -5.100 146 HD12 LEU 20 HD12 LEU 20 34.466 23.023 -6.027 147 HD13 LEU 20 HD13 LEU 20 35.579 21.780 -5.455 148 HD21 LEU 20 HD21 LEU 20 35.014 22.294 -8.838 149 HD22 LEU 20 HD22 LEU 20 35.732 20.688 -8.700 150 HD23 LEU 20 HD23 LEU 20 36.285 21.996 -7.652 151 H SER 21 H SER 21 31.273 20.364 -7.921 152 HA SER 21 HA SER 21 30.099 20.361 -5.323 153 HB2 SER 21 HB2 SER 21 29.649 22.306 -6.538 154 HB3 SER 21 HB3 SER 21 29.269 21.416 -8.012 155 HG SER 21 HG SER 21 27.443 22.327 -6.778 156 H VAL 22 H VAL 22 28.982 19.028 -8.438 157 HA VAL 22 HA VAL 22 26.864 17.540 -7.216 158 HB VAL 22 HB VAL 22 26.572 16.518 -9.448 159 HG11 VAL 22 HG11 VAL 22 25.287 18.317 -9.691 160 HG12 VAL 22 HG12 VAL 22 26.428 19.331 -8.805 161 HG13 VAL 22 HG13 VAL 22 26.636 19.075 -10.538 162 HG21 VAL 22 HG21 VAL 22 28.534 16.280 -10.551 163 HG22 VAL 22 HG22 VAL 22 28.087 17.852 -11.214 164 HG23 VAL 22 HG23 VAL 22 29.224 17.753 -9.869 165 H MET 23 H MET 23 30.089 16.773 -8.442 166 HA MET 23 HA MET 23 29.846 13.959 -8.017 167 HB2 MET 23 HB2 MET 23 31.442 15.134 -9.618 168 HB3 MET 23 HB3 MET 23 32.423 15.512 -8.209 169 HG2 MET 23 HG2 MET 23 32.877 13.238 -7.789 170 HG3 MET 23 HG3 MET 23 31.631 12.707 -8.917 171 HE1 MET 23 HE1 MET 23 33.642 11.191 -10.963 172 HE2 MET 23 HE2 MET 23 35.080 11.515 -9.995 173 HE3 MET 23 HE3 MET 23 33.544 11.163 -9.203 174 H GLY 24 H GLY 24 31.465 16.591 -6.250 175 HA2 GLY 24 HA2 GLY 24 32.504 14.994 -4.176 176 HA3 GLY 24 HA3 GLY 24 32.213 16.725 -4.084 177 H LEU 25 H LEU 25 29.358 16.488 -4.611 178 HA LEU 25 HA LEU 25 28.497 16.065 -1.918 179 HB2 LEU 25 HB2 LEU 25 27.210 16.907 -4.468 180 HB3 LEU 25 HB3 LEU 25 26.183 16.368 -3.142 181 HG LEU 25 HG LEU 25 26.835 18.924 -3.523 182 HD11 LEU 25 HD11 LEU 25 25.325 18.716 -1.868 183 HD12 LEU 25 HD12 LEU 25 26.732 18.932 -0.829 184 HD13 LEU 25 HD13 LEU 25 26.126 17.311 -1.165 185 HD21 LEU 25 HD21 LEU 25 28.940 17.967 -1.591 186 HD22 LEU 25 HD22 LEU 25 28.653 19.622 -2.131 187 HD23 LEU 25 HD23 LEU 25 29.262 18.415 -3.265 188 H ARG 26 H ARG 26 28.130 14.323 -4.967 189 HA ARG 26 HA ARG 26 26.370 12.340 -3.901 190 HB2 ARG 26 HB2 ARG 26 27.729 12.862 -6.464 191 HB3 ARG 26 HB3 ARG 26 27.449 11.163 -6.106 192 HG2 ARG 26 HG2 ARG 26 25.028 11.920 -5.595 193 HG3 ARG 26 HG3 ARG 26 25.466 13.356 -6.521 194 HD2 ARG 26 HD2 ARG 26 24.585 11.985 -8.155 195 HD3 ARG 26 HD3 ARG 26 26.309 11.641 -8.281 196 HE ARG 26 HE ARG 26 25.879 9.495 -7.632 197 HH11 ARG 26 HH11 ARG 26 23.171 11.498 -6.751 198 HH12 ARG 26 HH12 ARG 26 22.188 10.167 -6.235 199 HH21 ARG 26 HH21 ARG 26 24.595 7.735 -6.956 200 HH22 ARG 26 HH22 ARG 26 23.001 8.028 -6.351 201 H ILE 27 H ILE 27 29.847 12.563 -4.450 202 HA ILE 27 HA ILE 27 30.468 9.877 -3.834 203 HB ILE 27 HB ILE 27 31.959 12.343 -4.288 204 HG12 ILE 27 HG12 ILE 27 33.515 10.766 -5.372 205 HG13 ILE 27 HG13 ILE 27 32.611 9.416 -4.697 206 HG21 ILE 27 HG21 ILE 27 32.736 12.077 -2.046 207 HG22 ILE 27 HG22 ILE 27 33.003 10.351 -2.287 208 HG23 ILE 27 HG23 ILE 27 34.015 11.525 -3.128 209 HD11 ILE 27 HD11 ILE 27 32.238 10.395 -7.169 210 HD12 ILE 27 HD12 ILE 27 30.986 9.571 -6.239 211 HD13 ILE 27 HD13 ILE 27 31.040 11.333 -6.278 212 H LEU 28 H LEU 28 30.244 12.795 -1.855 213 HA LEU 28 HA LEU 28 31.184 11.545 0.534 214 HB2 LEU 28 HB2 LEU 28 30.142 14.163 -0.265 215 HB3 LEU 28 HB3 LEU 28 29.736 13.696 1.385 216 HG LEU 28 HG LEU 28 31.803 15.098 1.129 217 HD11 LEU 28 HD11 LEU 28 31.757 14.104 3.180 218 HD12 LEU 28 HD12 LEU 28 33.202 13.343 2.518 219 HD13 LEU 28 HD13 LEU 28 31.668 12.473 2.513 220 HD21 LEU 28 HD21 LEU 28 32.669 14.109 -0.913 221 HD22 LEU 28 HD22 LEU 28 32.883 12.562 -0.095 222 HD23 LEU 28 HD23 LEU 28 33.846 13.957 0.392 223 H LEU 29 H LEU 29 27.990 12.305 -0.784 224 HA LEU 29 HA LEU 29 26.410 11.620 1.387 225 HB2 LEU 29 HB2 LEU 29 25.070 12.473 -0.199 226 HB3 LEU 29 HB3 LEU 29 26.054 11.833 -1.515 227 HG LEU 29 HG LEU 29 24.377 9.911 0.008 228 HD11 LEU 29 HD11 LEU 29 22.834 11.752 -0.287 229 HD12 LEU 29 HD12 LEU 29 22.428 10.441 -1.394 230 HD13 LEU 29 HD13 LEU 29 23.265 11.872 -1.994 231 HD21 LEU 29 HD21 LEU 29 25.277 8.705 -1.647 232 HD22 LEU 29 HD22 LEU 29 25.711 10.137 -2.582 233 HD23 LEU 29 HD23 LEU 29 24.075 9.482 -2.677 234 H LEU 30 H LEU 30 27.772 9.542 -1.133 235 HA LEU 30 HA LEU 30 26.536 7.162 -0.121 236 HB2 LEU 30 HB2 LEU 30 27.720 7.877 -2.486 237 HB3 LEU 30 HB3 LEU 30 28.931 6.819 -1.765 238 HG LEU 30 HG LEU 30 27.298 5.017 -1.630 239 HD11 LEU 30 HD11 LEU 30 25.108 5.337 -2.829 240 HD12 LEU 30 HD12 LEU 30 25.424 7.070 -2.780 241 HD13 LEU 30 HD13 LEU 30 25.255 6.161 -1.277 242 HD21 LEU 30 HD21 LEU 30 28.301 4.655 -3.608 243 HD22 LEU 30 HD22 LEU 30 28.057 6.314 -4.156 244 HD23 LEU 30 HD23 LEU 30 26.744 5.143 -4.277 245 H LYS 31 H LYS 31 29.519 8.859 0.427 246 HA LYS 31 HA LYS 31 30.822 6.648 1.741 247 HB2 LYS 31 HB2 LYS 31 31.490 9.457 1.079 248 HB3 LYS 31 HB3 LYS 31 32.275 8.793 2.506 249 HG2 LYS 31 HG2 LYS 31 32.569 6.810 0.598 250 HG3 LYS 31 HG3 LYS 31 32.808 8.313 -0.297 251 HD2 LYS 31 HD2 LYS 31 34.944 7.895 0.454 252 HD3 LYS 31 HD3 LYS 31 34.329 8.935 1.741 253 HE2 LYS 31 HE2 LYS 31 34.021 7.131 3.201 254 HE3 LYS 31 HE3 LYS 31 34.105 5.947 1.899 255 HZ1 LYS 31 HZ1 LYS 31 36.501 7.440 2.010 256 HZ2 LYS 31 HZ2 LYS 31 36.279 5.774 2.189 257 HZ3 LYS 31 HZ3 LYS 31 36.169 6.791 3.536 258 H VAL 32 H VAL 32 28.705 9.227 2.631 259 HA VAL 32 HA VAL 32 29.276 8.866 5.481 260 HB VAL 32 HB VAL 32 27.855 10.796 5.869 261 HG11 VAL 32 HG11 VAL 32 29.606 12.097 5.453 262 HG12 VAL 32 HG12 VAL 32 30.284 10.809 4.456 263 HG13 VAL 32 HG13 VAL 32 29.275 12.057 3.723 264 HG21 VAL 32 HG21 VAL 32 27.219 10.470 2.962 265 HG22 VAL 32 HG22 VAL 32 26.123 10.685 4.326 266 HG23 VAL 32 HG23 VAL 32 27.079 12.046 3.739 267 H ALA 33 H ALA 33 26.865 8.200 3.060 268 HA ALA 33 HA ALA 33 24.957 7.286 5.082 269 HB1 ALA 33 HB1 ALA 33 24.646 7.511 2.090 270 HB2 ALA 33 HB2 ALA 33 23.375 7.080 3.235 271 HB3 ALA 33 HB3 ALA 33 24.094 8.690 3.280 272 H GLY 34 H GLY 34 26.796 6.081 2.298 273 HA2 GLY 34 HA2 GLY 34 25.868 3.489 2.154 274 HA3 GLY 34 HA3 GLY 34 27.523 3.959 1.794 275 H PHE 35 H PHE 35 27.941 4.902 4.576 276 HA PHE 35 HA PHE 35 27.968 2.311 5.970 277 HB2 PHE 35 HB2 PHE 35 30.204 2.966 4.917 278 HB3 PHE 35 HB3 PHE 35 30.259 4.267 6.102 279 HD1 PHE 35 HD1 PHE 35 31.062 3.881 8.252 280 HD2 PHE 35 HD2 PHE 35 30.004 0.581 5.780 281 HE1 PHE 35 HE1 PHE 35 32.034 2.336 9.902 282 HE2 PHE 35 HE2 PHE 35 30.973 -0.969 7.427 283 HZ PHE 35 HZ PHE 35 31.989 -0.091 9.493 284 H ASN 36 H ASN 36 25.967 3.636 6.732 285 HA ASN 36 HA ASN 36 26.128 4.178 9.381 286 HB2 ASN 36 HB2 ASN 36 27.548 6.000 9.308 287 HB3 ASN 36 HB3 ASN 36 26.927 6.555 7.756 288 HD21 ASN 36 HD21 ASN 36 25.936 6.114 11.126 289 HD22 ASN 36 HD22 ASN 36 24.953 7.533 11.203 290 H LEU 37 H LEU 37 24.811 6.410 6.941 291 HA LEU 37 HA LEU 37 22.245 6.503 8.063 292 HB2 LEU 37 HB2 LEU 37 23.197 8.170 6.494 293 HB3 LEU 37 HB3 LEU 37 23.011 7.001 5.189 294 HG LEU 37 HG LEU 37 20.472 7.158 6.235 295 HD11 LEU 37 HD11 LEU 37 20.034 9.626 6.258 296 HD12 LEU 37 HD12 LEU 37 21.778 9.866 6.366 297 HD13 LEU 37 HD13 LEU 37 20.925 9.011 7.652 298 HD21 LEU 37 HD21 LEU 37 21.898 8.248 3.877 299 HD22 LEU 37 HD22 LEU 37 20.275 8.857 4.197 300 HD23 LEU 37 HD23 LEU 37 20.538 7.128 3.964 301 H LEU 38 H LEU 38 23.452 4.671 5.259 302 HA LEU 38 HA LEU 38 21.111 3.420 4.500 303 HB2 LEU 38 HB2 LEU 38 22.812 3.023 3.033 304 HB3 LEU 38 HB3 LEU 38 23.994 2.747 4.310 305 HG LEU 38 HG LEU 38 21.862 0.711 3.950 306 HD11 LEU 38 HD11 LEU 38 24.258 0.469 2.217 307 HD12 LEU 38 HD12 LEU 38 22.942 1.509 1.670 308 HD13 LEU 38 HD13 LEU 38 22.636 -0.195 2.012 309 HD21 LEU 38 HD21 LEU 38 24.552 -0.249 4.136 310 HD22 LEU 38 HD22 LEU 38 23.220 -0.437 5.277 311 HD23 LEU 38 HD23 LEU 38 24.273 0.976 5.374 312 H MET 39 H MET 39 23.239 2.694 7.181 313 HA MET 39 HA MET 39 22.033 0.165 7.790 314 HB2 MET 39 HB2 MET 39 23.779 1.945 9.501 315 HB3 MET 39 HB3 MET 39 23.367 0.271 9.851 316 HG2 MET 39 HG2 MET 39 24.435 0.290 7.258 317 HG3 MET 39 HG3 MET 39 25.476 1.323 8.234 318 HE1 MET 39 HE1 MET 39 26.349 -1.157 11.200 319 HE2 MET 39 HE2 MET 39 26.522 0.492 10.599 320 HE3 MET 39 HE3 MET 39 24.942 -0.096 11.119 321 H THR 40 H THR 40 21.832 3.434 9.162 322 HA THR 40 HA THR 40 19.991 2.793 11.205 323 HB THR 40 HB THR 40 19.901 5.522 10.041 324 HG1 THR 40 HG1 THR 40 22.036 5.463 9.869 325 HG21 THR 40 HG21 THR 40 19.759 6.199 12.276 326 HG22 THR 40 HG22 THR 40 20.522 4.723 12.868 327 HG23 THR 40 HG23 THR 40 18.872 4.676 12.248 328 H LEU 41 H LEU 41 19.442 4.501 8.116 329 HA LEU 41 HA LEU 41 16.694 4.673 8.224 330 HB2 LEU 41 HB2 LEU 41 17.739 5.842 6.502 331 HB3 LEU 41 HB3 LEU 41 18.618 4.420 5.945 332 HG LEU 41 HG LEU 41 15.653 4.401 5.712 333 HD11 LEU 41 HD11 LEU 41 15.473 5.939 4.081 334 HD12 LEU 41 HD12 LEU 41 17.079 5.600 3.436 335 HD13 LEU 41 HD13 LEU 41 16.898 6.636 4.851 336 HD21 LEU 41 HD21 LEU 41 17.065 3.579 3.390 337 HD22 LEU 41 HD22 LEU 41 16.139 2.594 4.523 338 HD23 LEU 41 HD23 LEU 41 17.861 2.870 4.796 339 H ARG 42 H ARG 42 18.698 1.926 7.394 340 HA ARG 42 HA ARG 42 16.879 0.273 6.131 341 HB2 ARG 42 HB2 ARG 42 19.426 -0.010 7.397 342 HB3 ARG 42 HB3 ARG 42 18.397 -1.340 7.909 343 HG2 ARG 42 HG2 ARG 42 17.926 -1.266 5.224 344 HG3 ARG 42 HG3 ARG 42 19.626 -0.803 5.316 345 HD2 ARG 42 HD2 ARG 42 20.275 -2.829 6.130 346 HD3 ARG 42 HD3 ARG 42 18.749 -3.100 6.971 347 HE ARG 42 HE ARG 42 18.213 -3.203 4.249 348 HH11 ARG 42 HH11 ARG 42 20.094 -4.963 6.591 349 HH12 ARG 42 HH12 ARG 42 19.968 -6.473 5.750 350 HH21 ARG 42 HH21 ARG 42 18.039 -5.185 3.134 351 HH22 ARG 42 HH22 ARG 42 18.800 -6.598 3.784 352 H LEU 43 H LEU 43 17.099 1.157 9.491 353 HA LEU 43 HA LEU 43 14.902 -0.699 10.121 354 HB2 LEU 43 HB2 LEU 43 17.292 -0.417 11.396 355 HB3 LEU 43 HB3 LEU 43 16.257 0.644 12.349 356 HG LEU 43 HG LEU 43 16.435 -1.621 13.295 357 HD11 LEU 43 HD11 LEU 43 14.177 -1.835 13.848 358 HD12 LEU 43 HD12 LEU 43 13.639 -1.235 12.280 359 HD13 LEU 43 HD13 LEU 43 14.363 -0.128 13.447 360 HD21 LEU 43 HD21 LEU 43 14.698 -2.989 11.480 361 HD22 LEU 43 HD22 LEU 43 16.311 -3.441 12.033 362 HD23 LEU 43 HD23 LEU 43 16.120 -2.412 10.612 363 H TRP 44 H TRP 44 15.961 2.630 10.194 364 HA TRP 44 HA TRP 44 13.416 3.456 11.394 365 HB2 TRP 44 HB2 TRP 44 16.029 4.365 11.754 366 HB3 TRP 44 HB3 TRP 44 15.259 5.615 10.781 367 HD1 TRP 44 HD1 TRP 44 14.848 3.827 14.175 368 HE1 TRP 44 HE1 TRP 44 13.539 5.387 15.751 369 HE3 TRP 44 HE3 TRP 44 13.722 7.562 10.871 370 HZ2 TRP 44 HZ2 TRP 44 12.206 7.871 15.611 371 HZ3 TRP 44 HZ3 TRP 44 12.426 9.494 11.672 372 HH2 TRP 44 HH2 TRP 44 11.684 9.643 13.993 373 H SER 45 H SER 45 11.846 4.360 10.223 374 HA SER 45 HA SER 45 11.745 4.300 7.475 375 HB2 SER 45 HB2 SER 45 10.154 6.506 8.461 376 HB3 SER 45 HB3 SER 45 9.627 4.945 7.833 377 HG SER 45 HG SER 45 8.980 5.188 9.988 378 H SER 46 H SER 46 12.290 5.630 5.828 379 HA SER 46 HA SER 46 12.797 8.373 5.987 380 HB2 SER 46 HB2 SER 46 15.065 6.634 6.717 381 HB3 SER 46 HB3 SER 46 15.433 7.863 5.506 382 HG SER 46 HG SER 46 14.860 8.135 8.184 Start of MODEL 9 1 H1 ASP 1 H ASP 1 27.363 -6.516 5.750 2 HA ASP 1 HA ASP 1 26.053 -7.048 3.961 3 HB2 ASP 1 HB2 ASP 1 27.260 -9.134 4.090 4 HB3 ASP 1 HB3 ASP 1 26.179 -9.732 5.347 5 H ALA 2 H ALA 2 24.114 -6.131 3.837 6 HA ALA 2 HA ALA 2 21.873 -7.418 5.228 7 HB1 ALA 2 HB1 ALA 2 20.981 -4.999 5.547 8 HB2 ALA 2 HB2 ALA 2 22.159 -5.650 6.687 9 HB3 ALA 2 HB3 ALA 2 22.680 -4.546 5.415 10 H THR 3 H THR 3 22.679 -7.654 2.514 11 HA THR 3 HA THR 3 21.656 -7.773 0.475 12 HB THR 3 HB THR 3 19.336 -6.154 1.492 13 HG1 THR 3 HG1 THR 3 19.123 -7.657 2.976 14 HG21 THR 3 HG21 THR 3 19.224 -6.664 -0.835 15 HG22 THR 3 HG22 THR 3 18.110 -7.758 -0.017 16 HG23 THR 3 HG23 THR 3 19.685 -8.342 -0.553 17 H LEU 4 H LEU 4 20.513 -4.641 1.743 18 HA LEU 4 HA LEU 4 20.794 -2.507 1.010 19 HB2 LEU 4 HB2 LEU 4 23.350 -3.832 0.496 20 HB3 LEU 4 HB3 LEU 4 23.060 -2.422 -0.521 21 HG LEU 4 HG LEU 4 24.357 -1.861 1.477 22 HD11 LEU 4 HD11 LEU 4 23.030 0.032 2.204 23 HD12 LEU 4 HD12 LEU 4 21.573 -0.707 1.542 24 HD13 LEU 4 HD13 LEU 4 22.868 -0.193 0.462 25 HD21 LEU 4 HD21 LEU 4 22.112 -2.121 3.332 26 HD22 LEU 4 HD22 LEU 4 23.822 -2.488 3.558 27 HD23 LEU 4 HD23 LEU 4 22.764 -3.662 2.774 28 H THR 5 H THR 5 21.086 -1.148 -1.039 29 HA THR 5 HA THR 5 20.473 -2.573 -3.502 30 HB THR 5 HB THR 5 18.606 -0.353 -2.756 31 HG1 THR 5 HG1 THR 5 18.348 -3.094 -2.013 32 HG21 THR 5 HG21 THR 5 17.742 -0.873 -4.742 33 HG22 THR 5 HG22 THR 5 17.399 -2.504 -4.164 34 HG23 THR 5 HG23 THR 5 18.942 -2.148 -4.939 35 H GLU 6 H GLU 6 21.905 -1.738 -4.871 36 HA GLU 6 HA GLU 6 23.128 0.787 -4.567 37 HB2 GLU 6 HB2 GLU 6 22.983 -1.085 -6.932 38 HB3 GLU 6 HB3 GLU 6 23.967 0.372 -6.903 39 HG2 GLU 6 HG2 GLU 6 24.256 -2.084 -5.199 40 HG3 GLU 6 HG3 GLU 6 25.389 -1.446 -6.390 41 H LYS 7 H LYS 7 22.875 2.707 -5.710 42 HA LYS 7 HA LYS 7 20.321 2.981 -7.155 43 HB2 LYS 7 HB2 LYS 7 21.527 4.581 -4.985 44 HB3 LYS 7 HB3 LYS 7 20.821 5.509 -6.301 45 HG2 LYS 7 HG2 LYS 7 19.102 3.346 -5.386 46 HG3 LYS 7 HG3 LYS 7 19.480 4.520 -4.124 47 HD2 LYS 7 HD2 LYS 7 18.631 6.319 -5.435 48 HD3 LYS 7 HD3 LYS 7 18.495 5.292 -6.865 49 HE2 LYS 7 HE2 LYS 7 16.651 4.152 -6.018 50 HE3 LYS 7 HE3 LYS 7 16.997 4.631 -4.357 51 HZ1 LYS 7 HZ1 LYS 7 15.268 6.011 -4.865 52 HZ2 LYS 7 HZ2 LYS 7 15.692 6.155 -6.496 53 HZ3 LYS 7 HZ3 LYS 7 16.564 7.000 -5.318 54 H SER 8 H SER 8 20.326 5.036 -8.555 55 HA SER 8 HA SER 8 22.950 5.559 -9.740 56 HB2 SER 8 HB2 SER 8 20.915 5.265 -11.800 57 HB3 SER 8 HB3 SER 8 22.527 4.555 -11.708 58 HG SER 8 HG SER 8 20.270 3.302 -11.428 59 H PHE 9 H PHE 9 23.057 7.493 -10.978 60 HA PHE 9 HA PHE 9 20.805 9.333 -10.502 61 HB2 PHE 9 HB2 PHE 9 22.994 9.696 -9.181 62 HB3 PHE 9 HB3 PHE 9 23.667 10.235 -10.716 63 HD1 PHE 9 HD1 PHE 9 23.620 12.482 -11.154 64 HD2 PHE 9 HD2 PHE 9 20.647 10.821 -8.602 65 HE1 PHE 9 HE1 PHE 9 22.701 14.731 -10.768 66 HE2 PHE 9 HE2 PHE 9 19.723 13.067 -8.212 67 HZ PHE 9 HZ PHE 9 20.749 15.026 -9.296 68 H GLU 10 H GLU 10 23.408 8.375 -12.668 69 HA GLU 10 HA GLU 10 23.695 8.617 -14.912 70 HB2 GLU 10 HB2 GLU 10 20.805 9.487 -15.003 71 HB3 GLU 10 HB3 GLU 10 21.758 8.815 -16.319 72 HG2 GLU 10 HG2 GLU 10 21.901 6.686 -15.120 73 HG3 GLU 10 HG3 GLU 10 20.922 7.361 -13.820 74 H THR 11 H THR 11 24.432 10.757 -13.277 75 HA THR 11 HA THR 11 24.502 12.877 -15.219 76 HB THR 11 HB THR 11 23.601 13.961 -12.635 77 HG1 THR 11 HG1 THR 11 21.435 13.418 -12.980 78 HG21 THR 11 HG21 THR 11 22.137 14.727 -15.018 79 HG22 THR 11 HG22 THR 11 23.881 14.838 -15.257 80 HG23 THR 11 HG23 THR 11 23.115 15.715 -13.932 81 H ASP 12 H ASP 12 26.505 13.636 -15.175 82 HA ASP 12 HA ASP 12 27.946 13.664 -12.605 83 HB2 ASP 12 HB2 ASP 12 28.830 12.766 -15.321 84 HB3 ASP 12 HB3 ASP 12 30.016 13.452 -14.215 85 H MET 13 H MET 13 28.141 15.035 -15.895 86 HA MET 13 HA MET 13 28.745 17.103 -16.638 87 HB2 MET 13 HB2 MET 13 27.179 17.747 -14.150 88 HB3 MET 13 HB3 MET 13 27.828 19.013 -15.184 89 HG2 MET 13 HG2 MET 13 26.346 18.612 -16.848 90 HG3 MET 13 HG3 MET 13 26.242 16.891 -16.492 91 HE1 MET 13 HE1 MET 13 23.926 19.764 -16.745 92 HE2 MET 13 HE2 MET 13 23.541 20.226 -15.087 93 HE3 MET 13 HE3 MET 13 25.182 20.431 -15.702 94 H ASN 14 H ASN 14 30.995 16.781 -16.429 95 HA ASN 14 HA ASN 14 32.220 18.017 -14.056 96 HB2 ASN 14 HB2 ASN 14 33.751 16.331 -16.009 97 HB3 ASN 14 HB3 ASN 14 34.073 16.623 -14.303 98 HD21 ASN 14 HD21 ASN 14 32.209 14.811 -16.602 99 HD22 ASN 14 HD22 ASN 14 31.617 13.626 -15.494 100 H LEU 15 H LEU 15 32.591 20.106 -14.472 101 HA LEU 15 HA LEU 15 34.081 20.765 -16.920 102 HB2 LEU 15 HB2 LEU 15 31.599 22.019 -15.846 103 HB3 LEU 15 HB3 LEU 15 32.780 23.034 -16.672 104 HG LEU 15 HG LEU 15 31.742 20.566 -18.007 105 HD11 LEU 15 HD11 LEU 15 29.673 21.337 -18.166 106 HD12 LEU 15 HD12 LEU 15 30.275 22.828 -18.889 107 HD13 LEU 15 HD13 LEU 15 30.097 22.707 -17.139 108 HD21 LEU 15 HD21 LEU 15 33.666 21.933 -18.890 109 HD22 LEU 15 HD22 LEU 15 32.514 23.245 -19.143 110 HD23 LEU 15 HD23 LEU 15 32.312 21.715 -20.000 111 H ASN 16 H ASN 16 32.889 22.678 -14.169 112 HA ASN 16 HA ASN 16 35.691 23.269 -13.476 113 HB2 ASN 16 HB2 ASN 16 34.382 25.152 -14.621 114 HB3 ASN 16 HB3 ASN 16 33.438 25.244 -13.137 115 HD21 ASN 16 HD21 ASN 16 36.879 24.890 -13.942 116 HD22 ASN 16 HD22 ASN 16 37.424 26.164 -12.912 117 H PHE 17 H PHE 17 33.921 25.054 -11.457 118 HA PHE 17 HA PHE 17 34.412 23.435 -9.203 119 HB2 PHE 17 HB2 PHE 17 33.128 26.041 -9.731 120 HB3 PHE 17 HB3 PHE 17 32.575 25.211 -8.281 121 HD1 PHE 17 HD1 PHE 17 33.606 25.897 -6.361 122 HD2 PHE 17 HD2 PHE 17 35.855 25.790 -9.973 123 HE1 PHE 17 HE1 PHE 17 35.589 26.698 -5.146 124 HE2 PHE 17 HE2 PHE 17 37.841 26.590 -8.763 125 HZ PHE 17 HZ PHE 17 37.710 27.045 -6.347 126 H GLN 18 H GLN 18 31.567 23.935 -11.199 127 HA GLN 18 HA GLN 18 29.586 22.849 -9.619 128 HB2 GLN 18 HB2 GLN 18 29.848 23.609 -12.299 129 HB3 GLN 18 HB3 GLN 18 29.319 21.932 -12.352 130 HG2 GLN 18 HG2 GLN 18 27.838 23.539 -10.429 131 HG3 GLN 18 HG3 GLN 18 27.701 24.127 -12.086 132 HE21 GLN 18 HE21 GLN 18 25.546 23.550 -12.239 133 HE22 GLN 18 HE22 GLN 18 25.032 21.905 -12.366 134 H ASN 19 H ASN 19 32.065 21.208 -11.489 135 HA ASN 19 HA ASN 19 31.069 18.610 -11.436 136 HB2 ASN 19 HB2 ASN 19 33.038 19.297 -12.752 137 HB3 ASN 19 HB3 ASN 19 33.961 19.483 -11.264 138 HD21 ASN 19 HD21 ASN 19 35.442 17.960 -12.155 139 HD22 ASN 19 HD22 ASN 19 35.105 16.268 -12.079 140 H LEU 20 H LEU 20 33.344 20.128 -9.147 141 HA LEU 20 HA LEU 20 33.405 17.955 -7.352 142 HB2 LEU 20 HB2 LEU 20 34.209 20.812 -7.269 143 HB3 LEU 20 HB3 LEU 20 34.064 19.956 -5.736 144 HG LEU 20 HG LEU 20 36.374 20.024 -6.626 145 HD11 LEU 20 HD11 LEU 20 34.988 17.887 -5.505 146 HD12 LEU 20 HD12 LEU 20 36.735 18.123 -5.538 147 HD13 LEU 20 HD13 LEU 20 35.949 17.177 -6.801 148 HD21 LEU 20 HD21 LEU 20 35.659 17.996 -8.676 149 HD22 LEU 20 HD22 LEU 20 36.998 19.144 -8.636 150 HD23 LEU 20 HD23 LEU 20 35.374 19.695 -9.054 151 H SER 21 H SER 21 31.100 20.444 -7.882 152 HA SER 21 HA SER 21 29.916 20.445 -5.289 153 HB2 SER 21 HB2 SER 21 29.582 21.883 -7.711 154 HB3 SER 21 HB3 SER 21 28.016 21.181 -7.306 155 HG SER 21 HG SER 21 29.598 22.600 -5.435 156 H VAL 22 H VAL 22 28.844 19.059 -8.396 157 HA VAL 22 HA VAL 22 26.743 17.547 -7.172 158 HB VAL 22 HB VAL 22 26.490 16.492 -9.394 159 HG11 VAL 22 HG11 VAL 22 25.240 18.457 -9.105 160 HG12 VAL 22 HG12 VAL 22 26.670 19.484 -9.213 161 HG13 VAL 22 HG13 VAL 22 26.059 18.668 -10.652 162 HG21 VAL 22 HG21 VAL 22 27.991 17.829 -11.165 163 HG22 VAL 22 HG22 VAL 22 29.119 17.781 -9.810 164 HG23 VAL 22 HG23 VAL 22 28.472 16.280 -10.474 165 H MET 23 H MET 23 29.990 16.823 -8.365 166 HA MET 23 HA MET 23 29.793 14.011 -7.900 167 HB2 MET 23 HB2 MET 23 31.377 15.199 -9.511 168 HB3 MET 23 HB3 MET 23 32.349 15.596 -8.100 169 HG2 MET 23 HG2 MET 23 31.705 12.791 -8.143 170 HG3 MET 23 HG3 MET 23 32.473 13.288 -9.650 171 HE1 MET 23 HE1 MET 23 34.747 14.340 -9.876 172 HE2 MET 23 HE2 MET 23 36.054 13.712 -8.874 173 HE3 MET 23 HE3 MET 23 34.984 12.598 -9.725 174 H GLY 24 H GLY 24 31.357 16.698 -6.167 175 HA2 GLY 24 HA2 GLY 24 32.418 15.151 -4.067 176 HA3 GLY 24 HA3 GLY 24 32.094 16.877 -4.002 177 H LEU 25 H LEU 25 29.242 16.560 -4.545 178 HA LEU 25 HA LEU 25 28.382 16.157 -1.844 179 HB2 LEU 25 HB2 LEU 25 27.088 16.962 -4.404 180 HB3 LEU 25 HB3 LEU 25 26.068 16.425 -3.070 181 HG LEU 25 HG LEU 25 26.687 18.984 -3.478 182 HD11 LEU 25 HD11 LEU 25 26.704 18.771 -0.687 183 HD12 LEU 25 HD12 LEU 25 25.781 17.387 -1.270 184 HD13 LEU 25 HD13 LEU 25 25.310 19.021 -1.740 185 HD21 LEU 25 HD21 LEU 25 28.503 19.718 -2.102 186 HD22 LEU 25 HD22 LEU 25 29.121 18.512 -3.230 187 HD23 LEU 25 HD23 LEU 25 28.816 18.073 -1.548 188 H ARG 26 H ARG 26 28.110 14.371 -4.868 189 HA ARG 26 HA ARG 26 26.355 12.374 -3.798 190 HB2 ARG 26 HB2 ARG 26 26.607 13.046 -6.252 191 HB3 ARG 26 HB3 ARG 26 28.080 12.085 -6.251 192 HG2 ARG 26 HG2 ARG 26 26.962 10.150 -6.331 193 HG3 ARG 26 HG3 ARG 26 25.740 10.695 -5.178 194 HD2 ARG 26 HD2 ARG 26 25.798 11.755 -7.980 195 HD3 ARG 26 HD3 ARG 26 25.035 10.208 -7.616 196 HE ARG 26 HE ARG 26 23.982 12.791 -7.081 197 HH11 ARG 26 HH11 ARG 26 24.129 9.544 -5.834 198 HH12 ARG 26 HH12 ARG 26 22.625 9.663 -4.983 199 HH21 ARG 26 HH21 ARG 26 22.000 12.960 -5.963 200 HH22 ARG 26 HH22 ARG 26 21.415 11.606 -5.057 201 H ILE 27 H ILE 27 29.828 12.663 -4.333 202 HA ILE 27 HA ILE 27 30.487 9.985 -3.698 203 HB ILE 27 HB ILE 27 31.952 12.476 -4.165 204 HG12 ILE 27 HG12 ILE 27 33.435 10.984 -5.379 205 HG13 ILE 27 HG13 ILE 27 32.694 9.579 -4.622 206 HG21 ILE 27 HG21 ILE 27 32.787 12.179 -1.956 207 HG22 ILE 27 HG22 ILE 27 33.019 10.450 -2.210 208 HG23 ILE 27 HG23 ILE 27 34.034 11.610 -3.066 209 HD11 ILE 27 HD11 ILE 27 30.897 9.622 -5.989 210 HD12 ILE 27 HD12 ILE 27 30.908 11.379 -6.135 211 HD13 ILE 27 HD13 ILE 27 32.055 10.409 -7.060 212 H LEU 28 H LEU 28 30.306 12.942 -1.762 213 HA LEU 28 HA LEU 28 31.272 11.759 0.634 214 HB2 LEU 28 HB2 LEU 28 29.741 14.272 0.039 215 HB3 LEU 28 HB3 LEU 28 30.152 13.798 1.686 216 HG LEU 28 HG LEU 28 32.060 14.498 -0.541 217 HD11 LEU 28 HD11 LEU 28 31.044 15.871 1.889 218 HD12 LEU 28 HD12 LEU 28 31.428 16.523 0.296 219 HD13 LEU 28 HD13 LEU 28 32.726 16.129 1.424 220 HD21 LEU 28 HD21 LEU 28 33.139 12.757 0.603 221 HD22 LEU 28 HD22 LEU 28 32.539 13.298 2.171 222 HD23 LEU 28 HD23 LEU 28 33.773 14.234 1.328 223 H LEU 29 H LEU 29 28.021 12.462 -0.597 224 HA LEU 29 HA LEU 29 26.517 11.714 1.599 225 HB2 LEU 29 HB2 LEU 29 25.174 12.592 0.005 226 HB3 LEU 29 HB3 LEU 29 26.073 11.848 -1.315 227 HG LEU 29 HG LEU 29 24.450 10.036 0.373 228 HD11 LEU 29 HD11 LEU 29 22.483 10.654 -1.197 229 HD12 LEU 29 HD12 LEU 29 23.300 12.212 -1.323 230 HD13 LEU 29 HD13 LEU 29 22.772 11.619 0.250 231 HD21 LEU 29 HD21 LEU 29 25.841 9.862 -2.003 232 HD22 LEU 29 HD22 LEU 29 24.157 9.966 -2.519 233 HD23 LEU 29 HD23 LEU 29 24.661 8.698 -1.400 234 H LEU 30 H LEU 30 27.752 9.670 -1.027 235 HA LEU 30 HA LEU 30 26.624 7.263 -0.015 236 HB2 LEU 30 HB2 LEU 30 27.929 8.061 -2.337 237 HB3 LEU 30 HB3 LEU 30 29.012 6.877 -1.607 238 HG LEU 30 HG LEU 30 27.257 5.205 -1.641 239 HD11 LEU 30 HD11 LEU 30 25.292 6.464 -1.268 240 HD12 LEU 30 HD12 LEU 30 25.128 5.754 -2.873 241 HD13 LEU 30 HD13 LEU 30 25.565 7.453 -2.702 242 HD21 LEU 30 HD21 LEU 30 28.363 4.953 -3.604 243 HD22 LEU 30 HD22 LEU 30 28.078 6.618 -4.110 244 HD23 LEU 30 HD23 LEU 30 26.793 5.418 -4.259 245 H LYS 31 H LYS 31 29.540 9.026 0.623 246 HA LYS 31 HA LYS 31 31.021 6.893 1.786 247 HB2 LYS 31 HB2 LYS 31 32.104 8.933 0.962 248 HB3 LYS 31 HB3 LYS 31 31.268 9.881 2.185 249 HG2 LYS 31 HG2 LYS 31 32.433 8.414 3.901 250 HG3 LYS 31 HG3 LYS 31 33.447 7.855 2.569 251 HD2 LYS 31 HD2 LYS 31 33.942 10.298 2.108 252 HD3 LYS 31 HD3 LYS 31 33.183 10.647 3.663 253 HE2 LYS 31 HE2 LYS 31 34.843 9.544 4.859 254 HE3 LYS 31 HE3 LYS 31 35.366 8.609 3.460 255 HZ1 LYS 31 HZ1 LYS 31 35.731 11.281 2.818 256 HZ2 LYS 31 HZ2 LYS 31 36.926 10.126 3.133 257 HZ3 LYS 31 HZ3 LYS 31 36.332 11.093 4.389 258 H VAL 32 H VAL 32 28.493 8.957 2.912 259 HA VAL 32 HA VAL 32 28.968 8.144 5.694 260 HB VAL 32 HB VAL 32 27.345 9.863 6.322 261 HG11 VAL 32 HG11 VAL 32 29.901 10.267 5.453 262 HG12 VAL 32 HG12 VAL 32 29.003 11.468 4.523 263 HG13 VAL 32 HG13 VAL 32 28.912 11.465 6.285 264 HG21 VAL 32 HG21 VAL 32 25.964 9.684 4.262 265 HG22 VAL 32 HG22 VAL 32 26.345 11.345 4.717 266 HG23 VAL 32 HG23 VAL 32 27.218 10.571 3.394 267 H ALA 33 H ALA 33 26.917 7.608 2.991 268 HA ALA 33 HA ALA 33 24.516 6.856 4.138 269 HB1 ALA 33 HB1 ALA 33 25.396 6.920 1.628 270 HB2 ALA 33 HB2 ALA 33 25.525 5.183 1.910 271 HB3 ALA 33 HB3 ALA 33 23.972 5.995 2.108 272 H GLY 34 H GLY 34 27.585 5.273 4.264 273 HA2 GLY 34 HA2 GLY 34 27.476 3.686 6.310 274 HA3 GLY 34 HA3 GLY 34 26.352 2.806 5.284 275 H PHE 35 H PHE 35 28.250 3.910 3.023 276 HA PHE 35 HA PHE 35 29.985 1.554 3.096 277 HB2 PHE 35 HB2 PHE 35 28.438 2.201 1.110 278 HB3 PHE 35 HB3 PHE 35 29.688 3.381 0.730 279 HD1 PHE 35 HD1 PHE 35 29.048 -0.232 1.188 280 HD2 PHE 35 HD2 PHE 35 31.660 2.746 -0.370 281 HE1 PHE 35 HE1 PHE 35 30.324 -1.974 0.007 282 HE2 PHE 35 HE2 PHE 35 32.939 1.009 -1.553 283 HZ PHE 35 HZ PHE 35 32.272 -1.354 -1.366 284 H ASN 36 H ASN 36 31.006 3.153 4.858 285 HA ASN 36 HA ASN 36 33.591 3.643 4.208 286 HB2 ASN 36 HB2 ASN 36 31.876 5.690 3.068 287 HB3 ASN 36 HB3 ASN 36 33.058 6.384 4.176 288 HD21 ASN 36 HD21 ASN 36 32.606 6.036 1.097 289 HD22 ASN 36 HD22 ASN 36 34.200 5.682 0.533 290 H LEU 37 H LEU 37 31.102 5.722 5.702 291 HA LEU 37 HA LEU 37 32.619 6.449 7.936 292 HB2 LEU 37 HB2 LEU 37 30.768 7.779 7.584 293 HB3 LEU 37 HB3 LEU 37 29.704 6.402 7.307 294 HG LEU 37 HG LEU 37 30.806 6.756 10.041 295 HD11 LEU 37 HD11 LEU 37 30.204 8.964 9.882 296 HD12 LEU 37 HD12 LEU 37 28.682 8.238 10.400 297 HD13 LEU 37 HD13 LEU 37 28.931 8.646 8.703 298 HD21 LEU 37 HD21 LEU 37 29.427 4.945 10.008 299 HD22 LEU 37 HD22 LEU 37 28.418 5.594 8.715 300 HD23 LEU 37 HD23 LEU 37 28.236 6.196 10.363 301 H LEU 38 H LEU 38 30.364 3.765 7.452 302 HA LEU 38 HA LEU 38 30.209 2.784 10.031 303 HB2 LEU 38 HB2 LEU 38 28.801 1.667 8.638 304 HB3 LEU 38 HB3 LEU 38 29.972 1.613 7.323 305 HG LEU 38 HG LEU 38 30.502 -0.073 9.711 306 HD11 LEU 38 HD11 LEU 38 28.180 -0.390 7.890 307 HD12 LEU 38 HD12 LEU 38 28.357 -0.825 9.589 308 HD13 LEU 38 HD13 LEU 38 29.086 -1.835 8.341 309 HD21 LEU 38 HD21 LEU 38 30.742 -1.348 7.165 310 HD22 LEU 38 HD22 LEU 38 32.004 -0.940 8.327 311 HD23 LEU 38 HD23 LEU 38 31.520 0.234 7.102 312 H MET 39 H MET 39 32.840 2.622 7.764 313 HA MET 39 HA MET 39 34.314 0.494 8.749 314 HB2 MET 39 HB2 MET 39 34.813 1.911 6.712 315 HB3 MET 39 HB3 MET 39 35.514 3.097 7.805 316 HG2 MET 39 HG2 MET 39 37.318 1.777 8.308 317 HG3 MET 39 HG3 MET 39 36.465 0.282 7.931 318 HE1 MET 39 HE1 MET 39 38.219 -0.679 7.006 319 HE2 MET 39 HE2 MET 39 37.764 -0.958 5.324 320 HE3 MET 39 HE3 MET 39 39.269 -0.118 5.703 321 H THR 40 H THR 40 33.992 3.763 9.988 322 HA THR 40 HA THR 40 36.099 3.891 11.766 323 HB THR 40 HB THR 40 33.300 4.958 12.182 324 HG1 THR 40 HG1 THR 40 35.575 6.387 11.271 325 HG21 THR 40 HG21 THR 40 34.614 6.676 13.571 326 HG22 THR 40 HG22 THR 40 35.900 5.469 13.598 327 HG23 THR 40 HG23 THR 40 34.321 5.091 14.287 328 H LEU 41 H LEU 41 32.789 2.785 12.520 329 HA LEU 41 HA LEU 41 33.481 1.829 15.103 330 HB2 LEU 41 HB2 LEU 41 31.229 2.407 14.762 331 HB3 LEU 41 HB3 LEU 41 31.115 1.426 13.302 332 HG LEU 41 HG LEU 41 31.635 0.042 15.884 333 HD11 LEU 41 HD11 LEU 41 28.838 0.777 15.094 334 HD12 LEU 41 HD12 LEU 41 29.781 1.782 16.194 335 HD13 LEU 41 HD13 LEU 41 29.422 0.107 16.617 336 HD21 LEU 41 HD21 LEU 41 30.915 -0.630 13.209 337 HD22 LEU 41 HD22 LEU 41 29.622 -1.145 14.294 338 HD23 LEU 41 HD23 LEU 41 31.275 -1.702 14.563 339 H ARG 42 H ARG 42 33.443 0.407 11.915 340 HA ARG 42 HA ARG 42 33.396 -2.291 12.460 341 HB2 ARG 42 HB2 ARG 42 33.601 -1.019 10.202 342 HB3 ARG 42 HB3 ARG 42 35.334 -1.178 10.455 343 HG2 ARG 42 HG2 ARG 42 34.787 -3.696 10.791 344 HG3 ARG 42 HG3 ARG 42 33.293 -3.293 9.940 345 HD2 ARG 42 HD2 ARG 42 35.898 -2.402 8.798 346 HD3 ARG 42 HD3 ARG 42 35.427 -4.092 8.630 347 HE ARG 42 HE ARG 42 34.276 -1.826 7.280 348 HH11 ARG 42 HH11 ARG 42 33.772 -5.106 8.332 349 HH12 ARG 42 HH12 ARG 42 32.553 -5.437 7.144 350 HH21 ARG 42 HH21 ARG 42 32.673 -2.249 5.713 351 HH22 ARG 42 HH22 ARG 42 31.930 -3.812 5.656 352 H LEU 43 H LEU 43 35.990 -0.002 12.964 353 HA LEU 43 HA LEU 43 37.683 -2.185 13.989 354 HB2 LEU 43 HB2 LEU 43 38.328 -0.389 12.072 355 HB3 LEU 43 HB3 LEU 43 38.898 0.455 13.510 356 HG LEU 43 HG LEU 43 40.677 -0.823 12.402 357 HD11 LEU 43 HD11 LEU 43 40.517 -0.455 14.924 358 HD12 LEU 43 HD12 LEU 43 41.618 -1.708 14.352 359 HD13 LEU 43 HD13 LEU 43 40.047 -2.152 15.017 360 HD21 LEU 43 HD21 LEU 43 39.242 -3.326 13.236 361 HD22 LEU 43 HD22 LEU 43 40.650 -3.158 12.186 362 HD23 LEU 43 HD23 LEU 43 39.062 -2.636 11.622 363 H TRP 44 H TRP 44 36.148 0.847 14.704 364 HA TRP 44 HA TRP 44 37.426 0.948 17.341 365 HB2 TRP 44 HB2 TRP 44 37.159 2.985 15.730 366 HB3 TRP 44 HB3 TRP 44 35.502 3.016 16.329 367 HD1 TRP 44 HD1 TRP 44 35.098 3.935 18.759 368 HE1 TRP 44 HE1 TRP 44 36.613 5.105 20.480 369 HE3 TRP 44 HE3 TRP 44 39.641 3.009 16.605 370 HZ2 TRP 44 HZ2 TRP 44 39.368 5.574 20.873 371 HZ3 TRP 44 HZ3 TRP 44 41.667 3.853 17.717 372 HH2 TRP 44 HH2 TRP 44 41.531 5.109 19.806 373 H SER 45 H SER 45 36.378 0.392 19.145 374 HA SER 45 HA SER 45 34.036 -1.056 19.169 375 HB2 SER 45 HB2 SER 45 34.226 -1.094 21.470 376 HB3 SER 45 HB3 SER 45 35.859 -0.591 21.032 377 HG SER 45 HG SER 45 35.498 1.321 21.860 378 H SER 46 H SER 46 31.892 -0.629 19.431 379 HA SER 46 HA SER 46 30.829 1.751 18.475 380 HB2 SER 46 HB2 SER 46 28.841 0.686 18.646 381 HB3 SER 46 HB3 SER 46 29.808 -0.708 19.126 382 HG SER 46 HG SER 46 28.165 -0.308 20.637 Start of MODEL 10 1 H1 ASP 1 H ASP 1 44.043 -9.383 -4.741 2 HA ASP 1 HA ASP 1 42.535 -11.347 -5.121 3 HB2 ASP 1 HB2 ASP 1 44.672 -12.807 -4.675 4 HB3 ASP 1 HB3 ASP 1 44.142 -12.718 -2.997 5 H ALA 2 H ALA 2 42.361 -8.948 -3.799 6 HA ALA 2 HA ALA 2 41.299 -9.688 -1.151 7 HB1 ALA 2 HB1 ALA 2 42.843 -7.391 -2.088 8 HB2 ALA 2 HB2 ALA 2 41.432 -6.957 -1.122 9 HB3 ALA 2 HB3 ALA 2 42.653 -8.045 -0.462 10 H THR 3 H THR 3 39.304 -8.750 -0.481 11 HA THR 3 HA THR 3 37.571 -7.971 -2.735 12 HB THR 3 HB THR 3 35.682 -8.917 -1.482 13 HG1 THR 3 HG1 THR 3 37.612 -9.949 0.338 14 HG21 THR 3 HG21 THR 3 36.038 -11.001 -2.281 15 HG22 THR 3 HG22 THR 3 37.554 -11.191 -1.399 16 HG23 THR 3 HG23 THR 3 37.522 -10.294 -2.917 17 H LEU 4 H LEU 4 36.416 -6.130 -2.594 18 HA LEU 4 HA LEU 4 35.655 -4.873 -0.182 19 HB2 LEU 4 HB2 LEU 4 38.316 -4.422 -0.888 20 HB3 LEU 4 HB3 LEU 4 37.458 -2.966 -1.385 21 HG LEU 4 HG LEU 4 36.624 -3.648 1.253 22 HD11 LEU 4 HD11 LEU 4 39.532 -3.108 1.336 23 HD12 LEU 4 HD12 LEU 4 39.030 -4.761 0.980 24 HD13 LEU 4 HD13 LEU 4 38.504 -3.981 2.471 25 HD21 LEU 4 HD21 LEU 4 37.266 -1.428 1.732 26 HD22 LEU 4 HD22 LEU 4 36.709 -1.417 0.058 27 HD23 LEU 4 HD23 LEU 4 38.437 -1.400 0.413 28 H THR 5 H THR 5 34.841 -2.587 -0.614 29 HA THR 5 HA THR 5 33.213 -2.667 -2.978 30 HB THR 5 HB THR 5 32.319 -0.487 -2.150 31 HG1 THR 5 HG1 THR 5 34.324 0.116 -1.058 32 HG21 THR 5 HG21 THR 5 31.403 -1.439 0.018 33 HG22 THR 5 HG22 THR 5 32.432 -2.841 -0.273 34 HG23 THR 5 HG23 THR 5 31.163 -2.424 -1.424 35 H GLU 6 H GLU 6 33.154 -1.127 -4.655 36 HA GLU 6 HA GLU 6 35.599 0.487 -4.955 37 HB2 GLU 6 HB2 GLU 6 34.267 -1.336 -6.939 38 HB3 GLU 6 HB3 GLU 6 35.278 0.001 -7.472 39 HG2 GLU 6 HG2 GLU 6 36.671 -1.457 -5.462 40 HG3 GLU 6 HG3 GLU 6 36.067 -2.583 -6.675 41 H LYS 7 H LYS 7 32.583 0.038 -6.796 42 HA LYS 7 HA LYS 7 31.004 1.507 -7.519 43 HB2 LYS 7 HB2 LYS 7 31.584 2.259 -4.861 44 HB3 LYS 7 HB3 LYS 7 31.499 3.752 -5.788 45 HG2 LYS 7 HG2 LYS 7 29.338 3.218 -4.852 46 HG3 LYS 7 HG3 LYS 7 29.284 3.103 -6.613 47 HD2 LYS 7 HD2 LYS 7 29.204 0.771 -6.577 48 HD3 LYS 7 HD3 LYS 7 29.820 0.683 -4.925 49 HE2 LYS 7 HE2 LYS 7 27.516 0.163 -4.805 50 HE3 LYS 7 HE3 LYS 7 27.683 1.809 -4.197 51 HZ1 LYS 7 HZ1 LYS 7 26.627 0.926 -6.815 52 HZ2 LYS 7 HZ2 LYS 7 27.118 2.522 -6.544 53 HZ3 LYS 7 HZ3 LYS 7 25.856 1.859 -5.633 54 H SER 8 H SER 8 30.805 4.097 -7.981 55 HA SER 8 HA SER 8 31.493 5.809 -9.313 56 HB2 SER 8 HB2 SER 8 34.381 5.254 -8.879 57 HB3 SER 8 HB3 SER 8 33.502 6.782 -8.802 58 HG SER 8 HG SER 8 33.697 6.475 -6.725 59 H PHE 9 H PHE 9 31.028 5.301 -11.364 60 HA PHE 9 HA PHE 9 33.087 4.507 -13.143 61 HB2 PHE 9 HB2 PHE 9 31.999 2.394 -13.939 62 HB3 PHE 9 HB3 PHE 9 32.699 2.280 -12.327 63 HD1 PHE 9 HD1 PHE 9 31.213 2.323 -10.338 64 HD2 PHE 9 HD2 PHE 9 29.690 2.073 -14.305 65 HE1 PHE 9 HE1 PHE 9 29.054 1.535 -9.457 66 HE2 PHE 9 HE2 PHE 9 27.529 1.287 -13.429 67 HZ PHE 9 HZ PHE 9 27.209 1.018 -11.002 68 H GLU 10 H GLU 10 31.435 6.696 -13.062 69 HA GLU 10 HA GLU 10 30.162 6.514 -15.648 70 HB2 GLU 10 HB2 GLU 10 28.023 7.548 -14.748 71 HB3 GLU 10 HB3 GLU 10 28.267 5.840 -14.406 72 HG2 GLU 10 HG2 GLU 10 29.138 7.872 -12.409 73 HG3 GLU 10 HG3 GLU 10 27.430 7.458 -12.546 74 H THR 11 H THR 11 32.415 7.917 -14.632 75 HA THR 11 HA THR 11 31.793 10.546 -15.561 76 HB THR 11 HB THR 11 33.018 10.999 -12.991 77 HG1 THR 11 HG1 THR 11 31.870 9.496 -11.971 78 HG21 THR 11 HG21 THR 11 31.807 12.885 -13.129 79 HG22 THR 11 HG22 THR 11 30.307 12.006 -13.427 80 HG23 THR 11 HG23 THR 11 31.412 12.345 -14.760 81 H ASP 12 H ASP 12 33.525 11.277 -16.605 82 HA ASP 12 HA ASP 12 35.900 9.895 -16.858 83 HB2 ASP 12 HB2 ASP 12 35.225 12.791 -17.343 84 HB3 ASP 12 HB3 ASP 12 36.823 12.138 -17.696 85 H MET 13 H MET 13 35.432 12.911 -15.007 86 HA MET 13 HA MET 13 36.956 12.032 -12.796 87 HB2 MET 13 HB2 MET 13 38.854 12.260 -14.284 88 HB3 MET 13 HB3 MET 13 38.353 13.886 -14.730 89 HG2 MET 13 HG2 MET 13 39.352 14.789 -12.964 90 HG3 MET 13 HG3 MET 13 38.685 13.582 -11.867 91 HE1 MET 13 HE1 MET 13 42.660 14.307 -13.373 92 HE2 MET 13 HE2 MET 13 42.050 13.299 -14.686 93 HE3 MET 13 HE3 MET 13 41.163 14.744 -14.200 94 H ASN 14 H ASN 14 36.927 15.210 -14.392 95 HA ASN 14 HA ASN 14 34.772 16.306 -12.992 96 HB2 ASN 14 HB2 ASN 14 36.101 17.772 -11.396 97 HB3 ASN 14 HB3 ASN 14 35.968 16.074 -10.950 98 HD21 ASN 14 HD21 ASN 14 37.785 15.714 -9.855 99 HD22 ASN 14 HD22 ASN 14 39.380 15.979 -10.463 100 H LEU 15 H LEU 15 35.264 18.891 -12.757 101 HA LEU 15 HA LEU 15 36.744 19.771 -15.126 102 HB2 LEU 15 HB2 LEU 15 33.850 20.344 -14.537 103 HB3 LEU 15 HB3 LEU 15 34.811 21.306 -15.659 104 HG LEU 15 HG LEU 15 34.283 18.352 -15.968 105 HD11 LEU 15 HD11 LEU 15 32.244 18.926 -16.636 106 HD12 LEU 15 HD12 LEU 15 33.006 19.733 -18.006 107 HD13 LEU 15 HD13 LEU 15 32.623 20.647 -16.548 108 HD21 LEU 15 HD21 LEU 15 35.787 20.400 -17.517 109 HD22 LEU 15 HD22 LEU 15 34.928 19.138 -18.400 110 HD23 LEU 15 HD23 LEU 15 36.166 18.704 -17.220 111 H ASN 16 H ASN 16 34.456 21.415 -12.963 112 HA ASN 16 HA ASN 16 36.679 22.928 -11.797 113 HB2 ASN 16 HB2 ASN 16 35.566 24.153 -13.764 114 HB3 ASN 16 HB3 ASN 16 34.169 24.325 -12.707 115 HD21 ASN 16 HD21 ASN 16 34.627 26.622 -13.078 116 HD22 ASN 16 HD22 ASN 16 35.764 27.411 -12.042 117 H PHE 17 H PHE 17 34.076 24.616 -10.967 118 HA PHE 17 HA PHE 17 33.894 23.387 -8.374 119 HB2 PHE 17 HB2 PHE 17 32.783 25.864 -9.638 120 HB3 PHE 17 HB3 PHE 17 32.087 25.278 -8.131 121 HD1 PHE 17 HD1 PHE 17 34.307 27.544 -9.387 122 HD2 PHE 17 HD2 PHE 17 34.079 24.518 -6.402 123 HE1 PHE 17 HE1 PHE 17 36.109 28.653 -8.130 124 HE2 PHE 17 HE2 PHE 17 35.879 25.623 -5.141 125 HZ PHE 17 HZ PHE 17 36.896 27.693 -6.004 126 H GLN 18 H GLN 18 31.661 23.947 -11.078 127 HA GLN 18 HA GLN 18 29.342 22.915 -10.010 128 HB2 GLN 18 HB2 GLN 18 30.438 23.203 -12.743 129 HB3 GLN 18 HB3 GLN 18 29.108 22.067 -12.561 130 HG2 GLN 18 HG2 GLN 18 28.086 24.134 -11.216 131 HG3 GLN 18 HG3 GLN 18 29.141 25.009 -12.325 132 HE21 GLN 18 HE21 GLN 18 28.455 25.362 -14.330 133 HE22 GLN 18 HE22 GLN 18 27.047 24.658 -15.044 134 H ASN 19 H ASN 19 31.918 21.146 -11.705 135 HA ASN 19 HA ASN 19 30.750 18.608 -11.590 136 HB2 ASN 19 HB2 ASN 19 33.098 19.659 -12.592 137 HB3 ASN 19 HB3 ASN 19 33.662 18.589 -11.312 138 HD21 ASN 19 HD21 ASN 19 32.668 18.796 -14.492 139 HD22 ASN 19 HD22 ASN 19 32.454 17.112 -14.810 140 H LEU 20 H LEU 20 33.099 20.120 -9.384 141 HA LEU 20 HA LEU 20 33.214 17.975 -7.562 142 HB2 LEU 20 HB2 LEU 20 34.020 20.820 -7.574 143 HB3 LEU 20 HB3 LEU 20 33.830 20.063 -5.995 144 HG LEU 20 HG LEU 20 36.154 20.026 -6.769 145 HD11 LEU 20 HD11 LEU 20 34.814 18.039 -5.547 146 HD12 LEU 20 HD12 LEU 20 36.548 18.004 -5.859 147 HD13 LEU 20 HD13 LEU 20 35.438 17.174 -6.951 148 HD21 LEU 20 HD21 LEU 20 35.757 17.959 -8.784 149 HD22 LEU 20 HD22 LEU 20 36.790 19.388 -8.813 150 HD23 LEU 20 HD23 LEU 20 35.086 19.521 -9.248 151 H SER 21 H SER 21 30.866 20.427 -8.086 152 HA SER 21 HA SER 21 29.720 20.435 -5.474 153 HB2 SER 21 HB2 SER 21 29.448 22.036 -7.662 154 HB3 SER 21 HB3 SER 21 27.954 21.104 -7.743 155 HG SER 21 HG SER 21 27.253 22.378 -6.241 156 H VAL 22 H VAL 22 28.617 19.017 -8.556 157 HA VAL 22 HA VAL 22 26.552 17.490 -7.293 158 HB VAL 22 HB VAL 22 26.282 16.413 -9.502 159 HG11 VAL 22 HG11 VAL 22 26.555 19.410 -9.702 160 HG12 VAL 22 HG12 VAL 22 25.512 18.372 -10.677 161 HG13 VAL 22 HG13 VAL 22 25.196 18.572 -8.953 162 HG21 VAL 22 HG21 VAL 22 28.246 16.213 -10.610 163 HG22 VAL 22 HG22 VAL 22 27.748 17.755 -11.303 164 HG23 VAL 22 HG23 VAL 22 28.893 17.720 -9.961 165 H MET 23 H MET 23 29.796 16.796 -8.511 166 HA MET 23 HA MET 23 29.634 13.985 -8.022 167 HB2 MET 23 HB2 MET 23 31.232 15.383 -9.591 168 HB3 MET 23 HB3 MET 23 32.252 15.417 -8.159 169 HG2 MET 23 HG2 MET 23 31.222 12.765 -8.801 170 HG3 MET 23 HG3 MET 23 32.237 13.461 -10.061 171 HE1 MET 23 HE1 MET 23 34.127 10.783 -8.343 172 HE2 MET 23 HE2 MET 23 33.374 11.429 -9.802 173 HE3 MET 23 HE3 MET 23 35.036 11.864 -9.401 174 H GLY 24 H GLY 24 31.200 16.702 -6.339 175 HA2 GLY 24 HA2 GLY 24 32.303 15.188 -4.237 176 HA3 GLY 24 HA3 GLY 24 31.964 16.913 -4.185 177 H LEU 25 H LEU 25 29.100 16.523 -4.705 178 HA LEU 25 HA LEU 25 28.283 16.152 -1.980 179 HB2 LEU 25 HB2 LEU 25 26.945 16.922 -4.529 180 HB3 LEU 25 HB3 LEU 25 25.950 16.389 -3.176 181 HG LEU 25 HG LEU 25 26.541 18.948 -3.617 182 HD11 LEU 25 HD11 LEU 25 26.404 19.119 -0.989 183 HD12 LEU 25 HD12 LEU 25 26.029 17.401 -1.131 184 HD13 LEU 25 HD13 LEU 25 25.022 18.594 -1.951 185 HD21 LEU 25 HD21 LEU 25 28.982 18.495 -3.392 186 HD22 LEU 25 HD22 LEU 25 28.700 18.076 -1.703 187 HD23 LEU 25 HD23 LEU 25 28.367 19.711 -2.273 188 H ARG 26 H ARG 26 27.966 14.346 -4.992 189 HA ARG 26 HA ARG 26 26.253 12.339 -3.881 190 HB2 ARG 26 HB2 ARG 26 26.528 13.022 -6.357 191 HB3 ARG 26 HB3 ARG 26 27.943 11.978 -6.339 192 HG2 ARG 26 HG2 ARG 26 26.521 10.368 -6.938 193 HG3 ARG 26 HG3 ARG 26 26.042 10.362 -5.239 194 HD2 ARG 26 HD2 ARG 26 23.978 10.827 -5.932 195 HD3 ARG 26 HD3 ARG 26 24.575 12.432 -6.353 196 HE ARG 26 HE ARG 26 24.464 11.860 -8.569 197 HH11 ARG 26 HH11 ARG 26 24.202 8.986 -6.622 198 HH12 ARG 26 HH12 ARG 26 23.791 7.962 -7.957 199 HH21 ARG 26 HH21 ARG 26 23.924 10.521 -10.336 200 HH22 ARG 26 HH22 ARG 26 23.634 8.836 -10.069 201 H ILE 27 H ILE 27 29.715 12.634 -4.500 202 HA ILE 27 HA ILE 27 30.391 9.969 -3.820 203 HB ILE 27 HB ILE 27 31.846 12.449 -4.383 204 HG12 ILE 27 HG12 ILE 27 33.284 10.927 -5.620 205 HG13 ILE 27 HG13 ILE 27 32.548 9.539 -4.826 206 HG21 ILE 27 HG21 ILE 27 32.964 10.447 -2.433 207 HG22 ILE 27 HG22 ILE 27 33.960 11.578 -3.347 208 HG23 ILE 27 HG23 ILE 27 32.762 12.184 -2.205 209 HD11 ILE 27 HD11 ILE 27 30.723 9.583 -6.150 210 HD12 ILE 27 HD12 ILE 27 30.733 11.340 -6.299 211 HD13 ILE 27 HD13 ILE 27 31.850 10.367 -7.256 212 H LEU 28 H LEU 28 30.226 12.968 -1.957 213 HA LEU 28 HA LEU 28 31.295 11.876 0.438 214 HB2 LEU 28 HB2 LEU 28 31.437 14.165 0.397 215 HB3 LEU 28 HB3 LEU 28 29.836 14.358 -0.315 216 HG LEU 28 HG LEU 28 29.983 13.339 2.471 217 HD11 LEU 28 HD11 LEU 28 30.128 16.286 2.040 218 HD12 LEU 28 HD12 LEU 28 31.616 15.343 2.092 219 HD13 LEU 28 HD13 LEU 28 30.520 15.335 3.473 220 HD21 LEU 28 HD21 LEU 28 27.819 13.816 2.386 221 HD22 LEU 28 HD22 LEU 28 28.016 14.284 0.697 222 HD23 LEU 28 HD23 LEU 28 28.165 15.495 1.972 223 H LEU 29 H LEU 29 27.984 12.461 -0.697 224 HA LEU 29 HA LEU 29 26.589 11.701 1.571 225 HB2 LEU 29 HB2 LEU 29 25.154 12.537 0.039 226 HB3 LEU 29 HB3 LEU 29 26.021 11.822 -1.319 227 HG LEU 29 HG LEU 29 24.503 9.974 0.432 228 HD11 LEU 29 HD11 LEU 29 22.418 10.461 -0.809 229 HD12 LEU 29 HD12 LEU 29 23.186 11.902 -1.473 230 HD13 LEU 29 HD13 LEU 29 22.913 11.770 0.264 231 HD21 LEU 29 HD21 LEU 29 25.493 10.145 -2.328 232 HD22 LEU 29 HD22 LEU 29 23.902 9.404 -2.149 233 HD23 LEU 29 HD23 LEU 29 25.286 8.742 -1.278 234 H LEU 30 H LEU 30 27.803 9.679 -1.076 235 HA LEU 30 HA LEU 30 26.751 7.248 -0.041 236 HB2 LEU 30 HB2 LEU 30 27.985 8.069 -2.388 237 HB3 LEU 30 HB3 LEU 30 29.124 6.927 -1.675 238 HG LEU 30 HG LEU 30 27.426 5.196 -1.664 239 HD11 LEU 30 HD11 LEU 30 25.257 5.667 -2.862 240 HD12 LEU 30 HD12 LEU 30 25.638 7.382 -2.699 241 HD13 LEU 30 HD13 LEU 30 25.425 6.384 -1.260 242 HD21 LEU 30 HD21 LEU 30 28.174 6.614 -4.147 243 HD22 LEU 30 HD22 LEU 30 26.899 5.404 -4.282 244 HD23 LEU 30 HD23 LEU 30 28.482 4.950 -3.651 245 H LYS 31 H LYS 31 29.637 9.081 0.540 246 HA LYS 31 HA LYS 31 31.117 6.943 1.749 247 HB2 LYS 31 HB2 LYS 31 32.821 8.398 1.694 248 HB3 LYS 31 HB3 LYS 31 31.737 9.467 0.815 249 HG2 LYS 31 HG2 LYS 31 31.008 10.351 3.076 250 HG3 LYS 31 HG3 LYS 31 32.391 9.481 3.744 251 HD2 LYS 31 HD2 LYS 31 33.884 10.946 2.894 252 HD3 LYS 31 HD3 LYS 31 32.971 11.167 1.400 253 HE2 LYS 31 HE2 LYS 31 32.240 13.117 2.168 254 HE3 LYS 31 HE3 LYS 31 31.419 12.272 3.480 255 HZ1 LYS 31 HZ1 LYS 31 33.728 12.331 4.586 256 HZ2 LYS 31 HZ2 LYS 31 32.789 13.737 4.587 257 HZ3 LYS 31 HZ3 LYS 31 34.062 13.573 3.485 258 H VAL 32 H VAL 32 28.713 9.181 2.796 259 HA VAL 32 HA VAL 32 29.288 8.642 5.619 260 HB VAL 32 HB VAL 32 27.643 10.380 6.124 261 HG11 VAL 32 HG11 VAL 32 29.300 11.671 4.030 262 HG12 VAL 32 HG12 VAL 32 29.059 12.116 5.720 263 HG13 VAL 32 HG13 VAL 32 30.136 10.783 5.303 264 HG21 VAL 32 HG21 VAL 32 26.544 11.654 4.409 265 HG22 VAL 32 HG22 VAL 32 27.383 10.755 3.143 266 HG23 VAL 32 HG23 VAL 32 26.187 9.945 4.156 267 H ALA 33 H ALA 33 27.145 7.770 3.079 268 HA ALA 33 HA ALA 33 24.854 7.042 4.517 269 HB1 ALA 33 HB1 ALA 33 25.308 5.225 2.345 270 HB2 ALA 33 HB2 ALA 33 24.125 6.525 2.486 271 HB3 ALA 33 HB3 ALA 33 25.738 6.867 1.861 272 H GLY 34 H GLY 34 27.974 5.631 4.432 273 HA2 GLY 34 HA2 GLY 34 28.069 4.030 6.469 274 HA3 GLY 34 HA3 GLY 34 26.966 3.079 5.485 275 H PHE 35 H PHE 35 28.488 4.097 3.047 276 HA PHE 35 HA PHE 35 30.398 1.921 3.015 277 HB2 PHE 35 HB2 PHE 35 29.691 3.906 0.843 278 HB3 PHE 35 HB3 PHE 35 30.631 2.433 0.634 279 HD1 PHE 35 HD1 PHE 35 27.410 3.873 0.494 280 HD2 PHE 35 HD2 PHE 35 29.448 0.220 1.283 281 HE1 PHE 35 HE1 PHE 35 25.340 2.624 0.043 282 HE2 PHE 35 HE2 PHE 35 27.380 -1.034 0.832 283 HZ PHE 35 HZ PHE 35 25.322 0.167 0.210 284 H ASN 36 H ASN 36 31.402 3.478 4.844 285 HA ASN 36 HA ASN 36 33.967 4.041 4.195 286 HB2 ASN 36 HB2 ASN 36 32.214 6.082 3.111 287 HB3 ASN 36 HB3 ASN 36 33.376 6.773 4.239 288 HD21 ASN 36 HD21 ASN 36 34.458 7.849 2.596 289 HD22 ASN 36 HD22 ASN 36 35.474 7.023 1.469 290 H LEU 37 H LEU 37 31.434 6.009 5.763 291 HA LEU 37 HA LEU 37 32.921 6.769 7.989 292 HB2 LEU 37 HB2 LEU 37 30.941 7.937 7.660 293 HB3 LEU 37 HB3 LEU 37 29.991 6.465 7.470 294 HG LEU 37 HG LEU 37 31.205 6.979 10.130 295 HD11 LEU 37 HD11 LEU 37 28.778 8.455 9.121 296 HD12 LEU 37 HD12 LEU 37 30.340 9.177 9.504 297 HD13 LEU 37 HD13 LEU 37 29.372 8.442 10.782 298 HD21 LEU 37 HD21 LEU 37 28.411 6.273 10.015 299 HD22 LEU 37 HD22 LEU 37 29.763 5.398 10.736 300 HD23 LEU 37 HD23 LEU 37 29.383 5.181 9.027 301 H LEU 38 H LEU 38 30.923 3.902 7.461 302 HA LEU 38 HA LEU 38 30.872 2.850 10.016 303 HB2 LEU 38 HB2 LEU 38 29.990 1.034 9.049 304 HB3 LEU 38 HB3 LEU 38 30.006 2.028 7.593 305 HG LEU 38 HG LEU 38 32.389 0.955 7.279 306 HD11 LEU 38 HD11 LEU 38 31.765 -0.268 9.609 307 HD12 LEU 38 HD12 LEU 38 32.878 -0.924 8.409 308 HD13 LEU 38 HD13 LEU 38 31.201 -1.466 8.444 309 HD21 LEU 38 HD21 LEU 38 31.099 0.409 5.526 310 HD22 LEU 38 HD22 LEU 38 29.680 0.116 6.532 311 HD23 LEU 38 HD23 LEU 38 30.913 -1.135 6.361 312 H MET 39 H MET 39 33.506 3.023 7.757 313 HA MET 39 HA MET 39 35.187 1.021 8.671 314 HB2 MET 39 HB2 MET 39 35.578 2.500 6.688 315 HB3 MET 39 HB3 MET 39 36.061 3.778 7.795 316 HG2 MET 39 HG2 MET 39 37.837 2.235 8.652 317 HG3 MET 39 HG3 MET 39 37.420 1.137 7.338 318 HE1 MET 39 HE1 MET 39 40.117 2.471 8.203 319 HE2 MET 39 HE2 MET 39 40.376 1.596 6.694 320 HE3 MET 39 HE3 MET 39 40.882 3.280 6.836 321 H THR 40 H THR 40 34.624 4.245 9.981 322 HA THR 40 HA THR 40 36.687 4.438 11.807 323 HB THR 40 HB THR 40 35.226 5.902 13.141 324 HG1 THR 40 HG1 THR 40 33.036 6.168 12.394 325 HG21 THR 40 HG21 THR 40 34.310 6.990 10.695 326 HG22 THR 40 HG22 THR 40 35.854 6.201 10.369 327 HG23 THR 40 HG23 THR 40 35.743 7.441 11.618 328 H LEU 41 H LEU 41 33.418 3.158 12.458 329 HA LEU 41 HA LEU 41 34.124 2.176 15.037 330 HB2 LEU 41 HB2 LEU 41 31.856 2.731 14.669 331 HB3 LEU 41 HB3 LEU 41 31.769 1.724 13.226 332 HG LEU 41 HG LEU 41 32.317 0.399 15.834 333 HD11 LEU 41 HD11 LEU 41 29.477 0.805 15.104 334 HD12 LEU 41 HD12 LEU 41 30.315 2.149 15.878 335 HD13 LEU 41 HD13 LEU 41 30.225 0.585 16.686 336 HD21 LEU 41 HD21 LEU 41 31.837 -1.434 14.669 337 HD22 LEU 41 HD22 LEU 41 31.843 -0.421 13.225 338 HD23 LEU 41 HD23 LEU 41 30.328 -0.743 14.072 339 H ARG 42 H ARG 42 34.133 0.844 11.812 340 HA ARG 42 HA ARG 42 34.134 -1.866 12.266 341 HB2 ARG 42 HB2 ARG 42 34.270 -0.671 10.041 342 HB3 ARG 42 HB3 ARG 42 35.996 -0.499 10.324 343 HG2 ARG 42 HG2 ARG 42 36.187 -2.957 10.454 344 HG3 ARG 42 HG3 ARG 42 34.469 -3.081 10.065 345 HD2 ARG 42 HD2 ARG 42 34.796 -2.604 7.887 346 HD3 ARG 42 HD3 ARG 42 36.051 -1.415 8.232 347 HE ARG 42 HE ARG 42 37.065 -3.971 8.768 348 HH11 ARG 42 HH11 ARG 42 36.042 -2.018 6.073 349 HH12 ARG 42 HH12 ARG 42 37.104 -2.790 4.943 350 HH21 ARG 42 HH21 ARG 42 38.468 -4.996 7.289 351 HH22 ARG 42 HH22 ARG 42 38.482 -4.484 5.635 352 H LEU 43 H LEU 43 36.697 0.443 12.859 353 HA LEU 43 HA LEU 43 38.381 -1.743 13.891 354 HB2 LEU 43 HB2 LEU 43 39.079 0.907 12.668 355 HB3 LEU 43 HB3 LEU 43 40.230 0.019 13.664 356 HG LEU 43 HG LEU 43 39.016 -0.926 11.069 357 HD11 LEU 43 HD11 LEU 43 41.926 -0.499 11.504 358 HD12 LEU 43 HD12 LEU 43 40.901 0.907 11.220 359 HD13 LEU 43 HD13 LEU 43 40.973 -0.386 10.024 360 HD21 LEU 43 HD21 LEU 43 40.765 -2.744 11.348 361 HD22 LEU 43 HD22 LEU 43 39.339 -2.854 12.380 362 HD23 LEU 43 HD23 LEU 43 40.861 -2.250 13.038 363 H TRP 44 H TRP 44 36.797 1.251 14.603 364 HA TRP 44 HA TRP 44 38.078 1.394 17.236 365 HB2 TRP 44 HB2 TRP 44 37.852 3.440 15.727 366 HB3 TRP 44 HB3 TRP 44 36.128 3.383 16.079 367 HD1 TRP 44 HD1 TRP 44 35.358 4.031 18.564 368 HE1 TRP 44 HE1 TRP 44 36.537 5.349 20.434 369 HE3 TRP 44 HE3 TRP 44 40.140 3.899 16.760 370 HZ2 TRP 44 HZ2 TRP 44 39.148 6.219 21.061 371 HZ3 TRP 44 HZ3 TRP 44 41.920 4.999 18.055 372 HH2 TRP 44 HH2 TRP 44 41.432 6.134 20.161 373 H SER 45 H SER 45 37.049 0.825 19.049 374 HA SER 45 HA SER 45 34.750 -0.697 19.079 375 HB2 SER 45 HB2 SER 45 34.993 0.764 21.563 376 HB3 SER 45 HB3 SER 45 35.297 -0.943 21.239 377 HG SER 45 HG SER 45 37.356 -0.541 21.214 378 H SER 46 H SER 46 32.623 -0.308 19.056 379 HA SER 46 HA SER 46 30.665 0.823 18.776 380 HB2 SER 46 HB2 SER 46 31.969 2.493 20.932 381 HB3 SER 46 HB3 SER 46 30.300 2.723 20.408 382 HG SER 46 HG SER 46 30.110 0.367 20.895
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