NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
457015 | 2kha | 16231 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLN 6 H GLN 6 161.840 13.222 9.184 2 HA GLN 6 HA GLN 6 163.084 11.413 8.437 3 HB2 GLN 6 HB2 GLN 6 163.050 13.971 6.948 4 HB3 GLN 6 HB3 GLN 6 164.086 12.715 6.283 5 HG2 GLN 6 HG2 GLN 6 161.503 11.656 7.001 6 HG3 GLN 6 HG3 GLN 6 161.351 13.025 5.901 7 HE21 GLN 6 HE21 GLN 6 161.562 9.790 6.002 8 HE22 GLN 6 HE22 GLN 6 162.265 9.476 4.455 9 H TYR 7 H TYR 7 164.951 10.316 8.469 10 HA TYR 7 HA TYR 7 167.324 11.656 9.459 11 HB2 TYR 7 HB2 TYR 7 166.588 9.465 10.356 12 HB3 TYR 7 HB3 TYR 7 166.918 8.730 8.799 13 HD1 TYR 7 HD1 TYR 7 168.680 10.919 11.274 14 HD2 TYR 7 HD2 TYR 7 168.899 7.568 8.661 15 HE1 TYR 7 HE1 TYR 7 170.998 10.517 11.991 16 HE2 TYR 7 HE2 TYR 7 171.217 7.158 9.371 17 HH TYR 7 HH TYR 7 173.073 8.323 10.365 18 H VAL 8 H VAL 8 169.448 10.756 8.481 19 HA VAL 8 HA VAL 8 169.286 11.037 5.549 20 HB VAL 8 HB VAL 8 171.608 11.894 7.267 21 HG11 VAL 8 HG11 VAL 8 170.905 12.274 4.368 22 HG12 VAL 8 HG12 VAL 8 172.323 11.480 5.051 23 HG13 VAL 8 HG13 VAL 8 172.140 13.229 5.189 24 HG21 VAL 8 HG21 VAL 8 169.103 13.295 6.571 25 HG22 VAL 8 HG22 VAL 8 170.593 14.221 6.395 26 HG23 VAL 8 HG23 VAL 8 170.177 13.507 7.953 27 H VAL 9 H VAL 9 171.037 10.030 4.337 28 HA VAL 9 HA VAL 9 171.457 7.339 5.117 29 HB VAL 9 HB VAL 9 171.284 7.969 2.768 30 HG11 VAL 9 HG11 VAL 9 173.298 9.893 3.513 31 HG12 VAL 9 HG12 VAL 9 172.273 9.835 2.080 32 HG13 VAL 9 HG13 VAL 9 173.803 8.961 2.105 33 HG21 VAL 9 HG21 VAL 9 172.412 5.917 3.143 34 HG22 VAL 9 HG22 VAL 9 173.906 6.739 3.590 35 HG23 VAL 9 HG23 VAL 9 173.341 6.781 1.921 36 HA PRO 10 HA PRO 10 175.142 7.785 7.557 37 HB2 PRO 10 HB2 PRO 10 176.102 5.240 7.321 38 HB3 PRO 10 HB3 PRO 10 174.782 5.695 8.399 39 HG2 PRO 10 HG2 PRO 10 174.678 4.416 5.704 40 HG3 PRO 10 HG3 PRO 10 173.695 4.084 7.141 41 HD2 PRO 10 HD2 PRO 10 172.796 5.559 5.053 42 HD3 PRO 10 HD3 PRO 10 172.267 5.838 6.724 43 H SER 11 H SER 11 177.533 6.783 7.338 44 HA SER 11 HA SER 11 178.460 7.580 4.665 45 HB2 SER 11 HB2 SER 11 179.087 8.952 6.744 46 HB3 SER 11 HB3 SER 11 180.137 7.601 7.163 47 HG SER 11 HG SER 11 181.136 7.891 5.088 48 H ALA 12 H ALA 12 179.392 6.089 3.433 49 HA ALA 12 HA ALA 12 179.971 3.475 4.534 50 HB1 ALA 12 HB1 ALA 12 180.740 3.350 1.918 51 HB2 ALA 12 HB2 ALA 12 179.500 4.604 1.880 52 HB3 ALA 12 HB3 ALA 12 179.119 3.005 2.519 53 H LYS 13 H LYS 13 181.824 3.257 5.603 54 HA LYS 13 HA LYS 13 184.228 4.634 4.670 55 HB2 LYS 13 HB2 LYS 13 183.336 3.413 7.212 56 HB3 LYS 13 HB3 LYS 13 185.047 3.237 6.847 57 HG2 LYS 13 HG2 LYS 13 185.239 5.666 6.602 58 HG3 LYS 13 HG3 LYS 13 183.526 5.833 6.993 59 HD2 LYS 13 HD2 LYS 13 184.103 4.566 9.152 60 HD3 LYS 13 HD3 LYS 13 185.783 4.943 8.762 61 HE2 LYS 13 HE2 LYS 13 185.322 6.780 10.008 62 HE3 LYS 13 HE3 LYS 13 184.730 7.375 8.458 63 HZ1 LYS 13 HZ1 LYS 13 183.218 6.494 10.811 64 HZ2 LYS 13 HZ2 LYS 13 182.524 6.281 9.283 65 HZ3 LYS 13 HZ3 LYS 13 182.961 7.829 9.804 66 H LEU 14 H LEU 14 185.396 3.633 3.163 67 HA LEU 14 HA LEU 14 185.399 0.703 3.074 68 HB2 LEU 14 HB2 LEU 14 186.523 2.560 0.993 69 HB3 LEU 14 HB3 LEU 14 186.090 0.870 0.812 70 HG LEU 14 HG LEU 14 183.679 1.841 1.462 71 HD11 LEU 14 HD11 LEU 14 184.404 4.048 -0.310 72 HD12 LEU 14 HD12 LEU 14 185.097 4.171 1.306 73 HD13 LEU 14 HD13 LEU 14 183.351 4.023 1.103 74 HD21 LEU 14 HD21 LEU 14 183.634 0.660 -0.467 75 HD22 LEU 14 HD22 LEU 14 185.105 1.407 -1.089 76 HD23 LEU 14 HD23 LEU 14 183.571 2.272 -1.180 77 H GLU 15 H GLU 15 187.424 -0.354 2.400 78 HA GLU 15 HA GLU 15 189.917 0.952 3.038 79 HB2 GLU 15 HB2 GLU 15 190.463 -0.953 4.698 80 HB3 GLU 15 HB3 GLU 15 189.492 0.397 5.265 81 HG2 GLU 15 HG2 GLU 15 187.464 -0.931 4.940 82 HG3 GLU 15 HG3 GLU 15 188.447 -2.285 4.387 83 H ALA 16 H ALA 16 191.690 -0.115 2.115 84 HA ALA 16 HA ALA 16 190.976 -2.178 0.194 85 HB1 ALA 16 HB1 ALA 16 192.660 -1.384 -1.032 86 HB2 ALA 16 HB2 ALA 16 193.796 -1.490 0.310 87 HB3 ALA 16 HB3 ALA 16 192.757 -0.076 0.147 88 H ILE 17 H ILE 17 190.922 -4.215 0.853 89 HA ILE 17 HA ILE 17 192.529 -5.152 3.057 90 HB ILE 17 HB ILE 17 190.846 -6.872 1.242 91 HG12 ILE 17 HG12 ILE 17 189.499 -4.952 2.033 92 HG13 ILE 17 HG13 ILE 17 188.958 -6.474 2.736 93 HG21 ILE 17 HG21 ILE 17 190.588 -7.869 3.736 94 HG22 ILE 17 HG22 ILE 17 192.215 -7.191 3.831 95 HG23 ILE 17 HG23 ILE 17 191.827 -8.386 2.592 96 HD11 ILE 17 HD11 ILE 17 190.026 -5.950 4.817 97 HD12 ILE 17 HD12 ILE 17 189.003 -4.596 4.336 98 HD13 ILE 17 HD13 ILE 17 190.752 -4.499 4.124 99 H TYR 18 H TYR 18 194.168 -6.668 2.992 100 HA TYR 18 HA TYR 18 195.440 -7.011 0.365 101 HB2 TYR 18 HB2 TYR 18 196.543 -5.931 2.566 102 HB3 TYR 18 HB3 TYR 18 196.939 -7.622 2.856 103 HD1 TYR 18 HD1 TYR 18 197.050 -5.162 0.038 104 HD2 TYR 18 HD2 TYR 18 198.978 -8.357 2.080 105 HE1 TYR 18 HE1 TYR 18 198.974 -4.964 -1.481 106 HE2 TYR 18 HE2 TYR 18 200.907 -8.168 0.568 107 HH TYR 18 HH TYR 18 201.312 -5.519 -1.574 108 HA PRO 19 HA PRO 19 196.782 -8.082 -0.598 109 HB2 PRO 19 HB2 PRO 19 197.307 -10.056 -2.322 110 HB3 PRO 19 HB3 PRO 19 198.156 -9.937 -0.778 111 HG2 PRO 19 HG2 PRO 19 196.043 -11.825 -1.627 112 HG3 PRO 19 HG3 PRO 19 197.321 -12.034 -0.419 113 HD2 PRO 19 HD2 PRO 19 194.581 -11.336 0.024 114 HD3 PRO 19 HD3 PRO 19 195.870 -11.490 1.229 115 H ARG 20 H ARG 20 193.738 -9.430 -0.708 116 HA ARG 20 HA ARG 20 192.987 -7.885 -2.964 117 HB2 ARG 20 HB2 ARG 20 191.983 -9.824 -4.211 118 HB3 ARG 20 HB3 ARG 20 193.739 -9.756 -4.235 119 HG2 ARG 20 HG2 ARG 20 193.956 -11.689 -3.123 120 HG3 ARG 20 HG3 ARG 20 192.611 -11.333 -2.036 121 HD2 ARG 20 HD2 ARG 20 191.016 -12.016 -3.684 122 HD3 ARG 20 HD3 ARG 20 192.271 -12.164 -4.913 123 HE ARG 20 HE ARG 20 192.807 -14.227 -4.072 124 HH11 ARG 20 HH11 ARG 20 190.789 -12.553 -1.770 125 HH12 ARG 20 HH12 ARG 20 190.578 -13.941 -0.756 126 HH21 ARG 20 HH21 ARG 20 192.533 -16.054 -2.740 127 HH22 ARG 20 HH22 ARG 20 191.569 -15.928 -1.305 128 H GLY 21 H GLY 21 191.527 -6.872 -1.647 129 HA2 GLY 21 HA2 GLY 21 188.994 -8.066 -1.344 130 HA3 GLY 21 HA3 GLY 21 189.818 -8.081 0.197 131 H LEU 22 H LEU 22 187.499 -6.731 0.036 132 HA LEU 22 HA LEU 22 188.361 -4.005 0.523 133 HB2 LEU 22 HB2 LEU 22 187.617 -4.308 -1.944 134 HB3 LEU 22 HB3 LEU 22 185.997 -4.407 -1.282 135 HG LEU 22 HG LEU 22 186.476 -2.153 -2.065 136 HD11 LEU 22 HD11 LEU 22 186.468 -2.063 0.933 137 HD12 LEU 22 HD12 LEU 22 185.078 -2.627 0.007 138 HD13 LEU 22 HD13 LEU 22 185.670 -0.979 -0.205 139 HD21 LEU 22 HD21 LEU 22 188.262 -1.159 -0.142 140 HD22 LEU 22 HD22 LEU 22 188.529 -1.329 -1.876 141 HD23 LEU 22 HD23 LEU 22 188.997 -2.629 -0.781 142 H ARG 23 H ARG 23 187.491 -3.407 2.390 143 HA ARG 23 HA ARG 23 184.921 -4.615 3.182 144 HB2 ARG 23 HB2 ARG 23 186.845 -5.302 4.576 145 HB3 ARG 23 HB3 ARG 23 187.141 -3.617 4.975 146 HG2 ARG 23 HG2 ARG 23 185.292 -3.471 6.337 147 HG3 ARG 23 HG3 ARG 23 184.466 -4.809 5.535 148 HD2 ARG 23 HD2 ARG 23 185.143 -5.625 7.648 149 HD3 ARG 23 HD3 ARG 23 186.260 -6.316 6.473 150 HE ARG 23 HE ARG 23 187.970 -5.113 7.425 151 HH11 ARG 23 HH11 ARG 23 184.917 -3.929 8.638 152 HH12 ARG 23 HH12 ARG 23 185.645 -2.946 9.864 153 HH21 ARG 23 HH21 ARG 23 188.925 -3.821 9.038 154 HH22 ARG 23 HH22 ARG 23 187.919 -2.884 10.090 155 H VAL 24 H VAL 24 183.262 -3.318 3.682 156 HA VAL 24 HA VAL 24 183.790 -0.431 3.945 157 HB VAL 24 HB VAL 24 181.371 -1.662 2.629 158 HG11 VAL 24 HG11 VAL 24 180.789 0.440 3.558 159 HG12 VAL 24 HG12 VAL 24 181.049 0.710 1.836 160 HG13 VAL 24 HG13 VAL 24 182.289 1.180 2.998 161 HG21 VAL 24 HG21 VAL 24 183.922 -0.587 1.484 162 HG22 VAL 24 HG22 VAL 24 182.420 -0.543 0.560 163 HG23 VAL 24 HG23 VAL 24 183.076 -2.087 1.103 164 H SER 25 H SER 25 182.153 0.757 5.177 165 HA SER 25 HA SER 25 180.374 -0.807 6.855 166 HB2 SER 25 HB2 SER 25 182.066 1.028 8.435 167 HB3 SER 25 HB3 SER 25 181.441 -0.569 8.846 168 HG SER 25 HG SER 25 183.489 -1.058 8.549 169 H ILE 26 H ILE 26 178.695 0.371 7.743 170 HA ILE 26 HA ILE 26 178.676 3.279 7.297 171 HB ILE 26 HB ILE 26 176.268 3.040 6.497 172 HG12 ILE 26 HG12 ILE 26 176.815 0.454 5.270 173 HG13 ILE 26 HG13 ILE 26 176.741 0.356 7.025 174 HG21 ILE 26 HG21 ILE 26 176.943 2.734 4.174 175 HG22 ILE 26 HG22 ILE 26 178.483 2.059 4.705 176 HG23 ILE 26 HG23 ILE 26 178.090 3.745 5.048 177 HD11 ILE 26 HD11 ILE 26 174.533 1.129 7.082 178 HD12 ILE 26 HD12 ILE 26 174.586 -0.019 5.745 179 HD13 ILE 26 HD13 ILE 26 174.606 1.715 5.421 180 HA PRO 27 HA PRO 27 177.042 3.134 11.465 181 HB2 PRO 27 HB2 PRO 27 175.980 5.691 11.426 182 HB3 PRO 27 HB3 PRO 27 177.652 5.297 11.836 183 HG2 PRO 27 HG2 PRO 27 176.511 6.276 9.258 184 HG3 PRO 27 HG3 PRO 27 178.045 6.696 10.039 185 HD2 PRO 27 HD2 PRO 27 177.942 5.001 7.959 186 HD3 PRO 27 HD3 PRO 27 179.099 4.776 9.286 187 H ASP 28 H ASP 28 175.402 1.628 11.153 188 HA ASP 28 HA ASP 28 173.035 2.027 9.729 189 HB2 ASP 28 HB2 ASP 28 173.762 -0.191 10.415 190 HB3 ASP 28 HB3 ASP 28 173.573 0.242 12.110 191 H ASP 29 H ASP 29 170.857 2.196 10.582 192 HA ASP 29 HA ASP 29 170.540 3.536 13.141 193 HB2 ASP 29 HB2 ASP 29 170.831 5.100 10.898 194 HB3 ASP 29 HB3 ASP 29 169.081 4.925 10.999 195 H GLY 30 H GLY 30 169.782 1.010 12.526 196 HA2 GLY 30 HA2 GLY 30 167.984 -0.379 12.746 197 HA3 GLY 30 HA3 GLY 30 167.024 1.049 13.063 198 H PHE 31 H PHE 31 168.871 0.271 10.155 199 HA PHE 31 HA PHE 31 166.538 0.799 8.531 200 HB2 PHE 31 HB2 PHE 31 169.235 -0.142 7.559 201 HB3 PHE 31 HB3 PHE 31 167.995 0.704 6.639 202 HD1 PHE 31 HD1 PHE 31 167.266 2.920 8.339 203 HD2 PHE 31 HD2 PHE 31 171.099 1.209 7.644 204 HE1 PHE 31 HE1 PHE 31 168.322 5.071 8.895 205 HE2 PHE 31 HE2 PHE 31 172.162 3.356 8.198 206 HZ PHE 31 HZ PHE 31 170.773 5.291 8.824 207 H SER 32 H SER 32 166.766 -0.788 6.420 208 HA SER 32 HA SER 32 166.542 -3.539 7.393 209 HB2 SER 32 HB2 SER 32 164.531 -1.984 5.776 210 HB3 SER 32 HB3 SER 32 164.584 -3.746 5.727 211 HG SER 32 HG SER 32 164.431 -3.604 8.096 212 H LEU 33 H LEU 33 167.321 -1.292 4.804 213 HA LEU 33 HA LEU 33 168.708 -3.530 3.482 214 HB2 LEU 33 HB2 LEU 33 166.429 -2.959 2.376 215 HB3 LEU 33 HB3 LEU 33 167.258 -1.533 1.806 216 HG LEU 33 HG LEU 33 169.035 -3.181 0.900 217 HD11 LEU 33 HD11 LEU 33 168.343 -5.365 0.396 218 HD12 LEU 33 HD12 LEU 33 166.672 -5.031 0.855 219 HD13 LEU 33 HD13 LEU 33 167.925 -5.123 2.094 220 HD21 LEU 33 HD21 LEU 33 168.191 -2.619 -1.075 221 HD22 LEU 33 HD22 LEU 33 166.841 -1.899 -0.198 222 HD23 LEU 33 HD23 LEU 33 166.721 -3.553 -0.798 223 H PHE 34 H PHE 34 170.681 -3.067 2.807 224 HA PHE 34 HA PHE 34 171.460 -0.244 2.544 225 HB2 PHE 34 HB2 PHE 34 172.411 -1.125 4.597 226 HB3 PHE 34 HB3 PHE 34 173.062 -2.512 3.738 227 HD1 PHE 34 HD1 PHE 34 173.138 1.199 3.328 228 HD2 PHE 34 HD2 PHE 34 175.322 -2.452 3.403 229 HE1 PHE 34 HE1 PHE 34 175.215 2.437 2.873 230 HE2 PHE 34 HE2 PHE 34 177.404 -1.221 2.948 231 HZ PHE 34 HZ PHE 34 177.352 1.227 2.682 232 H ALA 35 H ALA 35 171.296 -0.225 0.304 233 HA ALA 35 HA ALA 35 172.657 -2.252 -1.265 234 HB1 ALA 35 HB1 ALA 35 170.412 -0.965 -1.783 235 HB2 ALA 35 HB2 ALA 35 171.500 -1.471 -3.076 236 HB3 ALA 35 HB3 ALA 35 171.520 0.199 -2.509 237 H PHE 36 H PHE 36 174.621 -2.056 -2.168 238 HA PHE 36 HA PHE 36 175.943 0.573 -2.004 239 HB2 PHE 36 HB2 PHE 36 176.815 -1.108 -0.373 240 HB3 PHE 36 HB3 PHE 36 177.281 -2.125 -1.731 241 HD1 PHE 36 HD1 PHE 36 179.055 -1.374 -3.282 242 HD2 PHE 36 HD2 PHE 36 178.117 0.760 0.279 243 HE1 PHE 36 HE1 PHE 36 181.211 -0.197 -3.424 244 HE2 PHE 36 HE2 PHE 36 180.272 1.941 0.142 245 HZ PHE 36 HZ PHE 36 181.822 1.463 -1.711 246 H HIS 37 H HIS 37 176.539 1.395 -3.885 247 HA HIS 37 HA HIS 37 177.098 -0.395 -6.149 248 HB2 HIS 37 HB2 HIS 37 175.120 1.662 -5.849 249 HB3 HIS 37 HB3 HIS 37 176.288 2.163 -7.051 250 HD1 HIS 37 HD1 HIS 37 174.568 1.883 -8.975 251 HD2 HIS 37 HD2 HIS 37 175.298 -1.600 -6.835 252 HE1 HIS 37 HE1 HIS 37 173.514 0.039 -10.316 253 HE2 HIS 37 HE2 HIS 37 174.040 -2.070 -9.043 254 H GLY 38 H GLY 38 179.255 -0.188 -6.726 255 HA2 GLY 38 HA2 GLY 38 180.369 2.519 -6.711 256 HA3 GLY 38 HA3 GLY 38 181.137 1.359 -5.647 257 H LYS 39 H LYS 39 181.759 2.902 -8.264 258 HA LYS 39 HA LYS 39 182.775 0.620 -9.812 259 HB2 LYS 39 HB2 LYS 39 181.309 2.509 -10.846 260 HB3 LYS 39 HB3 LYS 39 182.786 3.461 -10.781 261 HG2 LYS 39 HG2 LYS 39 183.883 2.088 -12.311 262 HG3 LYS 39 HG3 LYS 39 182.735 0.767 -12.087 263 HD2 LYS 39 HD2 LYS 39 181.061 2.675 -12.963 264 HD3 LYS 39 HD3 LYS 39 182.544 3.189 -13.770 265 HE2 LYS 39 HE2 LYS 39 181.908 0.308 -13.901 266 HE3 LYS 39 HE3 LYS 39 180.839 1.385 -14.801 267 HZ1 LYS 39 HZ1 LYS 39 183.126 0.413 -15.766 268 HZ2 LYS 39 HZ2 LYS 39 183.675 1.883 -15.133 269 HZ3 LYS 39 HZ3 LYS 39 182.435 1.869 -16.283 270 H LEU 40 H LEU 40 184.952 0.569 -10.451 271 HA LEU 40 HA LEU 40 186.724 2.083 -8.677 272 HB2 LEU 40 HB2 LEU 40 186.769 -0.456 -8.817 273 HB3 LEU 40 HB3 LEU 40 187.472 -0.261 -10.410 274 HG LEU 40 HG LEU 40 189.335 1.043 -9.336 275 HD11 LEU 40 HD11 LEU 40 189.496 1.356 -7.106 276 HD12 LEU 40 HD12 LEU 40 188.697 -0.170 -6.724 277 HD13 LEU 40 HD13 LEU 40 187.738 1.235 -7.190 278 HD21 LEU 40 HD21 LEU 40 188.935 -1.811 -8.443 279 HD22 LEU 40 HD22 LEU 40 190.475 -0.952 -8.481 280 HD23 LEU 40 HD23 LEU 40 189.615 -1.283 -9.984 281 H ASN 41 H ASN 41 187.842 3.743 -9.430 282 HA ASN 41 HA ASN 41 188.851 5.220 -10.831 283 HB2 ASN 41 HB2 ASN 41 190.007 2.836 -11.349 284 HB3 ASN 41 HB3 ASN 41 189.358 3.206 -12.943 285 HD21 ASN 41 HD21 ASN 41 192.000 3.017 -12.734 286 HD22 ASN 41 HD22 ASN 41 192.750 4.571 -12.815 287 H GLU 42 H GLU 42 186.329 5.633 -11.033 288 HA GLU 42 HA GLU 42 185.853 6.724 -13.514 289 HB2 GLU 42 HB2 GLU 42 185.693 4.365 -14.298 290 HB3 GLU 42 HB3 GLU 42 184.346 4.123 -13.193 291 HG2 GLU 42 HG2 GLU 42 183.041 5.782 -14.365 292 HG3 GLU 42 HG3 GLU 42 184.402 6.136 -15.427 293 H GLU 43 H GLU 43 184.795 8.379 -12.738 294 HA GLU 43 HA GLU 43 183.251 8.479 -10.435 295 HB2 GLU 43 HB2 GLU 43 182.922 10.283 -12.833 296 HB3 GLU 43 HB3 GLU 43 182.516 10.655 -11.163 297 HG2 GLU 43 HG2 GLU 43 184.839 10.606 -10.543 298 HG3 GLU 43 HG3 GLU 43 185.284 10.103 -12.167 299 H MET 44 H MET 44 180.890 9.690 -10.980 300 HA MET 44 HA MET 44 179.268 8.172 -12.787 301 HB2 MET 44 HB2 MET 44 177.912 7.668 -10.375 302 HB3 MET 44 HB3 MET 44 178.663 6.494 -11.443 303 HG2 MET 44 HG2 MET 44 180.541 6.300 -10.139 304 HG3 MET 44 HG3 MET 44 180.345 7.898 -9.426 305 HE1 MET 44 HE1 MET 44 179.503 4.123 -9.228 306 HE2 MET 44 HE2 MET 44 177.951 4.744 -9.790 307 HE3 MET 44 HE3 MET 44 178.097 4.074 -8.163 308 H ASP 45 H ASP 45 177.183 9.032 -13.028 309 HA ASP 45 HA ASP 45 176.562 11.412 -11.425 310 HB2 ASP 45 HB2 ASP 45 177.655 12.045 -13.611 311 HB3 ASP 45 HB3 ASP 45 176.274 11.324 -14.433 312 H GLY 46 H GLY 46 175.431 8.980 -10.977 313 HA2 GLY 46 HA2 GLY 46 172.747 9.424 -10.901 314 HA3 GLY 46 HA3 GLY 46 173.033 8.593 -12.422 315 H LEU 47 H LEU 47 172.382 6.553 -12.146 316 HA LEU 47 HA LEU 47 173.364 5.119 -9.795 317 HB2 LEU 47 HB2 LEU 47 170.799 4.703 -11.313 318 HB3 LEU 47 HB3 LEU 47 171.323 3.826 -9.897 319 HG LEU 47 HG LEU 47 170.989 6.798 -9.819 320 HD11 LEU 47 HD11 LEU 47 168.888 4.723 -9.906 321 HD12 LEU 47 HD12 LEU 47 168.815 6.434 -10.326 322 HD13 LEU 47 HD13 LEU 47 168.727 5.936 -8.637 323 HD21 LEU 47 HD21 LEU 47 172.189 5.366 -8.042 324 HD22 LEU 47 HD22 LEU 47 170.566 4.843 -7.588 325 HD23 LEU 47 HD23 LEU 47 170.995 6.552 -7.512 326 H GLU 48 H GLU 48 175.223 4.765 -11.271 327 HA GLU 48 HA GLU 48 174.766 2.889 -13.449 328 HB2 GLU 48 HB2 GLU 48 177.152 4.415 -12.454 329 HB3 GLU 48 HB3 GLU 48 177.356 3.066 -13.562 330 HG2 GLU 48 HG2 GLU 48 176.781 4.311 -15.299 331 HG3 GLU 48 HG3 GLU 48 175.302 4.846 -14.503 332 H ALA 49 H ALA 49 175.505 0.789 -13.508 333 HA ALA 49 HA ALA 49 175.392 -0.729 -11.218 334 HB1 ALA 49 HB1 ALA 49 176.353 -1.214 -13.980 335 HB2 ALA 49 HB2 ALA 49 175.069 -2.010 -13.070 336 HB3 ALA 49 HB3 ALA 49 176.756 -2.406 -12.743 337 H GLY 50 H GLY 50 178.085 1.014 -12.527 338 HA2 GLY 50 HA2 GLY 50 180.295 1.174 -11.906 339 HA3 GLY 50 HA3 GLY 50 179.648 1.017 -10.280 340 H HIS 51 H HIS 51 180.284 -0.670 -9.118 341 HA HIS 51 HA HIS 51 181.087 -3.127 -10.453 342 HB2 HIS 51 HB2 HIS 51 182.958 -1.262 -9.351 343 HB3 HIS 51 HB3 HIS 51 182.982 -2.728 -8.379 344 HD1 HIS 51 HD1 HIS 51 182.787 -4.930 -10.362 345 HD2 HIS 51 HD2 HIS 51 184.992 -1.488 -11.103 346 HE1 HIS 51 HE1 HIS 51 184.461 -5.571 -12.126 347 HE2 HIS 51 HE2 HIS 51 185.845 -3.497 -12.491 348 H TRP 52 H TRP 52 181.610 -2.031 -7.127 349 HA TRP 52 HA TRP 52 180.568 -4.375 -5.982 350 HB2 TRP 52 HB2 TRP 52 180.958 -1.613 -4.812 351 HB3 TRP 52 HB3 TRP 52 180.525 -3.031 -3.863 352 HD1 TRP 52 HD1 TRP 52 182.407 -5.055 -3.826 353 HE1 TRP 52 HE1 TRP 52 184.973 -4.895 -3.911 354 HE3 TRP 52 HE3 TRP 52 182.864 -0.320 -5.697 355 HZ2 TRP 52 HZ2 TRP 52 186.935 -3.010 -4.671 356 HZ3 TRP 52 HZ3 TRP 52 185.121 0.587 -6.076 357 HH2 TRP 52 HH2 TRP 52 187.112 -0.731 -5.571 358 H ALA 53 H ALA 53 178.556 -4.877 -6.754 359 HA ALA 53 HA ALA 53 176.381 -3.009 -6.075 360 HB1 ALA 53 HB1 ALA 53 176.688 -4.873 -8.406 361 HB2 ALA 53 HB2 ALA 53 176.369 -3.138 -8.409 362 HB3 ALA 53 HB3 ALA 53 175.110 -4.265 -7.904 363 H ARG 54 H ARG 54 176.255 -3.963 -3.955 364 HA ARG 54 HA ARG 54 174.808 -6.517 -3.990 365 HB2 ARG 54 HB2 ARG 54 177.121 -6.923 -3.309 366 HB3 ARG 54 HB3 ARG 54 176.965 -5.731 -2.033 367 HG2 ARG 54 HG2 ARG 54 174.868 -7.682 -1.820 368 HG3 ARG 54 HG3 ARG 54 176.440 -8.479 -1.891 369 HD2 ARG 54 HD2 ARG 54 176.613 -6.210 -0.161 370 HD3 ARG 54 HD3 ARG 54 175.228 -7.192 0.312 371 HE ARG 54 HE ARG 54 177.971 -7.834 0.676 372 HH11 ARG 54 HH11 ARG 54 174.860 -9.261 -0.008 373 HH12 ARG 54 HH12 ARG 54 175.283 -10.803 0.656 374 HH21 ARG 54 HH21 ARG 54 178.528 -9.860 1.549 375 HH22 ARG 54 HH22 ARG 54 177.365 -11.144 1.541 376 H ASP 55 H ASP 55 173.005 -6.578 -2.792 377 HA ASP 55 HA ASP 55 172.372 -4.220 -1.149 378 HB2 ASP 55 HB2 ASP 55 170.938 -5.444 -3.194 379 HB3 ASP 55 HB3 ASP 55 170.137 -5.989 -1.726 380 H ILE 56 H ILE 56 172.704 -4.557 0.958 381 HA ILE 56 HA ILE 56 172.407 -7.240 2.065 382 HB ILE 56 HB ILE 56 173.295 -4.757 3.531 383 HG12 ILE 56 HG12 ILE 56 175.215 -6.797 2.466 384 HG13 ILE 56 HG13 ILE 56 174.643 -5.517 1.401 385 HG21 ILE 56 HG21 ILE 56 173.112 -7.635 4.154 386 HG22 ILE 56 HG22 ILE 56 172.980 -6.232 5.213 387 HG23 ILE 56 HG23 ILE 56 174.568 -6.808 4.705 388 HD11 ILE 56 HD11 ILE 56 175.973 -4.010 2.344 389 HD12 ILE 56 HD12 ILE 56 176.796 -5.379 3.091 390 HD13 ILE 56 HD13 ILE 56 175.537 -4.518 3.976 391 H THR 57 H THR 57 171.082 -7.667 3.904 392 HA THR 57 HA THR 57 168.873 -5.744 4.228 393 HB THR 57 HB THR 57 167.381 -7.665 4.609 394 HG1 THR 57 HG1 THR 57 168.670 -9.266 5.323 395 HG21 THR 57 HG21 THR 57 167.979 -8.801 2.220 396 HG22 THR 57 HG22 THR 57 168.756 -7.225 2.070 397 HG23 THR 57 HG23 THR 57 167.033 -7.328 2.433 398 H LYS 58 H LYS 58 171.200 -7.758 5.818 399 HA LYS 58 HA LYS 58 170.085 -6.918 8.412 400 HB2 LYS 58 HB2 LYS 58 170.336 -9.509 7.558 401 HB3 LYS 58 HB3 LYS 58 171.828 -9.279 8.459 402 HG2 LYS 58 HG2 LYS 58 169.410 -8.304 9.807 403 HG3 LYS 58 HG3 LYS 58 169.474 -10.049 9.546 404 HD2 LYS 58 HD2 LYS 58 171.004 -10.315 11.148 405 HD3 LYS 58 HD3 LYS 58 172.010 -9.021 10.494 406 HE2 LYS 58 HE2 LYS 58 171.491 -8.100 12.512 407 HE3 LYS 58 HE3 LYS 58 170.124 -7.508 11.571 408 HZ1 LYS 58 HZ1 LYS 58 168.686 -8.815 12.674 409 HZ2 LYS 58 HZ2 LYS 58 169.869 -8.791 13.882 410 HZ3 LYS 58 HZ3 LYS 58 169.770 -10.105 12.821 411 HA PRO 59 HA PRO 59 173.957 -4.667 8.697 412 HB2 PRO 59 HB2 PRO 59 173.201 -4.556 11.564 413 HB3 PRO 59 HB3 PRO 59 173.598 -3.238 10.458 414 HG2 PRO 59 HG2 PRO 59 171.081 -3.679 11.231 415 HG3 PRO 59 HG3 PRO 59 171.455 -3.163 9.577 416 HD2 PRO 59 HD2 PRO 59 170.731 -5.877 10.600 417 HD3 PRO 59 HD3 PRO 59 170.262 -5.079 9.084 418 H LYS 60 H LYS 60 175.532 -4.636 10.889 419 HA LYS 60 HA LYS 60 176.264 -7.470 11.279 420 HB2 LYS 60 HB2 LYS 60 177.814 -5.214 10.339 421 HB3 LYS 60 HB3 LYS 60 178.534 -5.896 11.791 422 HG2 LYS 60 HG2 LYS 60 177.757 -7.588 9.437 423 HG3 LYS 60 HG3 LYS 60 179.336 -6.812 9.574 424 HD2 LYS 60 HD2 LYS 60 180.026 -8.549 10.781 425 HD3 LYS 60 HD3 LYS 60 178.885 -8.074 12.039 426 HE2 LYS 60 HE2 LYS 60 177.698 -9.552 9.798 427 HE3 LYS 60 HE3 LYS 60 178.871 -10.468 10.744 428 HZ1 LYS 60 HZ1 LYS 60 176.260 -10.139 11.376 429 HZ2 LYS 60 HZ2 LYS 60 177.010 -8.983 12.356 430 HZ3 LYS 60 HZ3 LYS 60 177.474 -10.606 12.459 431 H GLU 61 H GLU 61 176.325 -4.243 12.694 432 HA GLU 61 HA GLU 61 175.353 -4.957 15.180 433 HB2 GLU 61 HB2 GLU 61 177.483 -6.170 15.473 434 HB3 GLU 61 HB3 GLU 61 178.365 -4.682 15.157 435 HG2 GLU 61 HG2 GLU 61 177.618 -3.701 17.174 436 HG3 GLU 61 HG3 GLU 61 176.424 -4.973 17.430 437 H GLY 62 H GLY 62 174.246 -3.085 14.445 438 HA2 GLY 62 HA2 GLY 62 173.782 -0.838 14.673 439 HA3 GLY 62 HA3 GLY 62 175.289 -0.670 15.570 440 H ARG 63 H ARG 63 176.053 -2.262 12.813 441 HA ARG 63 HA ARG 63 176.190 -0.027 10.990 442 HB2 ARG 63 HB2 ARG 63 178.502 -0.851 12.642 443 HB3 ARG 63 HB3 ARG 63 178.833 -0.639 10.929 444 HG2 ARG 63 HG2 ARG 63 178.289 1.624 10.979 445 HG3 ARG 63 HG3 ARG 63 177.414 1.474 12.504 446 HD2 ARG 63 HD2 ARG 63 180.265 0.728 12.577 447 HD3 ARG 63 HD3 ARG 63 179.926 2.435 12.293 448 HE ARG 63 HE ARG 63 178.453 1.325 14.494 449 HH11 ARG 63 HH11 ARG 63 181.471 2.783 13.526 450 HH12 ARG 63 HH12 ARG 63 181.850 3.354 15.116 451 HH21 ARG 63 HH21 ARG 63 178.948 2.077 16.588 452 HH22 ARG 63 HH22 ARG 63 180.417 2.954 16.855 453 H TRP 64 H TRP 64 176.134 -0.794 8.912 454 HA TRP 64 HA TRP 64 176.145 -3.635 8.529 455 HB2 TRP 64 HB2 TRP 64 176.036 -1.486 6.421 456 HB3 TRP 64 HB3 TRP 64 175.602 -3.166 6.233 457 HD1 TRP 64 HD1 TRP 64 174.395 -0.268 8.527 458 HE1 TRP 64 HE1 TRP 64 171.834 -0.401 8.660 459 HE3 TRP 64 HE3 TRP 64 173.628 -4.399 5.609 460 HZ2 TRP 64 HZ2 TRP 64 169.758 -2.024 7.657 461 HZ3 TRP 64 HZ3 TRP 64 171.317 -5.174 5.253 462 HH2 TRP 64 HH2 TRP 64 169.422 -4.008 6.260 463 H THR 65 H THR 65 177.492 -4.733 7.025 464 HA THR 65 HA THR 65 180.087 -3.464 6.515 465 HB THR 65 HB THR 65 179.723 -6.230 7.678 466 HG1 THR 65 HG1 THR 65 180.726 -5.298 9.506 467 HG21 THR 65 HG21 THR 65 182.138 -4.735 6.764 468 HG22 THR 65 HG22 THR 65 181.687 -6.417 6.483 469 HG23 THR 65 HG23 THR 65 182.247 -5.909 8.075 470 H PHE 66 H PHE 66 180.537 -3.573 4.431 471 HA PHE 66 HA PHE 66 179.477 -5.834 2.871 472 HB2 PHE 66 HB2 PHE 66 178.555 -3.804 2.019 473 HB3 PHE 66 HB3 PHE 66 180.113 -2.992 2.074 474 HD1 PHE 66 HD1 PHE 66 178.469 -5.927 0.467 475 HD2 PHE 66 HD2 PHE 66 181.310 -2.777 0.126 476 HE1 PHE 66 HE1 PHE 66 178.868 -6.547 -1.881 477 HE2 PHE 66 HE2 PHE 66 181.713 -3.390 -2.221 478 HZ PHE 66 HZ PHE 66 180.493 -5.278 -3.228 479 H ARG 67 H ARG 67 181.194 -7.234 3.280 480 HA ARG 67 HA ARG 67 183.890 -6.377 2.589 481 HB2 ARG 67 HB2 ARG 67 182.708 -8.471 4.233 482 HB3 ARG 67 HB3 ARG 67 183.996 -9.083 3.205 483 HG2 ARG 67 HG2 ARG 67 184.619 -6.577 4.596 484 HG3 ARG 67 HG3 ARG 67 184.363 -7.973 5.645 485 HD2 ARG 67 HD2 ARG 67 186.211 -7.985 3.266 486 HD3 ARG 67 HD3 ARG 67 186.736 -7.608 4.907 487 HE ARG 67 HE ARG 67 186.108 -10.202 3.835 488 HH11 ARG 67 HH11 ARG 67 186.374 -8.290 6.742 489 HH12 ARG 67 HH12 ARG 67 186.621 -9.660 7.771 490 HH21 ARG 67 HH21 ARG 67 186.432 -12.006 5.188 491 HH22 ARG 67 HH22 ARG 67 186.654 -11.770 6.889 492 H ASP 68 H ASP 68 185.023 -7.042 0.847 493 HA ASP 68 HA ASP 68 183.851 -9.063 -0.921 494 HB2 ASP 68 HB2 ASP 68 183.636 -6.359 -1.469 495 HB3 ASP 68 HB3 ASP 68 185.054 -6.840 -2.395 496 H ARG 69 H ARG 69 185.409 -10.574 -0.664 497 HA ARG 69 HA ARG 69 188.217 -9.826 -0.715 498 HB2 ARG 69 HB2 ARG 69 188.562 -12.301 -0.349 499 HB3 ARG 69 HB3 ARG 69 187.679 -11.461 0.917 500 HG2 ARG 69 HG2 ARG 69 185.904 -12.527 -1.108 501 HG3 ARG 69 HG3 ARG 69 186.912 -13.779 -0.381 502 HD2 ARG 69 HD2 ARG 69 186.144 -12.348 1.807 503 HD3 ARG 69 HD3 ARG 69 184.723 -12.205 0.774 504 HE ARG 69 HE ARG 69 185.672 -14.570 2.105 505 HH11 ARG 69 HH11 ARG 69 183.779 -13.352 -0.562 506 HH12 ARG 69 HH12 ARG 69 182.819 -14.785 -0.698 507 HH21 ARG 69 HH21 ARG 69 184.410 -16.458 1.926 508 HH22 ARG 69 HH22 ARG 69 183.175 -16.549 0.714 509 H ASN 70 H ASN 70 186.416 -9.681 -3.144 510 HA ASN 70 HA ASN 70 188.158 -11.245 -4.921 511 HB2 ASN 70 HB2 ASN 70 185.272 -11.423 -4.630 512 HB3 ASN 70 HB3 ASN 70 185.730 -11.012 -6.280 513 HD21 ASN 70 HD21 ASN 70 185.186 -12.949 -7.173 514 HD22 ASN 70 HD22 ASN 70 186.026 -14.421 -6.842 515 H ALA 71 H ALA 71 188.160 -8.412 -4.037 516 HA ALA 71 HA ALA 71 187.620 -7.070 -6.596 517 HB1 ALA 71 HB1 ALA 71 186.728 -6.283 -4.236 518 HB2 ALA 71 HB2 ALA 71 187.215 -5.124 -5.472 519 HB3 ALA 71 HB3 ALA 71 188.317 -5.526 -4.154 520 H LYS 72 H LYS 72 189.418 -7.377 -7.814 521 HA LYS 72 HA LYS 72 192.062 -7.296 -6.731 522 HB2 LYS 72 HB2 LYS 72 191.358 -8.588 -8.779 523 HB3 LYS 72 HB3 LYS 72 191.264 -7.055 -9.635 524 HG2 LYS 72 HG2 LYS 72 193.750 -6.868 -8.641 525 HG3 LYS 72 HG3 LYS 72 193.615 -8.620 -8.795 526 HD2 LYS 72 HD2 LYS 72 192.606 -7.185 -11.125 527 HD3 LYS 72 HD3 LYS 72 194.312 -6.867 -10.802 528 HE2 LYS 72 HE2 LYS 72 193.500 -9.686 -10.599 529 HE3 LYS 72 HE3 LYS 72 193.384 -8.987 -12.214 530 HZ1 LYS 72 HZ1 LYS 72 195.830 -8.231 -11.029 531 HZ2 LYS 72 HZ2 LYS 72 195.569 -9.142 -12.430 532 HZ3 LYS 72 HZ3 LYS 72 195.662 -9.913 -10.928 533 H LEU 73 H LEU 73 191.819 -5.198 -5.650 534 HA LEU 73 HA LEU 73 191.779 -2.842 -7.337 535 HB2 LEU 73 HB2 LEU 73 192.364 -2.876 -4.392 536 HB3 LEU 73 HB3 LEU 73 191.675 -1.580 -5.353 537 HG LEU 73 HG LEU 73 190.174 -4.152 -5.038 538 HD11 LEU 73 HD11 LEU 73 190.761 -3.546 -2.774 539 HD12 LEU 73 HD12 LEU 73 189.057 -3.198 -3.063 540 HD13 LEU 73 HD13 LEU 73 190.235 -1.886 -3.051 541 HD21 LEU 73 HD21 LEU 73 188.464 -3.011 -5.929 542 HD22 LEU 73 HD22 LEU 73 189.701 -1.874 -6.463 543 HD23 LEU 73 HD23 LEU 73 188.805 -1.566 -4.976 544 H LYS 74 H LYS 74 193.477 -1.162 -7.059 545 HA LYS 74 HA LYS 74 196.116 -2.232 -6.402 546 HB2 LYS 74 HB2 LYS 74 195.274 -1.165 -9.085 547 HB3 LYS 74 HB3 LYS 74 196.949 -1.074 -8.561 548 HG2 LYS 74 HG2 LYS 74 197.237 -3.359 -8.628 549 HG3 LYS 74 HG3 LYS 74 195.510 -3.686 -8.465 550 HD2 LYS 74 HD2 LYS 74 195.687 -4.111 -10.682 551 HD3 LYS 74 HD3 LYS 74 195.493 -2.360 -10.797 552 HE2 LYS 74 HE2 LYS 74 197.496 -2.167 -11.735 553 HE3 LYS 74 HE3 LYS 74 198.249 -2.969 -10.357 554 HZ1 LYS 74 HZ1 LYS 74 198.786 -4.476 -11.917 555 HZ2 LYS 74 HZ2 LYS 74 197.521 -4.044 -12.954 556 HZ3 LYS 74 HZ3 LYS 74 197.223 -5.059 -11.635 557 H LEU 75 H LEU 75 197.654 -0.688 -5.861 558 HA LEU 75 HA LEU 75 196.762 1.567 -4.512 559 HB2 LEU 75 HB2 LEU 75 199.235 0.273 -5.014 560 HB3 LEU 75 HB3 LEU 75 199.464 1.973 -5.371 561 HG LEU 75 HG LEU 75 198.067 1.758 -2.887 562 HD11 LEU 75 HD11 LEU 75 198.850 -0.202 -2.124 563 HD12 LEU 75 HD12 LEU 75 200.343 0.698 -1.865 564 HD13 LEU 75 HD13 LEU 75 200.140 -0.273 -3.323 565 HD21 LEU 75 HD21 LEU 75 200.871 2.629 -3.576 566 HD22 LEU 75 HD22 LEU 75 200.032 2.974 -2.064 567 HD23 LEU 75 HD23 LEU 75 199.431 3.645 -3.579 568 H GLY 76 H GLY 76 196.655 3.729 -4.955 569 HA2 GLY 76 HA2 GLY 76 196.992 5.670 -6.265 570 HA3 GLY 76 HA3 GLY 76 197.376 4.643 -7.637 571 H ASP 77 H ASP 77 195.051 2.934 -7.269 572 HA ASP 77 HA ASP 77 193.255 4.251 -8.931 573 HB2 ASP 77 HB2 ASP 77 193.500 1.753 -8.601 574 HB3 ASP 77 HB3 ASP 77 192.555 1.936 -7.127 575 H LYS 78 H LYS 78 191.139 5.027 -8.572 576 HA LYS 78 HA LYS 78 190.668 5.984 -5.822 577 HB2 LYS 78 HB2 LYS 78 191.173 7.716 -7.607 578 HB3 LYS 78 HB3 LYS 78 189.648 7.267 -8.359 579 HG2 LYS 78 HG2 LYS 78 189.260 9.209 -7.055 580 HG3 LYS 78 HG3 LYS 78 188.510 7.852 -6.213 581 HD2 LYS 78 HD2 LYS 78 189.661 9.215 -4.603 582 HD3 LYS 78 HD3 LYS 78 190.539 7.694 -4.783 583 HE2 LYS 78 HE2 LYS 78 192.342 8.692 -5.724 584 HE3 LYS 78 HE3 LYS 78 191.370 9.905 -6.557 585 HZ1 LYS 78 HZ1 LYS 78 192.174 9.902 -3.701 586 HZ2 LYS 78 HZ2 LYS 78 191.047 10.982 -4.354 587 HZ3 LYS 78 HZ3 LYS 78 192.648 10.998 -4.901 588 H ILE 79 H ILE 79 188.472 6.110 -5.114 589 HA ILE 79 HA ILE 79 186.753 4.144 -6.457 590 HB ILE 79 HB ILE 79 187.385 4.581 -3.638 591 HG12 ILE 79 HG12 ILE 79 186.622 2.178 -3.576 592 HG13 ILE 79 HG13 ILE 79 186.259 2.319 -5.293 593 HG21 ILE 79 HG21 ILE 79 185.148 5.497 -3.537 594 HG22 ILE 79 HG22 ILE 79 185.155 3.886 -2.818 595 HG23 ILE 79 HG23 ILE 79 184.515 4.123 -4.443 596 HD11 ILE 79 HD11 ILE 79 188.450 1.261 -4.762 597 HD12 ILE 79 HD12 ILE 79 188.982 2.816 -4.123 598 HD13 ILE 79 HD13 ILE 79 188.548 2.663 -5.826 599 H TYR 80 H TYR 80 184.580 4.497 -6.738 600 HA TYR 80 HA TYR 80 183.444 7.090 -6.028 601 HB2 TYR 80 HB2 TYR 80 183.598 6.046 -8.869 602 HB3 TYR 80 HB3 TYR 80 182.563 7.377 -8.362 603 HD1 TYR 80 HD1 TYR 80 183.578 9.508 -7.595 604 HD2 TYR 80 HD2 TYR 80 185.936 6.364 -9.224 605 HE1 TYR 80 HE1 TYR 80 185.429 11.089 -7.950 606 HE2 TYR 80 HE2 TYR 80 187.794 7.935 -9.583 607 HH TYR 80 HH TYR 80 188.150 10.336 -9.852 608 H PHE 81 H PHE 81 181.459 6.686 -5.140 609 HA PHE 81 HA PHE 81 179.775 4.637 -6.327 610 HB2 PHE 81 HB2 PHE 81 179.523 3.426 -4.145 611 HB3 PHE 81 HB3 PHE 81 181.080 3.230 -4.915 612 HD1 PHE 81 HD1 PHE 81 182.856 5.113 -4.141 613 HD2 PHE 81 HD2 PHE 81 179.488 3.785 -1.904 614 HE1 PHE 81 HE1 PHE 81 183.927 5.895 -2.068 615 HE2 PHE 81 HE2 PHE 81 180.555 4.562 0.170 616 HZ PHE 81 HZ PHE 81 182.776 5.621 0.089 617 H TRP 82 H TRP 82 177.963 4.140 -4.631 618 HA TRP 82 HA TRP 82 177.007 6.416 -3.144 619 HB2 TRP 82 HB2 TRP 82 174.898 6.659 -4.364 620 HB3 TRP 82 HB3 TRP 82 176.261 7.013 -5.418 621 HD1 TRP 82 HD1 TRP 82 176.742 5.304 -7.416 622 HE1 TRP 82 HE1 TRP 82 175.253 3.557 -8.568 623 HE3 TRP 82 HE3 TRP 82 173.036 4.966 -3.914 624 HZ2 TRP 82 HZ2 TRP 82 172.822 2.209 -8.064 625 HZ3 TRP 82 HZ3 TRP 82 171.163 3.424 -4.326 626 HH2 TRP 82 HH2 TRP 82 171.060 2.075 -6.358 627 H THR 83 H THR 83 175.831 5.697 -1.432 628 HA THR 83 HA THR 83 175.074 2.840 -1.499 629 HB THR 83 HB THR 83 175.228 2.918 0.972 630 HG1 THR 83 HG1 THR 83 175.336 4.773 1.906 631 HG21 THR 83 HG21 THR 83 177.416 2.475 1.012 632 HG22 THR 83 HG22 THR 83 177.848 4.021 0.278 633 HG23 THR 83 HG23 THR 83 177.308 2.683 -0.736 634 H TYR 84 H TYR 84 173.087 2.191 -0.529 635 HA TYR 84 HA TYR 84 171.173 4.363 -0.038 636 HB2 TYR 84 HB2 TYR 84 170.922 3.603 -2.370 637 HB3 TYR 84 HB3 TYR 84 170.674 1.957 -1.799 638 HD1 TYR 84 HD1 TYR 84 169.280 5.195 -0.575 639 HD2 TYR 84 HD2 TYR 84 168.482 1.396 -2.312 640 HE1 TYR 84 HE1 TYR 84 166.867 5.634 -0.408 641 HE2 TYR 84 HE2 TYR 84 166.066 1.823 -2.150 642 HH TYR 84 HH TYR 84 164.768 4.844 -1.577 643 H VAL 85 H VAL 85 169.968 4.049 1.739 644 HA VAL 85 HA VAL 85 169.936 1.340 2.894 645 HB VAL 85 HB VAL 85 170.741 2.219 4.776 646 HG11 VAL 85 HG11 VAL 85 170.350 4.901 3.474 647 HG12 VAL 85 HG12 VAL 85 171.838 3.962 3.595 648 HG13 VAL 85 HG13 VAL 85 171.124 4.677 5.042 649 HG21 VAL 85 HG21 VAL 85 168.227 3.886 4.807 650 HG22 VAL 85 HG22 VAL 85 169.343 3.732 6.162 651 HG23 VAL 85 HG23 VAL 85 168.478 2.315 5.570 652 H ILE 86 H ILE 86 167.984 0.879 4.268 653 HA ILE 86 HA ILE 86 165.577 2.311 3.383 654 HB ILE 86 HB ILE 86 165.731 -0.701 3.439 655 HG12 ILE 86 HG12 ILE 86 167.070 0.281 1.603 656 HG13 ILE 86 HG13 ILE 86 165.688 -0.652 1.036 657 HG21 ILE 86 HG21 ILE 86 163.583 1.096 2.330 658 HG22 ILE 86 HG22 ILE 86 163.532 0.371 3.937 659 HG23 ILE 86 HG23 ILE 86 163.532 -0.659 2.504 660 HD11 ILE 86 HD11 ILE 86 164.718 1.919 1.241 661 HD12 ILE 86 HD12 ILE 86 165.190 1.074 -0.233 662 HD13 ILE 86 HD13 ILE 86 166.348 2.111 0.598 663 H LYS 87 H LYS 87 164.849 3.095 5.240 664 HA LYS 87 HA LYS 87 164.909 1.426 7.646 665 HB2 LYS 87 HB2 LYS 87 165.762 3.885 7.519 666 HB3 LYS 87 HB3 LYS 87 164.058 4.305 7.592 667 HG2 LYS 87 HG2 LYS 87 164.212 2.585 9.661 668 HG3 LYS 87 HG3 LYS 87 165.842 3.261 9.683 669 HD2 LYS 87 HD2 LYS 87 165.105 5.380 10.171 670 HD3 LYS 87 HD3 LYS 87 163.530 5.119 9.419 671 HE2 LYS 87 HE2 LYS 87 163.383 3.333 11.419 672 HE3 LYS 87 HE3 LYS 87 164.454 4.521 12.161 673 HZ1 LYS 87 HZ1 LYS 87 162.098 4.949 12.620 674 HZ2 LYS 87 HZ2 LYS 87 161.806 5.138 10.965 675 HZ3 LYS 87 HZ3 LYS 87 162.819 6.226 11.774 676 H ASP 88 H ASP 88 163.136 0.338 6.109 677 HA ASP 88 HA ASP 88 160.974 -0.372 6.034 678 HB2 ASP 88 HB2 ASP 88 161.212 0.436 8.585 679 HB3 ASP 88 HB3 ASP 88 160.005 1.597 8.039 680 H GLY 89 H GLY 89 161.249 0.848 3.934 681 HA2 GLY 89 HA2 GLY 89 160.167 2.049 2.294 682 HA3 GLY 89 HA3 GLY 89 158.903 2.399 3.465 683 H LEU 90 H LEU 90 162.203 3.197 4.180 684 HA LEU 90 HA LEU 90 161.839 5.981 3.364 685 HB2 LEU 90 HB2 LEU 90 162.775 5.402 6.154 686 HB3 LEU 90 HB3 LEU 90 162.163 6.906 5.486 687 HG LEU 90 HG LEU 90 160.449 4.465 5.864 688 HD11 LEU 90 HD11 LEU 90 159.969 5.026 7.998 689 HD12 LEU 90 HD12 LEU 90 160.140 6.755 7.695 690 HD13 LEU 90 HD13 LEU 90 161.573 5.759 7.944 691 HD21 LEU 90 HD21 LEU 90 159.371 7.216 5.838 692 HD22 LEU 90 HD22 LEU 90 158.708 5.727 5.165 693 HD23 LEU 90 HD23 LEU 90 159.987 6.590 4.307 694 H GLY 91 H GLY 91 163.439 5.071 1.864 695 HA2 GLY 91 HA2 GLY 91 166.026 4.508 2.951 696 HA3 GLY 91 HA3 GLY 91 165.578 4.399 1.268 697 H TYR 92 H TYR 92 167.953 5.420 2.120 698 HA TYR 92 HA TYR 92 167.898 8.068 0.947 699 HB2 TYR 92 HB2 TYR 92 169.397 7.772 3.539 700 HB3 TYR 92 HB3 TYR 92 168.896 9.246 2.716 701 HD1 TYR 92 HD1 TYR 92 166.549 10.008 2.861 702 HD2 TYR 92 HD2 TYR 92 167.937 6.644 5.065 703 HE1 TYR 92 HE1 TYR 92 164.564 10.142 4.305 704 HE2 TYR 92 HE2 TYR 92 165.956 6.768 6.515 705 HH TYR 92 HH TYR 92 163.718 7.649 6.506 706 H ARG 93 H ARG 93 169.960 8.564 -0.042 707 HA ARG 93 HA ARG 93 171.869 6.345 0.173 708 HB2 ARG 93 HB2 ARG 93 172.401 6.599 -2.198 709 HB3 ARG 93 HB3 ARG 93 170.699 6.202 -1.949 710 HG2 ARG 93 HG2 ARG 93 171.000 9.043 -1.994 711 HG3 ARG 93 HG3 ARG 93 171.793 8.347 -3.408 712 HD2 ARG 93 HD2 ARG 93 169.688 8.518 -4.245 713 HD3 ARG 93 HD3 ARG 93 169.541 6.934 -3.485 714 HE ARG 93 HE ARG 93 168.081 7.831 -1.966 715 HH11 ARG 93 HH11 ARG 93 169.725 10.423 -3.626 716 HH12 ARG 93 HH12 ARG 93 168.717 11.661 -2.954 717 HH21 ARG 93 HH21 ARG 93 166.754 9.457 -1.081 718 HH22 ARG 93 HH22 ARG 93 167.031 11.113 -1.510 719 H GLN 94 H GLN 94 174.020 6.732 -0.128 720 HA GLN 94 HA GLN 94 174.850 9.512 0.322 721 HB2 GLN 94 HB2 GLN 94 175.417 7.788 2.082 722 HB3 GLN 94 HB3 GLN 94 176.433 6.996 0.885 723 HG2 GLN 94 HG2 GLN 94 177.449 9.447 0.711 724 HG3 GLN 94 HG3 GLN 94 176.858 9.515 2.371 725 HE21 GLN 94 HE21 GLN 94 179.508 9.740 1.927 726 HE22 GLN 94 HE22 GLN 94 180.334 8.315 2.449 727 H ASP 95 H ASP 95 174.499 9.683 -2.040 728 HA ASP 95 HA ASP 95 176.276 8.282 -3.796 729 HB2 ASP 95 HB2 ASP 95 175.359 9.825 -5.529 730 HB3 ASP 95 HB3 ASP 95 174.124 8.943 -4.637 731 H ASN 96 H ASN 96 177.464 9.729 -5.479 732 HA ASN 96 HA ASN 96 179.270 11.028 -5.924 733 HB2 ASN 96 HB2 ASN 96 177.730 12.863 -5.411 734 HB3 ASN 96 HB3 ASN 96 178.122 12.725 -3.702 735 HD21 ASN 96 HD21 ASN 96 179.929 12.926 -6.752 736 HD22 ASN 96 HD22 ASN 96 181.007 14.170 -6.229 737 H GLY 97 H GLY 97 179.218 8.964 -3.636 738 HA2 GLY 97 HA2 GLY 97 181.149 9.871 -1.740 739 HA3 GLY 97 HA3 GLY 97 180.652 8.206 -1.993 740 H GLU 98 H GLU 98 183.270 8.888 -1.453 741 HA GLU 98 HA GLU 98 184.555 7.809 -3.809 742 HB2 GLU 98 HB2 GLU 98 184.551 10.574 -3.461 743 HB3 GLU 98 HB3 GLU 98 186.122 10.072 -2.855 744 HG2 GLU 98 HG2 GLU 98 186.686 9.062 -4.936 745 HG3 GLU 98 HG3 GLU 98 185.046 9.278 -5.547 746 H TRP 99 H TRP 99 186.702 7.028 -3.398 747 HA TRP 99 HA TRP 99 187.752 7.138 -0.718 748 HB2 TRP 99 HB2 TRP 99 186.115 5.356 -0.443 749 HB3 TRP 99 HB3 TRP 99 186.768 4.510 -1.839 750 HD1 TRP 99 HD1 TRP 99 188.032 5.679 1.645 751 HE1 TRP 99 HE1 TRP 99 189.698 3.911 2.499 752 HE3 TRP 99 HE3 TRP 99 188.049 2.569 -2.394 753 HZ2 TRP 99 HZ2 TRP 99 190.867 1.514 1.566 754 HZ3 TRP 99 HZ3 TRP 99 189.460 0.560 -2.343 755 HH2 TRP 99 HH2 TRP 99 190.836 0.046 -0.401 756 H THR 100 H THR 100 189.841 5.887 -0.561 757 HA THR 100 HA THR 100 191.240 6.086 -3.141 758 HB THR 100 HB THR 100 191.883 7.561 -1.170 759 HG1 THR 100 HG1 THR 100 193.275 6.945 -3.000 760 HG21 THR 100 HG21 THR 100 192.437 6.692 0.787 761 HG22 THR 100 HG22 THR 100 193.718 5.753 0.023 762 HG23 THR 100 HG23 THR 100 192.097 5.073 0.172 763 H VAL 101 H VAL 101 193.031 4.664 -3.545 764 HA VAL 101 HA VAL 101 192.766 2.019 -2.263 765 HB VAL 101 HB VAL 101 193.610 2.454 -5.130 766 HG11 VAL 101 HG11 VAL 101 192.930 -0.027 -5.179 767 HG12 VAL 101 HG12 VAL 101 193.032 0.059 -3.420 768 HG13 VAL 101 HG13 VAL 101 194.453 0.407 -4.403 769 HG21 VAL 101 HG21 VAL 101 191.094 1.151 -4.986 770 HG22 VAL 101 HG22 VAL 101 191.472 2.713 -5.707 771 HG23 VAL 101 HG23 VAL 101 190.982 2.620 -4.016 772 H THR 102 H THR 102 194.714 4.647 -2.582 773 HA THR 102 HA THR 102 197.253 3.533 -3.113 774 HB THR 102 HB THR 102 197.130 5.878 -1.322 775 HG1 THR 102 HG1 THR 102 196.176 7.194 -2.809 776 HG21 THR 102 HG21 THR 102 198.513 6.875 -3.134 777 HG22 THR 102 HG22 THR 102 198.428 5.327 -3.974 778 HG23 THR 102 HG23 THR 102 199.203 5.431 -2.393 779 H GLU 103 H GLU 103 195.238 3.121 -0.444 780 HA GLU 103 HA GLU 103 197.524 2.187 1.150 781 HB2 GLU 103 HB2 GLU 103 196.396 2.945 3.196 782 HB3 GLU 103 HB3 GLU 103 196.759 4.288 2.121 783 HG2 GLU 103 HG2 GLU 103 194.572 4.716 1.684 784 HG3 GLU 103 HG3 GLU 103 194.086 3.033 1.886 785 H PHE 104 H PHE 104 197.123 0.389 2.498 786 HA PHE 104 HA PHE 104 194.574 -0.999 2.010 787 HB2 PHE 104 HB2 PHE 104 197.365 -2.152 1.867 788 HB3 PHE 104 HB3 PHE 104 195.919 -3.146 1.994 789 HD1 PHE 104 HD1 PHE 104 197.164 -0.298 -0.083 790 HD2 PHE 104 HD2 PHE 104 195.113 -4.025 0.042 791 HE1 PHE 104 HE1 PHE 104 196.913 -0.238 -2.530 792 HE2 PHE 104 HE2 PHE 104 194.860 -3.973 -2.405 793 HZ PHE 104 HZ PHE 104 195.762 -2.078 -3.698 794 H VAL 105 H VAL 105 193.757 -2.168 3.748 795 HA VAL 105 HA VAL 105 195.071 -1.581 6.293 796 HB VAL 105 HB VAL 105 192.980 -1.978 7.395 797 HG11 VAL 105 HG11 VAL 105 191.541 -0.305 6.290 798 HG12 VAL 105 HG12 VAL 105 192.586 -0.373 4.871 799 HG13 VAL 105 HG13 VAL 105 193.224 0.212 6.407 800 HG21 VAL 105 HG21 VAL 105 190.966 -2.685 6.191 801 HG22 VAL 105 HG22 VAL 105 192.231 -3.910 6.090 802 HG23 VAL 105 HG23 VAL 105 191.906 -2.861 4.710 803 H ASN 106 H ASN 106 194.960 -3.208 7.988 804 HA ASN 106 HA ASN 106 195.945 -5.749 7.011 805 HB2 ASN 106 HB2 ASN 106 196.075 -4.193 9.504 806 HB3 ASN 106 HB3 ASN 106 196.002 -5.938 9.725 807 HD21 ASN 106 HD21 ASN 106 198.081 -3.572 9.738 808 HD22 ASN 106 HD22 ASN 106 199.466 -4.315 9.025 809 H GLU 107 H GLU 107 195.183 -7.780 7.668 810 HA GLU 107 HA GLU 107 192.414 -8.138 7.607 811 HB2 GLU 107 HB2 GLU 107 192.881 -10.443 8.403 812 HB3 GLU 107 HB3 GLU 107 193.929 -9.964 7.074 813 HG2 GLU 107 HG2 GLU 107 195.792 -10.054 8.331 814 HG3 GLU 107 HG3 GLU 107 194.979 -9.450 9.775 815 H ASP 108 H ASP 108 194.513 -7.122 10.080 816 HA ASP 108 HA ASP 108 192.999 -7.955 12.349 817 HB2 ASP 108 HB2 ASP 108 195.483 -6.762 11.929 818 HB3 ASP 108 HB3 ASP 108 194.545 -5.518 12.749 819 H GLY 109 H GLY 109 192.923 -5.214 10.163 820 HA2 GLY 109 HA2 GLY 109 190.695 -4.191 9.924 821 HA3 GLY 109 HA3 GLY 109 190.594 -4.197 11.676 822 H THR 110 H THR 110 193.661 -3.365 10.317 823 HA THR 110 HA THR 110 193.013 -0.517 10.432 824 HB THR 110 HB THR 110 194.661 0.082 11.948 825 HG1 THR 110 HG1 THR 110 195.705 -2.537 11.651 826 HG21 THR 110 HG21 THR 110 194.296 -1.133 13.970 827 HG22 THR 110 HG22 THR 110 193.740 -2.548 13.077 828 HG23 THR 110 HG23 THR 110 192.778 -1.070 13.074 829 HA PRO 111 HA PRO 111 195.434 0.174 6.928 830 HB2 PRO 111 HB2 PRO 111 196.993 2.164 8.507 831 HB3 PRO 111 HB3 PRO 111 196.154 2.360 6.964 832 HG2 PRO 111 HG2 PRO 111 195.115 3.335 9.220 833 HG3 PRO 111 HG3 PRO 111 194.081 2.614 7.973 834 HD2 PRO 111 HD2 PRO 111 194.951 1.487 10.594 835 HD3 PRO 111 HD3 PRO 111 193.422 1.277 9.737 836 H ALA 112 H ALA 112 196.974 -1.039 6.121 837 HA ALA 112 HA ALA 112 199.339 -1.626 7.763 838 HB1 ALA 112 HB1 ALA 112 197.617 -3.482 6.959 839 HB2 ALA 112 HB2 ALA 112 199.348 -3.798 7.073 840 HB3 ALA 112 HB3 ALA 112 198.622 -3.417 5.511 841 H ASP 113 H ASP 113 199.253 0.685 6.306 842 HA ASP 113 HA ASP 113 201.221 0.130 4.186 843 HB2 ASP 113 HB2 ASP 113 198.902 0.868 3.372 844 HB3 ASP 113 HB3 ASP 113 199.290 2.441 4.061 845 H THR 114 H THR 114 203.063 0.663 5.238 846 HA THR 114 HA THR 114 203.190 3.338 6.468 847 HB THR 114 HB THR 114 203.555 1.617 8.127 848 HG1 THR 114 HG1 THR 114 205.529 2.307 8.863 849 HG21 THR 114 HG21 THR 114 204.356 -0.343 7.444 850 HG22 THR 114 HG22 THR 114 205.943 0.407 7.615 851 HG23 THR 114 HG23 THR 114 205.153 0.366 6.039 852 H SER 115 H SER 115 203.473 3.132 3.737 853 HA SER 115 HA SER 115 204.826 3.763 2.023 854 HB2 SER 115 HB2 SER 115 206.470 4.726 4.364 855 HB3 SER 115 HB3 SER 115 206.957 4.999 2.692 856 HG SER 115 HG SER 115 205.238 6.299 2.386 857 H LEU 116 H LEU 116 204.896 1.154 2.313 858 HA LEU 116 HA LEU 116 207.701 0.479 1.803 859 HB2 LEU 116 HB2 LEU 116 205.931 -0.676 3.880 860 HB3 LEU 116 HB3 LEU 116 206.905 -1.812 2.966 861 HG LEU 116 HG LEU 116 208.601 0.328 3.778 862 HD11 LEU 116 HD11 LEU 116 206.839 -0.774 5.951 863 HD12 LEU 116 HD12 LEU 116 207.130 0.915 5.536 864 HD13 LEU 116 HD13 LEU 116 208.417 -0.050 6.259 865 HD21 LEU 116 HD21 LEU 116 209.947 -1.381 4.563 866 HD22 LEU 116 HD22 LEU 116 208.984 -2.199 3.332 867 HD23 LEU 116 HD23 LEU 116 208.576 -2.384 5.037 868 H GLU 117 H GLU 117 206.959 0.613 -0.409 869 HA GLU 117 HA GLU 117 205.032 -1.360 -1.306 870 HB2 GLU 117 HB2 GLU 117 205.604 1.110 -2.213 871 HB3 GLU 117 HB3 GLU 117 206.636 0.164 -3.277 872 HG2 GLU 117 HG2 GLU 117 204.871 -0.846 -4.324 873 HG3 GLU 117 HG3 GLU 117 203.800 -0.661 -2.935 874 HA PRO 118 HA PRO 118 208.291 -4.471 -1.624 875 HB2 PRO 118 HB2 PRO 118 206.141 -5.743 -3.251 876 HB3 PRO 118 HB3 PRO 118 207.119 -6.426 -1.947 877 HG2 PRO 118 HG2 PRO 118 204.587 -5.735 -1.517 878 HG3 PRO 118 HG3 PRO 118 205.830 -5.445 -0.286 879 HD2 PRO 118 HD2 PRO 118 204.510 -3.516 -2.142 880 HD3 PRO 118 HD3 PRO 118 205.049 -3.284 -0.467 Start of MODEL 2 1 H GLN 6 H GLN 6 161.235 12.157 6.916 2 HA GLN 6 HA GLN 6 162.863 11.138 5.686 3 HB2 GLN 6 HB2 GLN 6 162.633 14.095 5.480 4 HB3 GLN 6 HB3 GLN 6 163.876 13.324 4.504 5 HG2 GLN 6 HG2 GLN 6 161.689 11.746 4.033 6 HG3 GLN 6 HG3 GLN 6 160.982 13.355 4.177 7 HE21 GLN 6 HE21 GLN 6 162.415 11.188 2.114 8 HE22 GLN 6 HE22 GLN 6 162.842 12.267 0.834 9 H TYR 7 H TYR 7 164.385 10.167 7.120 10 HA TYR 7 HA TYR 7 166.565 11.566 8.255 11 HB2 TYR 7 HB2 TYR 7 165.765 9.352 9.024 12 HB3 TYR 7 HB3 TYR 7 166.397 8.625 7.560 13 HD1 TYR 7 HD1 TYR 7 167.596 10.871 10.305 14 HD2 TYR 7 HD2 TYR 7 168.419 7.549 7.779 15 HE1 TYR 7 HE1 TYR 7 169.759 10.558 11.432 16 HE2 TYR 7 HE2 TYR 7 170.583 7.226 8.899 17 HH TYR 7 HH TYR 7 172.218 9.023 10.298 18 H VAL 8 H VAL 8 168.871 10.736 7.701 19 HA VAL 8 HA VAL 8 169.252 11.080 4.799 20 HB VAL 8 HB VAL 8 171.233 11.838 6.938 21 HG11 VAL 8 HG11 VAL 8 171.050 12.369 3.982 22 HG12 VAL 8 HG12 VAL 8 172.308 11.491 4.851 23 HG13 VAL 8 HG13 VAL 8 172.148 13.235 5.057 24 HG21 VAL 8 HG21 VAL 8 170.476 14.218 6.178 25 HG22 VAL 8 HG22 VAL 8 169.549 13.344 7.398 26 HG23 VAL 8 HG23 VAL 8 168.986 13.388 5.727 27 H VAL 9 H VAL 9 171.170 10.092 3.877 28 HA VAL 9 HA VAL 9 171.469 7.377 4.705 29 HB VAL 9 HB VAL 9 171.533 7.963 2.343 30 HG11 VAL 9 HG11 VAL 9 174.093 8.998 1.932 31 HG12 VAL 9 HG12 VAL 9 173.412 9.946 3.253 32 HG13 VAL 9 HG13 VAL 9 172.555 9.832 1.717 33 HG21 VAL 9 HG21 VAL 9 172.658 5.940 2.866 34 HG22 VAL 9 HG22 VAL 9 174.085 6.801 3.442 35 HG23 VAL 9 HG23 VAL 9 173.685 6.805 1.725 36 HA PRO 10 HA PRO 10 174.875 7.878 7.513 37 HB2 PRO 10 HB2 PRO 10 175.888 5.353 7.403 38 HB3 PRO 10 HB3 PRO 10 174.427 5.772 8.300 39 HG2 PRO 10 HG2 PRO 10 174.695 4.562 5.575 40 HG3 PRO 10 HG3 PRO 10 173.587 4.124 6.888 41 HD2 PRO 10 HD2 PRO 10 172.797 5.622 4.799 42 HD3 PRO 10 HD3 PRO 10 172.151 5.879 6.432 43 H SER 11 H SER 11 177.287 6.754 7.490 44 HA SER 11 HA SER 11 178.477 7.705 4.983 45 HB2 SER 11 HB2 SER 11 178.986 8.867 7.214 46 HB3 SER 11 HB3 SER 11 179.931 7.430 7.600 47 HG SER 11 HG SER 11 180.780 9.479 6.294 48 H ALA 12 H ALA 12 179.145 6.155 3.671 49 HA ALA 12 HA ALA 12 179.704 3.505 4.676 50 HB1 ALA 12 HB1 ALA 12 178.713 4.479 2.305 51 HB2 ALA 12 HB2 ALA 12 179.229 2.819 2.607 52 HB3 ALA 12 HB3 ALA 12 180.347 3.972 1.878 53 H LYS 13 H LYS 13 181.581 3.254 5.701 54 HA LYS 13 HA LYS 13 183.975 4.636 4.842 55 HB2 LYS 13 HB2 LYS 13 183.077 3.326 7.221 56 HB3 LYS 13 HB3 LYS 13 184.583 2.574 6.714 57 HG2 LYS 13 HG2 LYS 13 185.025 5.312 6.455 58 HG3 LYS 13 HG3 LYS 13 184.132 5.129 7.966 59 HD2 LYS 13 HD2 LYS 13 185.761 3.680 8.868 60 HD3 LYS 13 HD3 LYS 13 186.520 3.429 7.296 61 HE2 LYS 13 HE2 LYS 13 186.705 6.134 7.582 62 HE3 LYS 13 HE3 LYS 13 186.882 5.586 9.248 63 HZ1 LYS 13 HZ1 LYS 13 188.605 3.999 8.350 64 HZ2 LYS 13 HZ2 LYS 13 189.034 5.634 8.349 65 HZ3 LYS 13 HZ3 LYS 13 188.559 4.886 6.910 66 H LEU 14 H LEU 14 185.982 3.439 4.304 67 HA LEU 14 HA LEU 14 185.608 0.727 3.331 68 HB2 LEU 14 HB2 LEU 14 186.787 2.585 1.342 69 HB3 LEU 14 HB3 LEU 14 185.893 1.098 1.094 70 HG LEU 14 HG LEU 14 183.829 2.425 1.856 71 HD11 LEU 14 HD11 LEU 14 184.298 4.462 2.644 72 HD12 LEU 14 HD12 LEU 14 184.473 4.929 0.953 73 HD13 LEU 14 HD13 LEU 14 185.895 4.486 1.897 74 HD21 LEU 14 HD21 LEU 14 184.771 3.594 -0.681 75 HD22 LEU 14 HD22 LEU 14 183.297 2.693 -0.320 76 HD23 LEU 14 HD23 LEU 14 184.817 1.835 -0.574 77 H GLU 15 H GLU 15 187.515 -0.391 2.886 78 HA GLU 15 HA GLU 15 190.062 0.934 3.369 79 HB2 GLU 15 HB2 GLU 15 188.765 -0.967 5.220 80 HB3 GLU 15 HB3 GLU 15 190.452 -1.307 4.855 81 HG2 GLU 15 HG2 GLU 15 191.124 0.279 6.238 82 HG3 GLU 15 HG3 GLU 15 190.138 1.480 5.406 83 H ALA 16 H ALA 16 191.788 -0.075 2.323 84 HA ALA 16 HA ALA 16 191.005 -2.054 0.344 85 HB1 ALA 16 HB1 ALA 16 192.690 -1.262 -0.902 86 HB2 ALA 16 HB2 ALA 16 193.830 -1.293 0.445 87 HB3 ALA 16 HB3 ALA 16 192.718 0.062 0.263 88 H ILE 17 H ILE 17 191.081 -4.136 0.759 89 HA ILE 17 HA ILE 17 192.765 -5.177 2.883 90 HB ILE 17 HB ILE 17 190.934 -6.766 1.093 91 HG12 ILE 17 HG12 ILE 17 189.696 -4.880 2.120 92 HG13 ILE 17 HG13 ILE 17 189.167 -6.443 2.735 93 HG21 ILE 17 HG21 ILE 17 192.488 -7.282 3.540 94 HG22 ILE 17 HG22 ILE 17 191.990 -8.382 2.254 95 HG23 ILE 17 HG23 ILE 17 190.849 -7.933 3.522 96 HD11 ILE 17 HD11 ILE 17 191.288 -5.229 4.322 97 HD12 ILE 17 HD12 ILE 17 189.751 -5.938 4.823 98 HD13 ILE 17 HD13 ILE 17 189.809 -4.270 4.252 99 H TYR 18 H TYR 18 194.635 -6.216 2.599 100 HA TYR 18 HA TYR 18 195.603 -6.618 -0.124 101 HB2 TYR 18 HB2 TYR 18 196.926 -5.430 1.740 102 HB3 TYR 18 HB3 TYR 18 197.191 -7.039 2.402 103 HD1 TYR 18 HD1 TYR 18 197.817 -4.872 -0.528 104 HD2 TYR 18 HD2 TYR 18 198.810 -8.498 1.463 105 HE1 TYR 18 HE1 TYR 18 199.737 -5.167 -2.036 106 HE2 TYR 18 HE2 TYR 18 200.734 -8.802 -0.039 107 HH TYR 18 HH TYR 18 201.844 -6.322 -2.133 108 HA PRO 19 HA PRO 19 196.876 -7.611 -1.233 109 HB2 PRO 19 HB2 PRO 19 197.264 -9.625 -3.031 110 HB3 PRO 19 HB3 PRO 19 198.359 -9.289 -1.688 111 HG2 PRO 19 HG2 PRO 19 196.608 -11.564 -2.075 112 HG3 PRO 19 HG3 PRO 19 197.844 -11.316 -0.835 113 HD2 PRO 19 HD2 PRO 19 194.938 -10.952 -0.667 114 HD3 PRO 19 HD3 PRO 19 196.130 -11.091 0.638 115 H ARG 20 H ARG 20 193.885 -8.964 -1.060 116 HA ARG 20 HA ARG 20 192.870 -7.462 -3.209 117 HB2 ARG 20 HB2 ARG 20 191.921 -9.397 -4.498 118 HB3 ARG 20 HB3 ARG 20 193.664 -9.208 -4.629 119 HG2 ARG 20 HG2 ARG 20 192.937 -10.948 -2.434 120 HG3 ARG 20 HG3 ARG 20 192.285 -11.518 -3.972 121 HD2 ARG 20 HD2 ARG 20 195.022 -10.619 -4.245 122 HD3 ARG 20 HD3 ARG 20 194.875 -11.869 -3.011 123 HE ARG 20 HE ARG 20 193.469 -12.895 -5.070 124 HH11 ARG 20 HH11 ARG 20 196.680 -11.545 -4.839 125 HH12 ARG 20 HH12 ARG 20 197.320 -12.528 -6.112 126 HH21 ARG 20 HH21 ARG 20 194.312 -14.190 -6.744 127 HH22 ARG 20 HH22 ARG 20 195.977 -14.030 -7.193 128 H GLY 21 H GLY 21 191.395 -6.627 -1.819 129 HA2 GLY 21 HA2 GLY 21 189.011 -8.070 -1.363 130 HA3 GLY 21 HA3 GLY 21 189.935 -7.995 0.121 131 H LEU 22 H LEU 22 187.602 -6.867 0.363 132 HA LEU 22 HA LEU 22 188.221 -4.036 0.546 133 HB2 LEU 22 HB2 LEU 22 187.213 -3.919 -1.557 134 HB3 LEU 22 HB3 LEU 22 186.040 -5.162 -1.172 135 HG LEU 22 HG LEU 22 184.768 -3.642 0.189 136 HD11 LEU 22 HD11 LEU 22 187.241 -2.190 0.295 137 HD12 LEU 22 HD12 LEU 22 185.789 -2.005 1.281 138 HD13 LEU 22 HD13 LEU 22 185.936 -1.130 -0.244 139 HD21 LEU 22 HD21 LEU 22 185.544 -2.206 -2.344 140 HD22 LEU 22 HD22 LEU 22 184.014 -2.093 -1.476 141 HD23 LEU 22 HD23 LEU 22 184.462 -3.597 -2.280 142 H ARG 23 H ARG 23 187.264 -3.056 2.261 143 HA ARG 23 HA ARG 23 185.217 -4.577 3.736 144 HB2 ARG 23 HB2 ARG 23 187.560 -4.705 4.736 145 HB3 ARG 23 HB3 ARG 23 187.404 -2.987 5.076 146 HG2 ARG 23 HG2 ARG 23 186.238 -3.392 6.913 147 HG3 ARG 23 HG3 ARG 23 185.091 -4.397 6.027 148 HD2 ARG 23 HD2 ARG 23 187.509 -5.861 6.305 149 HD3 ARG 23 HD3 ARG 23 187.095 -5.192 7.882 150 HE ARG 23 HE ARG 23 185.676 -7.236 6.429 151 HH11 ARG 23 HH11 ARG 23 185.471 -4.815 8.938 152 HH12 ARG 23 HH12 ARG 23 184.143 -5.582 9.741 153 HH21 ARG 23 HH21 ARG 23 183.927 -8.244 7.486 154 HH22 ARG 23 HH22 ARG 23 183.267 -7.528 8.919 155 H VAL 24 H VAL 24 183.410 -3.408 3.617 156 HA VAL 24 HA VAL 24 183.616 -0.487 3.957 157 HB VAL 24 HB VAL 24 181.464 -1.951 2.431 158 HG11 VAL 24 HG11 VAL 24 180.661 0.145 1.761 159 HG12 VAL 24 HG12 VAL 24 182.121 0.974 2.298 160 HG13 VAL 24 HG13 VAL 24 180.989 0.326 3.484 161 HG21 VAL 24 HG21 VAL 24 182.633 -0.808 0.446 162 HG22 VAL 24 HG22 VAL 24 183.354 -2.274 1.110 163 HG23 VAL 24 HG23 VAL 24 184.027 -0.696 1.520 164 H SER 25 H SER 25 182.093 0.556 5.247 165 HA SER 25 HA SER 25 180.069 -1.030 6.611 166 HB2 SER 25 HB2 SER 25 181.843 0.616 8.367 167 HB3 SER 25 HB3 SER 25 180.875 -0.803 8.766 168 HG SER 25 HG SER 25 183.271 -0.775 7.242 169 H ILE 26 H ILE 26 178.443 0.215 7.629 170 HA ILE 26 HA ILE 26 178.530 3.131 7.188 171 HB ILE 26 HB ILE 26 176.095 2.964 6.440 172 HG12 ILE 26 HG12 ILE 26 176.527 0.360 5.208 173 HG13 ILE 26 HG13 ILE 26 176.499 0.268 6.966 174 HG21 ILE 26 HG21 ILE 26 176.751 2.453 4.074 175 HG22 ILE 26 HG22 ILE 26 178.346 2.017 4.685 176 HG23 ILE 26 HG23 ILE 26 177.744 3.663 4.885 177 HD11 ILE 26 HD11 ILE 26 174.297 -0.081 5.860 178 HD12 ILE 26 HD12 ILE 26 174.358 1.601 5.332 179 HD13 ILE 26 HD13 ILE 26 174.320 1.219 7.053 180 HA PRO 27 HA PRO 27 176.927 2.993 11.373 181 HB2 PRO 27 HB2 PRO 27 175.994 5.585 11.436 182 HB3 PRO 27 HB3 PRO 27 177.671 5.123 11.739 183 HG2 PRO 27 HG2 PRO 27 176.418 6.184 9.242 184 HG3 PRO 27 HG3 PRO 27 177.996 6.565 9.956 185 HD2 PRO 27 HD2 PRO 27 177.757 4.901 7.855 186 HD3 PRO 27 HD3 PRO 27 178.980 4.646 9.117 187 H ASP 28 H ASP 28 175.187 1.622 11.208 188 HA ASP 28 HA ASP 28 172.840 2.094 9.751 189 HB2 ASP 28 HB2 ASP 28 173.477 -0.136 10.534 190 HB3 ASP 28 HB3 ASP 28 173.245 0.372 12.202 191 H ASP 29 H ASP 29 170.680 2.394 10.592 192 HA ASP 29 HA ASP 29 170.384 3.784 13.115 193 HB2 ASP 29 HB2 ASP 29 171.006 5.524 11.362 194 HB3 ASP 29 HB3 ASP 29 169.478 5.147 10.572 195 H GLY 30 H GLY 30 169.473 1.319 12.454 196 HA2 GLY 30 HA2 GLY 30 167.580 0.045 12.557 197 HA3 GLY 30 HA3 GLY 30 166.714 1.525 12.911 198 H PHE 31 H PHE 31 168.561 0.623 10.032 199 HA PHE 31 HA PHE 31 166.457 1.545 8.322 200 HB2 PHE 31 HB2 PHE 31 168.999 0.066 7.618 201 HB3 PHE 31 HB3 PHE 31 167.956 0.919 6.483 202 HD1 PHE 31 HD1 PHE 31 167.383 3.397 7.944 203 HD2 PHE 31 HD2 PHE 31 171.009 1.201 7.596 204 HE1 PHE 31 HE1 PHE 31 168.665 5.460 8.342 205 HE2 PHE 31 HE2 PHE 31 172.298 3.256 7.996 206 HZ PHE 31 HZ PHE 31 171.126 5.391 8.369 207 H SER 32 H SER 32 167.635 -0.958 6.636 208 HA SER 32 HA SER 32 166.356 -3.242 7.556 209 HB2 SER 32 HB2 SER 32 164.493 -1.353 6.643 210 HB3 SER 32 HB3 SER 32 164.657 -2.507 5.319 211 HG SER 32 HG SER 32 163.914 -3.012 8.003 212 H LEU 33 H LEU 33 167.321 -1.250 4.807 213 HA LEU 33 HA LEU 33 168.666 -3.631 3.721 214 HB2 LEU 33 HB2 LEU 33 166.426 -3.165 2.521 215 HB3 LEU 33 HB3 LEU 33 167.251 -1.780 1.854 216 HG LEU 33 HG LEU 33 169.051 -3.409 1.064 217 HD11 LEU 33 HD11 LEU 33 167.825 -5.241 2.535 218 HD12 LEU 33 HD12 LEU 33 168.706 -5.645 1.061 219 HD13 LEU 33 HD13 LEU 33 166.949 -5.493 1.024 220 HD21 LEU 33 HD21 LEU 33 166.955 -2.313 -0.186 221 HD22 LEU 33 HD22 LEU 33 166.561 -4.020 -0.400 222 HD23 LEU 33 HD23 LEU 33 168.104 -3.390 -0.984 223 H PHE 34 H PHE 34 170.669 -3.254 3.069 224 HA PHE 34 HA PHE 34 171.483 -0.466 2.610 225 HB2 PHE 34 HB2 PHE 34 172.463 -1.230 4.675 226 HB3 PHE 34 HB3 PHE 34 173.018 -2.712 3.917 227 HD1 PHE 34 HD1 PHE 34 173.260 0.883 2.963 228 HD2 PHE 34 HD2 PHE 34 175.311 -2.747 3.809 229 HE1 PHE 34 HE1 PHE 34 175.396 1.962 2.391 230 HE2 PHE 34 HE2 PHE 34 177.453 -1.676 3.242 231 HZ PHE 34 HZ PHE 34 177.496 0.683 2.530 232 H ALA 35 H ALA 35 171.730 -0.244 0.463 233 HA ALA 35 HA ALA 35 173.020 -2.435 -1.026 234 HB1 ALA 35 HB1 ALA 35 171.741 -0.408 -2.669 235 HB2 ALA 35 HB2 ALA 35 170.621 -1.171 -1.541 236 HB3 ALA 35 HB3 ALA 35 171.540 -2.161 -2.672 237 H PHE 36 H PHE 36 175.044 -2.092 -1.636 238 HA PHE 36 HA PHE 36 175.988 0.687 -1.853 239 HB2 PHE 36 HB2 PHE 36 177.104 -0.639 -0.113 240 HB3 PHE 36 HB3 PHE 36 177.568 -1.836 -1.316 241 HD1 PHE 36 HD1 PHE 36 179.053 -1.041 -3.247 242 HD2 PHE 36 HD2 PHE 36 178.492 1.157 0.354 243 HE1 PHE 36 HE1 PHE 36 181.132 0.203 -3.687 244 HE2 PHE 36 HE2 PHE 36 180.569 2.404 -0.079 245 HZ PHE 36 HZ PHE 36 181.891 1.925 -2.102 246 H HIS 37 H HIS 37 176.657 1.436 -3.759 247 HA HIS 37 HA HIS 37 177.254 -0.474 -5.916 248 HB2 HIS 37 HB2 HIS 37 175.180 1.449 -5.767 249 HB3 HIS 37 HB3 HIS 37 176.364 2.056 -6.906 250 HD1 HIS 37 HD1 HIS 37 173.379 0.314 -7.006 251 HD2 HIS 37 HD2 HIS 37 177.107 -0.430 -8.678 252 HE1 HIS 37 HE1 HIS 37 172.955 -1.270 -8.911 253 HE2 HIS 37 HE2 HIS 37 175.237 -1.778 -9.849 254 H GLY 38 H GLY 38 179.326 -0.207 -6.711 255 HA2 GLY 38 HA2 GLY 38 180.417 2.497 -6.778 256 HA3 GLY 38 HA3 GLY 38 181.234 1.390 -5.694 257 H LYS 39 H LYS 39 181.951 2.836 -8.253 258 HA LYS 39 HA LYS 39 182.870 0.492 -9.776 259 HB2 LYS 39 HB2 LYS 39 181.390 2.418 -10.822 260 HB3 LYS 39 HB3 LYS 39 182.937 3.246 -10.930 261 HG2 LYS 39 HG2 LYS 39 183.843 1.513 -12.309 262 HG3 LYS 39 HG3 LYS 39 182.408 0.514 -12.072 263 HD2 LYS 39 HD2 LYS 39 181.856 3.197 -13.118 264 HD3 LYS 39 HD3 LYS 39 182.828 2.185 -14.188 265 HE2 LYS 39 HE2 LYS 39 180.797 0.516 -13.244 266 HE3 LYS 39 HE3 LYS 39 180.007 2.053 -13.588 267 HZ1 LYS 39 HZ1 LYS 39 181.863 1.105 -15.609 268 HZ2 LYS 39 HZ2 LYS 39 180.349 1.838 -15.787 269 HZ3 LYS 39 HZ3 LYS 39 180.451 0.189 -15.426 270 H LEU 40 H LEU 40 185.018 0.418 -10.473 271 HA LEU 40 HA LEU 40 186.847 1.962 -8.788 272 HB2 LEU 40 HB2 LEU 40 187.019 -0.482 -8.725 273 HB3 LEU 40 HB3 LEU 40 187.321 -0.512 -10.451 274 HG LEU 40 HG LEU 40 189.328 1.108 -9.691 275 HD11 LEU 40 HD11 LEU 40 190.322 0.164 -7.632 276 HD12 LEU 40 HD12 LEU 40 188.821 -0.718 -7.349 277 HD13 LEU 40 HD13 LEU 40 188.823 1.045 -7.341 278 HD21 LEU 40 HD21 LEU 40 189.524 -1.885 -9.463 279 HD22 LEU 40 HD22 LEU 40 190.776 -0.751 -9.965 280 HD23 LEU 40 HD23 LEU 40 189.379 -1.039 -11.003 281 H ASN 41 H ASN 41 187.858 3.656 -9.608 282 HA ASN 41 HA ASN 41 188.859 5.095 -11.055 283 HB2 ASN 41 HB2 ASN 41 189.978 2.697 -11.607 284 HB3 ASN 41 HB3 ASN 41 189.272 3.070 -13.176 285 HD21 ASN 41 HD21 ASN 41 191.610 4.000 -10.787 286 HD22 ASN 41 HD22 ASN 41 192.490 5.105 -11.781 287 H GLU 42 H GLU 42 186.300 5.457 -11.151 288 HA GLU 42 HA GLU 42 185.734 6.551 -13.619 289 HB2 GLU 42 HB2 GLU 42 185.542 4.212 -14.407 290 HB3 GLU 42 HB3 GLU 42 184.274 3.934 -13.219 291 HG2 GLU 42 HG2 GLU 42 182.872 5.594 -14.289 292 HG3 GLU 42 HG3 GLU 42 184.148 5.948 -15.449 293 H GLU 43 H GLU 43 184.723 8.210 -12.805 294 HA GLU 43 HA GLU 43 183.260 8.309 -10.444 295 HB2 GLU 43 HB2 GLU 43 182.899 10.155 -12.803 296 HB3 GLU 43 HB3 GLU 43 182.562 10.512 -11.115 297 HG2 GLU 43 HG2 GLU 43 184.898 10.401 -10.578 298 HG3 GLU 43 HG3 GLU 43 185.279 9.900 -12.217 299 H MET 44 H MET 44 180.927 9.566 -10.863 300 HA MET 44 HA MET 44 179.160 8.310 -12.681 301 HB2 MET 44 HB2 MET 44 177.867 7.294 -10.520 302 HB3 MET 44 HB3 MET 44 178.913 6.352 -11.573 303 HG2 MET 44 HG2 MET 44 180.543 6.165 -10.023 304 HG3 MET 44 HG3 MET 44 180.222 7.752 -9.330 305 HE1 MET 44 HE1 MET 44 177.843 4.549 -9.864 306 HE2 MET 44 HE2 MET 44 178.047 3.827 -8.267 307 HE3 MET 44 HE3 MET 44 179.433 3.987 -9.348 308 H ASP 45 H ASP 45 177.019 9.137 -12.530 309 HA ASP 45 HA ASP 45 176.574 11.206 -10.500 310 HB2 ASP 45 HB2 ASP 45 177.518 12.171 -12.675 311 HB3 ASP 45 HB3 ASP 45 175.981 11.726 -13.410 312 H GLY 46 H GLY 46 175.255 9.221 -9.871 313 HA2 GLY 46 HA2 GLY 46 172.649 9.572 -9.799 314 HA3 GLY 46 HA3 GLY 46 172.848 8.854 -11.388 315 H LEU 47 H LEU 47 171.987 6.864 -11.122 316 HA LEU 47 HA LEU 47 173.141 5.202 -9.009 317 HB2 LEU 47 HB2 LEU 47 170.414 5.050 -10.276 318 HB3 LEU 47 HB3 LEU 47 171.024 4.012 -9.010 319 HG LEU 47 HG LEU 47 170.855 6.982 -8.648 320 HD11 LEU 47 HD11 LEU 47 168.631 5.602 -9.207 321 HD12 LEU 47 HD12 LEU 47 168.667 6.925 -8.041 322 HD13 LEU 47 HD13 LEU 47 168.746 5.254 -7.481 323 HD21 LEU 47 HD21 LEU 47 170.631 4.897 -6.516 324 HD22 LEU 47 HD22 LEU 47 171.203 6.561 -6.406 325 HD23 LEU 47 HD23 LEU 47 172.211 5.331 -7.169 326 H GLU 48 H GLU 48 174.794 4.989 -10.799 327 HA GLU 48 HA GLU 48 174.050 3.313 -13.032 328 HB2 GLU 48 HB2 GLU 48 176.604 4.568 -12.083 329 HB3 GLU 48 HB3 GLU 48 176.646 3.300 -13.302 330 HG2 GLU 48 HG2 GLU 48 174.755 5.515 -13.772 331 HG3 GLU 48 HG3 GLU 48 176.472 5.899 -13.887 332 H ALA 49 H ALA 49 175.026 1.240 -13.454 333 HA ALA 49 HA ALA 49 174.759 -0.557 -11.352 334 HB1 ALA 49 HB1 ALA 49 175.115 -2.209 -12.890 335 HB2 ALA 49 HB2 ALA 49 176.384 -1.310 -13.723 336 HB3 ALA 49 HB3 ALA 49 174.691 -0.872 -13.957 337 H GLY 50 H GLY 50 177.426 1.403 -12.211 338 HA2 GLY 50 HA2 GLY 50 179.662 1.383 -11.628 339 HA3 GLY 50 HA3 GLY 50 178.993 1.006 -10.049 340 H HIS 51 H HIS 51 180.252 -0.508 -9.196 341 HA HIS 51 HA HIS 51 180.733 -2.931 -10.771 342 HB2 HIS 51 HB2 HIS 51 182.774 -1.356 -10.431 343 HB3 HIS 51 HB3 HIS 51 182.761 -1.966 -8.780 344 HD1 HIS 51 HD1 HIS 51 184.268 -2.620 -11.927 345 HD2 HIS 51 HD2 HIS 51 182.799 -4.999 -8.854 346 HE1 HIS 51 HE1 HIS 51 185.339 -4.871 -12.250 347 HE2 HIS 51 HE2 HIS 51 184.503 -6.269 -10.327 348 H TRP 52 H TRP 52 181.322 -1.831 -7.436 349 HA TRP 52 HA TRP 52 180.463 -4.362 -6.382 350 HB2 TRP 52 HB2 TRP 52 181.141 -1.764 -4.980 351 HB3 TRP 52 HB3 TRP 52 180.873 -3.311 -4.180 352 HD1 TRP 52 HD1 TRP 52 182.662 -5.330 -5.010 353 HE1 TRP 52 HE1 TRP 52 185.184 -5.109 -5.445 354 HE3 TRP 52 HE3 TRP 52 182.936 -0.267 -5.660 355 HZ2 TRP 52 HZ2 TRP 52 187.054 -3.059 -5.987 356 HZ3 TRP 52 HZ3 TRP 52 185.128 0.746 -6.134 357 HH2 TRP 52 HH2 TRP 52 187.142 -0.624 -6.293 358 H ALA 53 H ALA 53 178.342 -4.615 -6.993 359 HA ALA 53 HA ALA 53 176.401 -2.752 -5.791 360 HB1 ALA 53 HB1 ALA 53 175.827 -4.509 -8.159 361 HB2 ALA 53 HB2 ALA 53 176.489 -2.881 -8.328 362 HB3 ALA 53 HB3 ALA 53 174.911 -3.120 -7.575 363 H ARG 54 H ARG 54 176.304 -3.909 -3.820 364 HA ARG 54 HA ARG 54 174.855 -6.452 -4.036 365 HB2 ARG 54 HB2 ARG 54 177.162 -6.957 -3.546 366 HB3 ARG 54 HB3 ARG 54 177.171 -5.822 -2.213 367 HG2 ARG 54 HG2 ARG 54 176.570 -7.453 -0.843 368 HG3 ARG 54 HG3 ARG 54 175.056 -7.627 -1.734 369 HD2 ARG 54 HD2 ARG 54 177.479 -8.875 -2.902 370 HD3 ARG 54 HD3 ARG 54 176.804 -9.623 -1.454 371 HE ARG 54 HE ARG 54 174.754 -9.139 -3.329 372 HH11 ARG 54 HH11 ARG 54 177.493 -11.230 -2.784 373 HH12 ARG 54 HH12 ARG 54 176.830 -12.547 -3.694 374 HH21 ARG 54 HH21 ARG 54 173.878 -10.869 -4.527 375 HH22 ARG 54 HH22 ARG 54 174.778 -12.341 -4.684 376 H ASP 55 H ASP 55 173.044 -6.521 -2.893 377 HA ASP 55 HA ASP 55 172.456 -4.382 -0.991 378 HB2 ASP 55 HB2 ASP 55 170.126 -5.440 -1.130 379 HB3 ASP 55 HB3 ASP 55 170.721 -4.615 -2.563 380 H ILE 56 H ILE 56 172.744 -4.739 1.115 381 HA ILE 56 HA ILE 56 172.832 -7.504 2.086 382 HB ILE 56 HB ILE 56 173.656 -5.012 3.574 383 HG12 ILE 56 HG12 ILE 56 175.345 -6.922 1.943 384 HG13 ILE 56 HG13 ILE 56 174.996 -5.245 1.537 385 HG21 ILE 56 HG21 ILE 56 173.660 -6.465 5.276 386 HG22 ILE 56 HG22 ILE 56 175.119 -7.118 4.534 387 HG23 ILE 56 HG23 ILE 56 173.554 -7.862 4.205 388 HD11 ILE 56 HD11 ILE 56 176.536 -6.175 3.948 389 HD12 ILE 56 HD12 ILE 56 176.218 -4.500 3.496 390 HD13 ILE 56 HD13 ILE 56 177.230 -5.514 2.467 391 H THR 57 H THR 57 171.626 -8.202 3.851 392 HA THR 57 HA THR 57 169.507 -6.401 4.801 393 HB THR 57 HB THR 57 167.812 -8.021 4.502 394 HG1 THR 57 HG1 THR 57 168.300 -10.152 3.838 395 HG21 THR 57 HG21 THR 57 167.597 -7.838 2.309 396 HG22 THR 57 HG22 THR 57 168.984 -8.888 2.020 397 HG23 THR 57 HG23 THR 57 169.225 -7.161 2.279 398 H LYS 58 H LYS 58 171.958 -7.091 6.088 399 HA LYS 58 HA LYS 58 170.902 -8.029 8.591 400 HB2 LYS 58 HB2 LYS 58 171.565 -10.097 7.163 401 HB3 LYS 58 HB3 LYS 58 173.217 -9.617 7.531 402 HG2 LYS 58 HG2 LYS 58 172.475 -11.300 9.088 403 HG3 LYS 58 HG3 LYS 58 172.711 -9.766 9.928 404 HD2 LYS 58 HD2 LYS 58 170.000 -10.203 8.882 405 HD3 LYS 58 HD3 LYS 58 170.497 -11.324 10.151 406 HE2 LYS 58 HE2 LYS 58 170.604 -9.696 11.738 407 HE3 LYS 58 HE3 LYS 58 171.071 -8.450 10.582 408 HZ1 LYS 58 HZ1 LYS 58 168.899 -8.057 9.993 409 HZ2 LYS 58 HZ2 LYS 58 168.726 -8.405 11.638 410 HZ3 LYS 58 HZ3 LYS 58 168.357 -9.583 10.482 411 HA PRO 59 HA PRO 59 174.082 -4.733 9.057 412 HB2 PRO 59 HB2 PRO 59 172.721 -4.645 11.695 413 HB3 PRO 59 HB3 PRO 59 173.135 -3.321 10.601 414 HG2 PRO 59 HG2 PRO 59 170.614 -4.161 10.846 415 HG3 PRO 59 HG3 PRO 59 171.263 -3.666 9.274 416 HD2 PRO 59 HD2 PRO 59 170.761 -6.412 10.338 417 HD3 PRO 59 HD3 PRO 59 170.548 -5.782 8.692 418 H LYS 60 H LYS 60 175.636 -4.348 10.865 419 HA LYS 60 HA LYS 60 176.439 -6.913 12.072 420 HB2 LYS 60 HB2 LYS 60 177.942 -5.544 10.376 421 HB3 LYS 60 HB3 LYS 60 178.334 -4.615 11.815 422 HG2 LYS 60 HG2 LYS 60 178.615 -7.232 12.642 423 HG3 LYS 60 HG3 LYS 60 179.238 -7.243 10.991 424 HD2 LYS 60 HD2 LYS 60 181.108 -6.222 11.636 425 HD3 LYS 60 HD3 LYS 60 180.189 -4.916 12.385 426 HE2 LYS 60 HE2 LYS 60 180.194 -5.920 14.459 427 HE3 LYS 60 HE3 LYS 60 180.418 -7.537 13.791 428 HZ1 LYS 60 HZ1 LYS 60 182.512 -7.205 14.507 429 HZ2 LYS 60 HZ2 LYS 60 182.396 -5.518 14.462 430 HZ3 LYS 60 HZ3 LYS 60 182.687 -6.383 13.038 431 H GLU 61 H GLU 61 174.486 -5.131 13.158 432 HA GLU 61 HA GLU 61 173.857 -4.498 15.241 433 HB2 GLU 61 HB2 GLU 61 176.716 -4.731 16.164 434 HB3 GLU 61 HB3 GLU 61 175.264 -4.740 17.155 435 HG2 GLU 61 HG2 GLU 61 174.683 -6.869 15.754 436 HG3 GLU 61 HG3 GLU 61 176.422 -6.902 15.472 437 H GLY 62 H GLY 62 173.312 -2.525 14.450 438 HA2 GLY 62 HA2 GLY 62 173.313 -0.227 14.557 439 HA3 GLY 62 HA3 GLY 62 174.759 -0.320 15.554 440 H ARG 63 H ARG 63 175.506 -2.141 12.954 441 HA ARG 63 HA ARG 63 176.063 -0.024 11.072 442 HB2 ARG 63 HB2 ARG 63 177.858 0.042 12.936 443 HB3 ARG 63 HB3 ARG 63 178.477 -1.421 12.182 444 HG2 ARG 63 HG2 ARG 63 178.752 -0.212 10.072 445 HG3 ARG 63 HG3 ARG 63 178.142 1.256 10.840 446 HD2 ARG 63 HD2 ARG 63 180.119 0.515 12.562 447 HD3 ARG 63 HD3 ARG 63 180.781 -0.014 11.017 448 HE ARG 63 HE ARG 63 179.760 2.642 10.880 449 HH11 ARG 63 HH11 ARG 63 182.496 0.752 11.933 450 HH12 ARG 63 HH12 ARG 63 183.618 2.062 11.790 451 HH21 ARG 63 HH21 ARG 63 181.233 4.370 10.690 452 HH22 ARG 63 HH22 ARG 63 182.901 4.118 11.083 453 H TRP 64 H TRP 64 176.004 -0.844 9.053 454 HA TRP 64 HA TRP 64 175.928 -3.698 8.700 455 HB2 TRP 64 HB2 TRP 64 175.898 -1.561 6.572 456 HB3 TRP 64 HB3 TRP 64 175.400 -3.227 6.405 457 HD1 TRP 64 HD1 TRP 64 174.289 -0.234 8.636 458 HE1 TRP 64 HE1 TRP 64 171.722 -0.268 8.749 459 HE3 TRP 64 HE3 TRP 64 173.396 -4.397 5.803 460 HZ2 TRP 64 HZ2 TRP 64 169.596 -1.840 7.766 461 HZ3 TRP 64 HZ3 TRP 64 171.065 -5.097 5.439 462 HH2 TRP 64 HH2 TRP 64 169.204 -3.844 6.406 463 H THR 65 H THR 65 177.275 -4.808 7.157 464 HA THR 65 HA THR 65 179.905 -3.578 6.726 465 HB THR 65 HB THR 65 179.600 -6.437 7.631 466 HG1 THR 65 HG1 THR 65 180.091 -5.732 9.692 467 HG21 THR 65 HG21 THR 65 182.024 -4.896 8.230 468 HG22 THR 65 HG22 THR 65 181.753 -5.266 6.527 469 HG23 THR 65 HG23 THR 65 181.832 -6.571 7.711 470 H PHE 66 H PHE 66 180.381 -3.624 4.648 471 HA PHE 66 HA PHE 66 179.383 -5.865 3.017 472 HB2 PHE 66 HB2 PHE 66 178.299 -3.836 2.310 473 HB3 PHE 66 HB3 PHE 66 179.830 -2.974 2.255 474 HD1 PHE 66 HD1 PHE 66 179.006 -6.348 0.936 475 HD2 PHE 66 HD2 PHE 66 180.027 -2.315 0.039 476 HE1 PHE 66 HE1 PHE 66 179.252 -6.943 -1.438 477 HE2 PHE 66 HE2 PHE 66 180.273 -2.902 -2.337 478 HZ PHE 66 HZ PHE 66 179.885 -5.218 -3.079 479 H ARG 67 H ARG 67 181.255 -7.094 3.465 480 HA ARG 67 HA ARG 67 183.812 -6.036 2.554 481 HB2 ARG 67 HB2 ARG 67 183.643 -7.245 4.725 482 HB3 ARG 67 HB3 ARG 67 183.188 -8.697 3.842 483 HG2 ARG 67 HG2 ARG 67 185.513 -7.929 2.602 484 HG3 ARG 67 HG3 ARG 67 185.808 -7.523 4.291 485 HD2 ARG 67 HD2 ARG 67 184.765 -10.199 3.385 486 HD3 ARG 67 HD3 ARG 67 186.481 -9.850 3.594 487 HE ARG 67 HE ARG 67 184.533 -10.298 5.664 488 HH11 ARG 67 HH11 ARG 67 187.617 -8.858 4.892 489 HH12 ARG 67 HH12 ARG 67 188.183 -8.894 6.528 490 HH21 ARG 67 HH21 ARG 67 185.277 -10.344 7.816 491 HH22 ARG 67 HH22 ARG 67 186.855 -9.737 8.188 492 H ASP 68 H ASP 68 185.040 -6.975 0.923 493 HA ASP 68 HA ASP 68 183.778 -9.074 -0.688 494 HB2 ASP 68 HB2 ASP 68 184.180 -6.285 -1.472 495 HB3 ASP 68 HB3 ASP 68 184.906 -7.425 -2.601 496 H ARG 69 H ARG 69 185.211 -10.675 -0.619 497 HA ARG 69 HA ARG 69 188.060 -10.110 -0.498 498 HB2 ARG 69 HB2 ARG 69 186.512 -12.701 -0.357 499 HB3 ARG 69 HB3 ARG 69 188.262 -12.588 -0.236 500 HG2 ARG 69 HG2 ARG 69 187.516 -10.815 1.664 501 HG3 ARG 69 HG3 ARG 69 186.185 -11.971 1.743 502 HD2 ARG 69 HD2 ARG 69 188.712 -13.342 1.555 503 HD3 ARG 69 HD3 ARG 69 188.723 -12.206 2.904 504 HE ARG 69 HE ARG 69 187.198 -13.527 3.991 505 HH11 ARG 69 HH11 ARG 69 187.370 -14.507 0.647 506 HH12 ARG 69 HH12 ARG 69 186.409 -15.927 0.884 507 HH21 ARG 69 HH21 ARG 69 185.936 -15.397 4.305 508 HH22 ARG 69 HH22 ARG 69 185.597 -16.435 2.960 509 H ASN 70 H ASN 70 186.371 -9.697 -2.983 510 HA ASN 70 HA ASN 70 188.220 -11.034 -4.801 511 HB2 ASN 70 HB2 ASN 70 185.260 -11.430 -4.741 512 HB3 ASN 70 HB3 ASN 70 186.066 -11.377 -6.307 513 HD21 ASN 70 HD21 ASN 70 188.355 -12.653 -5.977 514 HD22 ASN 70 HD22 ASN 70 188.108 -14.284 -5.463 515 H ALA 71 H ALA 71 188.062 -8.336 -3.924 516 HA ALA 71 HA ALA 71 186.957 -6.900 -6.227 517 HB1 ALA 71 HB1 ALA 71 187.371 -4.869 -4.880 518 HB2 ALA 71 HB2 ALA 71 188.005 -5.887 -3.586 519 HB3 ALA 71 HB3 ALA 71 186.314 -6.025 -4.072 520 H LYS 72 H LYS 72 188.219 -6.166 -7.807 521 HA LYS 72 HA LYS 72 191.064 -6.595 -7.692 522 HB2 LYS 72 HB2 LYS 72 189.634 -6.960 -9.742 523 HB3 LYS 72 HB3 LYS 72 189.497 -5.212 -9.872 524 HG2 LYS 72 HG2 LYS 72 191.241 -5.560 -11.284 525 HG3 LYS 72 HG3 LYS 72 192.131 -5.350 -9.775 526 HD2 LYS 72 HD2 LYS 72 193.096 -7.304 -10.315 527 HD3 LYS 72 HD3 LYS 72 191.593 -8.024 -9.733 528 HE2 LYS 72 HE2 LYS 72 190.710 -7.840 -12.072 529 HE3 LYS 72 HE3 LYS 72 192.327 -7.350 -12.577 530 HZ1 LYS 72 HZ1 LYS 72 192.565 -9.549 -12.902 531 HZ2 LYS 72 HZ2 LYS 72 191.337 -9.972 -11.818 532 HZ3 LYS 72 HZ3 LYS 72 192.879 -9.584 -11.241 533 H LEU 73 H LEU 73 191.403 -5.105 -5.873 534 HA LEU 73 HA LEU 73 191.337 -2.270 -6.622 535 HB2 LEU 73 HB2 LEU 73 191.586 -3.697 -3.987 536 HB3 LEU 73 HB3 LEU 73 191.983 -1.996 -4.146 537 HG LEU 73 HG LEU 73 189.294 -3.091 -4.941 538 HD11 LEU 73 HD11 LEU 73 188.433 -2.583 -2.801 539 HD12 LEU 73 HD12 LEU 73 189.943 -1.826 -2.293 540 HD13 LEU 73 HD13 LEU 73 189.871 -3.571 -2.533 541 HD21 LEU 73 HD21 LEU 73 189.968 -0.319 -4.022 542 HD22 LEU 73 HD22 LEU 73 188.589 -0.870 -4.973 543 HD23 LEU 73 HD23 LEU 73 190.194 -0.806 -5.701 544 H LYS 74 H LYS 74 193.142 -1.162 -7.054 545 HA LYS 74 HA LYS 74 195.723 -2.458 -6.467 546 HB2 LYS 74 HB2 LYS 74 194.645 -1.792 -8.980 547 HB3 LYS 74 HB3 LYS 74 195.890 -0.591 -8.665 548 HG2 LYS 74 HG2 LYS 74 197.504 -2.392 -8.256 549 HG3 LYS 74 HG3 LYS 74 196.252 -3.581 -8.617 550 HD2 LYS 74 HD2 LYS 74 196.999 -1.427 -10.572 551 HD3 LYS 74 HD3 LYS 74 197.880 -2.955 -10.494 552 HE2 LYS 74 HE2 LYS 74 195.332 -3.853 -10.559 553 HE3 LYS 74 HE3 LYS 74 195.172 -2.370 -11.499 554 HZ1 LYS 74 HZ1 LYS 74 196.495 -3.164 -13.151 555 HZ2 LYS 74 HZ2 LYS 74 195.852 -4.633 -12.612 556 HZ3 LYS 74 HZ3 LYS 74 197.401 -4.160 -12.126 557 H LEU 75 H LEU 75 197.507 -1.067 -6.051 558 HA LEU 75 HA LEU 75 196.922 1.057 -4.317 559 HB2 LEU 75 HB2 LEU 75 199.126 -0.469 -4.892 560 HB3 LEU 75 HB3 LEU 75 199.597 1.090 -5.536 561 HG LEU 75 HG LEU 75 200.350 0.664 -3.199 562 HD11 LEU 75 HD11 LEU 75 199.282 2.891 -2.331 563 HD12 LEU 75 HD12 LEU 75 198.676 2.995 -3.985 564 HD13 LEU 75 HD13 LEU 75 200.410 2.897 -3.687 565 HD21 LEU 75 HD21 LEU 75 197.581 0.006 -2.863 566 HD22 LEU 75 HD22 LEU 75 198.021 1.321 -1.774 567 HD23 LEU 75 HD23 LEU 75 198.923 -0.195 -1.737 568 H GLY 76 H GLY 76 196.673 3.178 -4.583 569 HA2 GLY 76 HA2 GLY 76 197.030 5.273 -5.609 570 HA3 GLY 76 HA3 GLY 76 197.564 4.441 -7.059 571 H ASP 77 H ASP 77 195.180 2.648 -6.936 572 HA ASP 77 HA ASP 77 193.548 3.983 -8.717 573 HB2 ASP 77 HB2 ASP 77 193.593 1.529 -8.430 574 HB3 ASP 77 HB3 ASP 77 192.764 1.708 -6.888 575 H LYS 78 H LYS 78 191.384 4.767 -8.527 576 HA LYS 78 HA LYS 78 190.804 5.928 -5.878 577 HB2 LYS 78 HB2 LYS 78 191.389 7.542 -7.717 578 HB3 LYS 78 HB3 LYS 78 189.949 7.007 -8.573 579 HG2 LYS 78 HG2 LYS 78 189.324 8.983 -7.487 580 HG3 LYS 78 HG3 LYS 78 188.648 7.687 -6.498 581 HD2 LYS 78 HD2 LYS 78 189.631 8.750 -4.783 582 HD3 LYS 78 HD3 LYS 78 191.121 8.020 -5.384 583 HE2 LYS 78 HE2 LYS 78 190.285 10.561 -6.645 584 HE3 LYS 78 HE3 LYS 78 190.831 10.655 -4.971 585 HZ1 LYS 78 HZ1 LYS 78 192.736 9.130 -6.029 586 HZ2 LYS 78 HZ2 LYS 78 192.835 10.818 -5.947 587 HZ3 LYS 78 HZ3 LYS 78 192.339 10.069 -7.380 588 H ILE 79 H ILE 79 188.631 6.031 -5.209 589 HA ILE 79 HA ILE 79 186.910 4.054 -6.536 590 HB ILE 79 HB ILE 79 187.463 4.570 -3.687 591 HG12 ILE 79 HG12 ILE 79 186.736 2.077 -3.724 592 HG13 ILE 79 HG13 ILE 79 186.776 2.254 -5.474 593 HG21 ILE 79 HG21 ILE 79 185.161 5.290 -3.699 594 HG22 ILE 79 HG22 ILE 79 185.256 3.682 -2.982 595 HG23 ILE 79 HG23 ILE 79 184.686 3.877 -4.639 596 HD11 ILE 79 HD11 ILE 79 189.114 2.905 -3.708 597 HD12 ILE 79 HD12 ILE 79 189.091 2.727 -5.462 598 HD13 ILE 79 HD13 ILE 79 188.848 1.320 -4.429 599 H TYR 80 H TYR 80 184.730 4.401 -6.799 600 HA TYR 80 HA TYR 80 183.611 7.008 -6.120 601 HB2 TYR 80 HB2 TYR 80 183.916 5.960 -8.935 602 HB3 TYR 80 HB3 TYR 80 182.664 7.126 -8.512 603 HD1 TYR 80 HD1 TYR 80 183.695 9.154 -6.995 604 HD2 TYR 80 HD2 TYR 80 185.805 6.861 -9.889 605 HE1 TYR 80 HE1 TYR 80 185.307 10.991 -7.264 606 HE2 TYR 80 HE2 TYR 80 187.425 8.690 -10.165 607 HH TYR 80 HH TYR 80 187.098 11.534 -9.616 608 H PHE 81 H PHE 81 181.584 6.680 -5.290 609 HA PHE 81 HA PHE 81 179.901 4.596 -6.395 610 HB2 PHE 81 HB2 PHE 81 179.659 3.443 -4.177 611 HB3 PHE 81 HB3 PHE 81 181.203 3.211 -4.957 612 HD1 PHE 81 HD1 PHE 81 183.036 5.028 -4.241 613 HD2 PHE 81 HD2 PHE 81 179.616 3.925 -1.962 614 HE1 PHE 81 HE1 PHE 81 184.136 5.848 -2.197 615 HE2 PHE 81 HE2 PHE 81 180.710 4.744 0.084 616 HZ PHE 81 HZ PHE 81 182.972 5.707 -0.033 617 H TRP 82 H TRP 82 178.110 4.146 -4.658 618 HA TRP 82 HA TRP 82 177.176 6.480 -3.244 619 HB2 TRP 82 HB2 TRP 82 175.049 6.670 -4.399 620 HB3 TRP 82 HB3 TRP 82 176.354 6.897 -5.554 621 HD1 TRP 82 HD1 TRP 82 176.736 4.933 -7.364 622 HE1 TRP 82 HE1 TRP 82 175.120 3.170 -8.307 623 HE3 TRP 82 HE3 TRP 82 173.100 5.174 -3.786 624 HZ2 TRP 82 HZ2 TRP 82 172.634 2.030 -7.626 625 HZ3 TRP 82 HZ3 TRP 82 171.130 3.716 -4.006 626 HH2 TRP 82 HH2 TRP 82 170.904 2.175 -5.887 627 H THR 83 H THR 83 175.992 5.847 -1.480 628 HA THR 83 HA THR 83 175.580 2.946 -1.246 629 HB THR 83 HB THR 83 175.066 3.948 1.248 630 HG1 THR 83 HG1 THR 83 177.163 5.517 0.174 631 HG21 THR 83 HG21 THR 83 177.102 3.076 1.931 632 HG22 THR 83 HG22 THR 83 177.888 3.451 0.398 633 HG23 THR 83 HG23 THR 83 176.709 2.143 0.488 634 H TYR 84 H TYR 84 173.640 2.171 -0.096 635 HA TYR 84 HA TYR 84 171.323 3.939 -0.338 636 HB2 TYR 84 HB2 TYR 84 171.565 2.643 -2.446 637 HB3 TYR 84 HB3 TYR 84 171.466 1.160 -1.508 638 HD1 TYR 84 HD1 TYR 84 169.448 4.234 -1.012 639 HD2 TYR 84 HD2 TYR 84 169.493 0.210 -2.387 640 HE1 TYR 84 HE1 TYR 84 166.998 4.285 -1.222 641 HE2 TYR 84 HE2 TYR 84 167.043 0.248 -2.604 642 HH TYR 84 HH TYR 84 165.124 2.757 -1.294 643 H VAL 85 H VAL 85 169.787 3.597 1.198 644 HA VAL 85 HA VAL 85 169.994 1.186 2.853 645 HB VAL 85 HB VAL 85 170.707 2.289 4.654 646 HG11 VAL 85 HG11 VAL 85 171.967 3.813 3.419 647 HG12 VAL 85 HG12 VAL 85 171.058 4.819 4.549 648 HG13 VAL 85 HG13 VAL 85 170.538 4.690 2.871 649 HG21 VAL 85 HG21 VAL 85 169.303 4.029 5.737 650 HG22 VAL 85 HG22 VAL 85 168.417 2.565 5.314 651 HG23 VAL 85 HG23 VAL 85 168.256 4.014 4.321 652 H ILE 86 H ILE 86 168.011 0.833 4.176 653 HA ILE 86 HA ILE 86 165.621 2.162 3.102 654 HB ILE 86 HB ILE 86 165.850 -0.832 3.423 655 HG12 ILE 86 HG12 ILE 86 167.103 0.044 1.483 656 HG13 ILE 86 HG13 ILE 86 165.733 -0.959 1.016 657 HG21 ILE 86 HG21 ILE 86 163.630 -0.582 3.723 658 HG22 ILE 86 HG22 ILE 86 163.618 -0.420 1.967 659 HG23 ILE 86 HG23 ILE 86 163.602 1.020 2.985 660 HD11 ILE 86 HD11 ILE 86 165.224 0.676 -0.378 661 HD12 ILE 86 HD12 ILE 86 166.286 1.823 0.436 662 HD13 ILE 86 HD13 ILE 86 164.655 1.546 1.042 663 H LYS 87 H LYS 87 164.727 3.073 4.816 664 HA LYS 87 HA LYS 87 164.761 1.650 7.384 665 HB2 LYS 87 HB2 LYS 87 165.714 4.014 7.164 666 HB3 LYS 87 HB3 LYS 87 164.051 4.549 6.972 667 HG2 LYS 87 HG2 LYS 87 163.619 3.321 9.187 668 HG3 LYS 87 HG3 LYS 87 165.373 3.348 9.371 669 HD2 LYS 87 HD2 LYS 87 164.992 5.909 8.738 670 HD3 LYS 87 HD3 LYS 87 163.415 5.574 9.453 671 HE2 LYS 87 HE2 LYS 87 165.409 4.441 11.132 672 HE3 LYS 87 HE3 LYS 87 165.885 6.096 10.757 673 HZ1 LYS 87 HZ1 LYS 87 163.632 5.122 12.310 674 HZ2 LYS 87 HZ2 LYS 87 163.312 6.446 11.307 675 HZ3 LYS 87 HZ3 LYS 87 164.528 6.546 12.478 676 H ASP 88 H ASP 88 163.005 0.337 6.259 677 HA ASP 88 HA ASP 88 160.823 -0.296 6.150 678 HB2 ASP 88 HB2 ASP 88 161.073 0.923 8.552 679 HB3 ASP 88 HB3 ASP 88 159.837 1.942 7.819 680 H GLY 89 H GLY 89 161.472 0.948 3.951 681 HA2 GLY 89 HA2 GLY 89 160.347 1.843 2.123 682 HA3 GLY 89 HA3 GLY 89 159.040 2.317 3.196 683 H LEU 90 H LEU 90 162.347 3.180 3.864 684 HA LEU 90 HA LEU 90 161.970 5.876 2.797 685 HB2 LEU 90 HB2 LEU 90 162.942 5.560 5.614 686 HB3 LEU 90 HB3 LEU 90 162.309 6.992 4.819 687 HG LEU 90 HG LEU 90 160.618 4.587 5.443 688 HD11 LEU 90 HD11 LEU 90 160.992 7.100 7.071 689 HD12 LEU 90 HD12 LEU 90 161.485 5.471 7.534 690 HD13 LEU 90 HD13 LEU 90 159.773 5.858 7.366 691 HD21 LEU 90 HD21 LEU 90 159.517 7.315 5.188 692 HD22 LEU 90 HD22 LEU 90 158.859 5.767 4.656 693 HD23 LEU 90 HD23 LEU 90 160.120 6.562 3.709 694 H GLY 91 H GLY 91 163.549 4.887 1.358 695 HA2 GLY 91 HA2 GLY 91 166.128 4.283 2.392 696 HA3 GLY 91 HA3 GLY 91 165.675 4.275 0.707 697 H TYR 92 H TYR 92 168.087 5.183 1.617 698 HA TYR 92 HA TYR 92 168.085 7.895 0.589 699 HB2 TYR 92 HB2 TYR 92 169.435 7.347 3.236 700 HB3 TYR 92 HB3 TYR 92 169.233 8.900 2.432 701 HD1 TYR 92 HD1 TYR 92 166.790 9.717 2.104 702 HD2 TYR 92 HD2 TYR 92 167.916 6.685 4.867 703 HE1 TYR 92 HE1 TYR 92 164.711 10.099 3.362 704 HE2 TYR 92 HE2 TYR 92 165.840 7.056 6.130 705 HH TYR 92 HH TYR 92 163.674 7.979 5.887 706 H ARG 93 H ARG 93 170.244 8.526 -0.173 707 HA ARG 93 HA ARG 93 172.171 6.327 -0.121 708 HB2 ARG 93 HB2 ARG 93 172.601 6.569 -2.495 709 HB3 ARG 93 HB3 ARG 93 170.903 6.186 -2.204 710 HG2 ARG 93 HG2 ARG 93 171.852 9.003 -2.607 711 HG3 ARG 93 HG3 ARG 93 171.416 7.952 -3.956 712 HD2 ARG 93 HD2 ARG 93 169.357 7.805 -1.991 713 HD3 ARG 93 HD3 ARG 93 169.716 9.502 -2.297 714 HE ARG 93 HE ARG 93 168.928 9.267 -4.459 715 HH11 ARG 93 HH11 ARG 93 169.057 6.149 -2.886 716 HH12 ARG 93 HH12 ARG 93 168.120 5.359 -4.108 717 HH21 ARG 93 HH21 ARG 93 167.699 8.223 -6.064 718 HH22 ARG 93 HH22 ARG 93 167.352 6.533 -5.910 719 H GLN 94 H GLN 94 174.293 6.825 -0.311 720 HA GLN 94 HA GLN 94 174.970 9.665 0.000 721 HB2 GLN 94 HB2 GLN 94 175.633 7.773 1.732 722 HB3 GLN 94 HB3 GLN 94 176.922 7.474 0.574 723 HG2 GLN 94 HG2 GLN 94 177.202 10.102 0.791 724 HG3 GLN 94 HG3 GLN 94 176.480 9.782 2.366 725 HE21 GLN 94 HE21 GLN 94 179.283 10.437 1.185 726 HE22 GLN 94 HE22 GLN 94 180.322 9.371 2.063 727 H ASP 95 H ASP 95 174.675 9.801 -2.324 728 HA ASP 95 HA ASP 95 176.452 8.380 -4.064 729 HB2 ASP 95 HB2 ASP 95 175.529 9.905 -5.815 730 HB3 ASP 95 HB3 ASP 95 174.301 9.023 -4.912 731 H ASN 96 H ASN 96 177.648 9.780 -5.763 732 HA ASN 96 HA ASN 96 179.462 11.060 -6.236 733 HB2 ASN 96 HB2 ASN 96 177.912 12.907 -5.807 734 HB3 ASN 96 HB3 ASN 96 178.288 12.836 -4.091 735 HD21 ASN 96 HD21 ASN 96 179.916 13.154 -7.224 736 HD22 ASN 96 HD22 ASN 96 181.065 14.335 -6.701 737 H GLY 97 H GLY 97 179.407 9.076 -3.878 738 HA2 GLY 97 HA2 GLY 97 181.367 10.091 -2.043 739 HA3 GLY 97 HA3 GLY 97 180.806 8.431 -2.147 740 H GLU 98 H GLU 98 183.457 9.082 -1.703 741 HA GLU 98 HA GLU 98 184.670 7.736 -3.957 742 HB2 GLU 98 HB2 GLU 98 184.790 10.129 -4.582 743 HB3 GLU 98 HB3 GLU 98 185.683 10.455 -3.104 744 HG2 GLU 98 HG2 GLU 98 187.233 8.534 -4.122 745 HG3 GLU 98 HG3 GLU 98 186.565 9.187 -5.617 746 H TRP 99 H TRP 99 186.573 6.683 -3.455 747 HA TRP 99 HA TRP 99 187.706 7.051 -0.790 748 HB2 TRP 99 HB2 TRP 99 186.063 5.279 -0.484 749 HB3 TRP 99 HB3 TRP 99 186.729 4.395 -1.851 750 HD1 TRP 99 HD1 TRP 99 188.075 5.713 1.558 751 HE1 TRP 99 HE1 TRP 99 189.679 3.929 2.496 752 HE3 TRP 99 HE3 TRP 99 187.833 2.335 -2.249 753 HZ2 TRP 99 HZ2 TRP 99 190.706 1.416 1.705 754 HZ3 TRP 99 HZ3 TRP 99 189.148 0.268 -2.094 755 HH2 TRP 99 HH2 TRP 99 190.550 -0.180 -0.156 756 H THR 100 H THR 100 189.798 5.783 -0.571 757 HA THR 100 HA THR 100 191.210 5.865 -3.154 758 HB THR 100 HB THR 100 191.824 7.464 -1.257 759 HG1 THR 100 HG1 THR 100 193.237 7.035 -2.990 760 HG21 THR 100 HG21 THR 100 193.693 5.695 -0.012 761 HG22 THR 100 HG22 THR 100 192.055 5.081 0.227 762 HG23 THR 100 HG23 THR 100 192.466 6.724 0.727 763 H VAL 101 H VAL 101 193.065 4.463 -3.400 764 HA VAL 101 HA VAL 101 192.831 1.903 -1.954 765 HB VAL 101 HB VAL 101 193.760 2.020 -4.810 766 HG11 VAL 101 HG11 VAL 101 192.411 -0.194 -3.271 767 HG12 VAL 101 HG12 VAL 101 194.159 0.018 -3.351 768 HG13 VAL 101 HG13 VAL 101 193.240 -0.309 -4.821 769 HG21 VAL 101 HG21 VAL 101 191.060 2.491 -3.865 770 HG22 VAL 101 HG22 VAL 101 191.149 1.047 -4.873 771 HG23 VAL 101 HG23 VAL 101 191.713 2.595 -5.499 772 H THR 102 H THR 102 194.635 4.485 -2.052 773 HA THR 102 HA THR 102 197.228 3.527 -2.733 774 HB THR 102 HB THR 102 196.974 5.801 -0.852 775 HG1 THR 102 HG1 THR 102 195.542 6.803 -1.980 776 HG21 THR 102 HG21 THR 102 198.266 5.707 -3.559 777 HG22 THR 102 HG22 THR 102 199.076 5.186 -2.082 778 HG23 THR 102 HG23 THR 102 198.544 6.859 -2.253 779 H GLU 103 H GLU 103 195.265 2.927 -0.063 780 HA GLU 103 HA GLU 103 197.622 2.164 1.535 781 HB2 GLU 103 HB2 GLU 103 195.005 3.366 2.404 782 HB3 GLU 103 HB3 GLU 103 195.988 2.428 3.520 783 HG2 GLU 103 HG2 GLU 103 197.512 4.055 3.757 784 HG3 GLU 103 HG3 GLU 103 197.428 4.525 2.059 785 H PHE 104 H PHE 104 197.637 0.144 2.451 786 HA PHE 104 HA PHE 104 195.323 -1.581 1.844 787 HB2 PHE 104 HB2 PHE 104 198.255 -2.046 1.460 788 HB3 PHE 104 HB3 PHE 104 197.216 -3.416 1.832 789 HD1 PHE 104 HD1 PHE 104 194.824 -3.011 0.354 790 HD2 PHE 104 HD2 PHE 104 198.819 -2.059 -0.758 791 HE1 PHE 104 HE1 PHE 104 194.198 -3.180 -2.020 792 HE2 PHE 104 HE2 PHE 104 198.202 -2.227 -3.135 793 HZ PHE 104 HZ PHE 104 195.890 -2.788 -3.770 794 H VAL 105 H VAL 105 194.470 -2.639 3.528 795 HA VAL 105 HA VAL 105 195.857 -2.433 6.092 796 HB VAL 105 HB VAL 105 193.720 -2.930 7.152 797 HG11 VAL 105 HG11 VAL 105 192.859 -0.900 5.194 798 HG12 VAL 105 HG12 VAL 105 194.412 -0.606 5.979 799 HG13 VAL 105 HG13 VAL 105 192.959 -0.817 6.954 800 HG21 VAL 105 HG21 VAL 105 191.816 -2.717 5.143 801 HG22 VAL 105 HG22 VAL 105 192.259 -4.185 6.014 802 HG23 VAL 105 HG23 VAL 105 193.024 -3.811 4.470 803 H ASN 106 H ASN 106 195.520 -4.268 7.611 804 HA ASN 106 HA ASN 106 196.483 -6.697 6.402 805 HB2 ASN 106 HB2 ASN 106 197.155 -5.546 8.665 806 HB3 ASN 106 HB3 ASN 106 195.782 -6.452 9.292 807 HD21 ASN 106 HD21 ASN 106 196.753 -7.959 10.478 808 HD22 ASN 106 HD22 ASN 106 197.885 -9.113 9.877 809 H GLU 107 H GLU 107 195.584 -8.775 6.706 810 HA GLU 107 HA GLU 107 192.839 -8.978 6.205 811 HB2 GLU 107 HB2 GLU 107 194.923 -10.936 7.135 812 HB3 GLU 107 HB3 GLU 107 193.235 -11.418 7.047 813 HG2 GLU 107 HG2 GLU 107 194.312 -10.103 4.646 814 HG3 GLU 107 HG3 GLU 107 194.987 -11.688 5.029 815 H ASP 108 H ASP 108 194.573 -8.346 9.049 816 HA ASP 108 HA ASP 108 192.704 -9.409 10.944 817 HB2 ASP 108 HB2 ASP 108 194.962 -7.413 11.171 818 HB3 ASP 108 HB3 ASP 108 193.961 -7.880 12.544 819 H GLY 109 H GLY 109 193.117 -6.383 9.211 820 HA2 GLY 109 HA2 GLY 109 191.012 -5.167 8.807 821 HA3 GLY 109 HA3 GLY 109 190.635 -5.423 10.502 822 H THR 110 H THR 110 193.903 -4.599 9.642 823 HA THR 110 HA THR 110 193.380 -1.790 10.314 824 HB THR 110 HB THR 110 194.894 -1.658 12.018 825 HG1 THR 110 HG1 THR 110 196.137 -4.068 11.196 826 HG21 THR 110 HG21 THR 110 193.171 -3.152 12.833 827 HG22 THR 110 HG22 THR 110 194.736 -3.565 13.531 828 HG23 THR 110 HG23 THR 110 194.067 -4.544 12.226 829 HA PRO 111 HA PRO 111 196.144 -0.790 7.119 830 HB2 PRO 111 HB2 PRO 111 197.621 1.278 8.122 831 HB3 PRO 111 HB3 PRO 111 195.940 1.432 7.608 832 HG2 PRO 111 HG2 PRO 111 197.074 1.230 10.346 833 HG3 PRO 111 HG3 PRO 111 195.650 2.117 9.779 834 HD2 PRO 111 HD2 PRO 111 195.587 -0.300 11.115 835 HD3 PRO 111 HD3 PRO 111 194.280 0.317 10.109 836 H ALA 112 H ALA 112 197.703 -2.081 6.456 837 HA ALA 112 HA ALA 112 200.339 -1.936 7.443 838 HB1 ALA 112 HB1 ALA 112 198.566 -3.976 8.608 839 HB2 ALA 112 HB2 ALA 112 200.036 -3.244 9.257 840 HB3 ALA 112 HB3 ALA 112 200.149 -4.552 8.077 841 H ASP 113 H ASP 113 200.270 -1.585 5.074 842 HA ASP 113 HA ASP 113 199.728 -3.759 3.314 843 HB2 ASP 113 HB2 ASP 113 199.679 -1.348 2.644 844 HB3 ASP 113 HB3 ASP 113 201.433 -1.317 2.781 845 H THR 114 H THR 114 201.154 -5.130 2.248 846 HA THR 114 HA THR 114 203.396 -6.006 3.722 847 HB THR 114 HB THR 114 203.808 -7.517 1.826 848 HG1 THR 114 HG1 THR 114 201.852 -5.916 0.554 849 HG21 THR 114 HG21 THR 114 200.876 -7.263 2.445 850 HG22 THR 114 HG22 THR 114 202.062 -8.182 3.373 851 HG23 THR 114 HG23 THR 114 201.664 -8.666 1.724 852 H SER 115 H SER 115 203.176 -4.336 0.584 853 HA SER 115 HA SER 115 205.989 -4.020 0.311 854 HB2 SER 115 HB2 SER 115 203.594 -2.867 -1.089 855 HB3 SER 115 HB3 SER 115 205.206 -2.230 -1.418 856 HG SER 115 HG SER 115 205.841 -4.322 -2.030 857 H LEU 116 H LEU 116 207.086 -2.893 1.796 858 HA LEU 116 HA LEU 116 206.808 -0.089 1.980 859 HB2 LEU 116 HB2 LEU 116 204.946 -1.259 3.518 860 HB3 LEU 116 HB3 LEU 116 206.283 -1.262 4.652 861 HG LEU 116 HG LEU 116 206.439 1.287 3.935 862 HD11 LEU 116 HD11 LEU 116 203.481 0.829 3.711 863 HD12 LEU 116 HD12 LEU 116 204.527 0.887 2.292 864 HD13 LEU 116 HD13 LEU 116 204.403 2.289 3.356 865 HD21 LEU 116 HD21 LEU 116 204.608 -0.006 5.931 866 HD22 LEU 116 HD22 LEU 116 204.778 1.746 5.823 867 HD23 LEU 116 HD23 LEU 116 206.181 0.746 6.196 868 H GLU 117 H GLU 117 209.026 -0.413 1.435 869 HA GLU 117 HA GLU 117 211.251 -0.460 1.896 870 HB2 GLU 117 HB2 GLU 117 209.994 0.172 4.491 871 HB3 GLU 117 HB3 GLU 117 211.634 -0.456 4.586 872 HG2 GLU 117 HG2 GLU 117 212.480 1.316 3.252 873 HG3 GLU 117 HG3 GLU 117 210.856 1.860 2.836 874 HA PRO 118 HA PRO 118 212.195 -4.729 2.516 875 HB2 PRO 118 HB2 PRO 118 214.881 -4.610 2.852 876 HB3 PRO 118 HB3 PRO 118 214.102 -4.341 1.288 877 HG2 PRO 118 HG2 PRO 118 215.119 -2.336 3.264 878 HG3 PRO 118 HG3 PRO 118 215.288 -2.352 1.499 879 HD2 PRO 118 HD2 PRO 118 213.444 -0.832 2.782 880 HD3 PRO 118 HD3 PRO 118 213.172 -1.507 1.163 Start of MODEL 3 1 H GLN 6 H GLN 6 161.896 9.640 10.005 2 HA GLN 6 HA GLN 6 163.168 10.584 8.172 3 HB2 GLN 6 HB2 GLN 6 163.096 12.891 9.139 4 HB3 GLN 6 HB3 GLN 6 161.639 11.950 9.430 5 HG2 GLN 6 HG2 GLN 6 162.302 11.521 11.696 6 HG3 GLN 6 HG3 GLN 6 163.863 12.293 11.426 7 HE21 GLN 6 HE21 GLN 6 163.147 13.532 13.330 8 HE22 GLN 6 HE22 GLN 6 162.185 14.943 13.071 9 H TYR 7 H TYR 7 165.204 9.004 9.012 10 HA TYR 7 HA TYR 7 167.379 10.726 9.908 11 HB2 TYR 7 HB2 TYR 7 167.095 8.482 10.891 12 HB3 TYR 7 HB3 TYR 7 167.383 7.759 9.320 13 HD1 TYR 7 HD1 TYR 7 169.014 10.216 11.625 14 HD2 TYR 7 HD2 TYR 7 169.501 6.944 8.952 15 HE1 TYR 7 HE1 TYR 7 171.424 10.186 12.110 16 HE2 TYR 7 HE2 TYR 7 171.914 6.904 9.428 17 HH TYR 7 HH TYR 7 173.654 8.418 10.249 18 H VAL 8 H VAL 8 169.539 10.193 8.776 19 HA VAL 8 HA VAL 8 169.115 10.476 5.873 20 HB VAL 8 HB VAL 8 171.505 11.469 7.422 21 HG11 VAL 8 HG11 VAL 8 171.532 12.998 5.310 22 HG12 VAL 8 HG12 VAL 8 170.553 11.712 4.603 23 HG13 VAL 8 HG13 VAL 8 172.168 11.355 5.217 24 HG21 VAL 8 HG21 VAL 8 169.487 12.594 8.228 25 HG22 VAL 8 HG22 VAL 8 169.061 13.022 6.572 26 HG23 VAL 8 HG23 VAL 8 170.513 13.697 7.311 27 H VAL 9 H VAL 9 170.906 9.688 4.488 28 HA VAL 9 HA VAL 9 171.537 7.004 5.092 29 HB VAL 9 HB VAL 9 171.252 7.716 2.799 30 HG11 VAL 9 HG11 VAL 9 173.576 8.984 2.034 31 HG12 VAL 9 HG12 VAL 9 173.169 9.758 3.565 32 HG13 VAL 9 HG13 VAL 9 171.998 9.740 2.248 33 HG21 VAL 9 HG21 VAL 9 172.518 5.942 2.360 34 HG22 VAL 9 HG22 VAL 9 173.565 6.269 3.741 35 HG23 VAL 9 HG23 VAL 9 173.887 7.039 2.189 36 HA PRO 10 HA PRO 10 175.179 7.609 7.596 37 HB2 PRO 10 HB2 PRO 10 175.870 4.855 6.796 38 HB3 PRO 10 HB3 PRO 10 175.587 5.519 8.406 39 HG2 PRO 10 HG2 PRO 10 173.820 3.884 7.234 40 HG3 PRO 10 HG3 PRO 10 173.307 5.223 8.278 41 HD2 PRO 10 HD2 PRO 10 173.307 5.035 5.293 42 HD3 PRO 10 HD3 PRO 10 172.104 5.759 6.381 43 H SER 11 H SER 11 177.608 6.611 7.315 44 HA SER 11 HA SER 11 178.471 7.528 4.664 45 HB2 SER 11 HB2 SER 11 179.139 8.811 6.785 46 HB3 SER 11 HB3 SER 11 180.200 7.445 7.123 47 HG SER 11 HG SER 11 181.279 7.851 5.192 48 H ALA 12 H ALA 12 179.396 6.118 3.346 49 HA ALA 12 HA ALA 12 179.908 3.431 4.216 50 HB1 ALA 12 HB1 ALA 12 180.929 3.971 1.588 51 HB2 ALA 12 HB2 ALA 12 179.326 4.679 1.779 52 HB3 ALA 12 HB3 ALA 12 179.569 2.959 2.075 53 H LYS 13 H LYS 13 181.649 3.113 5.458 54 HA LYS 13 HA LYS 13 184.156 4.477 4.831 55 HB2 LYS 13 HB2 LYS 13 182.962 3.810 7.222 56 HB3 LYS 13 HB3 LYS 13 184.177 2.554 7.043 57 HG2 LYS 13 HG2 LYS 13 185.935 4.069 7.089 58 HG3 LYS 13 HG3 LYS 13 184.894 5.434 6.680 59 HD2 LYS 13 HD2 LYS 13 183.747 5.014 8.919 60 HD3 LYS 13 HD3 LYS 13 185.120 3.971 9.297 61 HE2 LYS 13 HE2 LYS 13 186.428 5.717 9.747 62 HE3 LYS 13 HE3 LYS 13 185.978 6.529 8.247 63 HZ1 LYS 13 HZ1 LYS 13 184.165 7.555 9.268 64 HZ2 LYS 13 HZ2 LYS 13 185.399 7.680 10.417 65 HZ3 LYS 13 HZ3 LYS 13 184.188 6.514 10.601 66 H LEU 14 H LEU 14 185.408 3.537 3.347 67 HA LEU 14 HA LEU 14 185.411 0.607 3.172 68 HB2 LEU 14 HB2 LEU 14 186.287 2.673 1.159 69 HB3 LEU 14 HB3 LEU 14 186.368 0.938 0.918 70 HG LEU 14 HG LEU 14 183.804 1.004 1.367 71 HD11 LEU 14 HD11 LEU 14 183.609 3.270 2.111 72 HD12 LEU 14 HD12 LEU 14 182.793 3.123 0.557 73 HD13 LEU 14 HD13 LEU 14 184.387 3.869 0.646 74 HD21 LEU 14 HD21 LEU 14 183.455 1.634 -1.076 75 HD22 LEU 14 HD22 LEU 14 184.573 0.312 -0.742 76 HD23 LEU 14 HD23 LEU 14 185.195 1.915 -1.135 77 H GLU 15 H GLU 15 187.448 -0.435 2.581 78 HA GLU 15 HA GLU 15 189.910 0.923 3.262 79 HB2 GLU 15 HB2 GLU 15 188.800 -1.340 4.924 80 HB3 GLU 15 HB3 GLU 15 190.498 -0.884 4.939 81 HG2 GLU 15 HG2 GLU 15 188.235 0.971 5.638 82 HG3 GLU 15 HG3 GLU 15 189.175 0.052 6.812 83 H ALA 16 H ALA 16 191.735 -0.129 2.402 84 HA ALA 16 HA ALA 16 191.099 -2.122 0.383 85 HB1 ALA 16 HB1 ALA 16 192.642 -0.957 -0.712 86 HB2 ALA 16 HB2 ALA 16 193.858 -1.669 0.349 87 HB3 ALA 16 HB3 ALA 16 193.131 -0.116 0.758 88 H ILE 17 H ILE 17 191.260 -4.230 0.699 89 HA ILE 17 HA ILE 17 192.826 -5.228 2.965 90 HB ILE 17 HB ILE 17 190.914 -6.808 1.243 91 HG12 ILE 17 HG12 ILE 17 189.797 -4.858 2.331 92 HG13 ILE 17 HG13 ILE 17 189.206 -6.411 2.911 93 HG21 ILE 17 HG21 ILE 17 190.876 -7.995 3.642 94 HG22 ILE 17 HG22 ILE 17 192.514 -7.339 3.671 95 HG23 ILE 17 HG23 ILE 17 192.021 -8.427 2.371 96 HD11 ILE 17 HD11 ILE 17 191.342 -5.631 4.589 97 HD12 ILE 17 HD12 ILE 17 189.629 -5.779 4.982 98 HD13 ILE 17 HD13 ILE 17 190.270 -4.245 4.393 99 H TYR 18 H TYR 18 194.834 -5.847 2.553 100 HA TYR 18 HA TYR 18 195.705 -6.521 -0.104 101 HB2 TYR 18 HB2 TYR 18 197.104 -5.260 1.555 102 HB3 TYR 18 HB3 TYR 18 197.241 -6.743 2.493 103 HD1 TYR 18 HD1 TYR 18 198.177 -5.084 -0.658 104 HD2 TYR 18 HD2 TYR 18 198.726 -8.500 1.819 105 HE1 TYR 18 HE1 TYR 18 200.124 -5.742 -2.008 106 HE2 TYR 18 HE2 TYR 18 200.675 -9.168 0.475 107 HH TYR 18 HH TYR 18 201.355 -7.926 -2.524 108 HA PRO 19 HA PRO 19 196.957 -7.531 -1.196 109 HB2 PRO 19 HB2 PRO 19 197.525 -9.526 -2.887 110 HB3 PRO 19 HB3 PRO 19 198.472 -9.265 -1.418 111 HG2 PRO 19 HG2 PRO 19 196.540 -11.397 -2.046 112 HG3 PRO 19 HG3 PRO 19 197.849 -11.382 -0.855 113 HD2 PRO 19 HD2 PRO 19 195.029 -10.878 -0.445 114 HD3 PRO 19 HD3 PRO 19 196.320 -10.973 0.766 115 H ARG 20 H ARG 20 194.004 -8.970 -1.004 116 HA ARG 20 HA ARG 20 193.033 -7.661 -3.319 117 HB2 ARG 20 HB2 ARG 20 193.587 -10.539 -3.411 118 HB3 ARG 20 HB3 ARG 20 191.952 -10.111 -3.899 119 HG2 ARG 20 HG2 ARG 20 192.633 -9.151 -5.814 120 HG3 ARG 20 HG3 ARG 20 194.083 -8.466 -5.079 121 HD2 ARG 20 HD2 ARG 20 194.385 -11.280 -5.087 122 HD3 ARG 20 HD3 ARG 20 193.819 -10.807 -6.688 123 HE ARG 20 HE ARG 20 195.806 -9.043 -6.200 124 HH11 ARG 20 HH11 ARG 20 195.625 -12.525 -6.036 125 HH12 ARG 20 HH12 ARG 20 197.295 -12.756 -6.432 126 HH21 ARG 20 HH21 ARG 20 198.003 -9.345 -6.722 127 HH22 ARG 20 HH22 ARG 20 198.644 -10.951 -6.821 128 H GLY 21 H GLY 21 191.612 -6.599 -2.018 129 HA2 GLY 21 HA2 GLY 21 189.115 -7.635 -1.526 130 HA3 GLY 21 HA3 GLY 21 190.013 -7.906 -0.051 131 H LEU 22 H LEU 22 187.787 -6.347 0.022 132 HA LEU 22 HA LEU 22 188.888 -3.866 0.955 133 HB2 LEU 22 HB2 LEU 22 187.906 -2.362 -0.489 134 HB3 LEU 22 HB3 LEU 22 188.413 -3.639 -1.577 135 HG LEU 22 HG LEU 22 185.895 -4.458 -1.081 136 HD11 LEU 22 HD11 LEU 22 184.472 -2.868 -0.413 137 HD12 LEU 22 HD12 LEU 22 185.253 -1.626 -1.389 138 HD13 LEU 22 HD13 LEU 22 185.905 -2.040 0.197 139 HD21 LEU 22 HD21 LEU 22 187.056 -3.993 -3.265 140 HD22 LEU 22 HD22 LEU 22 186.517 -2.319 -3.107 141 HD23 LEU 22 HD23 LEU 22 185.331 -3.620 -3.228 142 H ARG 23 H ARG 23 187.912 -3.453 2.814 143 HA ARG 23 HA ARG 23 185.307 -4.672 3.348 144 HB2 ARG 23 HB2 ARG 23 187.256 -5.018 4.900 145 HB3 ARG 23 HB3 ARG 23 187.162 -3.311 5.303 146 HG2 ARG 23 HG2 ARG 23 184.579 -4.530 5.582 147 HG3 ARG 23 HG3 ARG 23 185.786 -5.433 6.498 148 HD2 ARG 23 HD2 ARG 23 185.929 -2.498 6.728 149 HD3 ARG 23 HD3 ARG 23 184.499 -3.251 7.431 150 HE ARG 23 HE ARG 23 186.682 -4.707 8.317 151 HH11 ARG 23 HH11 ARG 23 185.492 -1.438 8.589 152 HH12 ARG 23 HH12 ARG 23 186.209 -1.173 10.143 153 HH21 ARG 23 HH21 ARG 23 187.625 -4.360 10.360 154 HH22 ARG 23 HH22 ARG 23 187.421 -2.830 11.148 155 H VAL 24 H VAL 24 183.485 -3.543 3.718 156 HA VAL 24 HA VAL 24 183.683 -0.602 3.798 157 HB VAL 24 HB VAL 24 181.467 -2.193 2.504 158 HG11 VAL 24 HG11 VAL 24 180.793 -0.000 1.591 159 HG12 VAL 24 HG12 VAL 24 182.051 0.766 2.562 160 HG13 VAL 24 HG13 VAL 24 180.707 -0.060 3.351 161 HG21 VAL 24 HG21 VAL 24 182.615 -0.826 0.477 162 HG22 VAL 24 HG22 VAL 24 182.999 -2.499 0.882 163 HG23 VAL 24 HG23 VAL 24 184.031 -1.191 1.464 164 H SER 25 H SER 25 182.024 0.499 4.983 165 HA SER 25 HA SER 25 180.193 -1.044 6.602 166 HB2 SER 25 HB2 SER 25 182.059 0.712 8.154 167 HB3 SER 25 HB3 SER 25 181.102 -0.664 8.703 168 HG SER 25 HG SER 25 182.539 -2.020 7.552 169 H ILE 26 H ILE 26 178.621 0.243 7.684 170 HA ILE 26 HA ILE 26 178.662 3.131 7.168 171 HB ILE 26 HB ILE 26 176.309 3.021 6.285 172 HG12 ILE 26 HG12 ILE 26 176.654 0.331 5.213 173 HG13 ILE 26 HG13 ILE 26 176.519 0.342 6.967 174 HG21 ILE 26 HG21 ILE 26 177.062 2.283 3.976 175 HG22 ILE 26 HG22 ILE 26 178.617 1.913 4.718 176 HG23 ILE 26 HG23 ILE 26 177.997 3.563 4.745 177 HD11 ILE 26 HD11 ILE 26 174.381 0.082 5.621 178 HD12 ILE 26 HD12 ILE 26 174.559 1.791 5.225 179 HD13 ILE 26 HD13 ILE 26 174.385 1.289 6.906 180 HA PRO 27 HA PRO 27 177.043 2.887 11.357 181 HB2 PRO 27 HB2 PRO 27 176.171 5.545 11.371 182 HB3 PRO 27 HB3 PRO 27 177.747 4.966 11.912 183 HG2 PRO 27 HG2 PRO 27 176.981 6.249 9.349 184 HG3 PRO 27 HG3 PRO 27 178.510 6.326 10.237 185 HD2 PRO 27 HD2 PRO 27 178.194 4.846 7.992 186 HD3 PRO 27 HD3 PRO 27 179.299 4.379 9.301 187 H ASP 28 H ASP 28 175.279 1.577 11.111 188 HA ASP 28 HA ASP 28 172.965 2.155 9.635 189 HB2 ASP 28 HB2 ASP 28 173.533 -0.118 10.336 190 HB3 ASP 28 HB3 ASP 28 173.321 0.330 12.021 191 H ASP 29 H ASP 29 170.797 2.456 10.480 192 HA ASP 29 HA ASP 29 170.566 3.834 13.033 193 HB2 ASP 29 HB2 ASP 29 170.902 5.347 10.769 194 HB3 ASP 29 HB3 ASP 29 169.148 5.239 10.871 195 H GLY 30 H GLY 30 169.710 1.328 12.424 196 HA2 GLY 30 HA2 GLY 30 167.863 0.017 12.726 197 HA3 GLY 30 HA3 GLY 30 166.953 1.487 12.988 198 H PHE 31 H PHE 31 168.771 0.488 10.121 199 HA PHE 31 HA PHE 31 166.433 1.024 8.484 200 HB2 PHE 31 HB2 PHE 31 169.122 0.061 7.523 201 HB3 PHE 31 HB3 PHE 31 167.887 0.909 6.598 202 HD1 PHE 31 HD1 PHE 31 167.197 3.162 8.258 203 HD2 PHE 31 HD2 PHE 31 170.995 1.367 7.607 204 HE1 PHE 31 HE1 PHE 31 168.293 5.298 8.799 205 HE2 PHE 31 HE2 PHE 31 172.099 3.491 8.151 206 HZ PHE 31 HZ PHE 31 170.751 5.463 8.746 207 H SER 32 H SER 32 166.664 -0.611 6.412 208 HA SER 32 HA SER 32 166.461 -3.341 7.446 209 HB2 SER 32 HB2 SER 32 164.182 -2.423 7.256 210 HB3 SER 32 HB3 SER 32 164.483 -2.028 5.566 211 HG SER 32 HG SER 32 164.836 -4.306 5.235 212 H LEU 33 H LEU 33 167.237 -1.145 4.813 213 HA LEU 33 HA LEU 33 168.588 -3.427 3.527 214 HB2 LEU 33 HB2 LEU 33 166.325 -2.760 2.406 215 HB3 LEU 33 HB3 LEU 33 167.248 -1.409 1.796 216 HG LEU 33 HG LEU 33 168.921 -3.141 0.933 217 HD11 LEU 33 HD11 LEU 33 166.688 -5.049 0.711 218 HD12 LEU 33 HD12 LEU 33 167.433 -4.915 2.305 219 HD13 LEU 33 HD13 LEU 33 168.418 -5.334 0.904 220 HD21 LEU 33 HD21 LEU 33 166.382 -3.446 -0.551 221 HD22 LEU 33 HD22 LEU 33 167.980 -2.957 -1.115 222 HD23 LEU 33 HD23 LEU 33 166.952 -1.801 -0.267 223 H PHE 34 H PHE 34 170.547 -3.030 2.776 224 HA PHE 34 HA PHE 34 171.455 -0.245 2.578 225 HB2 PHE 34 HB2 PHE 34 172.383 -1.142 4.591 226 HB3 PHE 34 HB3 PHE 34 172.857 -2.622 3.786 227 HD1 PHE 34 HD1 PHE 34 173.345 0.972 2.932 228 HD2 PHE 34 HD2 PHE 34 175.144 -2.792 3.755 229 HE1 PHE 34 HE1 PHE 34 175.558 1.924 2.427 230 HE2 PHE 34 HE2 PHE 34 177.361 -1.850 3.255 231 HZ PHE 34 HZ PHE 34 177.569 0.512 2.589 232 H ALA 35 H ALA 35 171.229 -0.235 0.319 233 HA ALA 35 HA ALA 35 172.533 -2.276 -1.271 234 HB1 ALA 35 HB1 ALA 35 171.541 0.196 -2.557 235 HB2 ALA 35 HB2 ALA 35 170.343 -0.812 -1.748 236 HB3 ALA 35 HB3 ALA 35 171.342 -1.490 -3.034 237 H PHE 36 H PHE 36 174.581 -2.191 -1.933 238 HA PHE 36 HA PHE 36 175.965 0.405 -1.807 239 HB2 PHE 36 HB2 PHE 36 176.825 -1.188 -0.171 240 HB3 PHE 36 HB3 PHE 36 177.084 -2.380 -1.440 241 HD1 PHE 36 HD1 PHE 36 178.237 0.813 -0.039 242 HD2 PHE 36 HD2 PHE 36 178.990 -2.275 -2.866 243 HE1 PHE 36 HE1 PHE 36 180.506 1.694 -0.391 244 HE2 PHE 36 HE2 PHE 36 181.262 -1.401 -3.223 245 HZ PHE 36 HZ PHE 36 182.022 0.589 -1.985 246 H HIS 37 H HIS 37 176.439 1.244 -3.715 247 HA HIS 37 HA HIS 37 177.095 -0.551 -5.953 248 HB2 HIS 37 HB2 HIS 37 175.008 1.340 -5.748 249 HB3 HIS 37 HB3 HIS 37 176.207 2.034 -6.820 250 HD1 HIS 37 HD1 HIS 37 173.320 0.928 -7.636 251 HD2 HIS 37 HD2 HIS 37 176.959 -0.999 -8.181 252 HE1 HIS 37 HE1 HIS 37 172.940 -0.704 -9.511 253 HE2 HIS 37 HE2 HIS 37 175.178 -1.799 -9.879 254 H GLY 38 H GLY 38 179.163 -0.245 -6.729 255 HA2 GLY 38 HA2 GLY 38 180.282 2.439 -6.675 256 HA3 GLY 38 HA3 GLY 38 181.060 1.304 -5.589 257 H LYS 39 H LYS 39 181.912 2.787 -8.060 258 HA LYS 39 HA LYS 39 182.862 0.461 -9.597 259 HB2 LYS 39 HB2 LYS 39 181.365 2.233 -10.739 260 HB3 LYS 39 HB3 LYS 39 182.783 3.270 -10.669 261 HG2 LYS 39 HG2 LYS 39 183.893 2.101 -12.261 262 HG3 LYS 39 HG3 LYS 39 183.148 0.565 -11.810 263 HD2 LYS 39 HD2 LYS 39 182.404 1.332 -14.021 264 HD3 LYS 39 HD3 LYS 39 181.067 1.236 -12.874 265 HE2 LYS 39 HE2 LYS 39 182.426 3.838 -12.984 266 HE3 LYS 39 HE3 LYS 39 181.592 3.374 -14.466 267 HZ1 LYS 39 HZ1 LYS 39 179.599 2.948 -13.065 268 HZ2 LYS 39 HZ2 LYS 39 180.073 4.570 -13.112 269 HZ3 LYS 39 HZ3 LYS 39 180.421 3.627 -11.752 270 H LEU 40 H LEU 40 185.031 0.417 -10.224 271 HA LEU 40 HA LEU 40 186.782 2.038 -8.524 272 HB2 LEU 40 HB2 LEU 40 186.995 -0.399 -8.367 273 HB3 LEU 40 HB3 LEU 40 187.361 -0.484 -10.078 274 HG LEU 40 HG LEU 40 189.346 1.100 -9.463 275 HD11 LEU 40 HD11 LEU 40 188.673 -0.154 -6.807 276 HD12 LEU 40 HD12 LEU 40 188.737 1.567 -7.189 277 HD13 LEU 40 HD13 LEU 40 190.217 0.608 -7.191 278 HD21 LEU 40 HD21 LEU 40 189.726 -1.664 -8.431 279 HD22 LEU 40 HD22 LEU 40 190.719 -0.725 -9.544 280 HD23 LEU 40 HD23 LEU 40 189.216 -1.455 -10.107 281 H ASN 41 H ASN 41 187.993 3.609 -9.335 282 HA ASN 41 HA ASN 41 188.988 5.030 -10.804 283 HB2 ASN 41 HB2 ASN 41 190.219 2.762 -11.209 284 HB3 ASN 41 HB3 ASN 41 189.347 2.765 -12.740 285 HD21 ASN 41 HD21 ASN 41 192.229 3.338 -11.580 286 HD22 ASN 41 HD22 ASN 41 192.743 4.664 -12.559 287 H GLU 42 H GLU 42 186.375 5.329 -10.938 288 HA GLU 42 HA GLU 42 185.866 6.464 -13.397 289 HB2 GLU 42 HB2 GLU 42 185.783 4.094 -14.196 290 HB3 GLU 42 HB3 GLU 42 184.412 3.830 -13.126 291 HG2 GLU 42 HG2 GLU 42 183.112 5.466 -14.320 292 HG3 GLU 42 HG3 GLU 42 184.494 5.871 -15.333 293 H GLU 43 H GLU 43 184.766 8.069 -12.593 294 HA GLU 43 HA GLU 43 183.213 8.071 -10.285 295 HB2 GLU 43 HB2 GLU 43 182.850 9.951 -12.616 296 HB3 GLU 43 HB3 GLU 43 182.475 10.262 -10.926 297 HG2 GLU 43 HG2 GLU 43 184.799 10.242 -10.352 298 HG3 GLU 43 HG3 GLU 43 185.233 9.754 -11.981 299 H MET 44 H MET 44 180.847 9.275 -10.811 300 HA MET 44 HA MET 44 179.258 7.776 -12.672 301 HB2 MET 44 HB2 MET 44 177.768 7.206 -10.438 302 HB3 MET 44 HB3 MET 44 178.790 6.061 -11.293 303 HG2 MET 44 HG2 MET 44 180.441 6.136 -9.702 304 HG3 MET 44 HG3 MET 44 179.984 7.744 -9.147 305 HE1 MET 44 HE1 MET 44 179.628 4.001 -8.856 306 HE2 MET 44 HE2 MET 44 177.999 4.216 -9.495 307 HE3 MET 44 HE3 MET 44 178.229 3.725 -7.815 308 H ASP 45 H ASP 45 177.077 8.579 -12.813 309 HA ASP 45 HA ASP 45 176.487 10.979 -11.260 310 HB2 ASP 45 HB2 ASP 45 177.708 11.559 -13.434 311 HB3 ASP 45 HB3 ASP 45 176.252 11.019 -14.263 312 H GLY 46 H GLY 46 174.847 9.693 -10.313 313 HA2 GLY 46 HA2 GLY 46 172.502 9.585 -10.208 314 HA3 GLY 46 HA3 GLY 46 172.475 9.506 -11.945 315 H LEU 47 H LEU 47 172.611 7.803 -9.060 316 HA LEU 47 HA LEU 47 173.142 5.532 -8.637 317 HB2 LEU 47 HB2 LEU 47 170.601 5.123 -10.104 318 HB3 LEU 47 HB3 LEU 47 171.065 4.629 -8.488 319 HG LEU 47 HG LEU 47 170.428 7.473 -9.252 320 HD11 LEU 47 HD11 LEU 47 168.339 7.024 -7.890 321 HD12 LEU 47 HD12 LEU 47 168.708 5.309 -8.063 322 HD13 LEU 47 HD13 LEU 47 168.395 6.292 -9.494 323 HD21 LEU 47 HD21 LEU 47 170.677 8.017 -7.031 324 HD22 LEU 47 HD22 LEU 47 171.948 6.812 -7.240 325 HD23 LEU 47 HD23 LEU 47 170.418 6.361 -6.483 326 H GLU 48 H GLU 48 174.932 5.344 -10.217 327 HA GLU 48 HA GLU 48 174.281 3.979 -12.702 328 HB2 GLU 48 HB2 GLU 48 176.850 4.980 -11.492 329 HB3 GLU 48 HB3 GLU 48 176.835 3.970 -12.930 330 HG2 GLU 48 HG2 GLU 48 175.268 6.520 -12.768 331 HG3 GLU 48 HG3 GLU 48 176.963 6.488 -13.254 332 H ALA 49 H ALA 49 174.944 1.886 -13.224 333 HA ALA 49 HA ALA 49 174.677 -0.046 -11.265 334 HB1 ALA 49 HB1 ALA 49 175.359 -1.652 -12.938 335 HB2 ALA 49 HB2 ALA 49 176.060 -0.367 -13.922 336 HB3 ALA 49 HB3 ALA 49 174.316 -0.433 -13.669 337 H GLY 50 H GLY 50 177.448 1.800 -12.123 338 HA2 GLY 50 HA2 GLY 50 179.678 1.647 -11.559 339 HA3 GLY 50 HA3 GLY 50 179.015 1.227 -9.989 340 H HIS 51 H HIS 51 180.174 -0.405 -9.220 341 HA HIS 51 HA HIS 51 180.547 -2.752 -10.935 342 HB2 HIS 51 HB2 HIS 51 182.658 -1.320 -10.512 343 HB3 HIS 51 HB3 HIS 51 182.594 -1.971 -8.879 344 HD1 HIS 51 HD1 HIS 51 181.799 -4.003 -11.951 345 HD2 HIS 51 HD2 HIS 51 184.804 -3.605 -9.107 346 HE1 HIS 51 HE1 HIS 51 183.354 -5.943 -12.339 347 HE2 HIS 51 HE2 HIS 51 185.209 -5.632 -10.663 348 H TRP 52 H TRP 52 181.217 -1.948 -7.533 349 HA TRP 52 HA TRP 52 180.258 -4.485 -6.636 350 HB2 TRP 52 HB2 TRP 52 180.930 -1.970 -5.091 351 HB3 TRP 52 HB3 TRP 52 180.612 -3.545 -4.370 352 HD1 TRP 52 HD1 TRP 52 182.396 -5.559 -5.321 353 HE1 TRP 52 HE1 TRP 52 184.943 -5.349 -5.608 354 HE3 TRP 52 HE3 TRP 52 182.775 -0.465 -5.510 355 HZ2 TRP 52 HZ2 TRP 52 186.864 -3.294 -5.877 356 HZ3 TRP 52 HZ3 TRP 52 185.004 0.544 -5.786 357 HH2 TRP 52 HH2 TRP 52 187.004 -0.843 -5.965 358 H ALA 53 H ALA 53 178.133 -4.739 -7.207 359 HA ALA 53 HA ALA 53 176.203 -2.871 -5.992 360 HB1 ALA 53 HB1 ALA 53 176.366 -3.130 -8.582 361 HB2 ALA 53 HB2 ALA 53 174.787 -3.068 -7.800 362 HB3 ALA 53 HB3 ALA 53 175.464 -4.618 -8.297 363 H ARG 54 H ARG 54 175.992 -3.994 -4.039 364 HA ARG 54 HA ARG 54 174.539 -6.522 -4.261 365 HB2 ARG 54 HB2 ARG 54 176.866 -7.063 -3.846 366 HB3 ARG 54 HB3 ARG 54 176.892 -5.998 -2.456 367 HG2 ARG 54 HG2 ARG 54 176.441 -7.815 -1.246 368 HG3 ARG 54 HG3 ARG 54 174.799 -7.684 -1.883 369 HD2 ARG 54 HD2 ARG 54 175.058 -9.446 -3.272 370 HD3 ARG 54 HD3 ARG 54 176.739 -9.053 -3.626 371 HE ARG 54 HE ARG 54 177.362 -10.532 -2.010 372 HH11 ARG 54 HH11 ARG 54 174.052 -9.599 -1.419 373 HH12 ARG 54 HH12 ARG 54 173.840 -10.715 -0.111 374 HH21 ARG 54 HH21 ARG 54 177.086 -12.000 -0.293 375 HH22 ARG 54 HH22 ARG 54 175.562 -12.078 0.528 376 H ASP 55 H ASP 55 172.729 -6.513 -3.112 377 HA ASP 55 HA ASP 55 172.200 -4.382 -1.218 378 HB2 ASP 55 HB2 ASP 55 169.915 -5.485 -1.166 379 HB3 ASP 55 HB3 ASP 55 170.413 -4.824 -2.718 380 H ILE 56 H ILE 56 172.237 -4.595 0.951 381 HA ILE 56 HA ILE 56 172.670 -7.301 2.034 382 HB ILE 56 HB ILE 56 173.369 -4.737 3.448 383 HG12 ILE 56 HG12 ILE 56 175.157 -6.422 1.679 384 HG13 ILE 56 HG13 ILE 56 174.576 -4.802 1.304 385 HG21 ILE 56 HG21 ILE 56 173.645 -7.603 3.984 386 HG22 ILE 56 HG22 ILE 56 173.622 -6.234 5.096 387 HG23 ILE 56 HG23 ILE 56 175.114 -6.667 4.262 388 HD11 ILE 56 HD11 ILE 56 175.860 -4.784 3.854 389 HD12 ILE 56 HD12 ILE 56 176.281 -3.908 2.383 390 HD13 ILE 56 HD13 ILE 56 176.919 -5.528 2.656 391 H THR 57 H THR 57 171.686 -7.873 4.026 392 HA THR 57 HA THR 57 169.537 -6.160 5.007 393 HB THR 57 HB THR 57 167.854 -7.883 4.846 394 HG1 THR 57 HG1 THR 57 169.859 -9.488 3.642 395 HG21 THR 57 HG21 THR 57 168.975 -8.140 2.126 396 HG22 THR 57 HG22 THR 57 168.635 -6.512 2.712 397 HG23 THR 57 HG23 THR 57 167.346 -7.714 2.654 398 H LYS 58 H LYS 58 172.135 -7.140 6.010 399 HA LYS 58 HA LYS 58 171.187 -8.073 8.588 400 HB2 LYS 58 HB2 LYS 58 171.976 -9.999 6.853 401 HB3 LYS 58 HB3 LYS 58 173.517 -9.605 7.602 402 HG2 LYS 58 HG2 LYS 58 171.099 -10.179 9.272 403 HG3 LYS 58 HG3 LYS 58 172.089 -11.485 8.617 404 HD2 LYS 58 HD2 LYS 58 173.997 -9.869 9.666 405 HD3 LYS 58 HD3 LYS 58 172.660 -9.578 10.783 406 HE2 LYS 58 HE2 LYS 58 173.951 -12.208 10.094 407 HE3 LYS 58 HE3 LYS 58 173.941 -11.388 11.655 408 HZ1 LYS 58 HZ1 LYS 58 171.575 -11.753 11.814 409 HZ2 LYS 58 HZ2 LYS 58 172.357 -13.230 11.557 410 HZ3 LYS 58 HZ3 LYS 58 171.540 -12.474 10.283 411 HA PRO 59 HA PRO 59 174.497 -4.881 8.919 412 HB2 PRO 59 HB2 PRO 59 173.056 -4.308 11.426 413 HB3 PRO 59 HB3 PRO 59 173.487 -3.214 10.109 414 HG2 PRO 59 HG2 PRO 59 170.949 -3.982 10.529 415 HG3 PRO 59 HG3 PRO 59 171.585 -3.724 8.896 416 HD2 PRO 59 HD2 PRO 59 171.132 -6.291 10.366 417 HD3 PRO 59 HD3 PRO 59 170.815 -5.898 8.663 418 H LYS 60 H LYS 60 175.532 -4.209 11.228 419 HA LYS 60 HA LYS 60 176.203 -6.726 12.610 420 HB2 LYS 60 HB2 LYS 60 178.432 -6.387 12.388 421 HB3 LYS 60 HB3 LYS 60 177.953 -5.404 11.016 422 HG2 LYS 60 HG2 LYS 60 177.906 -3.462 12.728 423 HG3 LYS 60 HG3 LYS 60 178.877 -4.544 13.725 424 HD2 LYS 60 HD2 LYS 60 179.737 -4.269 10.919 425 HD3 LYS 60 HD3 LYS 60 179.916 -2.828 11.922 426 HE2 LYS 60 HE2 LYS 60 181.892 -4.430 11.831 427 HE3 LYS 60 HE3 LYS 60 181.346 -3.919 13.426 428 HZ1 LYS 60 HZ1 LYS 60 180.425 -6.440 12.176 429 HZ2 LYS 60 HZ2 LYS 60 180.325 -5.982 13.801 430 HZ3 LYS 60 HZ3 LYS 60 181.826 -6.363 13.122 431 H GLU 61 H GLU 61 174.253 -4.563 13.128 432 HA GLU 61 HA GLU 61 173.320 -3.732 15.022 433 HB2 GLU 61 HB2 GLU 61 175.277 -5.357 16.122 434 HB3 GLU 61 HB3 GLU 61 175.636 -3.775 16.801 435 HG2 GLU 61 HG2 GLU 61 173.196 -3.655 17.459 436 HG3 GLU 61 HG3 GLU 61 173.101 -5.366 17.039 437 H GLY 62 H GLY 62 173.152 -1.788 14.054 438 HA2 GLY 62 HA2 GLY 62 173.414 0.502 14.043 439 HA3 GLY 62 HA3 GLY 62 174.726 0.320 15.201 440 H ARG 63 H ARG 63 175.393 -1.775 12.730 441 HA ARG 63 HA ARG 63 176.493 0.147 10.867 442 HB2 ARG 63 HB2 ARG 63 178.104 -0.888 13.041 443 HB3 ARG 63 HB3 ARG 63 178.791 -1.306 11.479 444 HG2 ARG 63 HG2 ARG 63 179.757 0.701 11.599 445 HG3 ARG 63 HG3 ARG 63 178.176 1.317 11.112 446 HD2 ARG 63 HD2 ARG 63 177.951 2.383 13.048 447 HD3 ARG 63 HD3 ARG 63 178.207 0.887 13.943 448 HE ARG 63 HE ARG 63 180.086 2.996 13.557 449 HH11 ARG 63 HH11 ARG 63 179.802 -0.457 13.979 450 HH12 ARG 63 HH12 ARG 63 181.390 -0.631 14.649 451 HH21 ARG 63 HH21 ARG 63 182.174 2.769 14.438 452 HH22 ARG 63 HH22 ARG 63 182.735 1.199 14.910 453 H TRP 64 H TRP 64 176.278 -0.737 8.880 454 HA TRP 64 HA TRP 64 176.010 -3.602 8.616 455 HB2 TRP 64 HB2 TRP 64 176.043 -1.507 6.448 456 HB3 TRP 64 HB3 TRP 64 175.537 -3.168 6.287 457 HD1 TRP 64 HD1 TRP 64 174.425 -0.161 8.483 458 HE1 TRP 64 HE1 TRP 64 171.855 -0.176 8.570 459 HE3 TRP 64 HE3 TRP 64 173.523 -4.330 5.660 460 HZ2 TRP 64 HZ2 TRP 64 169.727 -1.732 7.574 461 HZ3 TRP 64 HZ3 TRP 64 171.187 -5.011 5.279 462 HH2 TRP 64 HH2 TRP 64 169.326 -3.735 6.220 463 H THR 65 H THR 65 177.311 -4.807 7.102 464 HA THR 65 HA THR 65 179.985 -3.688 6.646 465 HB THR 65 HB THR 65 179.866 -6.547 7.404 466 HG1 THR 65 HG1 THR 65 179.531 -6.193 9.503 467 HG21 THR 65 HG21 THR 65 182.033 -6.255 7.698 468 HG22 THR 65 HG22 THR 65 181.740 -4.973 8.872 469 HG23 THR 65 HG23 THR 65 181.853 -4.586 7.156 470 H PHE 66 H PHE 66 180.495 -3.823 4.590 471 HA PHE 66 HA PHE 66 179.508 -6.117 3.024 472 HB2 PHE 66 HB2 PHE 66 178.350 -4.055 2.356 473 HB3 PHE 66 HB3 PHE 66 179.899 -3.274 2.060 474 HD1 PHE 66 HD1 PHE 66 178.451 -6.588 1.134 475 HD2 PHE 66 HD2 PHE 66 180.254 -2.963 -0.176 476 HE1 PHE 66 HE1 PHE 66 178.424 -7.416 -1.184 477 HE2 PHE 66 HE2 PHE 66 180.229 -3.784 -2.494 478 HZ PHE 66 HZ PHE 66 179.314 -6.014 -3.000 479 H ARG 67 H ARG 67 181.359 -7.338 3.205 480 HA ARG 67 HA ARG 67 183.910 -6.138 2.438 481 HB2 ARG 67 HB2 ARG 67 183.077 -8.558 3.933 482 HB3 ARG 67 HB3 ARG 67 184.561 -8.686 3.000 483 HG2 ARG 67 HG2 ARG 67 184.271 -6.298 4.718 484 HG3 ARG 67 HG3 ARG 67 184.498 -7.849 5.528 485 HD2 ARG 67 HD2 ARG 67 186.299 -6.556 3.489 486 HD3 ARG 67 HD3 ARG 67 186.651 -6.871 5.188 487 HE ARG 67 HE ARG 67 186.811 -8.740 3.003 488 HH11 ARG 67 HH11 ARG 67 186.489 -8.379 6.460 489 HH12 ARG 67 HH12 ARG 67 187.115 -9.956 6.808 490 HH21 ARG 67 HH21 ARG 67 187.632 -10.814 3.458 491 HH22 ARG 67 HH22 ARG 67 187.763 -11.340 5.105 492 H ASP 68 H ASP 68 185.126 -6.791 0.702 493 HA ASP 68 HA ASP 68 183.997 -8.808 -1.098 494 HB2 ASP 68 HB2 ASP 68 184.317 -5.920 -1.646 495 HB3 ASP 68 HB3 ASP 68 184.898 -6.998 -2.912 496 H ARG 69 H ARG 69 185.641 -10.237 -0.662 497 HA ARG 69 HA ARG 69 188.408 -9.384 -0.908 498 HB2 ARG 69 HB2 ARG 69 188.976 -11.625 -0.164 499 HB3 ARG 69 HB3 ARG 69 187.756 -10.928 0.893 500 HG2 ARG 69 HG2 ARG 69 186.036 -12.192 -0.442 501 HG3 ARG 69 HG3 ARG 69 187.381 -13.030 -1.219 502 HD2 ARG 69 HD2 ARG 69 188.155 -13.800 0.978 503 HD3 ARG 69 HD3 ARG 69 186.795 -12.976 1.740 504 HE ARG 69 HE ARG 69 186.744 -15.493 0.357 505 HH11 ARG 69 HH11 ARG 69 184.843 -12.738 1.347 506 HH12 ARG 69 HH12 ARG 69 183.342 -13.600 1.304 507 HH21 ARG 69 HH21 ARG 69 184.771 -16.630 0.301 508 HH22 ARG 69 HH22 ARG 69 183.301 -15.809 0.710 509 H ASN 70 H ASN 70 186.504 -9.537 -3.256 510 HA ASN 70 HA ASN 70 188.201 -11.246 -4.947 511 HB2 ASN 70 HB2 ASN 70 185.207 -10.944 -4.955 512 HB3 ASN 70 HB3 ASN 70 186.074 -11.478 -6.392 513 HD21 ASN 70 HD21 ASN 70 184.506 -13.306 -5.835 514 HD22 ASN 70 HD22 ASN 70 185.155 -14.582 -4.868 515 H ALA 71 H ALA 71 188.356 -8.376 -4.317 516 HA ALA 71 HA ALA 71 187.851 -7.265 -7.001 517 HB1 ALA 71 HB1 ALA 71 186.731 -6.259 -4.880 518 HB2 ALA 71 HB2 ALA 71 187.429 -5.185 -6.092 519 HB3 ALA 71 HB3 ALA 71 188.316 -5.537 -4.607 520 H LYS 72 H LYS 72 189.654 -7.290 -8.167 521 HA LYS 72 HA LYS 72 192.261 -7.312 -6.997 522 HB2 LYS 72 HB2 LYS 72 191.516 -8.381 -9.209 523 HB3 LYS 72 HB3 LYS 72 191.658 -6.768 -9.895 524 HG2 LYS 72 HG2 LYS 72 193.745 -7.451 -10.365 525 HG3 LYS 72 HG3 LYS 72 194.054 -6.966 -8.697 526 HD2 LYS 72 HD2 LYS 72 194.246 -9.108 -7.968 527 HD3 LYS 72 HD3 LYS 72 193.054 -9.719 -9.117 528 HE2 LYS 72 HE2 LYS 72 195.031 -8.973 -10.800 529 HE3 LYS 72 HE3 LYS 72 195.974 -9.426 -9.381 530 HZ1 LYS 72 HZ1 LYS 72 194.371 -11.088 -11.155 531 HZ2 LYS 72 HZ2 LYS 72 194.333 -11.490 -9.512 532 HZ3 LYS 72 HZ3 LYS 72 195.809 -11.448 -10.339 533 H LEU 73 H LEU 73 191.991 -5.306 -5.753 534 HA LEU 73 HA LEU 73 192.019 -2.821 -7.251 535 HB2 LEU 73 HB2 LEU 73 192.432 -3.167 -4.287 536 HB3 LEU 73 HB3 LEU 73 191.929 -1.719 -5.138 537 HG LEU 73 HG LEU 73 190.205 -4.165 -5.232 538 HD11 LEU 73 HD11 LEU 73 190.131 -4.125 -2.983 539 HD12 LEU 73 HD12 LEU 73 189.063 -2.746 -3.242 540 HD13 LEU 73 HD13 LEU 73 190.772 -2.485 -2.883 541 HD21 LEU 73 HD21 LEU 73 188.561 -2.056 -5.074 542 HD22 LEU 73 HD22 LEU 73 189.218 -2.655 -6.596 543 HD23 LEU 73 HD23 LEU 73 189.968 -1.275 -5.795 544 H LYS 74 H LYS 74 193.723 -1.274 -7.117 545 HA LYS 74 HA LYS 74 196.331 -2.353 -6.301 546 HB2 LYS 74 HB2 LYS 74 195.528 -2.075 -8.959 547 HB3 LYS 74 HB3 LYS 74 196.529 -0.661 -8.660 548 HG2 LYS 74 HG2 LYS 74 198.245 -1.988 -9.155 549 HG3 LYS 74 HG3 LYS 74 198.014 -2.668 -7.541 550 HD2 LYS 74 HD2 LYS 74 196.638 -4.435 -8.427 551 HD3 LYS 74 HD3 LYS 74 196.672 -3.708 -10.035 552 HE2 LYS 74 HE2 LYS 74 199.253 -4.399 -8.723 553 HE3 LYS 74 HE3 LYS 74 198.274 -5.701 -9.394 554 HZ1 LYS 74 HZ1 LYS 74 198.238 -3.968 -11.410 555 HZ2 LYS 74 HZ2 LYS 74 199.405 -5.183 -11.252 556 HZ3 LYS 74 HZ3 LYS 74 199.756 -3.606 -10.752 557 H LEU 75 H LEU 75 197.776 -0.885 -5.495 558 HA LEU 75 HA LEU 75 196.826 1.368 -4.194 559 HB2 LEU 75 HB2 LEU 75 199.110 -0.025 -4.091 560 HB3 LEU 75 HB3 LEU 75 199.680 1.348 -5.019 561 HG LEU 75 HG LEU 75 198.175 1.926 -2.525 562 HD11 LEU 75 HD11 LEU 75 199.946 0.012 -2.204 563 HD12 LEU 75 HD12 LEU 75 199.822 1.340 -1.049 564 HD13 LEU 75 HD13 LEU 75 201.084 1.356 -2.281 565 HD21 LEU 75 HD21 LEU 75 200.618 3.117 -3.831 566 HD22 LEU 75 HD22 LEU 75 199.803 3.751 -2.401 567 HD23 LEU 75 HD23 LEU 75 198.970 3.730 -3.957 568 H GLY 76 H GLY 76 196.501 3.434 -4.713 569 HA2 GLY 76 HA2 GLY 76 197.151 5.436 -5.910 570 HA3 GLY 76 HA3 GLY 76 197.570 4.413 -7.276 571 H ASP 77 H ASP 77 195.117 2.800 -6.926 572 HA ASP 77 HA ASP 77 193.472 4.179 -8.706 573 HB2 ASP 77 HB2 ASP 77 193.617 1.664 -8.317 574 HB3 ASP 77 HB3 ASP 77 192.556 1.923 -6.936 575 H LYS 78 H LYS 78 191.186 4.742 -8.359 576 HA LYS 78 HA LYS 78 190.734 5.883 -5.675 577 HB2 LYS 78 HB2 LYS 78 191.230 7.564 -7.492 578 HB3 LYS 78 HB3 LYS 78 189.748 7.047 -8.288 579 HG2 LYS 78 HG2 LYS 78 188.413 7.826 -6.475 580 HG3 LYS 78 HG3 LYS 78 189.840 8.132 -5.483 581 HD2 LYS 78 HD2 LYS 78 189.395 9.509 -8.119 582 HD3 LYS 78 HD3 LYS 78 188.749 10.145 -6.605 583 HE2 LYS 78 HE2 LYS 78 190.938 10.384 -5.687 584 HE3 LYS 78 HE3 LYS 78 191.660 9.500 -7.031 585 HZ1 LYS 78 HZ1 LYS 78 192.068 11.611 -7.705 586 HZ2 LYS 78 HZ2 LYS 78 190.724 12.264 -6.914 587 HZ3 LYS 78 HZ3 LYS 78 190.525 11.444 -8.379 588 H ILE 79 H ILE 79 188.476 6.110 -5.067 589 HA ILE 79 HA ILE 79 186.787 4.080 -6.359 590 HB ILE 79 HB ILE 79 187.413 4.509 -3.518 591 HG12 ILE 79 HG12 ILE 79 186.718 2.038 -3.561 592 HG13 ILE 79 HG13 ILE 79 186.570 2.233 -5.303 593 HG21 ILE 79 HG21 ILE 79 185.188 5.201 -3.242 594 HG22 ILE 79 HG22 ILE 79 185.161 3.474 -2.892 595 HG23 ILE 79 HG23 ILE 79 184.593 4.064 -4.452 596 HD11 ILE 79 HD11 ILE 79 189.087 2.828 -3.777 597 HD12 ILE 79 HD12 ILE 79 188.882 2.715 -5.526 598 HD13 ILE 79 HD13 ILE 79 188.733 1.271 -4.524 599 H TYR 80 H TYR 80 184.617 4.426 -6.624 600 HA TYR 80 HA TYR 80 183.465 6.985 -5.831 601 HB2 TYR 80 HB2 TYR 80 183.914 6.109 -8.669 602 HB3 TYR 80 HB3 TYR 80 182.496 7.077 -8.271 603 HD1 TYR 80 HD1 TYR 80 182.745 9.385 -7.491 604 HD2 TYR 80 HD2 TYR 80 186.130 7.064 -8.611 605 HE1 TYR 80 HE1 TYR 80 184.104 11.431 -7.596 606 HE2 TYR 80 HE2 TYR 80 187.500 9.105 -8.717 607 HH TYR 80 HH TYR 80 186.270 12.140 -8.863 608 H PHE 81 H PHE 81 181.425 6.621 -5.052 609 HA PHE 81 HA PHE 81 179.799 4.531 -6.232 610 HB2 PHE 81 HB2 PHE 81 179.476 3.459 -3.927 611 HB3 PHE 81 HB3 PHE 81 180.961 3.102 -4.782 612 HD1 PHE 81 HD1 PHE 81 179.773 5.844 -2.542 613 HD2 PHE 81 HD2 PHE 81 182.775 2.942 -3.377 614 HE1 PHE 81 HE1 PHE 81 181.046 6.606 -0.585 615 HE2 PHE 81 HE2 PHE 81 184.048 3.700 -1.411 616 HZ PHE 81 HZ PHE 81 183.187 5.535 -0.017 617 H TRP 82 H TRP 82 177.927 4.088 -4.550 618 HA TRP 82 HA TRP 82 176.924 6.396 -3.170 619 HB2 TRP 82 HB2 TRP 82 174.968 6.794 -4.484 620 HB3 TRP 82 HB3 TRP 82 176.331 6.835 -5.594 621 HD1 TRP 82 HD1 TRP 82 176.627 4.615 -7.197 622 HE1 TRP 82 HE1 TRP 82 174.834 3.054 -8.180 623 HE3 TRP 82 HE3 TRP 82 172.756 5.758 -4.063 624 HZ2 TRP 82 HZ2 TRP 82 172.132 2.396 -7.694 625 HZ3 TRP 82 HZ3 TRP 82 170.600 4.620 -4.389 626 HH2 TRP 82 HH2 TRP 82 170.296 2.974 -6.167 627 H THR 83 H THR 83 175.774 5.666 -1.455 628 HA THR 83 HA THR 83 174.994 2.819 -1.524 629 HB THR 83 HB THR 83 174.916 3.168 1.037 630 HG1 THR 83 HG1 THR 83 176.597 5.337 0.333 631 HG21 THR 83 HG21 THR 83 177.172 2.693 -0.709 632 HG22 THR 83 HG22 THR 83 176.718 1.901 0.800 633 HG23 THR 83 HG23 THR 83 177.653 3.396 0.834 634 H TYR 84 H TYR 84 172.983 2.168 -0.592 635 HA TYR 84 HA TYR 84 171.035 4.331 -0.217 636 HB2 TYR 84 HB2 TYR 84 170.845 3.533 -2.535 637 HB3 TYR 84 HB3 TYR 84 170.617 1.889 -1.948 638 HD1 TYR 84 HD1 TYR 84 169.135 5.075 -0.707 639 HD2 TYR 84 HD2 TYR 84 168.447 1.321 -2.588 640 HE1 TYR 84 HE1 TYR 84 166.709 5.467 -0.590 641 HE2 TYR 84 HE2 TYR 84 166.021 1.704 -2.478 642 HH TYR 84 HH TYR 84 164.504 3.392 -0.686 643 H VAL 85 H VAL 85 170.139 4.099 1.715 644 HA VAL 85 HA VAL 85 169.925 1.401 2.860 645 HB VAL 85 HB VAL 85 170.740 2.313 4.729 646 HG11 VAL 85 HG11 VAL 85 170.362 5.011 3.443 647 HG12 VAL 85 HG12 VAL 85 171.828 4.029 3.438 648 HG13 VAL 85 HG13 VAL 85 171.234 4.723 4.947 649 HG21 VAL 85 HG21 VAL 85 168.265 4.036 4.717 650 HG22 VAL 85 HG22 VAL 85 169.364 3.859 6.084 651 HG23 VAL 85 HG23 VAL 85 168.463 2.464 5.494 652 H ILE 86 H ILE 86 167.959 1.006 4.229 653 HA ILE 86 HA ILE 86 165.589 2.479 3.314 654 HB ILE 86 HB ILE 86 165.671 -0.533 3.420 655 HG12 ILE 86 HG12 ILE 86 167.041 0.346 1.574 656 HG13 ILE 86 HG13 ILE 86 165.604 -0.493 0.997 657 HG21 ILE 86 HG21 ILE 86 163.518 0.086 1.940 658 HG22 ILE 86 HG22 ILE 86 163.565 1.492 3.003 659 HG23 ILE 86 HG23 ILE 86 163.464 -0.129 3.690 660 HD11 ILE 86 HD11 ILE 86 165.116 1.270 -0.217 661 HD12 ILE 86 HD12 ILE 86 166.468 2.165 0.476 662 HD13 ILE 86 HD13 ILE 86 164.890 2.198 1.265 663 H LYS 87 H LYS 87 164.821 3.295 5.127 664 HA LYS 87 HA LYS 87 164.832 1.670 7.569 665 HB2 LYS 87 HB2 LYS 87 165.788 4.118 7.354 666 HB3 LYS 87 HB3 LYS 87 164.102 4.570 7.548 667 HG2 LYS 87 HG2 LYS 87 165.022 2.606 9.506 668 HG3 LYS 87 HG3 LYS 87 165.877 4.149 9.578 669 HD2 LYS 87 HD2 LYS 87 164.153 4.817 10.849 670 HD3 LYS 87 HD3 LYS 87 163.282 4.956 9.322 671 HE2 LYS 87 HE2 LYS 87 162.323 2.783 9.592 672 HE3 LYS 87 HE3 LYS 87 163.347 2.447 10.988 673 HZ1 LYS 87 HZ1 LYS 87 162.211 4.304 12.138 674 HZ2 LYS 87 HZ2 LYS 87 161.179 3.019 11.754 675 HZ3 LYS 87 HZ3 LYS 87 161.149 4.433 10.827 676 H ASP 88 H ASP 88 163.010 0.503 6.396 677 HA ASP 88 HA ASP 88 160.809 -0.064 6.329 678 HB2 ASP 88 HB2 ASP 88 160.927 0.584 8.746 679 HB3 ASP 88 HB3 ASP 88 160.388 2.198 8.292 680 H GLY 89 H GLY 89 161.226 1.006 4.115 681 HA2 GLY 89 HA2 GLY 89 160.214 2.097 2.356 682 HA3 GLY 89 HA3 GLY 89 158.904 2.516 3.450 683 H LEU 90 H LEU 90 162.187 3.372 4.193 684 HA LEU 90 HA LEU 90 161.824 6.102 3.213 685 HB2 LEU 90 HB2 LEU 90 162.710 5.691 6.048 686 HB3 LEU 90 HB3 LEU 90 162.107 7.152 5.282 687 HG LEU 90 HG LEU 90 160.391 4.732 5.761 688 HD11 LEU 90 HD11 LEU 90 159.625 5.643 7.780 689 HD12 LEU 90 HD12 LEU 90 160.389 7.202 7.470 690 HD13 LEU 90 HD13 LEU 90 161.380 5.797 7.864 691 HD21 LEU 90 HD21 LEU 90 159.949 6.764 4.085 692 HD22 LEU 90 HD22 LEU 90 159.320 7.482 5.570 693 HD23 LEU 90 HD23 LEU 90 158.657 5.959 4.977 694 H GLY 91 H GLY 91 163.451 5.157 1.791 695 HA2 GLY 91 HA2 GLY 91 166.024 4.645 2.939 696 HA3 GLY 91 HA3 GLY 91 165.598 4.464 1.256 697 H TYR 92 H TYR 92 167.959 5.532 2.061 698 HA TYR 92 HA TYR 92 167.880 8.138 0.800 699 HB2 TYR 92 HB2 TYR 92 169.034 7.755 3.579 700 HB3 TYR 92 HB3 TYR 92 169.262 9.191 2.584 701 HD1 TYR 92 HD1 TYR 92 166.780 7.211 4.469 702 HD2 TYR 92 HD2 TYR 92 167.563 10.858 2.423 703 HE1 TYR 92 HE1 TYR 92 164.711 8.165 5.391 704 HE2 TYR 92 HE2 TYR 92 165.495 11.822 3.339 705 HH TYR 92 HH TYR 92 163.317 11.004 4.229 706 H ARG 93 H ARG 93 169.954 8.635 -0.184 707 HA ARG 93 HA ARG 93 171.870 6.431 0.083 708 HB2 ARG 93 HB2 ARG 93 172.375 6.618 -2.307 709 HB3 ARG 93 HB3 ARG 93 170.687 6.194 -2.015 710 HG2 ARG 93 HG2 ARG 93 170.449 8.858 -2.161 711 HG3 ARG 93 HG3 ARG 93 171.850 8.624 -3.208 712 HD2 ARG 93 HD2 ARG 93 170.223 8.340 -4.765 713 HD3 ARG 93 HD3 ARG 93 170.307 6.682 -4.171 714 HE ARG 93 HE ARG 93 168.218 6.932 -3.255 715 HH11 ARG 93 HH11 ARG 93 169.449 10.067 -4.165 716 HH12 ARG 93 HH12 ARG 93 167.942 10.876 -3.893 717 HH21 ARG 93 HH21 ARG 93 166.235 7.994 -2.897 718 HH22 ARG 93 HH22 ARG 93 166.119 9.700 -3.173 719 H GLN 94 H GLN 94 173.974 6.836 0.077 720 HA GLN 94 HA GLN 94 174.783 9.645 0.251 721 HB2 GLN 94 HB2 GLN 94 175.402 8.282 2.183 722 HB3 GLN 94 HB3 GLN 94 176.196 7.116 1.133 723 HG2 GLN 94 HG2 GLN 94 177.443 9.460 0.467 724 HG3 GLN 94 HG3 GLN 94 177.164 9.646 2.198 725 HE21 GLN 94 HE21 GLN 94 179.575 9.080 0.418 726 HE22 GLN 94 HE22 GLN 94 180.357 7.752 1.200 727 H ASP 95 H ASP 95 174.553 9.760 -2.078 728 HA ASP 95 HA ASP 95 176.359 8.220 -3.716 729 HB2 ASP 95 HB2 ASP 95 175.432 9.560 -5.577 730 HB3 ASP 95 HB3 ASP 95 174.178 8.806 -4.601 731 H ASN 96 H ASN 96 177.475 9.674 -5.512 732 HA ASN 96 HA ASN 96 179.264 10.979 -6.007 733 HB2 ASN 96 HB2 ASN 96 177.661 12.785 -5.575 734 HB3 ASN 96 HB3 ASN 96 178.077 12.751 -3.865 735 HD21 ASN 96 HD21 ASN 96 179.802 13.871 -3.169 736 HD22 ASN 96 HD22 ASN 96 180.861 14.777 -4.189 737 H GLY 97 H GLY 97 179.290 9.028 -3.619 738 HA2 GLY 97 HA2 GLY 97 181.315 10.152 -1.889 739 HA3 GLY 97 HA3 GLY 97 180.684 8.514 -1.824 740 H GLU 98 H GLU 98 183.370 9.038 -1.515 741 HA GLU 98 HA GLU 98 184.441 7.481 -3.706 742 HB2 GLU 98 HB2 GLU 98 186.253 9.023 -4.231 743 HB3 GLU 98 HB3 GLU 98 184.694 9.778 -4.532 744 HG2 GLU 98 HG2 GLU 98 184.876 10.930 -2.354 745 HG3 GLU 98 HG3 GLU 98 186.487 10.239 -2.159 746 H TRP 99 H TRP 99 186.592 6.680 -3.295 747 HA TRP 99 HA TRP 99 187.648 7.005 -0.611 748 HB2 TRP 99 HB2 TRP 99 186.073 5.190 -0.286 749 HB3 TRP 99 HB3 TRP 99 186.724 4.333 -1.676 750 HD1 TRP 99 HD1 TRP 99 188.042 5.588 1.762 751 HE1 TRP 99 HE1 TRP 99 189.726 3.842 2.631 752 HE3 TRP 99 HE3 TRP 99 187.968 2.369 -2.188 753 HZ2 TRP 99 HZ2 TRP 99 190.869 1.415 1.739 754 HZ3 TRP 99 HZ3 TRP 99 189.376 0.358 -2.113 755 HH2 TRP 99 HH2 TRP 99 190.792 -0.107 -0.189 756 H THR 100 H THR 100 189.777 5.812 -0.392 757 HA THR 100 HA THR 100 191.205 5.999 -2.958 758 HB THR 100 HB THR 100 191.792 7.513 -1.003 759 HG1 THR 100 HG1 THR 100 193.230 6.896 -2.792 760 HG21 THR 100 HG21 THR 100 193.633 5.768 0.263 761 HG22 THR 100 HG22 THR 100 192.029 5.044 0.381 762 HG23 THR 100 HG23 THR 100 192.307 6.681 0.981 763 H VAL 101 H VAL 101 192.976 4.591 -3.375 764 HA VAL 101 HA VAL 101 192.779 1.970 -2.033 765 HB VAL 101 HB VAL 101 193.695 2.285 -4.883 766 HG11 VAL 101 HG11 VAL 101 193.873 0.193 -3.165 767 HG12 VAL 101 HG12 VAL 101 193.799 0.038 -4.920 768 HG13 VAL 101 HG13 VAL 101 192.335 -0.150 -3.957 769 HG21 VAL 101 HG21 VAL 101 191.504 3.135 -5.023 770 HG22 VAL 101 HG22 VAL 101 190.889 1.982 -3.840 771 HG23 VAL 101 HG23 VAL 101 191.351 1.430 -5.450 772 H THR 102 H THR 102 194.689 4.634 -2.491 773 HA THR 102 HA THR 102 197.241 3.587 -2.979 774 HB THR 102 HB THR 102 196.542 6.013 -1.321 775 HG1 THR 102 HG1 THR 102 195.561 6.263 -3.280 776 HG21 THR 102 HG21 THR 102 198.938 5.289 -1.291 777 HG22 THR 102 HG22 THR 102 198.644 6.909 -1.922 778 HG23 THR 102 HG23 THR 102 198.971 5.578 -3.030 779 H GLU 103 H GLU 103 195.242 3.281 -0.234 780 HA GLU 103 HA GLU 103 197.553 2.574 1.444 781 HB2 GLU 103 HB2 GLU 103 195.011 3.902 1.988 782 HB3 GLU 103 HB3 GLU 103 195.334 2.580 3.102 783 HG2 GLU 103 HG2 GLU 103 196.464 4.114 4.260 784 HG3 GLU 103 HG3 GLU 103 197.736 3.842 3.068 785 H PHE 104 H PHE 104 197.319 0.691 2.851 786 HA PHE 104 HA PHE 104 195.386 -1.297 1.905 787 HB2 PHE 104 HB2 PHE 104 198.374 -1.521 1.841 788 HB3 PHE 104 HB3 PHE 104 197.407 -2.964 2.128 789 HD1 PHE 104 HD1 PHE 104 195.291 -3.071 0.407 790 HD2 PHE 104 HD2 PHE 104 199.048 -1.210 -0.318 791 HE1 PHE 104 HE1 PHE 104 194.937 -3.310 -2.017 792 HE2 PHE 104 HE2 PHE 104 198.702 -1.445 -2.743 793 HZ PHE 104 HZ PHE 104 196.644 -2.497 -3.598 794 H VAL 105 H VAL 105 194.469 -2.385 3.542 795 HA VAL 105 HA VAL 105 195.542 -1.914 6.215 796 HB VAL 105 HB VAL 105 193.375 -2.558 7.086 797 HG11 VAL 105 HG11 VAL 105 192.488 -0.788 4.909 798 HG12 VAL 105 HG12 VAL 105 193.935 -0.262 5.768 799 HG13 VAL 105 HG13 VAL 105 192.441 -0.556 6.657 800 HG21 VAL 105 HG21 VAL 105 191.907 -3.809 5.970 801 HG22 VAL 105 HG22 VAL 105 193.106 -3.963 4.685 802 HG23 VAL 105 HG23 VAL 105 191.891 -2.686 4.609 803 H ASN 106 H ASN 106 194.795 -3.784 7.764 804 HA ASN 106 HA ASN 106 196.270 -6.139 6.899 805 HB2 ASN 106 HB2 ASN 106 196.450 -4.781 9.168 806 HB3 ASN 106 HB3 ASN 106 195.139 -5.856 9.636 807 HD21 ASN 106 HD21 ASN 106 195.839 -7.505 10.743 808 HD22 ASN 106 HD22 ASN 106 197.307 -8.371 10.476 809 H GLU 107 H GLU 107 195.507 -8.262 7.181 810 HA GLU 107 HA GLU 107 192.878 -8.732 6.340 811 HB2 GLU 107 HB2 GLU 107 195.119 -10.369 7.357 812 HB3 GLU 107 HB3 GLU 107 193.522 -11.066 7.591 813 HG2 GLU 107 HG2 GLU 107 193.227 -11.464 5.399 814 HG3 GLU 107 HG3 GLU 107 194.061 -9.990 4.907 815 H ASP 108 H ASP 108 194.169 -7.855 9.352 816 HA ASP 108 HA ASP 108 192.190 -9.031 11.048 817 HB2 ASP 108 HB2 ASP 108 194.406 -8.337 11.889 818 HB3 ASP 108 HB3 ASP 108 194.005 -6.657 11.543 819 H GLY 109 H GLY 109 192.470 -6.072 9.196 820 HA2 GLY 109 HA2 GLY 109 190.309 -5.126 8.488 821 HA3 GLY 109 HA3 GLY 109 189.770 -5.333 10.145 822 H THR 110 H THR 110 193.013 -4.211 9.734 823 HA THR 110 HA THR 110 192.134 -1.428 9.971 824 HB THR 110 HB THR 110 193.330 -0.936 11.889 825 HG1 THR 110 HG1 THR 110 195.188 -1.838 12.170 826 HG21 THR 110 HG21 THR 110 192.265 -2.074 13.513 827 HG22 THR 110 HG22 THR 110 192.688 -3.651 12.843 828 HG23 THR 110 HG23 THR 110 191.362 -2.722 12.143 829 HA PRO 111 HA PRO 111 195.292 -0.309 7.221 830 HB2 PRO 111 HB2 PRO 111 196.056 1.856 9.101 831 HB3 PRO 111 HB3 PRO 111 195.526 1.961 7.418 832 HG2 PRO 111 HG2 PRO 111 193.910 2.670 9.433 833 HG3 PRO 111 HG3 PRO 111 193.284 1.873 7.979 834 HD2 PRO 111 HD2 PRO 111 193.780 0.733 10.696 835 HD3 PRO 111 HD3 PRO 111 192.481 0.381 9.554 836 H ALA 112 H ALA 112 197.139 -1.381 6.967 837 HA ALA 112 HA ALA 112 199.498 -0.895 8.276 838 HB1 ALA 112 HB1 ALA 112 199.489 -3.264 9.535 839 HB2 ALA 112 HB2 ALA 112 197.787 -2.831 9.710 840 HB3 ALA 112 HB3 ALA 112 199.042 -1.751 10.323 841 H ASP 113 H ASP 113 199.901 -1.123 5.991 842 HA ASP 113 HA ASP 113 200.266 -3.931 5.169 843 HB2 ASP 113 HB2 ASP 113 198.624 -2.645 3.793 844 HB3 ASP 113 HB3 ASP 113 199.919 -1.536 3.353 845 H THR 114 H THR 114 202.334 -4.141 6.018 846 HA THR 114 HA THR 114 204.418 -2.291 5.725 847 HB THR 114 HB THR 114 204.519 -4.094 7.354 848 HG1 THR 114 HG1 THR 114 206.559 -4.340 5.399 849 HG21 THR 114 HG21 THR 114 205.414 -6.285 5.835 850 HG22 THR 114 HG22 THR 114 203.874 -5.769 5.147 851 HG23 THR 114 HG23 THR 114 203.983 -6.175 6.860 852 H SER 115 H SER 115 204.518 -1.527 3.617 853 HA SER 115 HA SER 115 205.095 -1.467 1.411 854 HB2 SER 115 HB2 SER 115 207.196 -2.477 2.793 855 HB3 SER 115 HB3 SER 115 206.923 -3.782 1.638 856 HG SER 115 HG SER 115 207.598 -2.539 0.070 857 H LEU 116 H LEU 116 205.818 -3.279 -0.465 858 HA LEU 116 HA LEU 116 203.612 -5.229 -0.493 859 HB2 LEU 116 HB2 LEU 116 203.432 -3.078 -1.965 860 HB3 LEU 116 HB3 LEU 116 204.576 -3.911 -3.002 861 HG LEU 116 HG LEU 116 202.035 -5.266 -2.170 862 HD11 LEU 116 HD11 LEU 116 201.005 -3.438 -3.074 863 HD12 LEU 116 HD12 LEU 116 201.289 -4.384 -4.536 864 HD13 LEU 116 HD13 LEU 116 202.368 -3.050 -4.124 865 HD21 LEU 116 HD21 LEU 116 203.705 -6.637 -3.238 866 HD22 LEU 116 HD22 LEU 116 203.861 -5.479 -4.560 867 HD23 LEU 116 HD23 LEU 116 202.361 -6.384 -4.351 868 H GLU 117 H GLU 117 205.531 -6.507 0.377 869 HA GLU 117 HA GLU 117 206.759 -7.893 -1.882 870 HB2 GLU 117 HB2 GLU 117 208.286 -6.764 0.466 871 HB3 GLU 117 HB3 GLU 117 208.938 -7.990 -0.612 872 HG2 GLU 117 HG2 GLU 117 209.136 -6.535 -2.373 873 HG3 GLU 117 HG3 GLU 117 207.879 -5.458 -1.766 874 HA PRO 118 HA PRO 118 205.387 -11.311 0.623 875 HB2 PRO 118 HB2 PRO 118 206.435 -13.323 -0.842 876 HB3 PRO 118 HB3 PRO 118 205.028 -12.398 -1.378 877 HG2 PRO 118 HG2 PRO 118 207.898 -12.115 -2.183 878 HG3 PRO 118 HG3 PRO 118 206.443 -12.078 -3.196 879 HD2 PRO 118 HD2 PRO 118 207.743 -9.831 -2.385 880 HD3 PRO 118 HD3 PRO 118 205.995 -9.880 -2.690 Start of MODEL 4 1 H GLN 6 H GLN 6 162.271 14.186 9.050 2 HA GLN 6 HA GLN 6 163.213 12.127 8.943 3 HB2 GLN 6 HB2 GLN 6 163.184 13.822 6.570 4 HB3 GLN 6 HB3 GLN 6 164.264 12.444 6.390 5 HG2 GLN 6 HG2 GLN 6 162.182 11.752 5.557 6 HG3 GLN 6 HG3 GLN 6 162.344 10.994 7.140 7 HE21 GLN 6 HE21 GLN 6 159.974 11.706 5.508 8 HE22 GLN 6 HE22 GLN 6 158.981 12.666 6.545 9 H TYR 7 H TYR 7 165.086 10.759 8.195 10 HA TYR 7 HA TYR 7 167.549 11.899 9.275 11 HB2 TYR 7 HB2 TYR 7 166.657 9.743 10.150 12 HB3 TYR 7 HB3 TYR 7 166.955 9.015 8.583 13 HD1 TYR 7 HD1 TYR 7 168.840 11.098 11.059 14 HD2 TYR 7 HD2 TYR 7 168.854 7.723 8.469 15 HE1 TYR 7 HE1 TYR 7 171.131 10.567 11.775 16 HE2 TYR 7 HE2 TYR 7 171.146 7.182 9.179 17 HH TYR 7 HH TYR 7 172.634 8.651 11.870 18 H VAL 8 H VAL 8 169.570 10.834 8.241 19 HA VAL 8 HA VAL 8 169.373 11.069 5.309 20 HB VAL 8 HB VAL 8 171.681 12.035 6.997 21 HG11 VAL 8 HG11 VAL 8 172.534 11.537 4.885 22 HG12 VAL 8 HG12 VAL 8 172.178 13.263 4.796 23 HG13 VAL 8 HG13 VAL 8 171.077 12.095 4.062 24 HG21 VAL 8 HG21 VAL 8 169.653 13.754 5.586 25 HG22 VAL 8 HG22 VAL 8 170.914 14.259 6.713 26 HG23 VAL 8 HG23 VAL 8 169.535 13.325 7.293 27 H VAL 9 H VAL 9 171.202 10.039 4.147 28 HA VAL 9 HA VAL 9 171.570 7.370 5.003 29 HB VAL 9 HB VAL 9 171.535 7.950 2.635 30 HG11 VAL 9 HG11 VAL 9 174.093 8.920 2.095 31 HG12 VAL 9 HG12 VAL 9 173.507 9.887 3.448 32 HG13 VAL 9 HG13 VAL 9 172.569 9.795 1.958 33 HG21 VAL 9 HG21 VAL 9 172.631 5.902 3.110 34 HG22 VAL 9 HG22 VAL 9 174.102 6.729 3.625 35 HG23 VAL 9 HG23 VAL 9 173.632 6.742 1.926 36 HA PRO 10 HA PRO 10 175.099 7.823 7.660 37 HB2 PRO 10 HB2 PRO 10 176.079 5.281 7.485 38 HB3 PRO 10 HB3 PRO 10 174.686 5.727 8.474 39 HG2 PRO 10 HG2 PRO 10 174.762 4.487 5.753 40 HG3 PRO 10 HG3 PRO 10 173.715 4.101 7.129 41 HD2 PRO 10 HD2 PRO 10 172.864 5.596 5.055 42 HD3 PRO 10 HD3 PRO 10 172.299 5.881 6.712 43 H SER 11 H SER 11 177.503 6.683 7.530 44 HA SER 11 HA SER 11 178.577 7.637 4.971 45 HB2 SER 11 HB2 SER 11 179.193 8.789 7.180 46 HB3 SER 11 HB3 SER 11 180.152 7.349 7.514 47 HG SER 11 HG SER 11 181.412 7.788 5.746 48 H ALA 12 H ALA 12 179.243 6.119 3.619 49 HA ALA 12 HA ALA 12 179.767 3.442 4.542 50 HB1 ALA 12 HB1 ALA 12 178.955 3.049 2.509 51 HB2 ALA 12 HB2 ALA 12 180.517 3.565 1.874 52 HB3 ALA 12 HB3 ALA 12 179.195 4.726 2.017 53 H LYS 13 H LYS 13 181.622 3.035 5.538 54 HA LYS 13 HA LYS 13 184.053 4.450 4.858 55 HB2 LYS 13 HB2 LYS 13 183.172 3.395 7.180 56 HB3 LYS 13 HB3 LYS 13 184.156 2.055 6.607 57 HG2 LYS 13 HG2 LYS 13 185.444 4.685 6.435 58 HG3 LYS 13 HG3 LYS 13 185.079 4.136 8.072 59 HD2 LYS 13 HD2 LYS 13 186.207 1.971 7.494 60 HD3 LYS 13 HD3 LYS 13 186.721 2.716 5.979 61 HE2 LYS 13 HE2 LYS 13 187.511 4.589 7.773 62 HE3 LYS 13 HE3 LYS 13 187.707 3.116 8.722 63 HZ1 LYS 13 HZ1 LYS 13 188.760 3.155 5.988 64 HZ2 LYS 13 HZ2 LYS 13 189.336 2.338 7.352 65 HZ3 LYS 13 HZ3 LYS 13 189.613 3.998 7.181 66 H LEU 14 H LEU 14 186.031 3.332 4.195 67 HA LEU 14 HA LEU 14 185.647 0.712 2.976 68 HB2 LEU 14 HB2 LEU 14 186.560 3.115 1.403 69 HB3 LEU 14 HB3 LEU 14 186.545 1.465 0.814 70 HG LEU 14 HG LEU 14 183.969 1.654 1.464 71 HD11 LEU 14 HD11 LEU 14 183.047 3.779 1.251 72 HD12 LEU 14 HD12 LEU 14 184.516 4.451 0.544 73 HD13 LEU 14 HD13 LEU 14 184.468 4.049 2.260 74 HD21 LEU 14 HD21 LEU 14 183.634 1.537 -0.753 75 HD22 LEU 14 HD22 LEU 14 185.396 1.505 -0.841 76 HD23 LEU 14 HD23 LEU 14 184.529 3.025 -1.069 77 H GLU 15 H GLU 15 187.537 -0.418 2.520 78 HA GLU 15 HA GLU 15 190.108 0.780 3.161 79 HB2 GLU 15 HB2 GLU 15 188.833 -1.422 4.762 80 HB3 GLU 15 HB3 GLU 15 190.581 -1.270 4.662 81 HG2 GLU 15 HG2 GLU 15 190.562 0.831 5.726 82 HG3 GLU 15 HG3 GLU 15 188.816 0.990 5.543 83 H ALA 16 H ALA 16 191.830 -0.239 2.127 84 HA ALA 16 HA ALA 16 191.049 -2.130 0.062 85 HB1 ALA 16 HB1 ALA 16 193.889 -1.447 0.256 86 HB2 ALA 16 HB2 ALA 16 192.814 -0.059 0.086 87 HB3 ALA 16 HB3 ALA 16 192.785 -1.349 -1.115 88 H ILE 17 H ILE 17 191.037 -4.222 0.437 89 HA ILE 17 HA ILE 17 192.689 -5.372 2.537 90 HB ILE 17 HB ILE 17 190.746 -6.825 0.745 91 HG12 ILE 17 HG12 ILE 17 189.583 -4.971 1.846 92 HG13 ILE 17 HG13 ILE 17 189.076 -6.516 2.524 93 HG21 ILE 17 HG21 ILE 17 191.894 -8.483 1.809 94 HG22 ILE 17 HG22 ILE 17 190.651 -8.166 3.020 95 HG23 ILE 17 HG23 ILE 17 192.264 -7.480 3.213 96 HD11 ILE 17 HD11 ILE 17 189.369 -5.399 4.456 97 HD12 ILE 17 HD12 ILE 17 190.553 -4.288 3.765 98 HD13 ILE 17 HD13 ILE 17 191.040 -5.917 4.232 99 H TYR 18 H TYR 18 194.496 -6.511 2.210 100 HA TYR 18 HA TYR 18 195.422 -6.879 -0.530 101 HB2 TYR 18 HB2 TYR 18 196.729 -5.981 1.661 102 HB3 TYR 18 HB3 TYR 18 197.149 -7.689 1.735 103 HD1 TYR 18 HD1 TYR 18 196.871 -5.100 -0.957 104 HD2 TYR 18 HD2 TYR 18 199.202 -8.179 0.825 105 HE1 TYR 18 HE1 TYR 18 198.628 -4.734 -2.636 106 HE2 TYR 18 HE2 TYR 18 200.967 -7.822 -0.849 107 HH TYR 18 HH TYR 18 200.993 -5.111 -2.941 108 HA PRO 19 HA PRO 19 196.679 -7.915 -1.660 109 HB2 PRO 19 HB2 PRO 19 197.012 -9.768 -3.547 110 HB3 PRO 19 HB3 PRO 19 197.971 -9.798 -2.063 111 HG2 PRO 19 HG2 PRO 19 195.699 -11.522 -2.879 112 HG3 PRO 19 HG3 PRO 19 197.083 -11.900 -1.842 113 HD2 PRO 19 HD2 PRO 19 194.454 -11.167 -1.027 114 HD3 PRO 19 HD3 PRO 19 195.871 -11.411 0.006 115 H ARG 20 H ARG 20 193.603 -9.250 -1.636 116 HA ARG 20 HA ARG 20 192.678 -7.484 -3.646 117 HB2 ARG 20 HB2 ARG 20 191.600 -9.313 -5.027 118 HB3 ARG 20 HB3 ARG 20 193.341 -9.143 -5.202 119 HG2 ARG 20 HG2 ARG 20 193.151 -10.970 -3.181 120 HG3 ARG 20 HG3 ARG 20 191.759 -11.378 -4.187 121 HD2 ARG 20 HD2 ARG 20 193.165 -11.630 -6.122 122 HD3 ARG 20 HD3 ARG 20 194.568 -11.043 -5.229 123 HE ARG 20 HE ARG 20 194.817 -13.126 -4.306 124 HH11 ARG 20 HH11 ARG 20 191.668 -12.909 -5.796 125 HH12 ARG 20 HH12 ARG 20 191.325 -14.597 -5.609 126 HH21 ARG 20 HH21 ARG 20 194.368 -15.346 -4.059 127 HH22 ARG 20 HH22 ARG 20 192.858 -15.980 -4.624 128 H GLY 21 H GLY 21 191.289 -6.662 -2.152 129 HA2 GLY 21 HA2 GLY 21 188.821 -8.020 -1.772 130 HA3 GLY 21 HA3 GLY 21 189.755 -8.015 -0.292 131 H LEU 22 H LEU 22 187.374 -6.799 -0.188 132 HA LEU 22 HA LEU 22 188.128 -4.007 0.162 133 HB2 LEU 22 HB2 LEU 22 186.953 -4.519 -2.137 134 HB3 LEU 22 HB3 LEU 22 185.502 -4.541 -1.156 135 HG LEU 22 HG LEU 22 185.751 -2.357 -2.120 136 HD11 LEU 22 HD11 LEU 22 185.316 -1.136 -0.245 137 HD12 LEU 22 HD12 LEU 22 186.662 -1.832 0.657 138 HD13 LEU 22 HD13 LEU 22 185.180 -2.761 0.427 139 HD21 LEU 22 HD21 LEU 22 187.685 -0.971 -1.798 140 HD22 LEU 22 HD22 LEU 22 188.202 -2.511 -2.487 141 HD23 LEU 22 HD23 LEU 22 188.439 -2.188 -0.768 142 H ARG 23 H ARG 23 187.314 -3.170 1.980 143 HA ARG 23 HA ARG 23 185.144 -4.643 3.327 144 HB2 ARG 23 HB2 ARG 23 187.326 -4.864 4.470 145 HB3 ARG 23 HB3 ARG 23 187.418 -3.113 4.608 146 HG2 ARG 23 HG2 ARG 23 184.956 -3.770 5.714 147 HG3 ARG 23 HG3 ARG 23 186.054 -5.030 6.280 148 HD2 ARG 23 HD2 ARG 23 187.585 -3.346 7.126 149 HD3 ARG 23 HD3 ARG 23 186.552 -2.063 6.498 150 HE ARG 23 HE ARG 23 185.223 -3.833 8.333 151 HH11 ARG 23 HH11 ARG 23 187.186 -0.963 8.034 152 HH12 ARG 23 HH12 ARG 23 186.674 -0.303 9.550 153 HH21 ARG 23 HH21 ARG 23 184.548 -2.965 10.330 154 HH22 ARG 23 HH22 ARG 23 185.180 -1.439 10.855 155 H VAL 24 H VAL 24 183.336 -3.527 3.690 156 HA VAL 24 HA VAL 24 183.493 -0.586 3.740 157 HB VAL 24 HB VAL 24 181.301 -2.227 2.467 158 HG11 VAL 24 HG11 VAL 24 181.610 0.680 3.040 159 HG12 VAL 24 HG12 VAL 24 180.177 -0.342 3.137 160 HG13 VAL 24 HG13 VAL 24 180.779 0.186 1.566 161 HG21 VAL 24 HG21 VAL 24 182.880 -0.340 0.851 162 HG22 VAL 24 HG22 VAL 24 182.258 -1.940 0.448 163 HG23 VAL 24 HG23 VAL 24 183.737 -1.781 1.396 164 H SER 25 H SER 25 181.910 0.504 4.997 165 HA SER 25 HA SER 25 180.140 -1.054 6.687 166 HB2 SER 25 HB2 SER 25 181.830 0.783 8.269 167 HB3 SER 25 HB3 SER 25 181.198 -0.811 8.682 168 HG SER 25 HG SER 25 183.448 -0.889 8.457 169 H ILE 26 H ILE 26 178.461 0.142 7.564 170 HA ILE 26 HA ILE 26 178.450 3.054 7.148 171 HB ILE 26 HB ILE 26 176.167 2.932 6.164 172 HG12 ILE 26 HG12 ILE 26 176.309 0.303 5.061 173 HG13 ILE 26 HG13 ILE 26 176.473 0.176 6.807 174 HG21 ILE 26 HG21 ILE 26 178.542 1.818 4.729 175 HG22 ILE 26 HG22 ILE 26 177.805 3.417 4.602 176 HG23 ILE 26 HG23 ILE 26 177.000 2.016 3.899 177 HD11 ILE 26 HD11 ILE 26 174.260 1.674 5.433 178 HD12 ILE 26 HD12 ILE 26 174.392 1.290 7.149 179 HD13 ILE 26 HD13 ILE 26 174.143 -0.000 5.973 180 HA PRO 27 HA PRO 27 176.864 2.700 11.371 181 HB2 PRO 27 HB2 PRO 27 175.873 5.404 10.562 182 HB3 PRO 27 HB3 PRO 27 176.667 4.902 12.060 183 HG2 PRO 27 HG2 PRO 27 178.022 6.211 10.177 184 HG3 PRO 27 HG3 PRO 27 178.776 4.899 11.097 185 HD2 PRO 27 HD2 PRO 27 177.828 4.933 8.283 186 HD3 PRO 27 HD3 PRO 27 179.143 4.000 9.022 187 H ASP 28 H ASP 28 175.124 1.433 11.606 188 HA ASP 28 HA ASP 28 172.789 1.716 9.954 189 HB2 ASP 28 HB2 ASP 28 173.594 -0.505 10.657 190 HB3 ASP 28 HB3 ASP 28 173.278 -0.081 12.335 191 H ASP 29 H ASP 29 170.771 2.356 10.543 192 HA ASP 29 HA ASP 29 170.397 3.465 13.234 193 HB2 ASP 29 HB2 ASP 29 170.886 5.127 11.164 194 HB3 ASP 29 HB3 ASP 29 169.143 4.948 10.987 195 H GLY 30 H GLY 30 169.526 1.010 12.604 196 HA2 GLY 30 HA2 GLY 30 167.667 -0.315 12.624 197 HA3 GLY 30 HA3 GLY 30 166.772 1.132 13.050 198 H PHE 31 H PHE 31 168.650 0.599 10.120 199 HA PHE 31 HA PHE 31 166.551 1.520 8.457 200 HB2 PHE 31 HB2 PHE 31 169.072 0.030 7.699 201 HB3 PHE 31 HB3 PHE 31 168.043 0.936 6.593 202 HD1 PHE 31 HD1 PHE 31 167.492 3.363 8.146 203 HD2 PHE 31 HD2 PHE 31 171.100 1.149 7.726 204 HE1 PHE 31 HE1 PHE 31 168.791 5.396 8.626 205 HE2 PHE 31 HE2 PHE 31 172.404 3.175 8.208 206 HZ PHE 31 HZ PHE 31 171.251 5.302 8.658 207 H SER 32 H SER 32 167.703 -0.967 6.695 208 HA SER 32 HA SER 32 166.383 -3.250 7.513 209 HB2 SER 32 HB2 SER 32 164.504 -1.332 6.835 210 HB3 SER 32 HB3 SER 32 164.652 -2.281 5.358 211 HG SER 32 HG SER 32 164.260 -4.153 6.643 212 H LEU 33 H LEU 33 167.344 -1.149 4.849 213 HA LEU 33 HA LEU 33 168.561 -3.519 3.595 214 HB2 LEU 33 HB2 LEU 33 166.299 -2.888 2.501 215 HB3 LEU 33 HB3 LEU 33 167.177 -1.523 1.865 216 HG LEU 33 HG LEU 33 168.873 -3.277 1.009 217 HD11 LEU 33 HD11 LEU 33 167.303 -5.030 2.313 218 HD12 LEU 33 HD12 LEU 33 168.296 -5.450 0.916 219 HD13 LEU 33 HD13 LEU 33 166.580 -5.100 0.705 220 HD21 LEU 33 HD21 LEU 33 167.980 -2.997 -1.045 221 HD22 LEU 33 HD22 LEU 33 166.958 -1.844 -0.184 222 HD23 LEU 33 HD23 LEU 33 166.360 -3.466 -0.531 223 H PHE 34 H PHE 34 170.595 -3.176 3.056 224 HA PHE 34 HA PHE 34 171.484 -0.409 2.601 225 HB2 PHE 34 HB2 PHE 34 172.456 -1.164 4.645 226 HB3 PHE 34 HB3 PHE 34 172.894 -2.708 3.942 227 HD1 PHE 34 HD1 PHE 34 173.390 0.757 2.694 228 HD2 PHE 34 HD2 PHE 34 175.196 -2.867 3.998 229 HE1 PHE 34 HE1 PHE 34 175.598 1.641 2.076 230 HE2 PHE 34 HE2 PHE 34 177.411 -1.989 3.384 231 HZ PHE 34 HZ PHE 34 177.614 0.267 2.420 232 H ALA 35 H ALA 35 171.354 -0.411 0.377 233 HA ALA 35 HA ALA 35 172.681 -2.537 -1.120 234 HB1 ALA 35 HB1 ALA 35 170.434 -0.935 -1.612 235 HB2 ALA 35 HB2 ALA 35 171.169 -2.116 -2.694 236 HB3 ALA 35 HB3 ALA 35 171.655 -0.424 -2.777 237 H PHE 36 H PHE 36 174.738 -2.348 -1.677 238 HA PHE 36 HA PHE 36 175.953 0.327 -1.712 239 HB2 PHE 36 HB2 PHE 36 176.890 -1.360 -0.138 240 HB3 PHE 36 HB3 PHE 36 177.314 -2.366 -1.518 241 HD1 PHE 36 HD1 PHE 36 177.806 1.115 -0.281 242 HD2 PHE 36 HD2 PHE 36 179.448 -2.224 -2.340 243 HE1 PHE 36 HE1 PHE 36 179.957 2.293 -0.465 244 HE2 PHE 36 HE2 PHE 36 181.603 -1.053 -2.529 245 HZ PHE 36 HZ PHE 36 181.860 1.210 -1.591 246 H HIS 37 H HIS 37 176.609 1.193 -3.575 247 HA HIS 37 HA HIS 37 177.076 -0.565 -5.888 248 HB2 HIS 37 HB2 HIS 37 175.076 1.430 -5.536 249 HB3 HIS 37 HB3 HIS 37 176.241 2.038 -6.691 250 HD1 HIS 37 HD1 HIS 37 175.773 -1.615 -6.751 251 HD2 HIS 37 HD2 HIS 37 174.129 1.700 -8.634 252 HE1 HIS 37 HE1 HIS 37 174.485 -2.523 -8.707 253 HE2 HIS 37 HE2 HIS 37 173.434 -0.505 -9.784 254 H GLY 38 H GLY 38 179.175 -0.329 -6.626 255 HA2 GLY 38 HA2 GLY 38 180.325 2.342 -6.647 256 HA3 GLY 38 HA3 GLY 38 181.075 1.248 -5.501 257 H LYS 39 H LYS 39 181.914 2.632 -8.064 258 HA LYS 39 HA LYS 39 182.966 0.245 -9.430 259 HB2 LYS 39 HB2 LYS 39 181.416 2.142 -10.587 260 HB3 LYS 39 HB3 LYS 39 183.010 2.828 -10.869 261 HG2 LYS 39 HG2 LYS 39 182.357 -0.012 -11.581 262 HG3 LYS 39 HG3 LYS 39 182.039 1.332 -12.679 263 HD2 LYS 39 HD2 LYS 39 184.602 1.850 -11.982 264 HD3 LYS 39 HD3 LYS 39 184.588 0.088 -11.894 265 HE2 LYS 39 HE2 LYS 39 183.289 1.246 -14.267 266 HE3 LYS 39 HE3 LYS 39 185.031 1.500 -14.160 267 HZ1 LYS 39 HZ1 LYS 39 184.091 -1.194 -13.604 268 HZ2 LYS 39 HZ2 LYS 39 185.456 -0.679 -14.458 269 HZ3 LYS 39 HZ3 LYS 39 183.940 -0.676 -15.207 270 H LEU 40 H LEU 40 185.143 0.228 -10.002 271 HA LEU 40 HA LEU 40 186.821 1.945 -8.362 272 HB2 LEU 40 HB2 LEU 40 187.158 -0.517 -8.444 273 HB3 LEU 40 HB3 LEU 40 187.595 -0.370 -10.136 274 HG LEU 40 HG LEU 40 189.519 1.057 -9.486 275 HD11 LEU 40 HD11 LEU 40 190.166 0.899 -7.030 276 HD12 LEU 40 HD12 LEU 40 188.484 0.457 -6.731 277 HD13 LEU 40 HD13 LEU 40 188.872 2.021 -7.448 278 HD21 LEU 40 HD21 LEU 40 189.591 -1.475 -9.744 279 HD22 LEU 40 HD22 LEU 40 189.602 -1.543 -7.981 280 HD23 LEU 40 HD23 LEU 40 190.909 -0.725 -8.840 281 H ASN 41 H ASN 41 188.096 3.537 -9.098 282 HA ASN 41 HA ASN 41 188.757 5.214 -10.499 283 HB2 ASN 41 HB2 ASN 41 190.198 4.451 -12.350 284 HB3 ASN 41 HB3 ASN 41 190.534 3.586 -10.855 285 HD21 ASN 41 HD21 ASN 41 189.567 3.348 -14.113 286 HD22 ASN 41 HD22 ASN 41 189.352 1.636 -14.165 287 H GLU 42 H GLU 42 186.284 5.449 -10.777 288 HA GLU 42 HA GLU 42 185.755 6.345 -13.336 289 HB2 GLU 42 HB2 GLU 42 185.693 3.976 -13.989 290 HB3 GLU 42 HB3 GLU 42 184.452 3.674 -12.780 291 HG2 GLU 42 HG2 GLU 42 182.935 5.179 -13.941 292 HG3 GLU 42 HG3 GLU 42 184.179 5.516 -15.141 293 H GLU 43 H GLU 43 184.636 8.006 -12.680 294 HA GLU 43 HA GLU 43 183.101 8.231 -10.382 295 HB2 GLU 43 HB2 GLU 43 182.704 9.812 -12.923 296 HB3 GLU 43 HB3 GLU 43 182.257 10.303 -11.294 297 HG2 GLU 43 HG2 GLU 43 184.584 10.385 -10.650 298 HG3 GLU 43 HG3 GLU 43 185.057 9.813 -12.243 299 H MET 44 H MET 44 180.684 9.297 -11.022 300 HA MET 44 HA MET 44 179.174 7.321 -12.532 301 HB2 MET 44 HB2 MET 44 178.042 7.899 -9.857 302 HB3 MET 44 HB3 MET 44 177.979 6.424 -10.811 303 HG2 MET 44 HG2 MET 44 180.266 5.900 -10.177 304 HG3 MET 44 HG3 MET 44 180.364 7.398 -9.255 305 HE1 MET 44 HE1 MET 44 177.785 4.413 -9.650 306 HE2 MET 44 HE2 MET 44 178.027 3.606 -8.099 307 HE3 MET 44 HE3 MET 44 179.348 3.690 -9.267 308 H ASP 45 H ASP 45 177.219 8.074 -13.292 309 HA ASP 45 HA ASP 45 176.512 10.843 -12.601 310 HB2 ASP 45 HB2 ASP 45 177.683 10.794 -14.762 311 HB3 ASP 45 HB3 ASP 45 176.523 9.620 -15.367 312 H GLY 46 H GLY 46 174.969 9.752 -11.173 313 HA2 GLY 46 HA2 GLY 46 172.726 9.469 -10.766 314 HA3 GLY 46 HA3 GLY 46 172.464 9.372 -12.484 315 H LEU 47 H LEU 47 172.869 7.698 -9.622 316 HA LEU 47 HA LEU 47 173.297 5.465 -9.130 317 HB2 LEU 47 HB2 LEU 47 170.847 5.010 -10.735 318 HB3 LEU 47 HB3 LEU 47 171.229 4.523 -9.096 319 HG LEU 47 HG LEU 47 170.679 7.385 -9.845 320 HD11 LEU 47 HD11 LEU 47 168.652 5.698 -8.456 321 HD12 LEU 47 HD12 LEU 47 168.788 5.585 -10.209 322 HD13 LEU 47 HD13 LEU 47 168.435 7.137 -9.452 323 HD21 LEU 47 HD21 LEU 47 171.909 6.521 -7.676 324 HD22 LEU 47 HD22 LEU 47 170.255 6.209 -7.146 325 HD23 LEU 47 HD23 LEU 47 170.739 7.840 -7.610 326 H GLU 48 H GLU 48 175.123 4.819 -10.261 327 HA GLU 48 HA GLU 48 174.640 3.462 -12.824 328 HB2 GLU 48 HB2 GLU 48 176.298 4.976 -13.317 329 HB3 GLU 48 HB3 GLU 48 176.956 4.950 -11.689 330 HG2 GLU 48 HG2 GLU 48 178.525 4.005 -13.259 331 HG3 GLU 48 HG3 GLU 48 177.963 2.777 -12.126 332 H ALA 49 H ALA 49 175.271 1.348 -13.111 333 HA ALA 49 HA ALA 49 175.078 -0.430 -11.038 334 HB1 ALA 49 HB1 ALA 49 175.396 -2.053 -12.577 335 HB2 ALA 49 HB2 ALA 49 176.811 -1.266 -13.277 336 HB3 ALA 49 HB3 ALA 49 175.192 -0.698 -13.689 337 H GLY 50 H GLY 50 178.052 0.871 -12.461 338 HA2 GLY 50 HA2 GLY 50 180.193 0.991 -11.657 339 HA3 GLY 50 HA3 GLY 50 179.498 0.803 -10.054 340 H HIS 51 H HIS 51 180.350 -0.835 -8.992 341 HA HIS 51 HA HIS 51 180.745 -3.373 -10.380 342 HB2 HIS 51 HB2 HIS 51 182.850 -1.679 -9.302 343 HB3 HIS 51 HB3 HIS 51 182.860 -3.280 -8.571 344 HD1 HIS 51 HD1 HIS 51 184.660 -4.524 -9.726 345 HD2 HIS 51 HD2 HIS 51 182.327 -2.348 -12.388 346 HE1 HIS 51 HE1 HIS 51 185.509 -5.129 -12.015 347 HE2 HIS 51 HE2 HIS 51 184.024 -3.867 -13.611 348 H TRP 52 H TRP 52 181.505 -2.152 -7.130 349 HA TRP 52 HA TRP 52 180.553 -4.435 -5.805 350 HB2 TRP 52 HB2 TRP 52 180.950 -1.601 -4.823 351 HB3 TRP 52 HB3 TRP 52 180.576 -2.962 -3.770 352 HD1 TRP 52 HD1 TRP 52 182.474 -5.040 -3.883 353 HE1 TRP 52 HE1 TRP 52 185.034 -4.830 -4.008 354 HE3 TRP 52 HE3 TRP 52 182.814 -0.232 -5.588 355 HZ2 TRP 52 HZ2 TRP 52 186.948 -2.886 -4.731 356 HZ3 TRP 52 HZ3 TRP 52 185.047 0.728 -5.971 357 HH2 TRP 52 HH2 TRP 52 187.071 -0.571 -5.551 358 H ALA 53 H ALA 53 178.527 -4.933 -6.644 359 HA ALA 53 HA ALA 53 176.334 -3.145 -5.831 360 HB1 ALA 53 HB1 ALA 53 175.023 -4.152 -7.685 361 HB2 ALA 53 HB2 ALA 53 176.478 -5.003 -8.199 362 HB3 ALA 53 HB3 ALA 53 176.431 -3.241 -8.230 363 H ARG 54 H ARG 54 175.924 -4.075 -3.825 364 HA ARG 54 HA ARG 54 174.663 -6.696 -3.940 365 HB2 ARG 54 HB2 ARG 54 177.042 -7.034 -3.391 366 HB3 ARG 54 HB3 ARG 54 176.846 -6.019 -1.979 367 HG2 ARG 54 HG2 ARG 54 176.342 -7.852 -0.833 368 HG3 ARG 54 HG3 ARG 54 174.838 -7.935 -1.754 369 HD2 ARG 54 HD2 ARG 54 175.888 -9.335 -3.416 370 HD3 ARG 54 HD3 ARG 54 177.451 -9.167 -2.620 371 HE ARG 54 HE ARG 54 176.813 -10.752 -1.090 372 HH11 ARG 54 HH11 ARG 54 174.009 -9.699 -2.881 373 HH12 ARG 54 HH12 ARG 54 172.981 -10.937 -2.243 374 HH21 ARG 54 HH21 ARG 54 175.462 -12.381 -0.249 375 HH22 ARG 54 HH22 ARG 54 173.805 -12.459 -0.747 376 H ASP 55 H ASP 55 172.833 -6.734 -2.824 377 HA ASP 55 HA ASP 55 172.174 -4.520 -1.047 378 HB2 ASP 55 HB2 ASP 55 169.884 -5.648 -1.116 379 HB3 ASP 55 HB3 ASP 55 170.461 -4.942 -2.617 380 H ILE 56 H ILE 56 172.297 -4.712 1.106 381 HA ILE 56 HA ILE 56 172.498 -7.419 2.243 382 HB ILE 56 HB ILE 56 173.334 -4.883 3.632 383 HG12 ILE 56 HG12 ILE 56 175.111 -6.718 2.011 384 HG13 ILE 56 HG13 ILE 56 174.538 -5.149 1.452 385 HG21 ILE 56 HG21 ILE 56 174.935 -6.926 4.492 386 HG22 ILE 56 HG22 ILE 56 173.397 -7.744 4.225 387 HG23 ILE 56 HG23 ILE 56 173.481 -6.357 5.310 388 HD11 ILE 56 HD11 ILE 56 176.139 -4.089 2.556 389 HD12 ILE 56 HD12 ILE 56 176.866 -5.669 2.849 390 HD13 ILE 56 HD13 ILE 56 175.786 -4.959 4.048 391 H THR 57 H THR 57 171.416 -7.916 4.190 392 HA THR 57 HA THR 57 169.349 -6.049 5.084 393 HB THR 57 HB THR 57 167.590 -7.681 4.942 394 HG1 THR 57 HG1 THR 57 169.497 -9.480 3.864 395 HG21 THR 57 HG21 THR 57 168.713 -6.591 2.695 396 HG22 THR 57 HG22 THR 57 167.158 -7.415 2.781 397 HG23 THR 57 HG23 THR 57 168.601 -8.304 2.293 398 H LYS 58 H LYS 58 171.859 -7.009 6.221 399 HA LYS 58 HA LYS 58 170.823 -7.833 8.798 400 HB2 LYS 58 HB2 LYS 58 172.598 -9.669 8.931 401 HB3 LYS 58 HB3 LYS 58 171.161 -10.012 7.977 402 HG2 LYS 58 HG2 LYS 58 172.423 -9.417 5.935 403 HG3 LYS 58 HG3 LYS 58 173.867 -9.210 6.930 404 HD2 LYS 58 HD2 LYS 58 173.447 -11.603 7.721 405 HD3 LYS 58 HD3 LYS 58 172.323 -11.724 6.368 406 HE2 LYS 58 HE2 LYS 58 174.947 -10.617 5.674 407 HE3 LYS 58 HE3 LYS 58 174.988 -12.284 6.246 408 HZ1 LYS 58 HZ1 LYS 58 174.529 -11.626 3.722 409 HZ2 LYS 58 HZ2 LYS 58 172.935 -11.650 4.289 410 HZ3 LYS 58 HZ3 LYS 58 173.905 -13.028 4.433 411 HA PRO 59 HA PRO 59 174.105 -4.635 9.177 412 HB2 PRO 59 HB2 PRO 59 172.833 -4.474 11.852 413 HB3 PRO 59 HB3 PRO 59 173.230 -3.180 10.716 414 HG2 PRO 59 HG2 PRO 59 170.704 -3.971 11.077 415 HG3 PRO 59 HG3 PRO 59 171.298 -3.505 9.474 416 HD2 PRO 59 HD2 PRO 59 170.800 -6.231 10.593 417 HD3 PRO 59 HD3 PRO 59 170.518 -5.616 8.952 418 H LYS 60 H LYS 60 175.769 -4.315 10.861 419 HA LYS 60 HA LYS 60 176.502 -6.885 12.094 420 HB2 LYS 60 HB2 LYS 60 177.967 -5.292 10.380 421 HB3 LYS 60 HB3 LYS 60 178.596 -4.839 11.958 422 HG2 LYS 60 HG2 LYS 60 178.561 -7.555 12.145 423 HG3 LYS 60 HG3 LYS 60 178.926 -7.315 10.436 424 HD2 LYS 60 HD2 LYS 60 180.926 -6.267 10.871 425 HD3 LYS 60 HD3 LYS 60 180.405 -5.703 12.461 426 HE2 LYS 60 HE2 LYS 60 181.126 -7.565 13.486 427 HE3 LYS 60 HE3 LYS 60 180.526 -8.617 12.204 428 HZ1 LYS 60 HZ1 LYS 60 182.910 -6.965 11.724 429 HZ2 LYS 60 HZ2 LYS 60 182.475 -8.444 11.029 430 HZ3 LYS 60 HZ3 LYS 60 183.059 -8.396 12.615 431 H GLU 61 H GLU 61 174.651 -5.059 13.251 432 HA GLU 61 HA GLU 61 174.134 -4.426 15.369 433 HB2 GLU 61 HB2 GLU 61 176.162 -5.993 15.972 434 HB3 GLU 61 HB3 GLU 61 176.978 -4.466 16.280 435 HG2 GLU 61 HG2 GLU 61 175.948 -4.203 18.225 436 HG3 GLU 61 HG3 GLU 61 174.369 -4.544 17.519 437 H GLY 62 H GLY 62 173.546 -2.461 14.551 438 HA2 GLY 62 HA2 GLY 62 173.538 -0.165 14.604 439 HA3 GLY 62 HA3 GLY 62 174.994 -0.236 15.589 440 H ARG 63 H ARG 63 175.702 -2.093 13.003 441 HA ARG 63 HA ARG 63 176.254 -0.004 11.091 442 HB2 ARG 63 HB2 ARG 63 178.097 -0.152 13.037 443 HB3 ARG 63 HB3 ARG 63 178.729 -1.387 11.957 444 HG2 ARG 63 HG2 ARG 63 179.681 0.192 10.740 445 HG3 ARG 63 HG3 ARG 63 178.084 0.842 10.356 446 HD2 ARG 63 HD2 ARG 63 179.223 2.655 11.290 447 HD3 ARG 63 HD3 ARG 63 178.241 2.038 12.617 448 HE ARG 63 HE ARG 63 180.889 0.935 12.549 449 HH11 ARG 63 HH11 ARG 63 178.944 3.617 13.643 450 HH12 ARG 63 HH12 ARG 63 180.021 4.035 14.933 451 HH21 ARG 63 HH21 ARG 63 182.309 1.482 14.246 452 HH22 ARG 63 HH22 ARG 63 181.931 2.824 15.275 453 H TRP 64 H TRP 64 176.062 -0.881 9.101 454 HA TRP 64 HA TRP 64 175.994 -3.732 8.801 455 HB2 TRP 64 HB2 TRP 64 175.973 -1.656 6.619 456 HB3 TRP 64 HB3 TRP 64 175.457 -3.318 6.501 457 HD1 TRP 64 HD1 TRP 64 174.372 -0.275 8.684 458 HE1 TRP 64 HE1 TRP 64 171.801 -0.280 8.785 459 HE3 TRP 64 HE3 TRP 64 173.446 -4.454 5.885 460 HZ2 TRP 64 HZ2 TRP 64 169.665 -1.836 7.806 461 HZ3 TRP 64 HZ3 TRP 64 171.109 -5.130 5.517 462 HH2 TRP 64 HH2 TRP 64 169.256 -3.846 6.460 463 H THR 65 H THR 65 177.335 -4.916 7.362 464 HA THR 65 HA THR 65 179.955 -3.715 6.811 465 HB THR 65 HB THR 65 179.669 -6.497 7.936 466 HG1 THR 65 HG1 THR 65 180.224 -4.081 9.312 467 HG21 THR 65 HG21 THR 65 181.930 -6.577 8.118 468 HG22 THR 65 HG22 THR 65 182.098 -4.826 8.241 469 HG23 THR 65 HG23 THR 65 181.784 -5.573 6.673 470 H PHE 66 H PHE 66 180.454 -3.940 4.752 471 HA PHE 66 HA PHE 66 179.479 -6.318 3.309 472 HB2 PHE 66 HB2 PHE 66 178.300 -4.311 2.545 473 HB3 PHE 66 HB3 PHE 66 179.837 -3.517 2.220 474 HD1 PHE 66 HD1 PHE 66 178.431 -6.882 1.423 475 HD2 PHE 66 HD2 PHE 66 180.205 -3.297 -0.027 476 HE1 PHE 66 HE1 PHE 66 178.427 -7.809 -0.856 477 HE2 PHE 66 HE2 PHE 66 180.202 -4.216 -2.310 478 HZ PHE 66 HZ PHE 66 179.313 -6.474 -2.727 479 H ARG 67 H ARG 67 181.206 -7.613 3.132 480 HA ARG 67 HA ARG 67 183.776 -6.406 2.358 481 HB2 ARG 67 HB2 ARG 67 183.054 -8.751 4.043 482 HB3 ARG 67 HB3 ARG 67 184.543 -8.840 3.112 483 HG2 ARG 67 HG2 ARG 67 185.608 -7.401 4.451 484 HG3 ARG 67 HG3 ARG 67 184.210 -6.333 4.579 485 HD2 ARG 67 HD2 ARG 67 184.804 -7.290 6.747 486 HD3 ARG 67 HD3 ARG 67 183.208 -7.824 6.226 487 HE ARG 67 HE ARG 67 185.641 -9.453 6.351 488 HH11 ARG 67 HH11 ARG 67 182.202 -9.239 5.744 489 HH12 ARG 67 HH12 ARG 67 181.963 -10.950 5.811 490 HH21 ARG 67 HH21 ARG 67 185.315 -11.700 6.440 491 HH22 ARG 67 HH22 ARG 67 183.725 -12.346 6.208 492 H ASP 68 H ASP 68 184.887 -7.141 0.598 493 HA ASP 68 HA ASP 68 183.735 -9.340 -0.963 494 HB2 ASP 68 HB2 ASP 68 183.892 -6.497 -1.747 495 HB3 ASP 68 HB3 ASP 68 184.460 -7.641 -2.959 496 H ARG 69 H ARG 69 185.323 -10.777 -1.085 497 HA ARG 69 HA ARG 69 188.100 -9.919 -1.131 498 HB2 ARG 69 HB2 ARG 69 186.850 -12.667 -1.017 499 HB3 ARG 69 HB3 ARG 69 188.581 -12.362 -0.983 500 HG2 ARG 69 HG2 ARG 69 188.161 -10.949 1.071 501 HG3 ARG 69 HG3 ARG 69 186.529 -11.621 1.080 502 HD2 ARG 69 HD2 ARG 69 188.669 -13.609 0.813 503 HD3 ARG 69 HD3 ARG 69 188.680 -12.722 2.338 504 HE ARG 69 HE ARG 69 186.746 -14.665 1.474 505 HH11 ARG 69 HH11 ARG 69 187.324 -11.937 3.571 506 HH12 ARG 69 HH12 ARG 69 186.075 -12.372 4.689 507 HH21 ARG 69 HH21 ARG 69 185.103 -15.239 2.942 508 HH22 ARG 69 HH22 ARG 69 184.815 -14.247 4.332 509 H ASN 70 H ASN 70 186.200 -9.589 -3.469 510 HA ASN 70 HA ASN 70 187.886 -10.954 -5.462 511 HB2 ASN 70 HB2 ASN 70 184.917 -10.731 -5.288 512 HB3 ASN 70 HB3 ASN 70 185.656 -10.680 -6.886 513 HD21 ASN 70 HD21 ASN 70 184.442 -12.656 -7.213 514 HD22 ASN 70 HD22 ASN 70 185.118 -14.158 -6.687 515 H ALA 71 H ALA 71 188.345 -8.369 -4.376 516 HA ALA 71 HA ALA 71 187.906 -6.730 -6.784 517 HB1 ALA 71 HB1 ALA 71 187.737 -5.847 -3.908 518 HB2 ALA 71 HB2 ALA 71 186.445 -5.847 -5.109 519 HB3 ALA 71 HB3 ALA 71 187.807 -4.739 -5.279 520 H LYS 72 H LYS 72 189.980 -7.370 -7.526 521 HA LYS 72 HA LYS 72 192.329 -6.941 -5.955 522 HB2 LYS 72 HB2 LYS 72 192.036 -8.573 -7.908 523 HB3 LYS 72 HB3 LYS 72 192.244 -7.179 -8.958 524 HG2 LYS 72 HG2 LYS 72 194.308 -7.451 -6.899 525 HG3 LYS 72 HG3 LYS 72 194.250 -8.780 -8.060 526 HD2 LYS 72 HD2 LYS 72 195.068 -7.508 -9.713 527 HD3 LYS 72 HD3 LYS 72 194.015 -6.153 -9.308 528 HE2 LYS 72 HE2 LYS 72 195.715 -6.036 -7.236 529 HE3 LYS 72 HE3 LYS 72 196.784 -6.736 -8.451 530 HZ1 LYS 72 HZ1 LYS 72 195.368 -4.140 -8.540 531 HZ2 LYS 72 HZ2 LYS 72 196.007 -4.857 -9.933 532 HZ3 LYS 72 HZ3 LYS 72 197.030 -4.435 -8.655 533 H LEU 73 H LEU 73 191.981 -4.738 -5.295 534 HA LEU 73 HA LEU 73 191.982 -2.644 -7.268 535 HB2 LEU 73 HB2 LEU 73 192.611 -2.197 -4.377 536 HB3 LEU 73 HB3 LEU 73 191.769 -1.147 -5.499 537 HG LEU 73 HG LEU 73 190.335 -3.642 -5.058 538 HD11 LEU 73 HD11 LEU 73 189.933 -3.601 -2.818 539 HD12 LEU 73 HD12 LEU 73 190.282 -1.878 -2.671 540 HD13 LEU 73 HD13 LEU 73 191.604 -3.037 -2.821 541 HD21 LEU 73 HD21 LEU 73 189.808 -0.975 -5.731 542 HD22 LEU 73 HD22 LEU 73 189.006 -1.248 -4.183 543 HD23 LEU 73 HD23 LEU 73 188.647 -2.291 -5.559 544 H LYS 74 H LYS 74 193.647 -0.826 -7.012 545 HA LYS 74 HA LYS 74 196.324 -1.906 -6.481 546 HB2 LYS 74 HB2 LYS 74 197.158 -0.807 -8.551 547 HB3 LYS 74 HB3 LYS 74 196.042 -2.130 -8.864 548 HG2 LYS 74 HG2 LYS 74 194.911 -0.748 -10.172 549 HG3 LYS 74 HG3 LYS 74 194.426 0.123 -8.717 550 HD2 LYS 74 HD2 LYS 74 195.422 1.889 -9.677 551 HD3 LYS 74 HD3 LYS 74 196.930 1.123 -9.171 552 HE2 LYS 74 HE2 LYS 74 196.587 -0.168 -11.469 553 HE3 LYS 74 HE3 LYS 74 195.685 1.295 -11.862 554 HZ1 LYS 74 HZ1 LYS 74 198.453 1.338 -10.802 555 HZ2 LYS 74 HZ2 LYS 74 197.591 2.618 -11.493 556 HZ3 LYS 74 HZ3 LYS 74 198.100 1.325 -12.456 557 H LEU 75 H LEU 75 197.848 -0.436 -5.799 558 HA LEU 75 HA LEU 75 197.003 1.734 -4.290 559 HB2 LEU 75 HB2 LEU 75 199.331 0.376 -4.562 560 HB3 LEU 75 HB3 LEU 75 199.751 1.871 -5.374 561 HG LEU 75 HG LEU 75 198.497 2.048 -2.677 562 HD11 LEU 75 HD11 LEU 75 200.037 0.604 -1.883 563 HD12 LEU 75 HD12 LEU 75 201.088 2.018 -1.989 564 HD13 LEU 75 HD13 LEU 75 201.106 0.807 -3.272 565 HD21 LEU 75 HD21 LEU 75 199.953 3.993 -2.510 566 HD22 LEU 75 HD22 LEU 75 198.987 4.064 -3.983 567 HD23 LEU 75 HD23 LEU 75 200.684 3.595 -4.065 568 H GLY 76 H GLY 76 196.748 3.873 -4.631 569 HA2 GLY 76 HA2 GLY 76 197.079 5.920 -5.777 570 HA3 GLY 76 HA3 GLY 76 197.573 5.013 -7.197 571 H ASP 77 H ASP 77 195.273 3.192 -6.985 572 HA ASP 77 HA ASP 77 193.521 4.504 -8.691 573 HB2 ASP 77 HB2 ASP 77 193.811 2.002 -8.390 574 HB3 ASP 77 HB3 ASP 77 192.783 2.143 -6.967 575 H LYS 78 H LYS 78 191.345 5.175 -8.403 576 HA LYS 78 HA LYS 78 190.747 6.091 -5.663 577 HB2 LYS 78 HB2 LYS 78 191.247 7.825 -7.500 578 HB3 LYS 78 HB3 LYS 78 189.686 7.376 -8.174 579 HG2 LYS 78 HG2 LYS 78 189.365 9.314 -6.845 580 HG3 LYS 78 HG3 LYS 78 188.659 7.954 -5.971 581 HD2 LYS 78 HD2 LYS 78 190.269 7.989 -4.341 582 HD3 LYS 78 HD3 LYS 78 191.494 8.669 -5.415 583 HE2 LYS 78 HE2 LYS 78 190.859 10.806 -5.005 584 HE3 LYS 78 HE3 LYS 78 189.156 10.381 -4.839 585 HZ1 LYS 78 HZ1 LYS 78 190.934 9.399 -2.757 586 HZ2 LYS 78 HZ2 LYS 78 189.369 10.030 -2.636 587 HZ3 LYS 78 HZ3 LYS 78 190.692 11.074 -2.792 588 H ILE 79 H ILE 79 188.610 5.984 -4.946 589 HA ILE 79 HA ILE 79 186.972 4.037 -6.402 590 HB ILE 79 HB ILE 79 187.541 4.414 -3.558 591 HG12 ILE 79 HG12 ILE 79 186.780 1.952 -3.651 592 HG13 ILE 79 HG13 ILE 79 186.681 2.188 -5.392 593 HG21 ILE 79 HG21 ILE 79 185.240 5.210 -3.512 594 HG22 ILE 79 HG22 ILE 79 185.356 3.612 -2.777 595 HG23 ILE 79 HG23 ILE 79 184.714 3.786 -4.410 596 HD11 ILE 79 HD11 ILE 79 189.169 2.710 -3.794 597 HD12 ILE 79 HD12 ILE 79 189.006 2.627 -5.547 598 HD13 ILE 79 HD13 ILE 79 188.806 1.170 -4.574 599 H TYR 80 H TYR 80 184.735 4.266 -6.578 600 HA TYR 80 HA TYR 80 183.537 6.844 -5.908 601 HB2 TYR 80 HB2 TYR 80 183.761 5.734 -8.710 602 HB3 TYR 80 HB3 TYR 80 182.533 6.912 -8.261 603 HD1 TYR 80 HD1 TYR 80 183.196 9.200 -7.599 604 HD2 TYR 80 HD2 TYR 80 186.045 6.378 -9.020 605 HE1 TYR 80 HE1 TYR 80 184.794 11.025 -8.000 606 HE2 TYR 80 HE2 TYR 80 187.652 8.195 -9.426 607 HH TYR 80 HH TYR 80 187.871 10.751 -8.261 608 H PHE 81 H PHE 81 181.493 6.502 -5.098 609 HA PHE 81 HA PHE 81 179.875 4.333 -6.113 610 HB2 PHE 81 HB2 PHE 81 179.642 3.269 -3.841 611 HB3 PHE 81 HB3 PHE 81 181.174 3.005 -4.639 612 HD1 PHE 81 HD1 PHE 81 183.049 4.780 -4.009 613 HD2 PHE 81 HD2 PHE 81 179.612 3.907 -1.658 614 HE1 PHE 81 HE1 PHE 81 184.184 5.681 -2.018 615 HE2 PHE 81 HE2 PHE 81 180.740 4.805 0.333 616 HZ PHE 81 HZ PHE 81 183.029 5.695 0.154 617 H TRP 82 H TRP 82 178.076 3.922 -4.354 618 HA TRP 82 HA TRP 82 177.129 6.235 -2.969 619 HB2 TRP 82 HB2 TRP 82 175.090 6.604 -4.209 620 HB3 TRP 82 HB3 TRP 82 176.456 6.782 -5.301 621 HD1 TRP 82 HD1 TRP 82 176.812 4.812 -7.129 622 HE1 TRP 82 HE1 TRP 82 175.118 3.211 -8.208 623 HE3 TRP 82 HE3 TRP 82 172.996 5.290 -3.768 624 HZ2 TRP 82 HZ2 TRP 82 172.503 2.267 -7.701 625 HZ3 TRP 82 HZ3 TRP 82 170.930 4.008 -4.139 626 HH2 TRP 82 HH2 TRP 82 170.690 2.527 -6.064 627 H THR 83 H THR 83 175.784 5.633 -1.328 628 HA THR 83 HA THR 83 175.230 2.751 -1.160 629 HB THR 83 HB THR 83 174.784 3.270 1.271 630 HG1 THR 83 HG1 THR 83 175.579 5.298 1.988 631 HG21 THR 83 HG21 THR 83 176.905 2.374 0.874 632 HG22 THR 83 HG22 THR 83 177.190 3.831 1.826 633 HG23 THR 83 HG23 THR 83 177.474 3.845 0.086 634 H TYR 84 H TYR 84 173.179 2.069 -0.112 635 HA TYR 84 HA TYR 84 170.955 3.928 -0.450 636 HB2 TYR 84 HB2 TYR 84 171.158 2.808 -2.611 637 HB3 TYR 84 HB3 TYR 84 171.145 1.240 -1.814 638 HD1 TYR 84 HD1 TYR 84 168.981 4.194 -1.158 639 HD2 TYR 84 HD2 TYR 84 169.208 0.216 -2.649 640 HE1 TYR 84 HE1 TYR 84 166.530 4.134 -1.352 641 HE2 TYR 84 HE2 TYR 84 166.759 0.144 -2.849 642 HH TYR 84 HH TYR 84 164.865 2.412 -3.092 643 H VAL 85 H VAL 85 170.199 3.881 1.606 644 HA VAL 85 HA VAL 85 169.954 1.269 2.924 645 HB VAL 85 HB VAL 85 170.730 2.302 4.740 646 HG11 VAL 85 HG11 VAL 85 170.387 4.909 3.275 647 HG12 VAL 85 HG12 VAL 85 171.847 3.923 3.360 648 HG13 VAL 85 HG13 VAL 85 171.230 4.713 4.811 649 HG21 VAL 85 HG21 VAL 85 168.228 3.973 4.554 650 HG22 VAL 85 HG22 VAL 85 169.327 3.993 5.930 651 HG23 VAL 85 HG23 VAL 85 168.480 2.507 5.504 652 H ILE 86 H ILE 86 167.980 0.973 4.305 653 HA ILE 86 HA ILE 86 165.605 2.364 3.307 654 HB ILE 86 HB ILE 86 165.750 -0.646 3.448 655 HG12 ILE 86 HG12 ILE 86 167.065 0.261 1.577 656 HG13 ILE 86 HG13 ILE 86 165.645 -0.626 1.027 657 HG21 ILE 86 HG21 ILE 86 163.550 0.379 3.948 658 HG22 ILE 86 HG22 ILE 86 163.540 -0.616 2.493 659 HG23 ILE 86 HG23 ILE 86 163.582 1.141 2.358 660 HD11 ILE 86 HD11 ILE 86 164.984 1.114 -0.132 661 HD12 ILE 86 HD12 ILE 86 166.425 1.991 0.379 662 HD13 ILE 86 HD13 ILE 86 164.942 2.102 1.328 663 H LYS 87 H LYS 87 164.803 3.197 5.100 664 HA LYS 87 HA LYS 87 164.793 1.587 7.556 665 HB2 LYS 87 HB2 LYS 87 165.839 3.989 7.361 666 HB3 LYS 87 HB3 LYS 87 164.170 4.514 7.515 667 HG2 LYS 87 HG2 LYS 87 165.137 2.543 9.494 668 HG3 LYS 87 HG3 LYS 87 165.788 4.179 9.603 669 HD2 LYS 87 HD2 LYS 87 162.997 4.411 9.192 670 HD3 LYS 87 HD3 LYS 87 163.240 3.194 10.447 671 HE2 LYS 87 HE2 LYS 87 163.411 4.921 11.856 672 HE3 LYS 87 HE3 LYS 87 165.015 5.161 11.164 673 HZ1 LYS 87 HZ1 LYS 87 163.174 7.056 11.224 674 HZ2 LYS 87 HZ2 LYS 87 162.789 6.368 9.729 675 HZ3 LYS 87 HZ3 LYS 87 164.346 6.963 10.008 676 H ASP 88 H ASP 88 162.937 0.493 6.346 677 HA ASP 88 HA ASP 88 160.718 -0.003 6.277 678 HB2 ASP 88 HB2 ASP 88 160.982 0.879 8.720 679 HB3 ASP 88 HB3 ASP 88 160.109 2.285 8.120 680 H GLY 89 H GLY 89 161.186 1.043 4.063 681 HA2 GLY 89 HA2 GLY 89 160.227 2.161 2.295 682 HA3 GLY 89 HA3 GLY 89 158.924 2.631 3.377 683 H LEU 90 H LEU 90 162.256 3.367 4.083 684 HA LEU 90 HA LEU 90 161.954 6.117 3.136 685 HB2 LEU 90 HB2 LEU 90 162.931 5.642 5.930 686 HB3 LEU 90 HB3 LEU 90 162.347 7.131 5.204 687 HG LEU 90 HG LEU 90 160.582 4.758 5.745 688 HD11 LEU 90 HD11 LEU 90 159.742 6.249 7.643 689 HD12 LEU 90 HD12 LEU 90 161.268 7.115 7.472 690 HD13 LEU 90 HD13 LEU 90 161.269 5.402 7.891 691 HD21 LEU 90 HD21 LEU 90 159.552 7.519 5.577 692 HD22 LEU 90 HD22 LEU 90 158.859 6.008 4.988 693 HD23 LEU 90 HD23 LEU 90 160.140 6.806 4.074 694 H GLY 91 H GLY 91 163.491 5.082 1.649 695 HA2 GLY 91 HA2 GLY 91 166.070 4.419 2.663 696 HA3 GLY 91 HA3 GLY 91 165.597 4.413 0.983 697 H TYR 92 H TYR 92 168.032 5.287 1.861 698 HA TYR 92 HA TYR 92 168.069 7.985 0.812 699 HB2 TYR 92 HB2 TYR 92 169.280 7.361 3.519 700 HB3 TYR 92 HB3 TYR 92 169.419 8.888 2.654 701 HD1 TYR 92 HD1 TYR 92 167.374 10.293 2.314 702 HD2 TYR 92 HD2 TYR 92 167.374 6.870 4.840 703 HE1 TYR 92 HE1 TYR 92 165.312 11.093 3.387 704 HE2 TYR 92 HE2 TYR 92 165.311 7.661 5.921 705 HH TYR 92 HH TYR 92 163.991 10.827 5.277 706 H ARG 93 H ARG 93 170.144 8.489 -0.122 707 HA ARG 93 HA ARG 93 172.007 6.222 -0.071 708 HB2 ARG 93 HB2 ARG 93 172.500 6.643 -2.438 709 HB3 ARG 93 HB3 ARG 93 170.812 6.209 -2.174 710 HG2 ARG 93 HG2 ARG 93 170.351 8.722 -2.167 711 HG3 ARG 93 HG3 ARG 93 171.970 8.889 -2.848 712 HD2 ARG 93 HD2 ARG 93 171.392 7.874 -4.826 713 HD3 ARG 93 HD3 ARG 93 170.082 6.949 -4.092 714 HE ARG 93 HE ARG 93 169.926 9.589 -5.215 715 HH11 ARG 93 HH11 ARG 93 168.483 7.349 -2.962 716 HH12 ARG 93 HH12 ARG 93 166.925 8.104 -3.016 717 HH21 ARG 93 HH21 ARG 93 167.878 10.585 -5.286 718 HH22 ARG 93 HH22 ARG 93 166.582 9.942 -4.336 719 H GLN 94 H GLN 94 174.158 6.607 -0.265 720 HA GLN 94 HA GLN 94 174.982 9.386 0.216 721 HB2 GLN 94 HB2 GLN 94 175.546 7.582 1.948 722 HB3 GLN 94 HB3 GLN 94 176.659 6.936 0.747 723 HG2 GLN 94 HG2 GLN 94 177.383 9.538 0.755 724 HG3 GLN 94 HG3 GLN 94 176.875 9.327 2.427 725 HE21 GLN 94 HE21 GLN 94 178.594 7.321 0.054 726 HE22 GLN 94 HE22 GLN 94 179.941 6.964 1.074 727 H ASP 95 H ASP 95 174.689 9.622 -2.108 728 HA ASP 95 HA ASP 95 176.493 8.228 -3.864 729 HB2 ASP 95 HB2 ASP 95 175.529 9.693 -5.617 730 HB3 ASP 95 HB3 ASP 95 174.307 8.830 -4.692 731 H ASN 96 H ASN 96 177.631 9.702 -5.550 732 HA ASN 96 HA ASN 96 179.410 11.039 -5.997 733 HB2 ASN 96 HB2 ASN 96 177.801 12.830 -5.529 734 HB3 ASN 96 HB3 ASN 96 178.192 12.743 -3.817 735 HD21 ASN 96 HD21 ASN 96 180.202 12.735 -6.735 736 HD22 ASN 96 HD22 ASN 96 181.159 14.104 -6.288 737 H GLY 97 H GLY 97 179.420 8.998 -3.712 738 HA2 GLY 97 HA2 GLY 97 181.404 10.059 -1.892 739 HA3 GLY 97 HA3 GLY 97 180.788 8.414 -1.918 740 H GLU 98 H GLU 98 183.462 8.982 -1.547 741 HA GLU 98 HA GLU 98 184.588 7.518 -3.771 742 HB2 GLU 98 HB2 GLU 98 186.388 9.113 -4.209 743 HB3 GLU 98 HB3 GLU 98 184.817 9.836 -4.531 744 HG2 GLU 98 HG2 GLU 98 185.227 10.529 -1.929 745 HG3 GLU 98 HG3 GLU 98 186.865 10.566 -2.580 746 H TRP 99 H TRP 99 186.839 6.864 -3.358 747 HA TRP 99 HA TRP 99 187.839 7.118 -0.666 748 HB2 TRP 99 HB2 TRP 99 186.259 5.340 -0.291 749 HB3 TRP 99 HB3 TRP 99 186.835 4.468 -1.705 750 HD1 TRP 99 HD1 TRP 99 188.321 5.662 1.690 751 HE1 TRP 99 HE1 TRP 99 189.954 3.841 2.498 752 HE3 TRP 99 HE3 TRP 99 187.953 2.459 -2.251 753 HZ2 TRP 99 HZ2 TRP 99 190.951 1.362 1.564 754 HZ3 TRP 99 HZ3 TRP 99 189.266 0.386 -2.230 755 HH2 TRP 99 HH2 TRP 99 190.730 -0.148 -0.362 756 H THR 100 H THR 100 189.954 5.899 -0.433 757 HA THR 100 HA THR 100 191.396 6.084 -2.988 758 HB THR 100 HB THR 100 192.022 7.536 -1.005 759 HG1 THR 100 HG1 THR 100 193.461 6.904 -2.785 760 HG21 THR 100 HG21 THR 100 192.416 6.626 0.973 761 HG22 THR 100 HG22 THR 100 193.796 5.776 0.282 762 HG23 THR 100 HG23 THR 100 192.211 5.001 0.314 763 H VAL 101 H VAL 101 193.215 4.679 -3.349 764 HA VAL 101 HA VAL 101 192.917 2.008 -2.131 765 HB VAL 101 HB VAL 101 193.829 2.517 -4.964 766 HG11 VAL 101 HG11 VAL 101 193.234 0.034 -5.107 767 HG12 VAL 101 HG12 VAL 101 193.239 0.059 -3.344 768 HG13 VAL 101 HG13 VAL 101 194.703 0.473 -4.237 769 HG21 VAL 101 HG21 VAL 101 191.682 2.876 -5.477 770 HG22 VAL 101 HG22 VAL 101 191.145 2.438 -3.857 771 HG23 VAL 101 HG23 VAL 101 191.395 1.184 -5.072 772 H THR 102 H THR 102 194.857 4.643 -2.308 773 HA THR 102 HA THR 102 197.410 3.615 -2.846 774 HB THR 102 HB THR 102 198.194 5.619 -1.502 775 HG1 THR 102 HG1 THR 102 196.762 6.846 -0.526 776 HG21 THR 102 HG21 THR 102 196.777 7.254 -3.058 777 HG22 THR 102 HG22 THR 102 196.468 5.730 -3.890 778 HG23 THR 102 HG23 THR 102 198.125 6.284 -3.652 779 H GLU 103 H GLU 103 195.373 3.046 -0.188 780 HA GLU 103 HA GLU 103 197.655 1.941 1.308 781 HB2 GLU 103 HB2 GLU 103 196.332 2.476 3.404 782 HB3 GLU 103 HB3 GLU 103 197.037 3.851 2.564 783 HG2 GLU 103 HG2 GLU 103 195.054 4.804 2.392 784 HG3 GLU 103 HG3 GLU 103 194.422 3.399 1.535 785 H PHE 104 H PHE 104 197.179 0.085 2.623 786 HA PHE 104 HA PHE 104 194.632 -1.235 2.017 787 HB2 PHE 104 HB2 PHE 104 197.379 -2.474 1.746 788 HB3 PHE 104 HB3 PHE 104 195.870 -3.379 1.688 789 HD1 PHE 104 HD1 PHE 104 197.480 -0.434 0.052 790 HD2 PHE 104 HD2 PHE 104 194.988 -3.857 -0.375 791 HE1 PHE 104 HE1 PHE 104 197.339 -0.025 -2.370 792 HE2 PHE 104 HE2 PHE 104 194.845 -3.455 -2.799 793 HZ PHE 104 HZ PHE 104 196.021 -1.537 -3.801 794 H VAL 105 H VAL 105 193.865 -2.586 3.644 795 HA VAL 105 HA VAL 105 195.250 -2.264 6.200 796 HB VAL 105 HB VAL 105 193.184 -2.827 7.302 797 HG11 VAL 105 HG11 VAL 105 192.951 -0.798 5.095 798 HG12 VAL 105 HG12 VAL 105 193.324 -0.534 6.798 799 HG13 VAL 105 HG13 VAL 105 191.697 -1.013 6.316 800 HG21 VAL 105 HG21 VAL 105 191.165 -2.948 5.491 801 HG22 VAL 105 HG22 VAL 105 191.933 -4.361 6.215 802 HG23 VAL 105 HG23 VAL 105 192.440 -3.801 4.622 803 H ASN 106 H ASN 106 194.987 -4.125 7.730 804 HA ASN 106 HA ASN 106 196.061 -6.503 6.469 805 HB2 ASN 106 HB2 ASN 106 196.020 -5.330 9.174 806 HB3 ASN 106 HB3 ASN 106 195.987 -7.087 9.113 807 HD21 ASN 106 HD21 ASN 106 198.029 -4.924 9.820 808 HD22 ASN 106 HD22 ASN 106 199.459 -5.438 8.997 809 H GLU 107 H GLU 107 195.270 -8.599 6.757 810 HA GLU 107 HA GLU 107 192.513 -8.935 6.492 811 HB2 GLU 107 HB2 GLU 107 194.691 -10.849 7.339 812 HB3 GLU 107 HB3 GLU 107 193.019 -11.356 7.140 813 HG2 GLU 107 HG2 GLU 107 193.261 -10.299 4.778 814 HG3 GLU 107 HG3 GLU 107 194.988 -10.476 5.081 815 H ASP 108 H ASP 108 194.441 -8.290 9.214 816 HA ASP 108 HA ASP 108 192.781 -9.464 11.223 817 HB2 ASP 108 HB2 ASP 108 195.302 -8.386 11.202 818 HB3 ASP 108 HB3 ASP 108 194.379 -7.117 12.003 819 H GLY 109 H GLY 109 192.833 -6.428 9.476 820 HA2 GLY 109 HA2 GLY 109 190.621 -5.348 9.295 821 HA3 GLY 109 HA3 GLY 109 190.446 -5.607 11.023 822 H THR 110 H THR 110 193.598 -4.686 10.071 823 HA THR 110 HA THR 110 192.999 -1.855 10.543 824 HB THR 110 HB THR 110 194.613 -1.560 12.183 825 HG1 THR 110 HG1 THR 110 195.634 -4.094 11.431 826 HG21 THR 110 HG21 THR 110 194.349 -3.437 13.859 827 HG22 THR 110 HG22 THR 110 193.310 -4.218 12.666 828 HG23 THR 110 HG23 THR 110 192.872 -2.640 13.319 829 HA PRO 111 HA PRO 111 195.542 -0.602 7.289 830 HB2 PRO 111 HB2 PRO 111 197.335 0.707 9.293 831 HB3 PRO 111 HB3 PRO 111 196.623 1.374 7.819 832 HG2 PRO 111 HG2 PRO 111 195.603 1.966 10.210 833 HG3 PRO 111 HG3 PRO 111 194.550 1.703 8.808 834 HD2 PRO 111 HD2 PRO 111 195.068 -0.069 11.141 835 HD3 PRO 111 HD3 PRO 111 193.604 0.102 10.169 836 H ALA 112 H ALA 112 196.966 -1.666 6.144 837 HA ALA 112 HA ALA 112 198.535 -3.737 7.152 838 HB1 ALA 112 HB1 ALA 112 199.335 -4.030 4.951 839 HB2 ALA 112 HB2 ALA 112 199.019 -2.346 4.537 840 HB3 ALA 112 HB3 ALA 112 197.672 -3.455 4.805 841 H ASP 113 H ASP 113 200.242 -3.544 8.434 842 HA ASP 113 HA ASP 113 202.207 -1.430 7.842 843 HB2 ASP 113 HB2 ASP 113 200.708 -1.501 10.105 844 HB3 ASP 113 HB3 ASP 113 202.103 -2.446 10.614 845 H THR 114 H THR 114 204.219 -2.160 9.510 846 HA THR 114 HA THR 114 206.005 -3.554 9.737 847 HB THR 114 HB THR 114 204.360 -5.925 8.940 848 HG1 THR 114 HG1 THR 114 204.155 -4.635 11.454 849 HG21 THR 114 HG21 THR 114 205.490 -6.918 10.923 850 HG22 THR 114 HG22 THR 114 206.433 -5.435 11.058 851 HG23 THR 114 HG23 THR 114 206.578 -6.444 9.618 852 H SER 115 H SER 115 205.531 -2.284 7.260 853 HA SER 115 HA SER 115 207.092 -4.035 5.535 854 HB2 SER 115 HB2 SER 115 204.415 -2.872 4.765 855 HB3 SER 115 HB3 SER 115 205.600 -3.401 3.571 856 HG SER 115 HG SER 115 203.984 -4.998 4.218 857 H LEU 116 H LEU 116 208.816 -2.628 5.846 858 HA LEU 116 HA LEU 116 210.175 -0.865 5.383 859 HB2 LEU 116 HB2 LEU 116 208.996 -1.349 3.080 860 HB3 LEU 116 HB3 LEU 116 208.224 0.196 3.386 861 HG LEU 116 HG LEU 116 210.760 0.931 3.797 862 HD11 LEU 116 HD11 LEU 116 212.352 -0.297 2.779 863 HD12 LEU 116 HD12 LEU 116 211.269 -0.836 1.496 864 HD13 LEU 116 HD13 LEU 116 211.222 -1.617 3.077 865 HD21 LEU 116 HD21 LEU 116 208.864 1.486 1.972 866 HD22 LEU 116 HD22 LEU 116 210.076 0.729 0.937 867 HD23 LEU 116 HD23 LEU 116 210.501 2.138 1.908 868 H GLU 117 H GLU 117 209.440 -0.163 7.559 869 HA GLU 117 HA GLU 117 208.137 2.467 7.372 870 HB2 GLU 117 HB2 GLU 117 207.446 0.161 9.095 871 HB3 GLU 117 HB3 GLU 117 207.453 1.735 9.880 872 HG2 GLU 117 HG2 GLU 117 206.065 1.724 7.318 873 HG3 GLU 117 HG3 GLU 117 205.357 0.637 8.512 874 HA PRO 118 HA PRO 118 212.350 3.222 9.035 875 HB2 PRO 118 HB2 PRO 118 211.220 5.969 8.749 876 HB3 PRO 118 HB3 PRO 118 212.811 5.353 8.286 877 HG2 PRO 118 HG2 PRO 118 210.941 5.788 6.445 878 HG3 PRO 118 HG3 PRO 118 212.013 4.380 6.336 879 HD2 PRO 118 HD2 PRO 118 209.150 4.525 7.155 880 HD3 PRO 118 HD3 PRO 118 210.011 3.247 6.272 Start of MODEL 5 1 H GLN 6 H GLN 6 163.887 10.903 10.812 2 HA GLN 6 HA GLN 6 163.704 11.781 8.441 3 HB2 GLN 6 HB2 GLN 6 164.022 14.303 10.082 4 HB3 GLN 6 HB3 GLN 6 164.210 14.202 8.336 5 HG2 GLN 6 HG2 GLN 6 161.665 13.158 9.327 6 HG3 GLN 6 HG3 GLN 6 161.919 14.875 9.639 7 HE21 GLN 6 HE21 GLN 6 163.219 15.774 7.501 8 HE22 GLN 6 HE22 GLN 6 162.296 15.546 6.059 9 H TYR 7 H TYR 7 165.422 10.217 8.895 10 HA TYR 7 HA TYR 7 167.923 11.358 9.883 11 HB2 TYR 7 HB2 TYR 7 167.140 9.133 10.684 12 HB3 TYR 7 HB3 TYR 7 167.342 8.506 9.058 13 HD1 TYR 7 HD1 TYR 7 169.351 10.467 11.538 14 HD2 TYR 7 HD2 TYR 7 169.256 7.280 8.723 15 HE1 TYR 7 HE1 TYR 7 171.695 9.943 12.062 16 HE2 TYR 7 HE2 TYR 7 171.601 6.745 9.239 17 HH TYR 7 HH TYR 7 173.565 7.781 10.166 18 H VAL 8 H VAL 8 169.896 10.371 8.643 19 HA VAL 8 HA VAL 8 169.484 10.817 5.759 20 HB VAL 8 HB VAL 8 171.917 11.659 7.329 21 HG11 VAL 8 HG11 VAL 8 172.617 11.371 5.134 22 HG12 VAL 8 HG12 VAL 8 172.188 13.082 5.185 23 HG13 VAL 8 HG13 VAL 8 171.076 11.914 4.468 24 HG21 VAL 8 HG21 VAL 8 169.784 12.900 7.895 25 HG22 VAL 8 HG22 VAL 8 169.799 13.490 6.233 26 HG23 VAL 8 HG23 VAL 8 171.129 13.885 7.321 27 H VAL 9 H VAL 9 171.200 9.882 4.385 28 HA VAL 9 HA VAL 9 171.635 7.160 4.993 29 HB VAL 9 HB VAL 9 171.404 7.964 2.695 30 HG11 VAL 9 HG11 VAL 9 173.433 9.807 3.503 31 HG12 VAL 9 HG12 VAL 9 172.464 9.793 2.033 32 HG13 VAL 9 HG13 VAL 9 173.988 8.906 2.093 33 HG21 VAL 9 HG21 VAL 9 173.915 6.944 2.079 34 HG22 VAL 9 HG22 VAL 9 172.419 6.033 2.261 35 HG23 VAL 9 HG23 VAL 9 173.509 6.219 3.633 36 HA PRO 10 HA PRO 10 175.367 7.543 7.426 37 HB2 PRO 10 HB2 PRO 10 175.833 4.718 6.741 38 HB3 PRO 10 HB3 PRO 10 175.588 5.463 8.322 39 HG2 PRO 10 HG2 PRO 10 173.713 3.911 7.191 40 HG3 PRO 10 HG3 PRO 10 173.290 5.319 8.184 41 HD2 PRO 10 HD2 PRO 10 173.320 5.042 5.202 42 HD3 PRO 10 HD3 PRO 10 172.137 5.857 6.247 43 H SER 11 H SER 11 177.737 6.591 7.156 44 HA SER 11 HA SER 11 178.531 7.200 4.400 45 HB2 SER 11 HB2 SER 11 179.309 8.660 6.353 46 HB3 SER 11 HB3 SER 11 180.337 7.302 6.806 47 HG SER 11 HG SER 11 181.659 7.855 5.278 48 H ALA 12 H ALA 12 179.532 5.740 3.186 49 HA ALA 12 HA ALA 12 179.960 3.090 4.240 50 HB1 ALA 12 HB1 ALA 12 179.327 4.136 1.744 51 HB2 ALA 12 HB2 ALA 12 179.641 2.446 2.137 52 HB3 ALA 12 HB3 ALA 12 180.950 3.475 1.555 53 H LYS 13 H LYS 13 181.697 2.929 5.541 54 HA LYS 13 HA LYS 13 184.197 4.230 4.877 55 HB2 LYS 13 HB2 LYS 13 183.253 3.867 7.239 56 HB3 LYS 13 HB3 LYS 13 183.784 2.200 7.064 57 HG2 LYS 13 HG2 LYS 13 186.049 2.823 6.944 58 HG3 LYS 13 HG3 LYS 13 185.647 4.523 6.690 59 HD2 LYS 13 HD2 LYS 13 186.417 4.154 8.970 60 HD3 LYS 13 HD3 LYS 13 184.719 4.633 8.959 61 HE2 LYS 13 HE2 LYS 13 184.036 2.329 9.260 62 HE3 LYS 13 HE3 LYS 13 185.712 1.792 9.162 63 HZ1 LYS 13 HZ1 LYS 13 184.287 3.028 11.369 64 HZ2 LYS 13 HZ2 LYS 13 185.877 3.558 11.140 65 HZ3 LYS 13 HZ3 LYS 13 185.562 1.915 11.389 66 H LEU 14 H LEU 14 185.144 3.345 3.116 67 HA LEU 14 HA LEU 14 185.284 0.448 2.853 68 HB2 LEU 14 HB2 LEU 14 186.310 2.576 0.980 69 HB3 LEU 14 HB3 LEU 14 186.153 0.864 0.633 70 HG LEU 14 HG LEU 14 183.593 1.458 1.289 71 HD11 LEU 14 HD11 LEU 14 184.633 3.938 1.288 72 HD12 LEU 14 HD12 LEU 14 182.963 3.576 0.855 73 HD13 LEU 14 HD13 LEU 14 184.173 3.793 -0.409 74 HD21 LEU 14 HD21 LEU 14 184.213 2.084 -1.502 75 HD22 LEU 14 HD22 LEU 14 183.198 0.814 -0.820 76 HD23 LEU 14 HD23 LEU 14 184.944 0.591 -0.914 77 H GLU 15 H GLU 15 187.284 -0.626 2.369 78 HA GLU 15 HA GLU 15 189.757 0.699 3.122 79 HB2 GLU 15 HB2 GLU 15 188.643 -1.675 4.623 80 HB3 GLU 15 HB3 GLU 15 190.314 -1.137 4.739 81 HG2 GLU 15 HG2 GLU 15 187.958 0.607 5.402 82 HG3 GLU 15 HG3 GLU 15 188.807 -0.383 6.588 83 H ALA 16 H ALA 16 191.571 -0.249 2.176 84 HA ALA 16 HA ALA 16 190.972 -2.201 0.108 85 HB1 ALA 16 HB1 ALA 16 193.766 -1.401 0.407 86 HB2 ALA 16 HB2 ALA 16 192.652 -0.053 0.192 87 HB3 ALA 16 HB3 ALA 16 192.714 -1.346 -1.005 88 H ILE 17 H ILE 17 190.949 -4.270 0.629 89 HA ILE 17 HA ILE 17 192.537 -5.315 2.804 90 HB ILE 17 HB ILE 17 190.850 -6.907 0.874 91 HG12 ILE 17 HG12 ILE 17 189.523 -5.058 1.855 92 HG13 ILE 17 HG13 ILE 17 188.985 -6.638 2.416 93 HG21 ILE 17 HG21 ILE 17 192.262 -7.444 3.402 94 HG22 ILE 17 HG22 ILE 17 191.855 -8.529 2.071 95 HG23 ILE 17 HG23 ILE 17 190.635 -8.115 3.278 96 HD11 ILE 17 HD11 ILE 17 190.978 -5.527 4.178 97 HD12 ILE 17 HD12 ILE 17 189.344 -6.087 4.529 98 HD13 ILE 17 HD13 ILE 17 189.609 -4.435 3.972 99 H TYR 18 H TYR 18 194.085 -6.976 2.627 100 HA TYR 18 HA TYR 18 195.379 -7.133 -0.016 101 HB2 TYR 18 HB2 TYR 18 196.451 -6.213 2.363 102 HB3 TYR 18 HB3 TYR 18 197.048 -7.867 2.272 103 HD1 TYR 18 HD1 TYR 18 196.861 -4.684 0.362 104 HD2 TYR 18 HD2 TYR 18 198.865 -8.400 0.890 105 HE1 TYR 18 HE1 TYR 18 198.611 -3.956 -1.204 106 HE2 TYR 18 HE2 TYR 18 200.621 -7.681 -0.673 107 HH TYR 18 HH TYR 18 200.300 -5.078 -2.730 108 HA PRO 19 HA PRO 19 196.840 -8.177 -0.957 109 HB2 PRO 19 HB2 PRO 19 197.071 -10.275 -2.799 110 HB3 PRO 19 HB3 PRO 19 198.245 -9.852 -1.553 111 HG2 PRO 19 HG2 PRO 19 196.691 -12.208 -1.689 112 HG3 PRO 19 HG3 PRO 19 197.697 -11.674 -0.334 113 HD2 PRO 19 HD2 PRO 19 194.756 -11.435 -0.725 114 HD3 PRO 19 HD3 PRO 19 195.687 -11.616 0.776 115 H ARG 20 H ARG 20 193.752 -9.308 -1.069 116 HA ARG 20 HA ARG 20 192.997 -7.630 -3.190 117 HB2 ARG 20 HB2 ARG 20 193.582 -10.408 -3.842 118 HB3 ARG 20 HB3 ARG 20 191.937 -9.955 -4.270 119 HG2 ARG 20 HG2 ARG 20 192.974 -7.938 -5.434 120 HG3 ARG 20 HG3 ARG 20 194.514 -8.781 -5.254 121 HD2 ARG 20 HD2 ARG 20 192.929 -10.747 -6.269 122 HD3 ARG 20 HD3 ARG 20 192.262 -9.318 -7.057 123 HE ARG 20 HE ARG 20 194.919 -9.030 -7.433 124 HH11 ARG 20 HH11 ARG 20 192.718 -11.673 -8.022 125 HH12 ARG 20 HH12 ARG 20 193.621 -12.290 -9.363 126 HH21 ARG 20 HH21 ARG 20 196.107 -9.839 -9.197 127 HH22 ARG 20 HH22 ARG 20 195.545 -11.248 -10.032 128 H GLY 21 H GLY 21 191.450 -6.792 -1.886 129 HA2 GLY 21 HA2 GLY 21 188.989 -8.179 -1.656 130 HA3 GLY 21 HA3 GLY 21 189.801 -8.139 -0.108 131 H LEU 22 H LEU 22 187.590 -6.964 0.177 132 HA LEU 22 HA LEU 22 188.206 -4.158 0.391 133 HB2 LEU 22 HB2 LEU 22 187.095 -4.774 -1.950 134 HB3 LEU 22 HB3 LEU 22 185.628 -4.688 -0.993 135 HG LEU 22 HG LEU 22 186.114 -2.573 -2.147 136 HD11 LEU 22 HD11 LEU 22 186.582 -1.837 0.668 137 HD12 LEU 22 HD12 LEU 22 185.199 -2.887 0.359 138 HD13 LEU 22 HD13 LEU 22 185.318 -1.324 -0.449 139 HD21 LEU 22 HD21 LEU 22 188.097 -1.539 -2.109 140 HD22 LEU 22 HD22 LEU 22 188.730 -3.083 -1.540 141 HD23 LEU 22 HD23 LEU 22 188.318 -1.819 -0.382 142 H ARG 23 H ARG 23 187.232 -3.273 2.125 143 HA ARG 23 HA ARG 23 185.004 -4.756 3.357 144 HB2 ARG 23 HB2 ARG 23 187.419 -4.847 4.436 145 HB3 ARG 23 HB3 ARG 23 186.950 -3.276 5.072 146 HG2 ARG 23 HG2 ARG 23 185.017 -5.493 5.398 147 HG3 ARG 23 HG3 ARG 23 186.491 -5.550 6.367 148 HD2 ARG 23 HD2 ARG 23 184.494 -3.294 6.258 149 HD3 ARG 23 HD3 ARG 23 184.728 -4.424 7.591 150 HE ARG 23 HE ARG 23 186.252 -2.080 7.049 151 HH11 ARG 23 HH11 ARG 23 186.477 -5.311 8.350 152 HH12 ARG 23 HH12 ARG 23 187.821 -4.940 9.376 153 HH21 ARG 23 HH21 ARG 23 188.021 -1.589 8.398 154 HH22 ARG 23 HH22 ARG 23 188.697 -2.827 9.404 155 H VAL 24 H VAL 24 183.233 -3.552 3.494 156 HA VAL 24 HA VAL 24 183.535 -0.633 3.771 157 HB VAL 24 HB VAL 24 181.252 -2.062 2.408 158 HG11 VAL 24 HG11 VAL 24 181.035 0.390 1.492 159 HG12 VAL 24 HG12 VAL 24 181.894 0.790 2.979 160 HG13 VAL 24 HG13 VAL 24 180.349 -0.056 3.054 161 HG21 VAL 24 HG21 VAL 24 183.775 -1.855 1.397 162 HG22 VAL 24 HG22 VAL 24 183.021 -0.384 0.782 163 HG23 VAL 24 HG23 VAL 24 182.305 -1.955 0.428 164 H SER 25 H SER 25 182.096 0.462 5.125 165 HA SER 25 HA SER 25 180.192 -1.111 6.680 166 HB2 SER 25 HB2 SER 25 181.942 0.701 8.265 167 HB3 SER 25 HB3 SER 25 181.162 -0.810 8.736 168 HG SER 25 HG SER 25 182.733 -1.897 7.440 169 H ILE 26 H ILE 26 178.545 0.110 7.653 170 HA ILE 26 HA ILE 26 178.546 3.010 7.225 171 HB ILE 26 HB ILE 26 176.237 2.887 6.248 172 HG12 ILE 26 HG12 ILE 26 176.596 0.241 5.116 173 HG13 ILE 26 HG13 ILE 26 176.497 0.180 6.871 174 HG21 ILE 26 HG21 ILE 26 177.021 2.337 3.963 175 HG22 ILE 26 HG22 ILE 26 178.515 1.717 4.665 176 HG23 ILE 26 HG23 ILE 26 178.100 3.422 4.836 177 HD11 ILE 26 HD11 ILE 26 174.321 -0.089 5.727 178 HD12 ILE 26 HD12 ILE 26 174.486 1.555 5.109 179 HD13 ILE 26 HD13 ILE 26 174.369 1.273 6.846 180 HA PRO 27 HA PRO 27 176.811 2.781 11.361 181 HB2 PRO 27 HB2 PRO 27 175.632 5.382 10.492 182 HB3 PRO 27 HB3 PRO 27 176.512 4.986 11.973 183 HG2 PRO 27 HG2 PRO 27 177.693 6.348 10.012 184 HG3 PRO 27 HG3 PRO 27 178.582 5.129 10.941 185 HD2 PRO 27 HD2 PRO 27 177.502 4.984 8.170 186 HD3 PRO 27 HD3 PRO 27 178.957 4.237 8.856 187 H ASP 28 H ASP 28 175.128 1.440 11.638 188 HA ASP 28 HA ASP 28 172.820 1.557 9.910 189 HB2 ASP 28 HB2 ASP 28 173.779 -0.606 10.674 190 HB3 ASP 28 HB3 ASP 28 173.298 -0.205 12.319 191 H ASP 29 H ASP 29 171.286 2.999 10.251 192 HA ASP 29 HA ASP 29 170.665 3.814 12.998 193 HB2 ASP 29 HB2 ASP 29 171.189 5.558 11.222 194 HB3 ASP 29 HB3 ASP 29 169.667 5.109 10.456 195 H GLY 30 H GLY 30 169.869 1.301 12.301 196 HA2 GLY 30 HA2 GLY 30 168.055 -0.076 12.382 197 HA3 GLY 30 HA3 GLY 30 167.152 1.326 12.920 198 H PHE 31 H PHE 31 168.800 1.172 9.819 199 HA PHE 31 HA PHE 31 166.525 1.980 8.394 200 HB2 PHE 31 HB2 PHE 31 169.078 0.663 7.453 201 HB3 PHE 31 HB3 PHE 31 167.854 1.301 6.360 202 HD1 PHE 31 HD1 PHE 31 167.361 3.749 6.383 203 HD2 PHE 31 HD2 PHE 31 170.649 2.067 8.495 204 HE1 PHE 31 HE1 PHE 31 168.402 5.973 6.524 205 HE2 PHE 31 HE2 PHE 31 171.696 4.287 8.640 206 HZ PHE 31 HZ PHE 31 170.574 6.243 7.650 207 H SER 32 H SER 32 167.772 -0.623 6.681 208 HA SER 32 HA SER 32 166.397 -2.839 7.585 209 HB2 SER 32 HB2 SER 32 164.405 -1.286 7.074 210 HB3 SER 32 HB3 SER 32 164.821 -1.519 5.377 211 HG SER 32 HG SER 32 163.739 -3.307 7.211 212 H LEU 33 H LEU 33 167.398 -0.929 4.795 213 HA LEU 33 HA LEU 33 168.704 -3.349 3.753 214 HB2 LEU 33 HB2 LEU 33 166.480 -2.851 2.546 215 HB3 LEU 33 HB3 LEU 33 167.327 -1.479 1.877 216 HG LEU 33 HG LEU 33 169.103 -3.140 1.100 217 HD11 LEU 33 HD11 LEU 33 168.721 -5.368 1.142 218 HD12 LEU 33 HD12 LEU 33 166.972 -5.186 1.005 219 HD13 LEU 33 HD13 LEU 33 167.766 -4.938 2.561 220 HD21 LEU 33 HD21 LEU 33 168.159 -3.128 -0.957 221 HD22 LEU 33 HD22 LEU 33 167.066 -1.987 -0.170 222 HD23 LEU 33 HD23 LEU 33 166.588 -3.673 -0.367 223 H PHE 34 H PHE 34 170.711 -3.031 3.080 224 HA PHE 34 HA PHE 34 171.617 -0.280 2.599 225 HB2 PHE 34 HB2 PHE 34 172.565 -0.933 4.657 226 HB3 PHE 34 HB3 PHE 34 172.917 -2.544 4.078 227 HD1 PHE 34 HD1 PHE 34 173.714 0.917 2.931 228 HD2 PHE 34 HD2 PHE 34 175.153 -2.975 3.871 229 HE1 PHE 34 HE1 PHE 34 175.991 1.615 2.322 230 HE2 PHE 34 HE2 PHE 34 177.435 -2.284 3.260 231 HZ PHE 34 HZ PHE 34 177.856 0.014 2.483 232 H ALA 35 H ALA 35 171.605 -0.289 0.383 233 HA ALA 35 HA ALA 35 173.021 -2.456 -1.002 234 HB1 ALA 35 HB1 ALA 35 171.188 -2.321 -2.287 235 HB2 ALA 35 HB2 ALA 35 171.962 -0.896 -2.980 236 HB3 ALA 35 HB3 ALA 35 170.772 -0.714 -1.691 237 H PHE 36 H PHE 36 175.066 -2.110 -1.543 238 HA PHE 36 HA PHE 36 176.005 0.664 -1.791 239 HB2 PHE 36 HB2 PHE 36 177.131 -0.686 -0.077 240 HB3 PHE 36 HB3 PHE 36 177.573 -1.876 -1.296 241 HD1 PHE 36 HD1 PHE 36 179.190 -1.257 -3.082 242 HD2 PHE 36 HD2 PHE 36 178.394 1.278 0.243 243 HE1 PHE 36 HE1 PHE 36 181.271 -0.022 -3.529 244 HE2 PHE 36 HE2 PHE 36 180.474 2.516 -0.199 245 HZ PHE 36 HZ PHE 36 181.916 1.865 -2.086 246 H HIS 37 H HIS 37 176.641 1.433 -3.694 247 HA HIS 37 HA HIS 37 177.229 -0.443 -5.875 248 HB2 HIS 37 HB2 HIS 37 175.154 1.497 -5.652 249 HB3 HIS 37 HB3 HIS 37 176.288 2.045 -6.870 250 HD1 HIS 37 HD1 HIS 37 173.651 1.376 -7.975 251 HD2 HIS 37 HD2 HIS 37 176.521 -1.558 -7.360 252 HE1 HIS 37 HE1 HIS 37 172.963 -0.546 -9.438 253 HE2 HIS 37 HE2 HIS 37 174.761 -2.281 -9.111 254 H GLY 38 H GLY 38 179.307 -0.170 -6.622 255 HA2 GLY 38 HA2 GLY 38 180.355 2.526 -6.861 256 HA3 GLY 38 HA3 GLY 38 181.145 1.562 -5.626 257 H LYS 39 H LYS 39 182.112 2.741 -8.164 258 HA LYS 39 HA LYS 39 183.136 0.263 -9.380 259 HB2 LYS 39 HB2 LYS 39 183.459 1.655 -11.465 260 HB3 LYS 39 HB3 LYS 39 181.790 1.299 -11.041 261 HG2 LYS 39 HG2 LYS 39 182.623 3.765 -9.826 262 HG3 LYS 39 HG3 LYS 39 182.928 3.796 -11.563 263 HD2 LYS 39 HD2 LYS 39 180.311 2.734 -10.662 264 HD3 LYS 39 HD3 LYS 39 180.576 4.471 -10.502 265 HE2 LYS 39 HE2 LYS 39 179.523 3.642 -12.673 266 HE3 LYS 39 HE3 LYS 39 180.887 4.752 -12.806 267 HZ1 LYS 39 HZ1 LYS 39 181.058 1.797 -13.057 268 HZ2 LYS 39 HZ2 LYS 39 182.338 2.886 -13.238 269 HZ3 LYS 39 HZ3 LYS 39 181.065 2.888 -14.350 270 H LEU 40 H LEU 40 185.310 0.475 -10.326 271 HA LEU 40 HA LEU 40 187.000 2.077 -8.558 272 HB2 LEU 40 HB2 LEU 40 187.321 -0.413 -8.864 273 HB3 LEU 40 HB3 LEU 40 187.868 -0.062 -10.492 274 HG LEU 40 HG LEU 40 189.713 1.296 -9.564 275 HD11 LEU 40 HD11 LEU 40 190.207 1.193 -7.180 276 HD12 LEU 40 HD12 LEU 40 188.719 0.290 -6.902 277 HD13 LEU 40 HD13 LEU 40 188.645 1.957 -7.472 278 HD21 LEU 40 HD21 LEU 40 189.518 -1.537 -8.552 279 HD22 LEU 40 HD22 LEU 40 191.007 -0.595 -8.636 280 HD23 LEU 40 HD23 LEU 40 190.142 -1.012 -10.116 281 H ASN 41 H ASN 41 187.765 3.947 -9.239 282 HA ASN 41 HA ASN 41 188.491 5.642 -10.569 283 HB2 ASN 41 HB2 ASN 41 190.264 3.911 -11.015 284 HB3 ASN 41 HB3 ASN 41 189.373 3.461 -12.466 285 HD21 ASN 41 HD21 ASN 41 190.307 4.251 -14.195 286 HD22 ASN 41 HD22 ASN 41 191.013 5.821 -14.350 287 H GLU 42 H GLU 42 186.109 5.994 -10.861 288 HA GLU 42 HA GLU 42 185.496 6.877 -13.371 289 HB2 GLU 42 HB2 GLU 42 185.472 4.571 -14.159 290 HB3 GLU 42 HB3 GLU 42 184.322 4.129 -12.905 291 HG2 GLU 42 HG2 GLU 42 182.666 5.625 -13.902 292 HG3 GLU 42 HG3 GLU 42 183.820 6.051 -15.164 293 H GLU 43 H GLU 43 184.316 8.488 -12.668 294 HA GLU 43 HA GLU 43 182.786 8.571 -10.346 295 HB2 GLU 43 HB2 GLU 43 182.318 10.252 -12.809 296 HB3 GLU 43 HB3 GLU 43 181.906 10.664 -11.149 297 HG2 GLU 43 HG2 GLU 43 184.232 10.797 -10.560 298 HG3 GLU 43 HG3 GLU 43 184.696 10.253 -12.166 299 H MET 44 H MET 44 180.339 9.605 -10.962 300 HA MET 44 HA MET 44 178.885 7.726 -12.616 301 HB2 MET 44 HB2 MET 44 177.522 7.813 -10.074 302 HB3 MET 44 HB3 MET 44 178.012 6.422 -11.025 303 HG2 MET 44 HG2 MET 44 180.119 6.318 -9.959 304 HG3 MET 44 HG3 MET 44 179.897 7.900 -9.213 305 HE1 MET 44 HE1 MET 44 179.772 4.187 -8.699 306 HE2 MET 44 HE2 MET 44 178.184 4.332 -9.450 307 HE3 MET 44 HE3 MET 44 178.316 3.872 -7.754 308 H ASP 45 H ASP 45 176.786 8.412 -13.128 309 HA ASP 45 HA ASP 45 175.972 11.036 -12.110 310 HB2 ASP 45 HB2 ASP 45 177.231 11.286 -14.271 311 HB3 ASP 45 HB3 ASP 45 175.975 10.330 -15.049 312 H GLY 46 H GLY 46 174.413 9.781 -10.931 313 HA2 GLY 46 HA2 GLY 46 172.134 9.415 -10.732 314 HA3 GLY 46 HA3 GLY 46 172.039 9.290 -12.465 315 H LEU 47 H LEU 47 172.350 7.672 -9.554 316 HA LEU 47 HA LEU 47 172.969 5.470 -9.037 317 HB2 LEU 47 HB2 LEU 47 170.554 4.843 -10.641 318 HB3 LEU 47 HB3 LEU 47 170.970 4.389 -9.001 319 HG LEU 47 HG LEU 47 170.220 7.202 -9.760 320 HD11 LEU 47 HD11 LEU 47 168.481 4.914 -8.856 321 HD12 LEU 47 HD12 LEU 47 168.294 5.929 -10.288 322 HD13 LEU 47 HD13 LEU 47 168.011 6.606 -8.684 323 HD21 LEU 47 HD21 LEU 47 171.511 6.426 -7.589 324 HD22 LEU 47 HD22 LEU 47 169.880 6.019 -7.055 325 HD23 LEU 47 HD23 LEU 47 170.265 7.673 -7.530 326 H GLU 48 H GLU 48 174.827 4.904 -10.146 327 HA GLU 48 HA GLU 48 174.459 3.566 -12.739 328 HB2 GLU 48 HB2 GLU 48 176.716 5.011 -11.461 329 HB3 GLU 48 HB3 GLU 48 177.129 3.641 -12.482 330 HG2 GLU 48 HG2 GLU 48 175.393 4.912 -14.091 331 HG3 GLU 48 HG3 GLU 48 176.049 6.283 -13.197 332 H ALA 49 H ALA 49 174.945 1.440 -13.013 333 HA ALA 49 HA ALA 49 174.759 -0.320 -10.908 334 HB1 ALA 49 HB1 ALA 49 175.741 -2.009 -12.541 335 HB2 ALA 49 HB2 ALA 49 175.845 -0.667 -13.681 336 HB3 ALA 49 HB3 ALA 49 174.278 -1.160 -13.041 337 H GLY 50 H GLY 50 177.602 1.213 -12.242 338 HA2 GLY 50 HA2 GLY 50 179.827 1.108 -11.674 339 HA3 GLY 50 HA3 GLY 50 179.211 0.955 -10.035 340 H HIS 51 H HIS 51 180.539 -0.533 -9.170 341 HA HIS 51 HA HIS 51 180.684 -3.138 -10.515 342 HB2 HIS 51 HB2 HIS 51 182.874 -2.028 -10.525 343 HB3 HIS 51 HB3 HIS 51 182.799 -1.856 -8.778 344 HD1 HIS 51 HD1 HIS 51 183.865 -3.677 -7.474 345 HD2 HIS 51 HD2 HIS 51 182.903 -4.879 -11.334 346 HE1 HIS 51 HE1 HIS 51 184.804 -5.997 -7.709 347 HE2 HIS 51 HE2 HIS 51 184.297 -6.665 -10.086 348 H TRP 52 H TRP 52 181.574 -2.003 -7.267 349 HA TRP 52 HA TRP 52 180.636 -4.304 -5.965 350 HB2 TRP 52 HB2 TRP 52 181.111 -1.503 -4.926 351 HB3 TRP 52 HB3 TRP 52 180.750 -2.884 -3.893 352 HD1 TRP 52 HD1 TRP 52 182.617 -4.954 -4.034 353 HE1 TRP 52 HE1 TRP 52 185.170 -4.791 -4.276 354 HE3 TRP 52 HE3 TRP 52 182.957 -0.187 -5.846 355 HZ2 TRP 52 HZ2 TRP 52 187.084 -2.891 -5.123 356 HZ3 TRP 52 HZ3 TRP 52 185.185 0.729 -6.346 357 HH2 TRP 52 HH2 TRP 52 187.204 -0.597 -5.990 358 H ALA 53 H ALA 53 178.566 -4.786 -6.666 359 HA ALA 53 HA ALA 53 176.441 -2.947 -5.776 360 HB1 ALA 53 HB1 ALA 53 175.105 -3.554 -7.589 361 HB2 ALA 53 HB2 ALA 53 176.052 -5.005 -7.923 362 HB3 ALA 53 HB3 ALA 53 176.717 -3.413 -8.290 363 H ARG 54 H ARG 54 176.421 -3.925 -3.682 364 HA ARG 54 HA ARG 54 175.124 -6.561 -3.670 365 HB2 ARG 54 HB2 ARG 54 177.434 -6.843 -3.023 366 HB3 ARG 54 HB3 ARG 54 177.296 -5.565 -1.831 367 HG2 ARG 54 HG2 ARG 54 176.908 -7.195 -0.361 368 HG3 ARG 54 HG3 ARG 54 175.302 -7.303 -1.086 369 HD2 ARG 54 HD2 ARG 54 177.730 -8.980 -1.653 370 HD3 ARG 54 HD3 ARG 54 176.146 -9.503 -1.084 371 HE ARG 54 HE ARG 54 176.947 -9.084 -3.794 372 HH11 ARG 54 HH11 ARG 54 174.220 -8.999 -1.618 373 HH12 ARG 54 HH12 ARG 54 173.055 -9.274 -2.868 374 HH21 ARG 54 HH21 ARG 54 175.414 -9.445 -5.440 375 HH22 ARG 54 HH22 ARG 54 173.731 -9.529 -5.039 376 H ASP 55 H ASP 55 173.267 -6.632 -2.602 377 HA ASP 55 HA ASP 55 172.448 -4.334 -1.001 378 HB2 ASP 55 HB2 ASP 55 170.203 -5.581 -1.091 379 HB3 ASP 55 HB3 ASP 55 170.801 -4.876 -2.586 380 H ILE 56 H ILE 56 172.933 -4.450 1.104 381 HA ILE 56 HA ILE 56 173.079 -7.043 2.426 382 HB ILE 56 HB ILE 56 173.600 -4.395 3.751 383 HG12 ILE 56 HG12 ILE 56 174.934 -4.428 1.697 384 HG13 ILE 56 HG13 ILE 56 175.969 -4.630 3.107 385 HG21 ILE 56 HG21 ILE 56 174.995 -6.997 4.252 386 HG22 ILE 56 HG22 ILE 56 173.424 -6.655 4.974 387 HG23 ILE 56 HG23 ILE 56 174.801 -5.612 5.326 388 HD11 ILE 56 HD11 ILE 56 175.441 -7.210 2.466 389 HD12 ILE 56 HD12 ILE 56 176.855 -6.303 1.925 390 HD13 ILE 56 HD13 ILE 56 175.444 -6.445 0.876 391 H THR 57 H THR 57 171.642 -7.790 3.871 392 HA THR 57 HA THR 57 169.522 -5.976 4.803 393 HB THR 57 HB THR 57 168.649 -7.375 2.977 394 HG1 THR 57 HG1 THR 57 167.681 -8.109 5.538 395 HG21 THR 57 HG21 THR 57 168.497 -9.717 3.065 396 HG22 THR 57 HG22 THR 57 169.089 -9.771 4.725 397 HG23 THR 57 HG23 THR 57 170.181 -9.329 3.412 398 H LYS 58 H LYS 58 171.889 -6.715 6.184 399 HA LYS 58 HA LYS 58 170.736 -7.669 8.624 400 HB2 LYS 58 HB2 LYS 58 172.320 -9.583 8.890 401 HB3 LYS 58 HB3 LYS 58 171.104 -9.834 7.645 402 HG2 LYS 58 HG2 LYS 58 173.310 -8.657 6.364 403 HG3 LYS 58 HG3 LYS 58 173.956 -9.902 7.435 404 HD2 LYS 58 HD2 LYS 58 173.083 -11.579 6.213 405 HD3 LYS 58 HD3 LYS 58 171.575 -10.709 5.920 406 HE2 LYS 58 HE2 LYS 58 172.273 -9.949 3.935 407 HE3 LYS 58 HE3 LYS 58 173.869 -9.531 4.557 408 HZ1 LYS 58 HZ1 LYS 58 174.731 -11.488 3.903 409 HZ2 LYS 58 HZ2 LYS 58 173.441 -11.485 2.810 410 HZ3 LYS 58 HZ3 LYS 58 173.329 -12.368 4.248 411 HA PRO 59 HA PRO 59 174.014 -4.479 9.180 412 HB2 PRO 59 HB2 PRO 59 172.634 -4.465 11.815 413 HB3 PRO 59 HB3 PRO 59 173.127 -3.108 10.798 414 HG2 PRO 59 HG2 PRO 59 170.567 -3.848 10.954 415 HG3 PRO 59 HG3 PRO 59 171.270 -3.301 9.422 416 HD2 PRO 59 HD2 PRO 59 170.593 -6.063 10.318 417 HD3 PRO 59 HD3 PRO 59 170.500 -5.346 8.696 418 H LYS 60 H LYS 60 175.605 -4.205 10.941 419 HA LYS 60 HA LYS 60 176.286 -6.800 12.161 420 HB2 LYS 60 HB2 LYS 60 177.813 -5.197 10.434 421 HB3 LYS 60 HB3 LYS 60 178.516 -4.954 12.026 422 HG2 LYS 60 HG2 LYS 60 177.932 -7.746 11.277 423 HG3 LYS 60 HG3 LYS 60 179.222 -6.945 10.378 424 HD2 LYS 60 HD2 LYS 60 180.303 -6.344 12.509 425 HD3 LYS 60 HD3 LYS 60 179.033 -7.205 13.378 426 HE2 LYS 60 HE2 LYS 60 180.853 -8.474 11.338 427 HE3 LYS 60 HE3 LYS 60 181.141 -8.507 13.077 428 HZ1 LYS 60 HZ1 LYS 60 178.516 -9.399 12.227 429 HZ2 LYS 60 HZ2 LYS 60 179.552 -10.042 13.397 430 HZ3 LYS 60 HZ3 LYS 60 179.801 -10.395 11.763 431 H GLU 61 H GLU 61 174.503 -5.133 13.376 432 HA GLU 61 HA GLU 61 174.006 -4.346 15.424 433 HB2 GLU 61 HB2 GLU 61 176.704 -5.436 15.871 434 HB3 GLU 61 HB3 GLU 61 176.212 -4.190 17.009 435 HG2 GLU 61 HG2 GLU 61 175.374 -5.949 18.125 436 HG3 GLU 61 HG3 GLU 61 174.008 -5.711 17.036 437 H GLY 62 H GLY 62 173.482 -2.380 14.602 438 HA2 GLY 62 HA2 GLY 62 173.536 -0.083 14.652 439 HA3 GLY 62 HA3 GLY 62 174.995 -0.191 15.630 440 H ARG 63 H ARG 63 175.665 -2.065 13.048 441 HA ARG 63 HA ARG 63 176.237 0.014 11.129 442 HB2 ARG 63 HB2 ARG 63 178.078 -0.140 13.071 443 HB3 ARG 63 HB3 ARG 63 178.701 -1.385 11.998 444 HG2 ARG 63 HG2 ARG 63 179.216 0.104 10.338 445 HG3 ARG 63 HG3 ARG 63 177.990 1.266 10.851 446 HD2 ARG 63 HD2 ARG 63 179.464 1.471 12.984 447 HD3 ARG 63 HD3 ARG 63 180.722 0.778 11.962 448 HE ARG 63 HE ARG 63 179.776 2.815 10.462 449 HH11 ARG 63 HH11 ARG 63 180.905 2.615 13.758 450 HH12 ARG 63 HH12 ARG 63 181.495 4.243 13.787 451 HH21 ARG 63 HH21 ARG 63 180.551 4.957 10.499 452 HH22 ARG 63 HH22 ARG 63 181.292 5.574 11.938 453 H TRP 64 H TRP 64 176.079 -0.854 9.128 454 HA TRP 64 HA TRP 64 175.954 -3.701 8.825 455 HB2 TRP 64 HB2 TRP 64 176.043 -1.647 6.626 456 HB3 TRP 64 HB3 TRP 64 175.447 -3.284 6.530 457 HD1 TRP 64 HD1 TRP 64 174.487 -0.108 8.575 458 HE1 TRP 64 HE1 TRP 64 171.917 0.001 8.663 459 HE3 TRP 64 HE3 TRP 64 173.393 -4.393 6.004 460 HZ2 TRP 64 HZ2 TRP 64 169.721 -1.517 7.762 461 HZ3 TRP 64 HZ3 TRP 64 171.030 -4.991 5.662 462 HH2 TRP 64 HH2 TRP 64 169.232 -3.581 6.526 463 H THR 65 H THR 65 177.301 -4.923 7.417 464 HA THR 65 HA THR 65 179.955 -3.774 6.919 465 HB THR 65 HB THR 65 179.477 -6.486 8.167 466 HG1 THR 65 HG1 THR 65 180.491 -5.476 9.991 467 HG21 THR 65 HG21 THR 65 181.501 -6.444 6.817 468 HG22 THR 65 HG22 THR 65 181.878 -6.532 8.538 469 HG23 THR 65 HG23 THR 65 182.048 -5.004 7.674 470 H PHE 66 H PHE 66 180.501 -4.014 4.877 471 HA PHE 66 HA PHE 66 179.497 -6.360 3.404 472 HB2 PHE 66 HB2 PHE 66 178.396 -4.367 2.567 473 HB3 PHE 66 HB3 PHE 66 179.941 -3.543 2.389 474 HD1 PHE 66 HD1 PHE 66 178.995 -7.006 1.425 475 HD2 PHE 66 HD2 PHE 66 180.124 -3.117 0.117 476 HE1 PHE 66 HE1 PHE 66 179.170 -7.839 -0.883 477 HE2 PHE 66 HE2 PHE 66 180.301 -3.941 -2.193 478 HZ PHE 66 HZ PHE 66 179.824 -6.305 -2.696 479 H ARG 67 H ARG 67 181.094 -7.721 2.949 480 HA ARG 67 HA ARG 67 183.793 -6.629 2.514 481 HB2 ARG 67 HB2 ARG 67 182.789 -8.957 3.976 482 HB3 ARG 67 HB3 ARG 67 184.126 -9.338 2.900 483 HG2 ARG 67 HG2 ARG 67 185.425 -7.507 3.963 484 HG3 ARG 67 HG3 ARG 67 184.104 -7.301 5.115 485 HD2 ARG 67 HD2 ARG 67 184.559 -9.989 5.252 486 HD3 ARG 67 HD3 ARG 67 186.183 -9.360 4.975 487 HE ARG 67 HE ARG 67 184.782 -7.944 7.030 488 HH11 ARG 67 HH11 ARG 67 186.682 -10.791 6.349 489 HH12 ARG 67 HH12 ARG 67 187.239 -10.963 7.981 490 HH21 ARG 67 HH21 ARG 67 185.514 -8.167 9.176 491 HH22 ARG 67 HH22 ARG 67 186.575 -9.474 9.585 492 H ASP 68 H ASP 68 185.014 -7.302 0.772 493 HA ASP 68 HA ASP 68 183.748 -9.082 -1.182 494 HB2 ASP 68 HB2 ASP 68 183.783 -6.307 -1.484 495 HB3 ASP 68 HB3 ASP 68 185.110 -6.874 -2.494 496 H ARG 69 H ARG 69 185.179 -10.712 -1.159 497 HA ARG 69 HA ARG 69 188.034 -10.177 -1.020 498 HB2 ARG 69 HB2 ARG 69 186.559 -12.811 -1.160 499 HB3 ARG 69 HB3 ARG 69 188.273 -12.604 -0.829 500 HG2 ARG 69 HG2 ARG 69 187.790 -12.524 1.328 501 HG3 ARG 69 HG3 ARG 69 186.947 -11.001 1.041 502 HD2 ARG 69 HD2 ARG 69 185.270 -12.225 2.007 503 HD3 ARG 69 HD3 ARG 69 184.993 -12.593 0.305 504 HE ARG 69 HE ARG 69 185.564 -14.769 0.719 505 HH11 ARG 69 HH11 ARG 69 186.640 -12.797 3.390 506 HH12 ARG 69 HH12 ARG 69 187.099 -14.151 4.366 507 HH21 ARG 69 HH21 ARG 69 186.167 -16.551 2.003 508 HH22 ARG 69 HH22 ARG 69 186.831 -16.282 3.580 509 H ASN 70 H ASN 70 186.346 -9.564 -3.461 510 HA ASN 70 HA ASN 70 188.104 -10.917 -5.378 511 HB2 ASN 70 HB2 ASN 70 186.135 -11.038 -6.962 512 HB3 ASN 70 HB3 ASN 70 186.071 -12.143 -5.594 513 HD21 ASN 70 HD21 ASN 70 184.982 -8.953 -6.655 514 HD22 ASN 70 HD22 ASN 70 183.480 -8.990 -5.804 515 H ALA 71 H ALA 71 188.459 -8.360 -4.322 516 HA ALA 71 HA ALA 71 187.698 -6.613 -6.567 517 HB1 ALA 71 HB1 ALA 71 187.705 -6.211 -3.704 518 HB2 ALA 71 HB2 ALA 71 186.967 -5.240 -4.976 519 HB3 ALA 71 HB3 ALA 71 188.653 -4.979 -4.533 520 H LYS 72 H LYS 72 189.388 -7.069 -7.954 521 HA LYS 72 HA LYS 72 192.113 -7.091 -7.093 522 HB2 LYS 72 HB2 LYS 72 191.249 -8.335 -9.085 523 HB3 LYS 72 HB3 LYS 72 191.046 -6.792 -9.905 524 HG2 LYS 72 HG2 LYS 72 193.579 -6.493 -9.317 525 HG3 LYS 72 HG3 LYS 72 193.542 -8.252 -9.200 526 HD2 LYS 72 HD2 LYS 72 194.187 -7.604 -11.437 527 HD3 LYS 72 HD3 LYS 72 192.589 -8.349 -11.478 528 HE2 LYS 72 HE2 LYS 72 191.638 -6.493 -12.271 529 HE3 LYS 72 HE3 LYS 72 192.453 -5.476 -11.082 530 HZ1 LYS 72 HZ1 LYS 72 193.441 -6.339 -13.734 531 HZ2 LYS 72 HZ2 LYS 72 194.484 -5.731 -12.549 532 HZ3 LYS 72 HZ3 LYS 72 193.235 -4.764 -13.152 533 H LEU 73 H LEU 73 192.023 -5.013 -5.952 534 HA LEU 73 HA LEU 73 192.082 -2.660 -7.694 535 HB2 LEU 73 HB2 LEU 73 192.406 -2.513 -4.727 536 HB3 LEU 73 HB3 LEU 73 191.681 -1.353 -5.825 537 HG LEU 73 HG LEU 73 190.447 -3.965 -4.950 538 HD11 LEU 73 HD11 LEU 73 189.632 -1.135 -4.314 539 HD12 LEU 73 HD12 LEU 73 190.530 -2.191 -3.222 540 HD13 LEU 73 HD13 LEU 73 188.891 -2.619 -3.714 541 HD21 LEU 73 HD21 LEU 73 188.598 -3.483 -6.279 542 HD22 LEU 73 HD22 LEU 73 189.964 -3.078 -7.319 543 HD23 LEU 73 HD23 LEU 73 189.071 -1.798 -6.496 544 H LYS 74 H LYS 74 193.782 -0.988 -7.114 545 HA LYS 74 HA LYS 74 196.307 -2.176 -6.251 546 HB2 LYS 74 HB2 LYS 74 195.915 -2.211 -8.847 547 HB3 LYS 74 HB3 LYS 74 196.317 -0.501 -8.733 548 HG2 LYS 74 HG2 LYS 74 198.177 -2.306 -7.355 549 HG3 LYS 74 HG3 LYS 74 198.116 -2.481 -9.110 550 HD2 LYS 74 HD2 LYS 74 198.316 0.096 -9.139 551 HD3 LYS 74 HD3 LYS 74 198.869 -0.084 -7.473 552 HE2 LYS 74 HE2 LYS 74 200.407 -1.936 -8.650 553 HE3 LYS 74 HE3 LYS 74 200.190 -0.836 -10.011 554 HZ1 LYS 74 HZ1 LYS 74 202.087 -0.073 -8.930 555 HZ2 LYS 74 HZ2 LYS 74 201.430 -0.286 -7.386 556 HZ3 LYS 74 HZ3 LYS 74 200.874 0.968 -8.374 557 H LEU 75 H LEU 75 197.747 -0.756 -5.355 558 HA LEU 75 HA LEU 75 196.796 1.483 -4.051 559 HB2 LEU 75 HB2 LEU 75 199.092 0.054 -3.977 560 HB3 LEU 75 HB3 LEU 75 199.669 1.512 -4.762 561 HG LEU 75 HG LEU 75 198.056 1.904 -2.312 562 HD11 LEU 75 HD11 LEU 75 200.869 0.826 -2.215 563 HD12 LEU 75 HD12 LEU 75 199.418 -0.023 -1.685 564 HD13 LEU 75 HD13 LEU 75 199.943 1.435 -0.844 565 HD21 LEU 75 HD21 LEU 75 200.628 3.094 -3.346 566 HD22 LEU 75 HD22 LEU 75 199.724 3.651 -1.936 567 HD23 LEU 75 HD23 LEU 75 199.014 3.779 -3.545 568 H GLY 76 H GLY 76 196.548 3.580 -4.509 569 HA2 GLY 76 HA2 GLY 76 197.250 5.594 -5.641 570 HA3 GLY 76 HA3 GLY 76 197.693 4.600 -7.021 571 H ASP 77 H ASP 77 195.214 3.019 -6.801 572 HA ASP 77 HA ASP 77 193.641 4.503 -8.573 573 HB2 ASP 77 HB2 ASP 77 193.777 1.966 -8.310 574 HB3 ASP 77 HB3 ASP 77 192.648 2.156 -6.973 575 H LYS 78 H LYS 78 191.334 5.027 -8.266 576 HA LYS 78 HA LYS 78 190.789 6.022 -5.541 577 HB2 LYS 78 HB2 LYS 78 191.328 7.725 -7.436 578 HB3 LYS 78 HB3 LYS 78 189.711 7.347 -8.018 579 HG2 LYS 78 HG2 LYS 78 188.817 8.001 -5.798 580 HG3 LYS 78 HG3 LYS 78 190.446 8.504 -5.338 581 HD2 LYS 78 HD2 LYS 78 189.465 9.593 -7.892 582 HD3 LYS 78 HD3 LYS 78 188.599 10.142 -6.456 583 HE2 LYS 78 HE2 LYS 78 190.338 11.365 -5.726 584 HE3 LYS 78 HE3 LYS 78 191.520 10.141 -6.190 585 HZ1 LYS 78 HZ1 LYS 78 190.182 11.964 -8.112 586 HZ2 LYS 78 HZ2 LYS 78 191.464 10.909 -8.431 587 HZ3 LYS 78 HZ3 LYS 78 191.707 12.256 -7.438 588 H ILE 79 H ILE 79 188.503 6.205 -5.004 589 HA ILE 79 HA ILE 79 186.901 4.195 -6.434 590 HB ILE 79 HB ILE 79 187.391 4.582 -3.575 591 HG12 ILE 79 HG12 ILE 79 186.662 2.150 -3.627 592 HG13 ILE 79 HG13 ILE 79 186.463 2.337 -5.366 593 HG21 ILE 79 HG21 ILE 79 184.581 4.045 -4.534 594 HG22 ILE 79 HG22 ILE 79 185.121 5.423 -3.577 595 HG23 ILE 79 HG23 ILE 79 185.151 3.803 -2.882 596 HD11 ILE 79 HD11 ILE 79 188.776 2.723 -5.674 597 HD12 ILE 79 HD12 ILE 79 188.626 1.320 -4.617 598 HD13 ILE 79 HD13 ILE 79 189.048 2.893 -3.941 599 H TYR 80 H TYR 80 184.692 4.487 -6.695 600 HA TYR 80 HA TYR 80 183.529 7.085 -6.046 601 HB2 TYR 80 HB2 TYR 80 184.055 6.072 -8.813 602 HB3 TYR 80 HB3 TYR 80 182.562 6.957 -8.516 603 HD1 TYR 80 HD1 TYR 80 182.808 9.273 -7.362 604 HD2 TYR 80 HD2 TYR 80 186.009 7.236 -9.288 605 HE1 TYR 80 HE1 TYR 80 184.022 11.401 -7.582 606 HE2 TYR 80 HE2 TYR 80 187.232 9.358 -9.511 607 HH TYR 80 HH TYR 80 187.236 11.622 -8.247 608 H PHE 81 H PHE 81 181.502 6.733 -5.224 609 HA PHE 81 HA PHE 81 179.864 4.612 -6.323 610 HB2 PHE 81 HB2 PHE 81 179.596 3.500 -4.084 611 HB3 PHE 81 HB3 PHE 81 181.151 3.269 -4.846 612 HD1 PHE 81 HD1 PHE 81 182.952 5.135 -4.149 613 HD2 PHE 81 HD2 PHE 81 179.544 4.003 -1.868 614 HE1 PHE 81 HE1 PHE 81 184.030 6.001 -2.114 615 HE2 PHE 81 HE2 PHE 81 180.616 4.864 0.170 616 HZ PHE 81 HZ PHE 81 182.863 5.866 0.049 617 H TRP 82 H TRP 82 178.033 4.174 -4.639 618 HA TRP 82 HA TRP 82 177.048 6.508 -3.264 619 HB2 TRP 82 HB2 TRP 82 175.043 6.829 -4.521 620 HB3 TRP 82 HB3 TRP 82 176.365 6.850 -5.679 621 HD1 TRP 82 HD1 TRP 82 176.595 4.664 -7.292 622 HE1 TRP 82 HE1 TRP 82 174.798 3.022 -8.129 623 HE3 TRP 82 HE3 TRP 82 172.923 5.672 -3.882 624 HZ2 TRP 82 HZ2 TRP 82 172.168 2.256 -7.437 625 HZ3 TRP 82 HZ3 TRP 82 170.797 4.443 -4.039 626 HH2 TRP 82 HH2 TRP 82 170.430 2.771 -5.779 627 H THR 83 H THR 83 175.793 5.876 -1.547 628 HA THR 83 HA THR 83 175.334 2.978 -1.346 629 HB THR 83 HB THR 83 174.800 3.811 1.136 630 HG1 THR 83 HG1 THR 83 176.696 5.701 0.215 631 HG21 THR 83 HG21 THR 83 177.074 3.380 1.773 632 HG22 THR 83 HG22 THR 83 177.621 3.614 0.113 633 HG23 THR 83 HG23 THR 83 176.591 2.241 0.517 634 H TYR 84 H TYR 84 173.342 2.161 -0.451 635 HA TYR 84 HA TYR 84 171.063 3.993 -0.689 636 HB2 TYR 84 HB2 TYR 84 171.375 2.706 -2.801 637 HB3 TYR 84 HB3 TYR 84 171.172 1.223 -1.879 638 HD1 TYR 84 HD1 TYR 84 169.293 4.434 -1.663 639 HD2 TYR 84 HD2 TYR 84 169.173 0.297 -2.648 640 HE1 TYR 84 HE1 TYR 84 166.861 4.589 -1.988 641 HE2 TYR 84 HE2 TYR 84 166.740 0.440 -2.974 642 HH TYR 84 HH TYR 84 164.867 1.845 -2.283 643 H VAL 85 H VAL 85 170.209 4.010 1.294 644 HA VAL 85 HA VAL 85 170.111 1.505 2.836 645 HB VAL 85 HB VAL 85 169.127 3.748 4.347 646 HG11 VAL 85 HG11 VAL 85 169.987 1.823 5.395 647 HG12 VAL 85 HG12 VAL 85 171.072 3.160 5.783 648 HG13 VAL 85 HG13 VAL 85 171.533 1.976 4.560 649 HG21 VAL 85 HG21 VAL 85 170.329 5.330 3.136 650 HG22 VAL 85 HG22 VAL 85 171.679 4.232 2.848 651 HG23 VAL 85 HG23 VAL 85 171.424 4.916 4.454 652 H ILE 86 H ILE 86 168.087 1.309 4.247 653 HA ILE 86 HA ILE 86 165.676 2.427 3.047 654 HB ILE 86 HB ILE 86 166.011 -0.550 3.388 655 HG12 ILE 86 HG12 ILE 86 167.234 0.305 1.444 656 HG13 ILE 86 HG13 ILE 86 165.846 -0.666 0.963 657 HG21 ILE 86 HG21 ILE 86 163.780 -0.342 3.711 658 HG22 ILE 86 HG22 ILE 86 163.772 -0.277 1.950 659 HG23 ILE 86 HG23 ILE 86 163.694 1.214 2.887 660 HD11 ILE 86 HD11 ILE 86 166.389 1.596 -0.214 661 HD12 ILE 86 HD12 ILE 86 165.506 2.266 1.156 662 HD13 ILE 86 HD13 ILE 86 164.727 1.098 0.094 663 H LYS 87 H LYS 87 164.914 3.427 4.821 664 HA LYS 87 HA LYS 87 164.892 1.975 7.366 665 HB2 LYS 87 HB2 LYS 87 165.643 4.492 6.957 666 HB3 LYS 87 HB3 LYS 87 163.920 4.786 7.130 667 HG2 LYS 87 HG2 LYS 87 165.063 3.063 9.205 668 HG3 LYS 87 HG3 LYS 87 165.704 4.708 9.175 669 HD2 LYS 87 HD2 LYS 87 162.777 4.460 8.917 670 HD3 LYS 87 HD3 LYS 87 163.454 3.998 10.480 671 HE2 LYS 87 HE2 LYS 87 163.773 6.125 11.043 672 HE3 LYS 87 HE3 LYS 87 164.646 6.445 9.545 673 HZ1 LYS 87 HZ1 LYS 87 162.172 6.394 8.623 674 HZ2 LYS 87 HZ2 LYS 87 162.893 7.806 9.214 675 HZ3 LYS 87 HZ3 LYS 87 161.849 6.914 10.201 676 H ASP 88 H ASP 88 163.214 0.535 6.488 677 HA ASP 88 HA ASP 88 161.062 -0.198 6.420 678 HB2 ASP 88 HB2 ASP 88 161.129 1.414 8.587 679 HB3 ASP 88 HB3 ASP 88 159.928 2.266 7.622 680 H GLY 89 H GLY 89 161.774 0.607 4.079 681 HA2 GLY 89 HA2 GLY 89 160.879 1.233 2.048 682 HA3 GLY 89 HA3 GLY 89 159.393 1.647 2.889 683 H LEU 90 H LEU 90 162.246 3.092 4.101 684 HA LEU 90 HA LEU 90 161.935 5.508 2.493 685 HB2 LEU 90 HB2 LEU 90 162.025 5.761 5.478 686 HB3 LEU 90 HB3 LEU 90 161.525 6.948 4.286 687 HG LEU 90 HG LEU 90 159.976 4.437 4.882 688 HD11 LEU 90 HD11 LEU 90 158.932 7.050 5.758 689 HD12 LEU 90 HD12 LEU 90 160.296 6.420 6.682 690 HD13 LEU 90 HD13 LEU 90 158.821 5.466 6.525 691 HD21 LEU 90 HD21 LEU 90 158.481 5.122 3.346 692 HD22 LEU 90 HD22 LEU 90 159.859 6.011 2.692 693 HD23 LEU 90 HD23 LEU 90 158.696 6.828 3.740 694 H GLY 91 H GLY 91 163.974 4.385 1.852 695 HA2 GLY 91 HA2 GLY 91 166.157 4.492 3.667 696 HA3 GLY 91 HA3 GLY 91 166.210 3.985 2.000 697 H TYR 92 H TYR 92 168.273 5.157 2.271 698 HA TYR 92 HA TYR 92 168.010 7.802 1.106 699 HB2 TYR 92 HB2 TYR 92 169.708 7.420 3.583 700 HB3 TYR 92 HB3 TYR 92 169.439 8.919 2.699 701 HD1 TYR 92 HD1 TYR 92 167.721 6.351 4.761 702 HD2 TYR 92 HD2 TYR 92 167.643 10.329 3.256 703 HE1 TYR 92 HE1 TYR 92 165.806 6.856 6.218 704 HE2 TYR 92 HE2 TYR 92 165.729 10.847 4.710 705 HH TYR 92 HH TYR 92 163.763 9.031 5.881 706 H ARG 93 H ARG 93 170.358 8.591 0.492 707 HA ARG 93 HA ARG 93 172.128 6.329 0.073 708 HB2 ARG 93 HB2 ARG 93 172.329 6.716 -2.292 709 HB3 ARG 93 HB3 ARG 93 170.629 6.461 -1.880 710 HG2 ARG 93 HG2 ARG 93 170.751 9.143 -1.717 711 HG3 ARG 93 HG3 ARG 93 171.982 8.845 -2.947 712 HD2 ARG 93 HD2 ARG 93 170.374 8.610 -4.459 713 HD3 ARG 93 HD3 ARG 93 169.782 7.201 -3.581 714 HE ARG 93 HE ARG 93 167.991 8.452 -2.959 715 HH11 ARG 93 HH11 ARG 93 170.642 10.625 -3.618 716 HH12 ARG 93 HH12 ARG 93 169.704 12.054 -3.341 717 HH21 ARG 93 HH21 ARG 93 166.756 10.330 -2.594 718 HH22 ARG 93 HH22 ARG 93 167.498 11.887 -2.759 719 H GLN 94 H GLN 94 174.240 6.790 -0.169 720 HA GLN 94 HA GLN 94 174.983 9.617 0.188 721 HB2 GLN 94 HB2 GLN 94 175.689 7.615 1.842 722 HB3 GLN 94 HB3 GLN 94 176.997 7.490 0.674 723 HG2 GLN 94 HG2 GLN 94 177.120 10.093 1.051 724 HG3 GLN 94 HG3 GLN 94 176.359 9.669 2.582 725 HE21 GLN 94 HE21 GLN 94 178.836 8.078 0.598 726 HE22 GLN 94 HE22 GLN 94 180.027 7.998 1.846 727 H ASP 95 H ASP 95 174.595 9.759 -2.117 728 HA ASP 95 HA ASP 95 176.311 8.349 -3.929 729 HB2 ASP 95 HB2 ASP 95 175.342 9.906 -5.630 730 HB3 ASP 95 HB3 ASP 95 174.143 9.011 -4.706 731 H ASN 96 H ASN 96 177.484 9.739 -5.637 732 HA ASN 96 HA ASN 96 179.301 11.003 -6.143 733 HB2 ASN 96 HB2 ASN 96 177.746 12.853 -5.721 734 HB3 ASN 96 HB3 ASN 96 178.152 12.812 -4.009 735 HD21 ASN 96 HD21 ASN 96 179.650 13.167 -7.198 736 HD22 ASN 96 HD22 ASN 96 180.835 14.323 -6.704 737 H GLY 97 H GLY 97 179.286 9.050 -3.776 738 HA2 GLY 97 HA2 GLY 97 181.237 10.089 -1.949 739 HA3 GLY 97 HA3 GLY 97 180.700 8.421 -2.055 740 H GLU 98 H GLU 98 183.334 9.077 -1.596 741 HA GLU 98 HA GLU 98 184.582 7.775 -3.856 742 HB2 GLU 98 HB2 GLU 98 184.695 10.181 -4.438 743 HB3 GLU 98 HB3 GLU 98 185.557 10.488 -2.939 744 HG2 GLU 98 HG2 GLU 98 187.083 8.532 -4.057 745 HG3 GLU 98 HG3 GLU 98 186.517 9.408 -5.478 746 H TRP 99 H TRP 99 186.538 6.769 -3.341 747 HA TRP 99 HA TRP 99 187.561 7.094 -0.628 748 HB2 TRP 99 HB2 TRP 99 185.967 5.281 -0.401 749 HB3 TRP 99 HB3 TRP 99 186.672 4.447 -1.779 750 HD1 TRP 99 HD1 TRP 99 187.811 5.603 1.754 751 HE1 TRP 99 HE1 TRP 99 189.466 3.845 2.649 752 HE3 TRP 99 HE3 TRP 99 187.986 2.534 -2.306 753 HZ2 TRP 99 HZ2 TRP 99 190.689 1.463 1.730 754 HZ3 TRP 99 HZ3 TRP 99 189.412 0.537 -2.232 755 HH2 TRP 99 HH2 TRP 99 190.731 0.017 -0.255 756 H THR 100 H THR 100 189.668 5.900 -0.342 757 HA THR 100 HA THR 100 191.221 6.148 -2.827 758 HB THR 100 HB THR 100 191.730 7.589 -0.816 759 HG1 THR 100 HG1 THR 100 194.049 6.151 -1.186 760 HG21 THR 100 HG21 THR 100 192.119 4.955 0.432 761 HG22 THR 100 HG22 THR 100 191.773 6.526 1.155 762 HG23 THR 100 HG23 THR 100 193.424 6.112 0.699 763 H VAL 101 H VAL 101 192.980 4.720 -3.231 764 HA VAL 101 HA VAL 101 192.684 2.055 -1.998 765 HB VAL 101 HB VAL 101 193.703 2.474 -4.803 766 HG11 VAL 101 HG11 VAL 101 193.864 0.243 -4.888 767 HG12 VAL 101 HG12 VAL 101 192.306 0.006 -4.097 768 HG13 VAL 101 HG13 VAL 101 193.750 0.299 -3.130 769 HG21 VAL 101 HG21 VAL 101 190.859 2.076 -3.879 770 HG22 VAL 101 HG22 VAL 101 191.397 1.711 -5.518 771 HG23 VAL 101 HG23 VAL 101 191.499 3.359 -4.905 772 H THR 102 H THR 102 194.664 4.688 -2.264 773 HA THR 102 HA THR 102 197.210 3.617 -2.719 774 HB THR 102 HB THR 102 196.540 5.959 -0.937 775 HG1 THR 102 HG1 THR 102 196.677 5.741 -3.748 776 HG21 THR 102 HG21 THR 102 198.920 5.195 -0.978 777 HG22 THR 102 HG22 THR 102 198.650 6.853 -1.517 778 HG23 THR 102 HG23 THR 102 198.939 5.577 -2.701 779 H GLU 103 H GLU 103 195.127 3.217 -0.045 780 HA GLU 103 HA GLU 103 197.373 2.132 1.526 781 HB2 GLU 103 HB2 GLU 103 194.904 3.533 2.567 782 HB3 GLU 103 HB3 GLU 103 196.107 2.737 3.573 783 HG2 GLU 103 HG2 GLU 103 197.807 4.308 2.577 784 HG3 GLU 103 HG3 GLU 103 196.449 5.190 1.876 785 H PHE 104 H PHE 104 196.948 0.252 2.764 786 HA PHE 104 HA PHE 104 194.415 -1.108 2.165 787 HB2 PHE 104 HB2 PHE 104 197.179 -2.331 1.988 788 HB3 PHE 104 HB3 PHE 104 195.676 -3.234 1.878 789 HD1 PHE 104 HD1 PHE 104 197.323 -0.290 0.275 790 HD2 PHE 104 HD2 PHE 104 194.907 -3.759 -0.212 791 HE1 PHE 104 HE1 PHE 104 197.286 0.080 -2.158 792 HE2 PHE 104 HE2 PHE 104 194.868 -3.398 -2.644 793 HZ PHE 104 HZ PHE 104 196.058 -1.476 -3.625 794 H VAL 105 H VAL 105 193.660 -2.478 3.809 795 HA VAL 105 HA VAL 105 195.000 -2.053 6.375 796 HB VAL 105 HB VAL 105 192.948 -2.626 7.478 797 HG11 VAL 105 HG11 VAL 105 191.532 -0.841 6.739 798 HG12 VAL 105 HG12 VAL 105 192.257 -0.861 5.130 799 HG13 VAL 105 HG13 VAL 105 193.210 -0.340 6.519 800 HG21 VAL 105 HG21 VAL 105 192.401 -4.067 5.085 801 HG22 VAL 105 HG22 VAL 105 191.105 -2.892 5.315 802 HG23 VAL 105 HG23 VAL 105 191.482 -4.051 6.590 803 H ASN 106 H ASN 106 194.901 -3.852 7.936 804 HA ASN 106 HA ASN 106 195.970 -6.251 6.698 805 HB2 ASN 106 HB2 ASN 106 196.860 -4.887 8.782 806 HB3 ASN 106 HB3 ASN 106 195.728 -5.920 9.647 807 HD21 ASN 106 HD21 ASN 106 197.020 -7.284 10.683 808 HD22 ASN 106 HD22 ASN 106 198.190 -8.307 9.935 809 H GLU 107 H GLU 107 195.282 -8.353 7.164 810 HA GLU 107 HA GLU 107 192.522 -8.783 7.178 811 HB2 GLU 107 HB2 GLU 107 194.826 -10.597 7.912 812 HB3 GLU 107 HB3 GLU 107 193.160 -11.154 7.866 813 HG2 GLU 107 HG2 GLU 107 193.187 -11.360 5.657 814 HG3 GLU 107 HG3 GLU 107 193.904 -9.765 5.438 815 H ASP 108 H ASP 108 194.698 -7.965 9.659 816 HA ASP 108 HA ASP 108 193.304 -9.078 11.885 817 HB2 ASP 108 HB2 ASP 108 195.728 -8.270 11.829 818 HB3 ASP 108 HB3 ASP 108 195.080 -6.638 11.944 819 H GLY 109 H GLY 109 193.048 -6.138 9.994 820 HA2 GLY 109 HA2 GLY 109 190.783 -5.170 9.955 821 HA3 GLY 109 HA3 GLY 109 190.761 -5.355 11.700 822 H THR 110 H THR 110 193.723 -4.283 10.255 823 HA THR 110 HA THR 110 193.015 -1.486 10.670 824 HB THR 110 HB THR 110 194.654 -0.977 12.224 825 HG1 THR 110 HG1 THR 110 195.795 -3.552 11.904 826 HG21 THR 110 HG21 THR 110 194.127 -2.136 14.115 827 HG22 THR 110 HG22 THR 110 194.158 -3.701 13.301 828 HG23 THR 110 HG23 THR 110 192.790 -2.614 13.069 829 HA PRO 111 HA PRO 111 195.352 -0.360 7.232 830 HB2 PRO 111 HB2 PRO 111 196.986 1.386 9.023 831 HB3 PRO 111 HB3 PRO 111 196.146 1.788 7.520 832 HG2 PRO 111 HG2 PRO 111 195.128 2.499 9.878 833 HG3 PRO 111 HG3 PRO 111 194.079 1.947 8.560 834 HD2 PRO 111 HD2 PRO 111 194.928 0.513 11.029 835 HD3 PRO 111 HD3 PRO 111 193.404 0.410 10.144 836 H ALA 112 H ALA 112 196.833 -1.458 6.218 837 HA ALA 112 HA ALA 112 198.852 -2.936 7.580 838 HB1 ALA 112 HB1 ALA 112 199.146 -4.064 5.624 839 HB2 ALA 112 HB2 ALA 112 198.933 -2.620 4.634 840 HB3 ALA 112 HB3 ALA 112 197.529 -3.416 5.345 841 H ASP 113 H ASP 113 200.357 -1.626 8.531 842 HA ASP 113 HA ASP 113 202.118 -0.177 6.692 843 HB2 ASP 113 HB2 ASP 113 200.380 1.254 8.137 844 HB3 ASP 113 HB3 ASP 113 201.644 1.073 9.350 845 H THR 114 H THR 114 204.199 0.468 7.863 846 HA THR 114 HA THR 114 205.012 -1.780 9.581 847 HB THR 114 HB THR 114 207.366 -0.775 8.706 848 HG1 THR 114 HG1 THR 114 205.587 -0.441 6.528 849 HG21 THR 114 HG21 THR 114 206.091 -2.503 6.703 850 HG22 THR 114 HG22 THR 114 206.090 -3.112 8.359 851 HG23 THR 114 HG23 THR 114 207.613 -2.693 7.574 852 H SER 115 H SER 115 204.495 -0.853 11.559 853 HA SER 115 HA SER 115 206.478 0.885 12.654 854 HB2 SER 115 HB2 SER 115 203.755 1.966 12.014 855 HB3 SER 115 HB3 SER 115 204.602 2.542 13.450 856 HG SER 115 HG SER 115 206.256 3.279 12.163 857 H LEU 116 H LEU 116 206.819 0.136 14.632 858 HA LEU 116 HA LEU 116 204.550 -0.629 16.304 859 HB2 LEU 116 HB2 LEU 116 206.456 -2.478 15.127 860 HB3 LEU 116 HB3 LEU 116 206.465 -2.571 16.879 861 HG LEU 116 HG LEU 116 203.996 -2.858 15.165 862 HD11 LEU 116 HD11 LEU 116 205.669 -4.688 14.888 863 HD12 LEU 116 HD12 LEU 116 204.123 -5.207 15.558 864 HD13 LEU 116 HD13 LEU 116 205.521 -5.010 16.614 865 HD21 LEU 116 HD21 LEU 116 204.392 -3.484 18.085 866 HD22 LEU 116 HD22 LEU 116 202.886 -3.531 17.169 867 HD23 LEU 116 HD23 LEU 116 203.677 -1.987 17.485 868 H GLU 117 H GLU 117 205.071 1.308 17.428 869 HA GLU 117 HA GLU 117 205.997 2.494 19.130 870 HB2 GLU 117 HB2 GLU 117 206.239 -0.207 19.855 871 HB3 GLU 117 HB3 GLU 117 207.803 0.512 20.216 872 HG2 GLU 117 HG2 GLU 117 205.729 2.256 21.122 873 HG3 GLU 117 HG3 GLU 117 205.441 0.629 21.734 874 HA PRO 118 HA PRO 118 209.764 3.704 16.978 875 HB2 PRO 118 HB2 PRO 118 210.031 6.122 18.186 876 HB3 PRO 118 HB3 PRO 118 208.892 5.827 16.866 877 HG2 PRO 118 HG2 PRO 118 208.391 5.915 19.816 878 HG3 PRO 118 HG3 PRO 118 207.434 6.614 18.497 879 HD2 PRO 118 HD2 PRO 118 206.757 4.290 19.704 880 HD3 PRO 118 HD3 PRO 118 206.434 4.598 17.986 Start of MODEL 6 1 H GLN 6 H GLN 6 162.605 10.596 10.294 2 HA GLN 6 HA GLN 6 162.974 10.367 8.057 3 HB2 GLN 6 HB2 GLN 6 163.233 12.295 6.565 4 HB3 GLN 6 HB3 GLN 6 161.678 12.335 7.384 5 HG2 GLN 6 HG2 GLN 6 163.401 13.779 9.030 6 HG3 GLN 6 HG3 GLN 6 163.809 14.270 7.387 7 HE21 GLN 6 HE21 GLN 6 162.103 15.090 6.045 8 HE22 GLN 6 HE22 GLN 6 160.742 15.877 6.761 9 H TYR 7 H TYR 7 164.908 9.443 8.433 10 HA TYR 7 HA TYR 7 167.133 11.052 9.404 11 HB2 TYR 7 HB2 TYR 7 166.671 8.795 10.343 12 HB3 TYR 7 HB3 TYR 7 167.060 8.091 8.785 13 HD1 TYR 7 HD1 TYR 7 168.584 10.502 11.209 14 HD2 TYR 7 HD2 TYR 7 169.168 7.186 8.609 15 HE1 TYR 7 HE1 TYR 7 170.950 10.403 11.877 16 HE2 TYR 7 HE2 TYR 7 171.534 7.076 9.270 17 HH TYR 7 HH TYR 7 172.944 7.767 11.191 18 H VAL 8 H VAL 8 169.312 10.360 8.365 19 HA VAL 8 HA VAL 8 169.025 10.622 5.441 20 HB VAL 8 HB VAL 8 171.332 11.656 7.087 21 HG11 VAL 8 HG11 VAL 8 170.539 11.851 4.206 22 HG12 VAL 8 HG12 VAL 8 172.092 11.395 4.906 23 HG13 VAL 8 HG13 VAL 8 171.566 13.078 4.948 24 HG21 VAL 8 HG21 VAL 8 169.102 12.746 7.593 25 HG22 VAL 8 HG22 VAL 8 169.115 13.325 5.929 26 HG23 VAL 8 HG23 VAL 8 170.387 13.821 7.044 27 H VAL 9 H VAL 9 170.838 9.767 4.166 28 HA VAL 9 HA VAL 9 171.450 7.106 4.895 29 HB VAL 9 HB VAL 9 171.230 7.752 2.562 30 HG11 VAL 9 HG11 VAL 9 173.201 9.761 3.319 31 HG12 VAL 9 HG12 VAL 9 172.029 9.758 2.002 32 HG13 VAL 9 HG13 VAL 9 173.579 8.944 1.804 33 HG21 VAL 9 HG21 VAL 9 172.476 5.797 2.754 34 HG22 VAL 9 HG22 VAL 9 173.868 6.632 3.442 35 HG23 VAL 9 HG23 VAL 9 173.486 6.817 1.731 36 HA PRO 10 HA PRO 10 175.099 7.775 7.331 37 HB2 PRO 10 HB2 PRO 10 176.146 5.272 7.207 38 HB3 PRO 10 HB3 PRO 10 174.766 5.696 8.220 39 HG2 PRO 10 HG2 PRO 10 174.824 4.349 5.555 40 HG3 PRO 10 HG3 PRO 10 173.808 3.999 6.965 41 HD2 PRO 10 HD2 PRO 10 172.925 5.397 4.807 42 HD3 PRO 10 HD3 PRO 10 172.303 5.656 6.449 43 H SER 11 H SER 11 177.514 6.796 7.158 44 HA SER 11 HA SER 11 178.468 7.617 4.504 45 HB2 SER 11 HB2 SER 11 179.112 8.930 6.612 46 HB3 SER 11 HB3 SER 11 180.129 7.548 7.014 47 HG SER 11 HG SER 11 180.720 9.549 5.422 48 H ALA 12 H ALA 12 179.479 6.193 3.250 49 HA ALA 12 HA ALA 12 179.938 3.514 4.248 50 HB1 ALA 12 HB1 ALA 12 179.188 4.580 1.794 51 HB2 ALA 12 HB2 ALA 12 179.538 2.891 2.154 52 HB3 ALA 12 HB3 ALA 12 180.810 3.941 1.531 53 H LYS 13 H LYS 13 181.754 3.197 5.368 54 HA LYS 13 HA LYS 13 184.235 4.499 4.509 55 HB2 LYS 13 HB2 LYS 13 183.197 4.145 7.008 56 HB3 LYS 13 HB3 LYS 13 184.285 2.770 6.898 57 HG2 LYS 13 HG2 LYS 13 185.680 4.343 7.786 58 HG3 LYS 13 HG3 LYS 13 185.988 4.582 6.064 59 HD2 LYS 13 HD2 LYS 13 183.753 6.148 7.166 60 HD3 LYS 13 HD3 LYS 13 185.346 6.566 7.801 61 HE2 LYS 13 HE2 LYS 13 185.980 7.519 5.879 62 HE3 LYS 13 HE3 LYS 13 185.323 6.202 4.908 63 HZ1 LYS 13 HZ1 LYS 13 183.081 7.382 5.691 64 HZ2 LYS 13 HZ2 LYS 13 183.898 7.807 4.271 65 HZ3 LYS 13 HZ3 LYS 13 184.108 8.728 5.675 66 H LEU 14 H LEU 14 185.284 3.388 2.981 67 HA LEU 14 HA LEU 14 185.256 0.458 3.083 68 HB2 LEU 14 HB2 LEU 14 186.111 2.294 0.849 69 HB3 LEU 14 HB3 LEU 14 186.001 0.546 0.759 70 HG LEU 14 HG LEU 14 183.504 0.884 1.337 71 HD11 LEU 14 HD11 LEU 14 183.179 3.056 1.929 72 HD12 LEU 14 HD12 LEU 14 182.854 3.183 0.201 73 HD13 LEU 14 HD13 LEU 14 184.428 3.659 0.840 74 HD21 LEU 14 HD21 LEU 14 184.955 1.199 -1.195 75 HD22 LEU 14 HD22 LEU 14 183.291 1.783 -1.215 76 HD23 LEU 14 HD23 LEU 14 183.634 0.111 -0.768 77 H GLU 15 H GLU 15 187.178 -0.738 2.666 78 HA GLU 15 HA GLU 15 189.710 0.651 3.168 79 HB2 GLU 15 HB2 GLU 15 188.815 -1.847 4.619 80 HB3 GLU 15 HB3 GLU 15 190.385 -1.073 4.777 81 HG2 GLU 15 HG2 GLU 15 188.301 0.828 5.286 82 HG3 GLU 15 HG3 GLU 15 188.074 -0.605 6.287 83 H ALA 16 H ALA 16 191.467 -0.232 2.067 84 HA ALA 16 HA ALA 16 190.773 -2.171 0.016 85 HB1 ALA 16 HB1 ALA 16 192.862 -0.165 0.414 86 HB2 ALA 16 HB2 ALA 16 192.108 -0.742 -1.072 87 HB3 ALA 16 HB3 ALA 16 193.431 -1.652 -0.344 88 H ILE 17 H ILE 17 190.657 -4.195 0.789 89 HA ILE 17 HA ILE 17 192.465 -5.246 2.739 90 HB ILE 17 HB ILE 17 190.700 -6.909 0.953 91 HG12 ILE 17 HG12 ILE 17 189.279 -5.138 1.805 92 HG13 ILE 17 HG13 ILE 17 188.926 -6.625 2.680 93 HG21 ILE 17 HG21 ILE 17 191.765 -8.452 2.201 94 HG22 ILE 17 HG22 ILE 17 190.572 -7.995 3.417 95 HG23 ILE 17 HG23 ILE 17 192.190 -7.295 3.464 96 HD11 ILE 17 HD11 ILE 17 189.915 -4.074 3.651 97 HD12 ILE 17 HD12 ILE 17 190.853 -5.450 4.234 98 HD13 ILE 17 HD13 ILE 17 189.113 -5.387 4.514 99 H TYR 18 H TYR 18 194.166 -6.636 2.487 100 HA TYR 18 HA TYR 18 195.234 -6.863 -0.240 101 HB2 TYR 18 HB2 TYR 18 196.552 -5.730 1.655 102 HB3 TYR 18 HB3 TYR 18 196.776 -7.352 2.303 103 HD1 TYR 18 HD1 TYR 18 197.437 -5.213 -0.650 104 HD2 TYR 18 HD2 TYR 18 198.433 -8.786 1.433 105 HE1 TYR 18 HE1 TYR 18 199.373 -5.529 -2.133 106 HE2 TYR 18 HE2 TYR 18 200.372 -9.112 -0.044 107 HH TYR 18 HH TYR 18 200.818 -8.059 -2.758 108 HA PRO 19 HA PRO 19 196.485 -7.853 -1.362 109 HB2 PRO 19 HB2 PRO 19 196.943 -9.767 -3.184 110 HB3 PRO 19 HB3 PRO 19 197.924 -9.623 -1.723 111 HG2 PRO 19 HG2 PRO 19 195.900 -11.642 -2.426 112 HG3 PRO 19 HG3 PRO 19 197.237 -11.746 -1.272 113 HD2 PRO 19 HD2 PRO 19 194.456 -11.189 -0.750 114 HD3 PRO 19 HD3 PRO 19 195.780 -11.360 0.415 115 H ARG 20 H ARG 20 193.490 -9.233 -1.243 116 HA ARG 20 HA ARG 20 192.503 -7.686 -3.391 117 HB2 ARG 20 HB2 ARG 20 193.112 -10.495 -3.866 118 HB3 ARG 20 HB3 ARG 20 191.424 -10.115 -4.184 119 HG2 ARG 20 HG2 ARG 20 192.121 -8.326 -5.705 120 HG3 ARG 20 HG3 ARG 20 193.810 -8.733 -5.397 121 HD2 ARG 20 HD2 ARG 20 192.602 -11.147 -6.096 122 HD3 ARG 20 HD3 ARG 20 191.917 -9.958 -7.203 123 HE ARG 20 HE ARG 20 193.962 -9.772 -8.219 124 HH11 ARG 20 HH11 ARG 20 194.355 -11.419 -5.167 125 HH12 ARG 20 HH12 ARG 20 196.006 -11.844 -5.467 126 HH21 ARG 20 HH21 ARG 20 196.136 -10.330 -8.614 127 HH22 ARG 20 HH22 ARG 20 197.017 -11.225 -7.423 128 H GLY 21 H GLY 21 191.089 -6.781 -1.974 129 HA2 GLY 21 HA2 GLY 21 188.656 -8.097 -1.473 130 HA3 GLY 21 HA3 GLY 21 189.616 -8.112 -0.010 131 H LEU 22 H LEU 22 187.195 -6.862 -0.036 132 HA LEU 22 HA LEU 22 187.992 -4.071 0.345 133 HB2 LEU 22 HB2 LEU 22 186.932 -3.744 -1.669 134 HB3 LEU 22 HB3 LEU 22 185.848 -5.100 -1.446 135 HG LEU 22 HG LEU 22 184.519 -3.773 0.148 136 HD11 LEU 22 HD11 LEU 22 185.451 -1.161 -0.442 137 HD12 LEU 22 HD12 LEU 22 186.819 -2.108 0.141 138 HD13 LEU 22 HD13 LEU 22 185.359 -1.974 1.122 139 HD21 LEU 22 HD21 LEU 22 183.380 -2.534 -1.458 140 HD22 LEU 22 HD22 LEU 22 184.209 -3.766 -2.409 141 HD23 LEU 22 HD23 LEU 22 184.857 -2.127 -2.334 142 H ARG 23 H ARG 23 186.969 -3.041 2.048 143 HA ARG 23 HA ARG 23 184.964 -4.585 3.539 144 HB2 ARG 23 HB2 ARG 23 187.146 -5.012 4.575 145 HB3 ARG 23 HB3 ARG 23 187.413 -3.283 4.744 146 HG2 ARG 23 HG2 ARG 23 185.860 -3.072 6.440 147 HG3 ARG 23 HG3 ARG 23 185.011 -4.551 5.984 148 HD2 ARG 23 HD2 ARG 23 187.528 -5.465 6.584 149 HD3 ARG 23 HD3 ARG 23 187.302 -4.168 7.757 150 HE ARG 23 HE ARG 23 185.069 -5.971 7.572 151 HH11 ARG 23 HH11 ARG 23 188.159 -5.382 9.087 152 HH12 ARG 23 HH12 ARG 23 187.807 -6.364 10.469 153 HH21 ARG 23 HH21 ARG 23 184.606 -7.262 9.390 154 HH22 ARG 23 HH22 ARG 23 185.792 -7.434 10.641 155 H VAL 24 H VAL 24 183.242 -3.269 3.240 156 HA VAL 24 HA VAL 24 183.575 -0.389 3.666 157 HB VAL 24 HB VAL 24 181.070 -1.743 2.695 158 HG11 VAL 24 HG11 VAL 24 181.064 0.626 1.504 159 HG12 VAL 24 HG12 VAL 24 182.077 1.042 2.886 160 HG13 VAL 24 HG13 VAL 24 180.453 0.404 3.144 161 HG21 VAL 24 HG21 VAL 24 183.573 -1.099 1.210 162 HG22 VAL 24 HG22 VAL 24 182.020 -0.876 0.403 163 HG23 VAL 24 HG23 VAL 24 182.470 -2.463 1.026 164 H SER 25 H SER 25 181.976 0.770 4.932 165 HA SER 25 HA SER 25 180.378 -0.741 6.813 166 HB2 SER 25 HB2 SER 25 182.125 1.210 8.181 167 HB3 SER 25 HB3 SER 25 181.555 -0.369 8.720 168 HG SER 25 HG SER 25 183.133 -1.328 7.415 169 H ILE 26 H ILE 26 178.725 0.464 7.742 170 HA ILE 26 HA ILE 26 178.646 3.342 7.182 171 HB ILE 26 HB ILE 26 176.253 3.072 6.376 172 HG12 ILE 26 HG12 ILE 26 176.820 0.428 5.267 173 HG13 ILE 26 HG13 ILE 26 176.690 0.415 7.023 174 HG21 ILE 26 HG21 ILE 26 176.940 2.681 4.070 175 HG22 ILE 26 HG22 ILE 26 178.469 2.009 4.631 176 HG23 ILE 26 HG23 ILE 26 178.097 3.710 4.912 177 HD11 ILE 26 HD11 ILE 26 174.578 -0.019 5.691 178 HD12 ILE 26 HD12 ILE 26 174.610 1.697 5.289 179 HD13 ILE 26 HD13 ILE 26 174.484 1.187 6.973 180 HA PRO 27 HA PRO 27 177.061 3.283 11.372 181 HB2 PRO 27 HB2 PRO 27 175.974 5.836 11.258 182 HB3 PRO 27 HB3 PRO 27 177.641 5.459 11.699 183 HG2 PRO 27 HG2 PRO 27 176.531 6.369 9.083 184 HG3 PRO 27 HG3 PRO 27 178.058 6.804 9.869 185 HD2 PRO 27 HD2 PRO 27 177.979 5.062 7.831 186 HD3 PRO 27 HD3 PRO 27 179.113 4.858 9.181 187 H ASP 28 H ASP 28 175.431 1.762 11.122 188 HA ASP 28 HA ASP 28 173.057 2.086 9.695 189 HB2 ASP 28 HB2 ASP 28 173.819 -0.093 10.492 190 HB3 ASP 28 HB3 ASP 28 173.582 0.416 12.159 191 H ASP 29 H ASP 29 170.890 2.295 10.520 192 HA ASP 29 HA ASP 29 170.544 3.716 13.029 193 HB2 ASP 29 HB2 ASP 29 170.839 5.209 10.738 194 HB3 ASP 29 HB3 ASP 29 169.089 5.016 10.828 195 H GLY 30 H GLY 30 169.833 1.160 12.440 196 HA2 GLY 30 HA2 GLY 30 168.057 -0.252 12.694 197 HA3 GLY 30 HA3 GLY 30 167.073 1.166 12.977 198 H PHE 31 H PHE 31 168.947 0.374 10.087 199 HA PHE 31 HA PHE 31 166.617 0.835 8.447 200 HB2 PHE 31 HB2 PHE 31 169.311 -0.129 7.495 201 HB3 PHE 31 HB3 PHE 31 168.076 0.710 6.565 202 HD1 PHE 31 HD1 PHE 31 167.375 2.970 8.211 203 HD2 PHE 31 HD2 PHE 31 171.187 1.196 7.562 204 HE1 PHE 31 HE1 PHE 31 168.456 5.120 8.722 205 HE2 PHE 31 HE2 PHE 31 172.277 3.341 8.073 206 HZ PHE 31 HZ PHE 31 170.911 5.307 8.654 207 H SER 32 H SER 32 166.811 -0.791 6.392 208 HA SER 32 HA SER 32 166.634 -3.529 7.418 209 HB2 SER 32 HB2 SER 32 164.520 -1.907 6.128 210 HB3 SER 32 HB3 SER 32 164.688 -3.557 5.528 211 HG SER 32 HG SER 32 163.800 -4.239 7.296 212 H LEU 33 H LEU 33 167.367 -1.317 4.794 213 HA LEU 33 HA LEU 33 168.742 -3.564 3.477 214 HB2 LEU 33 HB2 LEU 33 166.457 -3.008 2.387 215 HB3 LEU 33 HB3 LEU 33 167.266 -1.573 1.816 216 HG LEU 33 HG LEU 33 169.054 -3.226 0.906 217 HD11 LEU 33 HD11 LEU 33 168.420 -5.401 0.473 218 HD12 LEU 33 HD12 LEU 33 166.703 -5.056 0.684 219 HD13 LEU 33 HD13 LEU 33 167.766 -5.140 2.090 220 HD21 LEU 33 HD21 LEU 33 166.731 -3.528 -0.803 221 HD22 LEU 33 HD22 LEU 33 168.230 -2.637 -1.072 222 HD23 LEU 33 HD23 LEU 33 166.903 -1.883 -0.188 223 H PHE 34 H PHE 34 170.710 -3.098 2.789 224 HA PHE 34 HA PHE 34 171.485 -0.275 2.544 225 HB2 PHE 34 HB2 PHE 34 172.457 -1.170 4.568 226 HB3 PHE 34 HB3 PHE 34 173.070 -2.565 3.701 227 HD1 PHE 34 HD1 PHE 34 173.199 1.118 3.127 228 HD2 PHE 34 HD2 PHE 34 175.353 -2.529 3.526 229 HE1 PHE 34 HE1 PHE 34 175.300 2.313 2.669 230 HE2 PHE 34 HE2 PHE 34 177.459 -1.340 3.071 231 HZ PHE 34 HZ PHE 34 177.433 1.084 2.640 232 H ALA 35 H ALA 35 171.440 -0.104 0.335 233 HA ALA 35 HA ALA 35 172.718 -2.157 -1.293 234 HB1 ALA 35 HB1 ALA 35 171.412 -1.463 -2.981 235 HB2 ALA 35 HB2 ALA 35 171.709 0.242 -2.644 236 HB3 ALA 35 HB3 ALA 35 170.497 -0.641 -1.716 237 H PHE 36 H PHE 36 174.753 -2.008 -1.974 238 HA PHE 36 HA PHE 36 176.056 0.634 -1.884 239 HB2 PHE 36 HB2 PHE 36 177.010 -0.790 -0.201 240 HB3 PHE 36 HB3 PHE 36 177.187 -2.116 -1.345 241 HD1 PHE 36 HD1 PHE 36 178.188 1.483 -1.207 242 HD2 PHE 36 HD2 PHE 36 179.341 -2.540 -1.964 243 HE1 PHE 36 HE1 PHE 36 180.470 2.241 -1.730 244 HE2 PHE 36 HE2 PHE 36 181.627 -1.792 -2.488 245 HZ PHE 36 HZ PHE 36 182.193 0.601 -2.372 246 H HIS 37 H HIS 37 176.678 1.424 -3.767 247 HA HIS 37 HA HIS 37 177.337 -0.412 -5.966 248 HB2 HIS 37 HB2 HIS 37 175.215 1.441 -5.843 249 HB3 HIS 37 HB3 HIS 37 176.429 2.150 -6.886 250 HD1 HIS 37 HD1 HIS 37 173.554 0.150 -7.115 251 HD2 HIS 37 HD2 HIS 37 177.313 -0.042 -8.872 252 HE1 HIS 37 HE1 HIS 37 173.268 -1.297 -9.148 253 HE2 HIS 37 HE2 HIS 37 175.590 -1.532 -10.097 254 H GLY 38 H GLY 38 179.404 -0.068 -6.763 255 HA2 GLY 38 HA2 GLY 38 180.477 2.628 -6.732 256 HA3 GLY 38 HA3 GLY 38 181.239 1.550 -5.576 257 H LYS 39 H LYS 39 182.288 2.948 -7.942 258 HA LYS 39 HA LYS 39 183.352 0.592 -9.341 259 HB2 LYS 39 HB2 LYS 39 181.828 2.576 -10.510 260 HB3 LYS 39 HB3 LYS 39 183.474 3.079 -10.872 261 HG2 LYS 39 HG2 LYS 39 183.712 0.537 -11.562 262 HG3 LYS 39 HG3 LYS 39 181.970 0.698 -11.795 263 HD2 LYS 39 HD2 LYS 39 182.609 2.848 -13.107 264 HD3 LYS 39 HD3 LYS 39 184.209 2.111 -13.190 265 HE2 LYS 39 HE2 LYS 39 182.422 0.075 -13.875 266 HE3 LYS 39 HE3 LYS 39 181.825 1.513 -14.702 267 HZ1 LYS 39 HZ1 LYS 39 184.262 0.001 -15.141 268 HZ2 LYS 39 HZ2 LYS 39 184.431 1.684 -15.219 269 HZ3 LYS 39 HZ3 LYS 39 183.330 0.897 -16.233 270 H LEU 40 H LEU 40 185.508 0.411 -9.386 271 HA LEU 40 HA LEU 40 187.107 2.304 -7.907 272 HB2 LEU 40 HB2 LEU 40 187.598 0.000 -7.582 273 HB3 LEU 40 HB3 LEU 40 187.690 -0.303 -9.305 274 HG LEU 40 HG LEU 40 189.723 1.325 -9.231 275 HD11 LEU 40 HD11 LEU 40 189.573 2.169 -7.033 276 HD12 LEU 40 HD12 LEU 40 190.938 1.053 -7.033 277 HD13 LEU 40 HD13 LEU 40 189.394 0.554 -6.346 278 HD21 LEU 40 HD21 LEU 40 189.775 -1.101 -9.730 279 HD22 LEU 40 HD22 LEU 40 189.948 -1.416 -8.003 280 HD23 LEU 40 HD23 LEU 40 191.205 -0.533 -8.869 281 H ASN 41 H ASN 41 187.586 4.165 -8.926 282 HA ASN 41 HA ASN 41 188.692 5.569 -10.346 283 HB2 ASN 41 HB2 ASN 41 190.010 3.195 -10.787 284 HB3 ASN 41 HB3 ASN 41 189.452 3.618 -12.401 285 HD21 ASN 41 HD21 ASN 41 192.125 3.517 -11.759 286 HD22 ASN 41 HD22 ASN 41 192.786 5.112 -11.813 287 H GLU 42 H GLU 42 186.254 5.931 -10.623 288 HA GLU 42 HA GLU 42 185.694 6.740 -13.173 289 HB2 GLU 42 HB2 GLU 42 185.630 4.340 -13.790 290 HB3 GLU 42 HB3 GLU 42 184.337 4.093 -12.625 291 HG2 GLU 42 HG2 GLU 42 182.898 5.594 -13.863 292 HG3 GLU 42 HG3 GLU 42 184.200 5.931 -15.002 293 H GLU 43 H GLU 43 184.555 8.411 -12.534 294 HA GLU 43 HA GLU 43 183.054 8.669 -10.232 295 HB2 GLU 43 HB2 GLU 43 182.537 10.128 -12.824 296 HB3 GLU 43 HB3 GLU 43 182.087 10.662 -11.209 297 HG2 GLU 43 HG2 GLU 43 184.413 10.876 -10.602 298 HG3 GLU 43 HG3 GLU 43 184.891 10.260 -12.175 299 H MET 44 H MET 44 180.633 9.521 -10.572 300 HA MET 44 HA MET 44 178.927 8.024 -12.251 301 HB2 MET 44 HB2 MET 44 177.878 6.809 -10.135 302 HB3 MET 44 HB3 MET 44 179.154 6.065 -11.088 303 HG2 MET 44 HG2 MET 44 180.658 7.383 -9.312 304 HG3 MET 44 HG3 MET 44 179.214 7.137 -8.341 305 HE1 MET 44 HE1 MET 44 178.889 3.286 -9.520 306 HE2 MET 44 HE2 MET 44 178.007 4.813 -9.425 307 HE3 MET 44 HE3 MET 44 178.418 3.936 -7.949 308 H ASP 45 H ASP 45 177.197 9.272 -12.483 309 HA ASP 45 HA ASP 45 176.377 10.968 -10.214 310 HB2 ASP 45 HB2 ASP 45 177.377 12.165 -12.208 311 HB3 ASP 45 HB3 ASP 45 175.982 11.625 -13.136 312 H GLY 46 H GLY 46 175.104 8.941 -9.741 313 HA2 GLY 46 HA2 GLY 46 172.484 9.177 -9.841 314 HA3 GLY 46 HA3 GLY 46 172.827 8.507 -11.427 315 H LEU 47 H LEU 47 172.264 6.430 -11.399 316 HA LEU 47 HA LEU 47 173.223 4.789 -9.179 317 HB2 LEU 47 HB2 LEU 47 170.678 4.483 -10.758 318 HB3 LEU 47 HB3 LEU 47 171.203 3.490 -9.420 319 HG LEU 47 HG LEU 47 170.710 6.440 -9.160 320 HD11 LEU 47 HD11 LEU 47 168.513 6.126 -8.750 321 HD12 LEU 47 HD12 LEU 47 168.770 4.557 -7.989 322 HD13 LEU 47 HD13 LEU 47 168.733 4.687 -9.746 323 HD21 LEU 47 HD21 LEU 47 170.669 4.394 -6.973 324 HD22 LEU 47 HD22 LEU 47 170.926 6.138 -6.871 325 HD23 LEU 47 HD23 LEU 47 172.187 5.097 -7.537 326 H GLU 48 H GLU 48 174.971 4.998 -11.061 327 HA GLU 48 HA GLU 48 174.635 3.318 -13.327 328 HB2 GLU 48 HB2 GLU 48 176.907 4.736 -12.031 329 HB3 GLU 48 HB3 GLU 48 177.298 3.415 -13.123 330 HG2 GLU 48 HG2 GLU 48 175.716 5.890 -13.773 331 HG3 GLU 48 HG3 GLU 48 177.341 5.488 -14.326 332 H ALA 49 H ALA 49 175.416 1.248 -13.722 333 HA ALA 49 HA ALA 49 175.104 -0.649 -11.758 334 HB1 ALA 49 HB1 ALA 49 174.962 -1.580 -13.828 335 HB2 ALA 49 HB2 ALA 49 176.613 -2.049 -13.419 336 HB3 ALA 49 HB3 ALA 49 176.324 -0.654 -14.460 337 H GLY 50 H GLY 50 177.893 1.280 -12.463 338 HA2 GLY 50 HA2 GLY 50 180.066 1.232 -11.689 339 HA3 GLY 50 HA3 GLY 50 179.258 0.955 -10.155 340 H HIS 51 H HIS 51 180.632 -0.450 -9.207 341 HA HIS 51 HA HIS 51 181.047 -3.007 -10.588 342 HB2 HIS 51 HB2 HIS 51 182.974 -1.329 -9.048 343 HB3 HIS 51 HB3 HIS 51 183.123 -3.078 -8.936 344 HD1 HIS 51 HD1 HIS 51 185.500 -2.415 -10.133 345 HD2 HIS 51 HD2 HIS 51 182.058 -2.151 -12.445 346 HE1 HIS 51 HE1 HIS 51 186.292 -2.404 -12.521 347 HE2 HIS 51 HE2 HIS 51 184.197 -2.141 -13.897 348 H TRP 52 H TRP 52 181.619 -1.866 -7.273 349 HA TRP 52 HA TRP 52 180.584 -4.251 -6.132 350 HB2 TRP 52 HB2 TRP 52 181.134 -1.548 -4.885 351 HB3 TRP 52 HB3 TRP 52 180.750 -3.011 -3.981 352 HD1 TRP 52 HD1 TRP 52 182.578 -5.122 -4.463 353 HE1 TRP 52 HE1 TRP 52 185.136 -4.959 -4.619 354 HE3 TRP 52 HE3 TRP 52 183.012 -0.127 -5.443 355 HZ2 TRP 52 HZ2 TRP 52 187.092 -2.972 -5.094 356 HZ3 TRP 52 HZ3 TRP 52 185.259 0.828 -5.736 357 HH2 TRP 52 HH2 TRP 52 187.257 -0.565 -5.564 358 H ALA 53 H ALA 53 178.529 -4.520 -7.004 359 HA ALA 53 HA ALA 53 176.480 -2.630 -6.047 360 HB1 ALA 53 HB1 ALA 53 176.682 -2.664 -8.494 361 HB2 ALA 53 HB2 ALA 53 175.113 -3.259 -7.952 362 HB3 ALA 53 HB3 ALA 53 176.351 -4.396 -8.488 363 H ARG 54 H ARG 54 176.249 -3.769 -4.058 364 HA ARG 54 HA ARG 54 174.746 -6.271 -4.348 365 HB2 ARG 54 HB2 ARG 54 177.026 -6.822 -3.717 366 HB3 ARG 54 HB3 ARG 54 176.942 -5.721 -2.357 367 HG2 ARG 54 HG2 ARG 54 176.063 -7.293 -1.063 368 HG3 ARG 54 HG3 ARG 54 174.777 -7.600 -2.230 369 HD2 ARG 54 HD2 ARG 54 177.558 -8.742 -2.426 370 HD3 ARG 54 HD3 ARG 54 176.185 -9.591 -1.716 371 HE ARG 54 HE ARG 54 175.275 -8.932 -4.167 372 HH11 ARG 54 HH11 ARG 54 178.191 -10.511 -3.073 373 HH12 ARG 54 HH12 ARG 54 178.362 -11.464 -4.508 374 HH21 ARG 54 HH21 ARG 54 175.499 -10.187 -6.055 375 HH22 ARG 54 HH22 ARG 54 176.835 -11.280 -6.201 376 H ASP 55 H ASP 55 173.092 -6.601 -2.908 377 HA ASP 55 HA ASP 55 172.379 -4.296 -1.219 378 HB2 ASP 55 HB2 ASP 55 170.912 -5.600 -3.185 379 HB3 ASP 55 HB3 ASP 55 170.255 -6.235 -1.683 380 H ILE 56 H ILE 56 172.639 -4.575 0.899 381 HA ILE 56 HA ILE 56 172.797 -7.289 1.977 382 HB ILE 56 HB ILE 56 173.311 -4.748 3.510 383 HG12 ILE 56 HG12 ILE 56 175.271 -6.346 1.845 384 HG13 ILE 56 HG13 ILE 56 174.725 -4.707 1.509 385 HG21 ILE 56 HG21 ILE 56 174.645 -6.172 4.933 386 HG22 ILE 56 HG22 ILE 56 174.369 -7.549 3.866 387 HG23 ILE 56 HG23 ILE 56 173.027 -6.850 4.769 388 HD11 ILE 56 HD11 ILE 56 176.812 -5.648 3.284 389 HD12 ILE 56 HD12 ILE 56 175.699 -4.530 4.073 390 HD13 ILE 56 HD13 ILE 56 176.540 -4.045 2.600 391 H THR 57 H THR 57 171.608 -7.934 3.832 392 HA THR 57 HA THR 57 169.312 -6.268 4.559 393 HB THR 57 HB THR 57 167.752 -8.112 4.298 394 HG1 THR 57 HG1 THR 57 168.783 -9.964 4.530 395 HG21 THR 57 HG21 THR 57 168.834 -8.502 1.672 396 HG22 THR 57 HG22 THR 57 168.945 -6.808 2.143 397 HG23 THR 57 HG23 THR 57 167.386 -7.631 2.175 398 H LYS 58 H LYS 58 171.587 -6.667 6.091 399 HA LYS 58 HA LYS 58 170.531 -7.470 8.542 400 HB2 LYS 58 HB2 LYS 58 171.322 -9.672 6.967 401 HB3 LYS 58 HB3 LYS 58 172.555 -9.490 8.208 402 HG2 LYS 58 HG2 LYS 58 171.185 -10.159 9.849 403 HG3 LYS 58 HG3 LYS 58 169.798 -9.293 9.186 404 HD2 LYS 58 HD2 LYS 58 170.166 -11.259 7.330 405 HD3 LYS 58 HD3 LYS 58 170.636 -12.080 8.820 406 HE2 LYS 58 HE2 LYS 58 168.441 -12.465 9.063 407 HE3 LYS 58 HE3 LYS 58 168.364 -10.785 9.593 408 HZ1 LYS 58 HZ1 LYS 58 166.867 -11.737 7.642 409 HZ2 LYS 58 HZ2 LYS 58 168.207 -11.264 6.724 410 HZ3 LYS 58 HZ3 LYS 58 167.394 -10.129 7.678 411 HA PRO 59 HA PRO 59 174.135 -4.673 8.932 412 HB2 PRO 59 HB2 PRO 59 173.021 -4.701 11.697 413 HB3 PRO 59 HB3 PRO 59 173.545 -3.329 10.713 414 HG2 PRO 59 HG2 PRO 59 170.954 -3.842 11.064 415 HG3 PRO 59 HG3 PRO 59 171.567 -3.286 9.496 416 HD2 PRO 59 HD2 PRO 59 170.712 -6.017 10.337 417 HD3 PRO 59 HD3 PRO 59 170.546 -5.216 8.762 418 H LYS 60 H LYS 60 175.718 -4.552 10.941 419 HA LYS 60 HA LYS 60 176.500 -7.332 11.549 420 HB2 LYS 60 HB2 LYS 60 177.990 -5.599 10.176 421 HB3 LYS 60 HB3 LYS 60 178.450 -5.090 11.795 422 HG2 LYS 60 HG2 LYS 60 178.562 -7.977 11.027 423 HG3 LYS 60 HG3 LYS 60 179.864 -6.872 10.579 424 HD2 LYS 60 HD2 LYS 60 180.613 -6.690 12.701 425 HD3 LYS 60 HD3 LYS 60 178.986 -6.722 13.386 426 HE2 LYS 60 HE2 LYS 60 179.795 -8.730 14.139 427 HE3 LYS 60 HE3 LYS 60 179.060 -9.231 12.617 428 HZ1 LYS 60 HZ1 LYS 60 181.922 -8.503 12.845 429 HZ2 LYS 60 HZ2 LYS 60 181.152 -9.310 11.573 430 HZ3 LYS 60 HZ3 LYS 60 181.362 -10.086 13.061 431 H GLU 61 H GLU 61 176.505 -4.040 12.828 432 HA GLU 61 HA GLU 61 175.469 -4.674 15.322 433 HB2 GLU 61 HB2 GLU 61 177.788 -5.768 15.494 434 HB3 GLU 61 HB3 GLU 61 178.424 -4.131 15.527 435 HG2 GLU 61 HG2 GLU 61 178.151 -4.162 17.722 436 HG3 GLU 61 HG3 GLU 61 176.412 -4.132 17.438 437 H GLY 62 H GLY 62 174.329 -2.860 14.517 438 HA2 GLY 62 HA2 GLY 62 173.814 -0.616 14.646 439 HA3 GLY 62 HA3 GLY 62 175.312 -0.376 15.542 440 H ARG 63 H ARG 63 176.082 -2.075 12.834 441 HA ARG 63 HA ARG 63 176.215 0.107 10.943 442 HB2 ARG 63 HB2 ARG 63 178.553 -0.727 12.572 443 HB3 ARG 63 HB3 ARG 63 178.840 -0.470 10.857 444 HG2 ARG 63 HG2 ARG 63 178.481 1.773 10.990 445 HG3 ARG 63 HG3 ARG 63 177.367 1.627 12.350 446 HD2 ARG 63 HD2 ARG 63 179.441 0.875 13.682 447 HD3 ARG 63 HD3 ARG 63 180.363 1.578 12.354 448 HE ARG 63 HE ARG 63 178.462 3.443 13.251 449 HH11 ARG 63 HH11 ARG 63 181.427 1.923 14.286 450 HH12 ARG 63 HH12 ARG 63 181.912 3.258 15.277 451 HH21 ARG 63 HH21 ARG 63 179.097 5.200 14.553 452 HH22 ARG 63 HH22 ARG 63 180.588 5.117 15.430 453 H TRP 64 H TRP 64 176.217 -0.703 8.871 454 HA TRP 64 HA TRP 64 176.217 -3.564 8.570 455 HB2 TRP 64 HB2 TRP 64 176.073 -1.474 6.408 456 HB3 TRP 64 HB3 TRP 64 175.655 -3.161 6.267 457 HD1 TRP 64 HD1 TRP 64 174.434 -0.311 8.622 458 HE1 TRP 64 HE1 TRP 64 171.869 -0.438 8.717 459 HE3 TRP 64 HE3 TRP 64 173.678 -4.289 5.494 460 HZ2 TRP 64 HZ2 TRP 64 169.799 -1.993 7.618 461 HZ3 TRP 64 HZ3 TRP 64 171.370 -5.028 5.072 462 HH2 TRP 64 HH2 TRP 64 169.466 -3.903 6.115 463 H THR 65 H THR 65 177.576 -4.696 7.139 464 HA THR 65 HA THR 65 180.137 -3.412 6.516 465 HB THR 65 HB THR 65 179.922 -6.153 7.763 466 HG1 THR 65 HG1 THR 65 179.360 -4.414 9.209 467 HG21 THR 65 HG21 THR 65 182.009 -5.059 6.355 468 HG22 THR 65 HG22 THR 65 182.115 -6.376 7.522 469 HG23 THR 65 HG23 THR 65 182.425 -4.717 8.033 470 H PHE 66 H PHE 66 180.592 -3.661 4.438 471 HA PHE 66 HA PHE 66 179.516 -6.021 3.041 472 HB2 PHE 66 HB2 PHE 66 178.659 -3.874 2.185 473 HB3 PHE 66 HB3 PHE 66 180.309 -3.343 1.877 474 HD1 PHE 66 HD1 PHE 66 178.275 -6.387 1.147 475 HD2 PHE 66 HD2 PHE 66 180.913 -3.392 -0.328 476 HE1 PHE 66 HE1 PHE 66 178.187 -7.416 -1.086 477 HE2 PHE 66 HE2 PHE 66 180.829 -4.415 -2.566 478 HZ PHE 66 HZ PHE 66 179.464 -6.429 -2.947 479 H ARG 67 H ARG 67 181.320 -7.287 3.737 480 HA ARG 67 HA ARG 67 183.944 -6.523 2.742 481 HB2 ARG 67 HB2 ARG 67 182.939 -8.220 4.855 482 HB3 ARG 67 HB3 ARG 67 184.106 -9.085 3.865 483 HG2 ARG 67 HG2 ARG 67 185.448 -6.802 4.193 484 HG3 ARG 67 HG3 ARG 67 184.487 -6.781 5.672 485 HD2 ARG 67 HD2 ARG 67 185.597 -8.524 6.571 486 HD3 ARG 67 HD3 ARG 67 185.744 -9.360 5.026 487 HE ARG 67 HE ARG 67 187.460 -7.291 4.763 488 HH11 ARG 67 HH11 ARG 67 187.048 -9.739 7.217 489 HH12 ARG 67 HH12 ARG 67 188.722 -9.755 7.658 490 HH21 ARG 67 HH21 ARG 67 189.663 -7.312 5.342 491 HH22 ARG 67 HH22 ARG 67 190.207 -8.380 6.592 492 H ASP 68 H ASP 68 184.792 -7.251 0.912 493 HA ASP 68 HA ASP 68 183.813 -9.761 -0.244 494 HB2 ASP 68 HB2 ASP 68 183.897 -8.600 -2.523 495 HB3 ASP 68 HB3 ASP 68 182.529 -8.216 -1.483 496 H ARG 69 H ARG 69 185.548 -11.009 -0.330 497 HA ARG 69 HA ARG 69 188.187 -9.858 -0.718 498 HB2 ARG 69 HB2 ARG 69 187.141 -12.161 0.591 499 HB3 ARG 69 HB3 ARG 69 188.277 -12.707 -0.635 500 HG2 ARG 69 HG2 ARG 69 190.012 -12.091 0.599 501 HG3 ARG 69 HG3 ARG 69 189.355 -10.469 0.820 502 HD2 ARG 69 HD2 ARG 69 188.519 -10.950 2.855 503 HD3 ARG 69 HD3 ARG 69 188.018 -12.572 2.377 504 HE ARG 69 HE ARG 69 190.490 -11.818 3.636 505 HH11 ARG 69 HH11 ARG 69 188.901 -14.210 1.653 506 HH12 ARG 69 HH12 ARG 69 189.999 -15.477 2.083 507 HH21 ARG 69 HH21 ARG 69 191.935 -13.485 4.204 508 HH22 ARG 69 HH22 ARG 69 191.720 -15.067 3.532 509 H ASN 70 H ASN 70 186.107 -10.056 -2.909 510 HA ASN 70 HA ASN 70 187.779 -11.515 -4.846 511 HB2 ASN 70 HB2 ASN 70 185.252 -12.240 -4.220 512 HB3 ASN 70 HB3 ASN 70 184.924 -11.091 -5.513 513 HD21 ASN 70 HD21 ASN 70 186.821 -13.952 -4.706 514 HD22 ASN 70 HD22 ASN 70 186.859 -14.600 -6.307 515 H ALA 71 H ALA 71 187.954 -8.731 -4.022 516 HA ALA 71 HA ALA 71 187.094 -7.361 -6.481 517 HB1 ALA 71 HB1 ALA 71 187.999 -6.015 -3.950 518 HB2 ALA 71 HB2 ALA 71 186.326 -6.503 -4.219 519 HB3 ALA 71 HB3 ALA 71 187.084 -5.327 -5.292 520 H LYS 72 H LYS 72 188.583 -6.750 -7.910 521 HA LYS 72 HA LYS 72 191.388 -7.163 -7.292 522 HB2 LYS 72 HB2 LYS 72 190.188 -7.853 -9.468 523 HB3 LYS 72 HB3 LYS 72 190.302 -6.156 -9.911 524 HG2 LYS 72 HG2 LYS 72 192.853 -6.607 -9.221 525 HG3 LYS 72 HG3 LYS 72 192.396 -8.223 -9.764 526 HD2 LYS 72 HD2 LYS 72 193.021 -7.373 -11.774 527 HD3 LYS 72 HD3 LYS 72 191.354 -6.797 -11.769 528 HE2 LYS 72 HE2 LYS 72 192.011 -4.626 -11.086 529 HE3 LYS 72 HE3 LYS 72 193.643 -5.167 -10.694 530 HZ1 LYS 72 HZ1 LYS 72 192.658 -5.429 -13.453 531 HZ2 LYS 72 HZ2 LYS 72 194.244 -5.239 -12.895 532 HZ3 LYS 72 HZ3 LYS 72 193.187 -3.919 -12.903 533 H LEU 73 H LEU 73 191.418 -5.374 -5.728 534 HA LEU 73 HA LEU 73 191.195 -2.682 -6.752 535 HB2 LEU 73 HB2 LEU 73 192.147 -3.731 -4.085 536 HB3 LEU 73 HB3 LEU 73 191.946 -2.033 -4.473 537 HG LEU 73 HG LEU 73 189.670 -4.001 -4.601 538 HD11 LEU 73 HD11 LEU 73 189.179 -3.726 -2.403 539 HD12 LEU 73 HD12 LEU 73 189.918 -2.127 -2.323 540 HD13 LEU 73 HD13 LEU 73 190.933 -3.569 -2.301 541 HD21 LEU 73 HD21 LEU 73 189.996 -1.070 -4.898 542 HD22 LEU 73 HD22 LEU 73 188.546 -1.650 -4.080 543 HD23 LEU 73 HD23 LEU 73 188.901 -2.180 -5.724 544 H LYS 74 H LYS 74 192.938 -1.148 -6.757 545 HA LYS 74 HA LYS 74 195.612 -2.357 -6.913 546 HB2 LYS 74 HB2 LYS 74 194.507 -1.929 -9.182 547 HB3 LYS 74 HB3 LYS 74 194.690 -0.218 -8.822 548 HG2 LYS 74 HG2 LYS 74 196.878 -0.230 -9.279 549 HG3 LYS 74 HG3 LYS 74 197.139 -1.773 -8.463 550 HD2 LYS 74 HD2 LYS 74 197.492 -2.535 -10.555 551 HD3 LYS 74 HD3 LYS 74 195.730 -2.584 -10.625 552 HE2 LYS 74 HE2 LYS 74 195.620 -0.882 -12.088 553 HE3 LYS 74 HE3 LYS 74 196.896 0.024 -11.277 554 HZ1 LYS 74 HZ1 LYS 74 198.489 -1.587 -12.309 555 HZ2 LYS 74 HZ2 LYS 74 197.707 -0.556 -13.398 556 HZ3 LYS 74 HZ3 LYS 74 197.205 -2.165 -13.249 557 H LEU 75 H LEU 75 197.315 -1.096 -6.260 558 HA LEU 75 HA LEU 75 196.755 0.891 -4.331 559 HB2 LEU 75 HB2 LEU 75 198.770 -0.735 -4.558 560 HB3 LEU 75 HB3 LEU 75 199.453 0.510 -5.586 561 HG LEU 75 HG LEU 75 200.341 0.743 -3.363 562 HD11 LEU 75 HD11 LEU 75 199.483 2.769 -4.793 563 HD12 LEU 75 HD12 LEU 75 200.101 3.005 -3.159 564 HD13 LEU 75 HD13 LEU 75 198.362 2.960 -3.447 565 HD21 LEU 75 HD21 LEU 75 198.397 -0.388 -2.247 566 HD22 LEU 75 HD22 LEU 75 197.534 1.146 -2.356 567 HD23 LEU 75 HD23 LEU 75 199.020 1.034 -1.413 568 H GLY 76 H GLY 76 196.646 3.038 -4.450 569 HA2 GLY 76 HA2 GLY 76 197.201 5.177 -5.278 570 HA3 GLY 76 HA3 GLY 76 197.782 4.427 -6.756 571 H ASP 77 H ASP 77 195.254 2.799 -6.879 572 HA ASP 77 HA ASP 77 193.845 4.403 -8.650 573 HB2 ASP 77 HB2 ASP 77 193.827 1.864 -8.442 574 HB3 ASP 77 HB3 ASP 77 192.650 2.080 -7.152 575 H LYS 78 H LYS 78 191.598 5.126 -8.495 576 HA LYS 78 HA LYS 78 191.016 6.222 -5.820 577 HB2 LYS 78 HB2 LYS 78 191.446 7.770 -7.842 578 HB3 LYS 78 HB3 LYS 78 189.862 7.257 -8.406 579 HG2 LYS 78 HG2 LYS 78 188.767 8.479 -6.866 580 HG3 LYS 78 HG3 LYS 78 189.980 8.189 -5.616 581 HD2 LYS 78 HD2 LYS 78 191.474 9.738 -7.066 582 HD3 LYS 78 HD3 LYS 78 189.946 10.256 -7.782 583 HE2 LYS 78 HE2 LYS 78 190.403 11.773 -6.026 584 HE3 LYS 78 HE3 LYS 78 189.136 10.697 -5.434 585 HZ1 LYS 78 HZ1 LYS 78 190.495 9.800 -3.896 586 HZ2 LYS 78 HZ2 LYS 78 191.328 11.264 -4.054 587 HZ3 LYS 78 HZ3 LYS 78 191.873 9.889 -4.875 588 H ILE 79 H ILE 79 188.675 6.550 -5.369 589 HA ILE 79 HA ILE 79 187.063 4.358 -6.490 590 HB ILE 79 HB ILE 79 187.046 5.195 -3.609 591 HG12 ILE 79 HG12 ILE 79 189.157 4.046 -4.587 592 HG13 ILE 79 HG13 ILE 79 188.448 3.388 -3.128 593 HG21 ILE 79 HG21 ILE 79 185.368 3.453 -5.237 594 HG22 ILE 79 HG22 ILE 79 185.060 4.173 -3.659 595 HG23 ILE 79 HG23 ILE 79 185.987 2.680 -3.780 596 HD11 ILE 79 HD11 ILE 79 187.958 2.321 -5.889 597 HD12 ILE 79 HD12 ILE 79 187.400 1.619 -4.371 598 HD13 ILE 79 HD13 ILE 79 189.123 1.666 -4.739 599 H TYR 80 H TYR 80 184.867 4.630 -6.691 600 HA TYR 80 HA TYR 80 183.653 7.175 -5.943 601 HB2 TYR 80 HB2 TYR 80 183.722 6.126 -8.784 602 HB3 TYR 80 HB3 TYR 80 182.700 7.451 -8.236 603 HD1 TYR 80 HD1 TYR 80 186.220 6.400 -8.703 604 HD2 TYR 80 HD2 TYR 80 183.556 9.651 -8.047 605 HE1 TYR 80 HE1 TYR 80 188.053 7.981 -9.137 606 HE2 TYR 80 HE2 TYR 80 185.380 11.241 -8.481 607 HH TYR 80 HH TYR 80 188.169 10.478 -9.976 608 H PHE 81 H PHE 81 181.559 6.839 -5.208 609 HA PHE 81 HA PHE 81 180.006 4.643 -6.254 610 HB2 PHE 81 HB2 PHE 81 179.738 3.622 -3.926 611 HB3 PHE 81 HB3 PHE 81 181.224 3.285 -4.786 612 HD1 PHE 81 HD1 PHE 81 183.255 4.776 -4.220 613 HD2 PHE 81 HD2 PHE 81 179.776 4.486 -1.791 614 HE1 PHE 81 HE1 PHE 81 184.529 5.637 -2.300 615 HE2 PHE 81 HE2 PHE 81 181.042 5.347 0.134 616 HZ PHE 81 HZ PHE 81 183.423 5.923 -0.119 617 H TRP 82 H TRP 82 178.155 4.192 -4.604 618 HA TRP 82 HA TRP 82 177.109 6.509 -3.254 619 HB2 TRP 82 HB2 TRP 82 175.026 6.638 -4.525 620 HB3 TRP 82 HB3 TRP 82 176.398 6.957 -5.577 621 HD1 TRP 82 HD1 TRP 82 176.923 5.168 -7.489 622 HE1 TRP 82 HE1 TRP 82 175.479 3.325 -8.556 623 HE3 TRP 82 HE3 TRP 82 173.208 4.913 -3.985 624 HZ2 TRP 82 HZ2 TRP 82 173.087 1.944 -7.989 625 HZ3 TRP 82 HZ3 TRP 82 171.377 3.304 -4.326 626 HH2 TRP 82 HH2 TRP 82 171.319 1.851 -6.287 627 H THR 83 H THR 83 175.866 5.852 -1.553 628 HA THR 83 HA THR 83 175.266 2.961 -1.458 629 HB THR 83 HB THR 83 175.189 3.501 1.105 630 HG1 THR 83 HG1 THR 83 176.944 5.529 0.197 631 HG21 THR 83 HG21 THR 83 177.730 3.303 -0.480 632 HG22 THR 83 HG22 THR 83 176.843 2.007 0.323 633 HG23 THR 83 HG23 THR 83 177.672 3.233 1.282 634 H TYR 84 H TYR 84 173.317 2.271 -0.437 635 HA TYR 84 HA TYR 84 171.269 4.345 -0.112 636 HB2 TYR 84 HB2 TYR 84 171.131 3.375 -2.397 637 HB3 TYR 84 HB3 TYR 84 170.906 1.786 -1.677 638 HD1 TYR 84 HD1 TYR 84 169.415 5.095 -0.805 639 HD2 TYR 84 HD2 TYR 84 168.735 1.127 -2.179 640 HE1 TYR 84 HE1 TYR 84 166.990 5.493 -0.736 641 HE2 TYR 84 HE2 TYR 84 166.309 1.514 -2.114 642 HH TYR 84 HH TYR 84 164.749 3.451 -2.207 643 H VAL 85 H VAL 85 169.766 3.925 1.473 644 HA VAL 85 HA VAL 85 169.962 1.325 2.836 645 HB VAL 85 HB VAL 85 170.776 2.282 4.677 646 HG11 VAL 85 HG11 VAL 85 171.880 3.995 3.528 647 HG12 VAL 85 HG12 VAL 85 171.026 4.818 4.833 648 HG13 VAL 85 HG13 VAL 85 170.380 4.860 3.193 649 HG21 VAL 85 HG21 VAL 85 168.241 3.917 4.680 650 HG22 VAL 85 HG22 VAL 85 169.372 3.820 6.027 651 HG23 VAL 85 HG23 VAL 85 168.519 2.374 5.490 652 H ILE 86 H ILE 86 168.032 0.873 4.224 653 HA ILE 86 HA ILE 86 165.599 2.263 3.342 654 HB ILE 86 HB ILE 86 165.787 -0.745 3.444 655 HG12 ILE 86 HG12 ILE 86 167.087 0.219 1.575 656 HG13 ILE 86 HG13 ILE 86 165.704 -0.729 1.038 657 HG21 ILE 86 HG21 ILE 86 163.584 -0.201 2.006 658 HG22 ILE 86 HG22 ILE 86 163.600 1.201 3.075 659 HG23 ILE 86 HG23 ILE 86 163.573 -0.426 3.755 660 HD11 ILE 86 HD11 ILE 86 166.342 2.029 0.551 661 HD12 ILE 86 HD12 ILE 86 164.728 1.843 1.232 662 HD13 ILE 86 HD13 ILE 86 165.168 0.980 -0.241 663 H LYS 87 H LYS 87 164.889 3.075 5.191 664 HA LYS 87 HA LYS 87 164.933 1.406 7.605 665 HB2 LYS 87 HB2 LYS 87 165.865 3.894 7.376 666 HB3 LYS 87 HB3 LYS 87 164.187 4.289 7.712 667 HG2 LYS 87 HG2 LYS 87 165.500 2.313 9.485 668 HG3 LYS 87 HG3 LYS 87 165.995 4.001 9.628 669 HD2 LYS 87 HD2 LYS 87 163.085 3.457 9.528 670 HD3 LYS 87 HD3 LYS 87 163.940 2.968 10.992 671 HE2 LYS 87 HE2 LYS 87 163.855 5.724 9.774 672 HE3 LYS 87 HE3 LYS 87 163.084 5.204 11.272 673 HZ1 LYS 87 HZ1 LYS 87 164.989 6.206 12.030 674 HZ2 LYS 87 HZ2 LYS 87 165.932 5.691 10.724 675 HZ3 LYS 87 HZ3 LYS 87 165.498 4.595 11.936 676 H ASP 88 H ASP 88 163.094 0.264 6.462 677 HA ASP 88 HA ASP 88 160.891 -0.296 6.416 678 HB2 ASP 88 HB2 ASP 88 161.183 0.615 8.859 679 HB3 ASP 88 HB3 ASP 88 160.216 1.963 8.267 680 H GLY 89 H GLY 89 161.280 0.766 4.196 681 HA2 GLY 89 HA2 GLY 89 160.255 1.860 2.449 682 HA3 GLY 89 HA3 GLY 89 158.954 2.273 3.555 683 H LEU 90 H LEU 90 162.269 3.138 4.197 684 HA LEU 90 HA LEU 90 161.843 5.877 3.263 685 HB2 LEU 90 HB2 LEU 90 162.870 5.442 6.045 686 HB3 LEU 90 HB3 LEU 90 162.222 6.906 5.328 687 HG LEU 90 HG LEU 90 160.547 4.469 5.866 688 HD11 LEU 90 HD11 LEU 90 160.623 6.924 7.595 689 HD12 LEU 90 HD12 LEU 90 161.628 5.514 7.928 690 HD13 LEU 90 HD13 LEU 90 159.871 5.364 7.927 691 HD21 LEU 90 HD21 LEU 90 158.769 5.688 5.180 692 HD22 LEU 90 HD22 LEU 90 160.010 6.512 4.234 693 HD23 LEU 90 HD23 LEU 90 159.449 7.212 5.753 694 H GLY 91 H GLY 91 163.407 4.966 1.751 695 HA2 GLY 91 HA2 GLY 91 166.033 4.467 2.781 696 HA3 GLY 91 HA3 GLY 91 165.540 4.282 1.119 697 H TYR 92 H TYR 92 167.918 5.386 1.922 698 HA TYR 92 HA TYR 92 167.796 7.967 0.610 699 HB2 TYR 92 HB2 TYR 92 169.054 7.710 3.354 700 HB3 TYR 92 HB3 TYR 92 169.031 9.155 2.349 701 HD1 TYR 92 HD1 TYR 92 166.940 6.880 4.373 702 HD2 TYR 92 HD2 TYR 92 167.136 10.597 2.312 703 HE1 TYR 92 HE1 TYR 92 164.826 7.568 5.425 704 HE2 TYR 92 HE2 TYR 92 165.022 11.296 3.359 705 HH TYR 92 HH TYR 92 162.877 9.580 4.494 706 H ARG 93 H ARG 93 169.903 8.550 -0.297 707 HA ARG 93 HA ARG 93 171.879 6.406 0.002 708 HB2 ARG 93 HB2 ARG 93 172.393 6.523 -2.376 709 HB3 ARG 93 HB3 ARG 93 170.697 6.107 -2.109 710 HG2 ARG 93 HG2 ARG 93 170.313 8.671 -2.375 711 HG3 ARG 93 HG3 ARG 93 171.881 8.623 -3.182 712 HD2 ARG 93 HD2 ARG 93 170.813 6.630 -4.495 713 HD3 ARG 93 HD3 ARG 93 169.294 7.361 -3.979 714 HE ARG 93 HE ARG 93 171.122 8.368 -5.957 715 HH11 ARG 93 HH11 ARG 93 168.587 9.207 -3.709 716 HH12 ARG 93 HH12 ARG 93 168.128 10.639 -4.568 717 HH21 ARG 93 HH21 ARG 93 170.519 10.251 -7.088 718 HH22 ARG 93 HH22 ARG 93 169.225 11.232 -6.486 719 H GLN 94 H GLN 94 174.016 6.893 -0.295 720 HA GLN 94 HA GLN 94 174.679 9.741 -0.018 721 HB2 GLN 94 HB2 GLN 94 175.347 8.099 1.822 722 HB3 GLN 94 HB3 GLN 94 176.464 7.400 0.659 723 HG2 GLN 94 HG2 GLN 94 177.162 9.979 0.457 724 HG3 GLN 94 HG3 GLN 94 176.605 9.945 2.130 725 HE21 GLN 94 HE21 GLN 94 179.289 10.335 1.091 726 HE22 GLN 94 HE22 GLN 94 180.263 9.084 1.779 727 H ASP 95 H ASP 95 174.376 9.840 -2.356 728 HA ASP 95 HA ASP 95 176.122 8.403 -4.092 729 HB2 ASP 95 HB2 ASP 95 175.279 10.030 -5.817 730 HB3 ASP 95 HB3 ASP 95 174.032 9.121 -4.974 731 H ASN 96 H ASN 96 177.439 9.699 -5.739 732 HA ASN 96 HA ASN 96 179.305 10.908 -6.189 733 HB2 ASN 96 HB2 ASN 96 177.819 12.822 -5.815 734 HB3 ASN 96 HB3 ASN 96 178.164 12.757 -4.091 735 HD21 ASN 96 HD21 ASN 96 178.809 14.984 -4.381 736 HD22 ASN 96 HD22 ASN 96 180.403 15.341 -4.946 737 H GLY 97 H GLY 97 179.111 8.962 -3.811 738 HA2 GLY 97 HA2 GLY 97 180.918 9.833 -1.824 739 HA3 GLY 97 HA3 GLY 97 180.527 8.158 -2.186 740 H GLU 98 H GLU 98 183.068 8.841 -1.434 741 HA GLU 98 HA GLU 98 184.540 8.013 -3.780 742 HB2 GLU 98 HB2 GLU 98 186.150 9.806 -3.747 743 HB3 GLU 98 HB3 GLU 98 184.540 10.489 -3.928 744 HG2 GLU 98 HG2 GLU 98 184.708 10.659 -1.297 745 HG3 GLU 98 HG3 GLU 98 186.434 10.664 -1.656 746 H TRP 99 H TRP 99 186.538 7.091 -3.329 747 HA TRP 99 HA TRP 99 187.520 7.022 -0.614 748 HB2 TRP 99 HB2 TRP 99 185.842 5.254 -0.535 749 HB3 TRP 99 HB3 TRP 99 186.531 4.502 -1.966 750 HD1 TRP 99 HD1 TRP 99 188.130 5.648 1.387 751 HE1 TRP 99 HE1 TRP 99 189.584 3.712 2.255 752 HE3 TRP 99 HE3 TRP 99 187.166 2.204 -2.265 753 HZ2 TRP 99 HZ2 TRP 99 190.235 1.093 1.489 754 HZ3 TRP 99 HZ3 TRP 99 188.241 -0.002 -2.116 755 HH2 TRP 99 HH2 TRP 99 189.742 -0.548 -0.273 756 H THR 100 H THR 100 189.608 5.753 -0.503 757 HA THR 100 HA THR 100 191.046 6.046 -3.058 758 HB THR 100 HB THR 100 191.584 7.536 -1.040 759 HG1 THR 100 HG1 THR 100 193.257 7.728 -2.274 760 HG21 THR 100 HG21 THR 100 193.510 5.730 0.073 761 HG22 THR 100 HG22 THR 100 191.887 5.064 0.272 762 HG23 THR 100 HG23 THR 100 192.265 6.677 0.886 763 H VAL 101 H VAL 101 192.949 4.729 -3.340 764 HA VAL 101 HA VAL 101 192.874 2.120 -1.979 765 HB VAL 101 HB VAL 101 193.705 2.200 -4.846 766 HG11 VAL 101 HG11 VAL 101 192.575 0.171 -2.945 767 HG12 VAL 101 HG12 VAL 101 194.116 0.151 -3.803 768 HG13 VAL 101 HG13 VAL 101 192.611 -0.111 -4.686 769 HG21 VAL 101 HG21 VAL 101 191.070 1.361 -4.957 770 HG22 VAL 101 HG22 VAL 101 191.693 2.902 -5.538 771 HG23 VAL 101 HG23 VAL 101 191.004 2.783 -3.920 772 H THR 102 H THR 102 194.511 4.746 -2.026 773 HA THR 102 HA THR 102 197.054 4.327 -3.037 774 HB THR 102 HB THR 102 197.740 5.890 -1.092 775 HG1 THR 102 HG1 THR 102 196.257 6.361 0.297 776 HG21 THR 102 HG21 THR 102 196.216 7.770 -2.090 777 HG22 THR 102 HG22 THR 102 195.865 6.537 -3.302 778 HG23 THR 102 HG23 THR 102 197.527 7.061 -3.035 779 H GLU 103 H GLU 103 195.540 2.940 -0.258 780 HA GLU 103 HA GLU 103 197.969 1.393 0.248 781 HB2 GLU 103 HB2 GLU 103 196.436 2.869 2.395 782 HB3 GLU 103 HB3 GLU 103 197.703 1.688 2.698 783 HG2 GLU 103 HG2 GLU 103 199.358 3.088 1.739 784 HG3 GLU 103 HG3 GLU 103 198.143 4.194 1.098 785 H PHE 104 H PHE 104 197.454 -0.375 1.950 786 HA PHE 104 HA PHE 104 194.700 -1.331 1.613 787 HB2 PHE 104 HB2 PHE 104 197.242 -2.883 1.105 788 HB3 PHE 104 HB3 PHE 104 195.685 -3.661 1.359 789 HD1 PHE 104 HD1 PHE 104 197.161 -0.947 -0.747 790 HD2 PHE 104 HD2 PHE 104 194.501 -4.261 -0.505 791 HE1 PHE 104 HE1 PHE 104 196.662 -0.718 -3.146 792 HE2 PHE 104 HE2 PHE 104 194.000 -4.040 -2.904 793 HZ PHE 104 HZ PHE 104 195.082 -2.266 -4.232 794 H VAL 105 H VAL 105 193.950 -2.692 3.309 795 HA VAL 105 HA VAL 105 195.484 -2.344 5.773 796 HB VAL 105 HB VAL 105 193.475 -2.738 7.011 797 HG11 VAL 105 HG11 VAL 105 191.968 -0.961 5.985 798 HG12 VAL 105 HG12 VAL 105 193.151 -0.868 4.679 799 HG13 VAL 105 HG13 VAL 105 193.632 -0.494 6.335 800 HG21 VAL 105 HG21 VAL 105 192.597 -4.002 4.540 801 HG22 VAL 105 HG22 VAL 105 191.383 -2.907 5.201 802 HG23 VAL 105 HG23 VAL 105 192.016 -4.223 6.189 803 H ASN 106 H ASN 106 195.139 -4.151 7.398 804 HA ASN 106 HA ASN 106 196.032 -6.629 6.156 805 HB2 ASN 106 HB2 ASN 106 197.024 -5.324 8.253 806 HB3 ASN 106 HB3 ASN 106 195.844 -6.315 9.103 807 HD21 ASN 106 HD21 ASN 106 197.116 -7.735 10.109 808 HD22 ASN 106 HD22 ASN 106 198.207 -8.814 9.319 809 H GLU 107 H GLU 107 195.169 -8.661 6.633 810 HA GLU 107 HA GLU 107 192.380 -8.844 6.672 811 HB2 GLU 107 HB2 GLU 107 194.452 -10.901 7.477 812 HB3 GLU 107 HB3 GLU 107 192.749 -11.252 7.218 813 HG2 GLU 107 HG2 GLU 107 192.904 -10.783 4.909 814 HG3 GLU 107 HG3 GLU 107 194.500 -10.056 5.092 815 H ASP 108 H ASP 108 194.630 -8.204 9.134 816 HA ASP 108 HA ASP 108 193.165 -9.226 11.364 817 HB2 ASP 108 HB2 ASP 108 195.677 -8.562 11.210 818 HB3 ASP 108 HB3 ASP 108 195.100 -6.931 11.540 819 H GLY 109 H GLY 109 193.121 -6.269 9.491 820 HA2 GLY 109 HA2 GLY 109 190.947 -5.103 9.526 821 HA3 GLY 109 HA3 GLY 109 190.973 -5.283 11.273 822 H THR 110 H THR 110 194.016 -4.536 9.895 823 HA THR 110 HA THR 110 193.588 -1.663 10.222 824 HB THR 110 HB THR 110 195.262 -1.310 11.777 825 HG1 THR 110 HG1 THR 110 196.834 -2.871 12.286 826 HG21 THR 110 HG21 THR 110 194.089 -3.963 12.571 827 HG22 THR 110 HG22 THR 110 193.448 -2.365 12.950 828 HG23 THR 110 HG23 THR 110 194.984 -2.887 13.642 829 HA PRO 111 HA PRO 111 196.049 -0.729 6.798 830 HB2 PRO 111 HB2 PRO 111 198.096 0.394 8.675 831 HB3 PRO 111 HB3 PRO 111 197.421 1.100 7.200 832 HG2 PRO 111 HG2 PRO 111 196.565 1.891 9.596 833 HG3 PRO 111 HG3 PRO 111 195.439 1.713 8.239 834 HD2 PRO 111 HD2 PRO 111 195.798 -0.007 10.632 835 HD3 PRO 111 HD3 PRO 111 194.350 0.274 9.663 836 H ALA 112 H ALA 112 197.248 -1.972 5.590 837 HA ALA 112 HA ALA 112 198.604 -4.216 6.495 838 HB1 ALA 112 HB1 ALA 112 197.681 -3.760 4.189 839 HB2 ALA 112 HB2 ALA 112 199.243 -4.579 4.257 840 HB3 ALA 112 HB3 ALA 112 199.165 -2.858 3.879 841 H ASP 113 H ASP 113 200.384 -4.273 7.694 842 HA ASP 113 HA ASP 113 202.505 -2.299 7.159 843 HB2 ASP 113 HB2 ASP 113 201.234 -2.666 9.521 844 HB3 ASP 113 HB3 ASP 113 202.567 -3.800 9.708 845 H THR 114 H THR 114 204.660 -2.997 7.101 846 HA THR 114 HA THR 114 204.957 -5.825 6.407 847 HB THR 114 HB THR 114 207.355 -4.345 5.930 848 HG1 THR 114 HG1 THR 114 205.008 -3.125 4.911 849 HG21 THR 114 HG21 THR 114 205.683 -6.148 4.557 850 HG22 THR 114 HG22 THR 114 207.300 -5.597 4.117 851 HG23 THR 114 HG23 THR 114 205.881 -4.726 3.533 852 H SER 115 H SER 115 204.708 -5.192 9.140 853 HA SER 115 HA SER 115 207.121 -4.880 10.513 854 HB2 SER 115 HB2 SER 115 204.777 -6.531 11.470 855 HB3 SER 115 HB3 SER 115 205.965 -5.679 12.455 856 HG SER 115 HG SER 115 203.711 -4.728 11.845 857 H LEU 116 H LEU 116 208.124 -6.608 11.920 858 HA LEU 116 HA LEU 116 208.006 -9.329 11.144 859 HB2 LEU 116 HB2 LEU 116 209.288 -7.989 9.252 860 HB3 LEU 116 HB3 LEU 116 210.628 -8.139 10.373 861 HG LEU 116 HG LEU 116 210.778 -9.929 8.800 862 HD11 LEU 116 HD11 LEU 116 209.677 -10.954 11.411 863 HD12 LEU 116 HD12 LEU 116 211.350 -10.496 11.094 864 HD13 LEU 116 HD13 LEU 116 210.642 -11.883 10.265 865 HD21 LEU 116 HD21 LEU 116 207.898 -10.457 9.499 866 HD22 LEU 116 HD22 LEU 116 208.917 -11.608 8.634 867 HD23 LEU 116 HD23 LEU 116 208.571 -10.030 7.926 868 H GLU 117 H GLU 117 207.799 -9.260 13.478 869 HA GLU 117 HA GLU 117 210.415 -9.449 14.766 870 HB2 GLU 117 HB2 GLU 117 209.142 -7.154 15.109 871 HB3 GLU 117 HB3 GLU 117 208.242 -8.089 16.295 872 HG2 GLU 117 HG2 GLU 117 209.976 -8.201 17.725 873 HG3 GLU 117 HG3 GLU 117 211.172 -8.325 16.436 874 HA PRO 118 HA PRO 118 207.861 -13.079 15.883 875 HB2 PRO 118 HB2 PRO 118 209.974 -14.728 16.324 876 HB3 PRO 118 HB3 PRO 118 209.311 -14.425 14.714 877 HG2 PRO 118 HG2 PRO 118 211.706 -13.209 16.035 878 HG3 PRO 118 HG3 PRO 118 211.522 -13.791 14.369 879 HD2 PRO 118 HD2 PRO 118 211.381 -11.167 15.013 880 HD3 PRO 118 HD3 PRO 118 210.436 -11.874 13.687 Start of MODEL 7 1 H GLN 6 H GLN 6 166.856 17.546 4.005 2 HA GLN 6 HA GLN 6 165.026 15.346 4.640 3 HB2 GLN 6 HB2 GLN 6 165.783 14.380 2.458 4 HB3 GLN 6 HB3 GLN 6 164.741 15.785 2.294 5 HG2 GLN 6 HG2 GLN 6 167.607 16.391 2.359 6 HG3 GLN 6 HG3 GLN 6 167.083 15.424 0.982 7 HE21 GLN 6 HE21 GLN 6 168.057 18.180 1.102 8 HE22 GLN 6 HE22 GLN 6 166.817 19.151 0.391 9 H TYR 7 H TYR 7 166.064 13.780 5.701 10 HA TYR 7 HA TYR 7 168.792 14.083 6.445 11 HB2 TYR 7 HB2 TYR 7 167.242 13.057 7.970 12 HB3 TYR 7 HB3 TYR 7 166.865 11.790 6.820 13 HD1 TYR 7 HD1 TYR 7 169.680 13.198 8.811 14 HD2 TYR 7 HD2 TYR 7 168.005 9.761 6.941 15 HE1 TYR 7 HE1 TYR 7 171.424 11.798 9.832 16 HE2 TYR 7 HE2 TYR 7 169.746 8.354 7.955 17 HH TYR 7 HH TYR 7 171.736 9.408 10.461 18 H VAL 8 H VAL 8 170.345 12.264 6.245 19 HA VAL 8 HA VAL 8 170.189 10.859 3.679 20 HB VAL 8 HB VAL 8 172.575 12.462 4.557 21 HG11 VAL 8 HG11 VAL 8 172.007 10.800 2.118 22 HG12 VAL 8 HG12 VAL 8 173.341 10.647 3.263 23 HG13 VAL 8 HG13 VAL 8 173.283 12.019 2.157 24 HG21 VAL 8 HG21 VAL 8 171.823 13.641 2.264 25 HG22 VAL 8 HG22 VAL 8 171.298 14.190 3.856 26 HG23 VAL 8 HG23 VAL 8 170.246 13.158 2.887 27 H VAL 9 H VAL 9 171.808 9.162 3.470 28 HA VAL 9 HA VAL 9 172.117 7.704 5.930 29 HB VAL 9 HB VAL 9 171.547 6.500 3.901 30 HG11 VAL 9 HG11 VAL 9 173.365 8.191 2.673 31 HG12 VAL 9 HG12 VAL 9 172.513 6.842 1.928 32 HG13 VAL 9 HG13 VAL 9 174.128 6.603 2.591 33 HG21 VAL 9 HG21 VAL 9 173.357 4.772 3.937 34 HG22 VAL 9 HG22 VAL 9 172.738 5.211 5.529 35 HG23 VAL 9 HG23 VAL 9 174.286 5.849 4.979 36 HA PRO 10 HA PRO 10 176.154 9.032 7.203 37 HB2 PRO 10 HB2 PRO 10 176.548 6.110 7.697 38 HB3 PRO 10 HB3 PRO 10 176.868 7.480 8.767 39 HG2 PRO 10 HG2 PRO 10 174.723 6.005 9.168 40 HG3 PRO 10 HG3 PRO 10 174.601 7.771 9.273 41 HD2 PRO 10 HD2 PRO 10 173.745 5.942 7.064 42 HD3 PRO 10 HD3 PRO 10 172.936 7.387 7.708 43 H SER 11 H SER 11 178.529 7.825 7.037 44 HA SER 11 HA SER 11 178.848 7.384 4.159 45 HB2 SER 11 HB2 SER 11 179.965 9.372 5.318 46 HB3 SER 11 HB3 SER 11 181.042 8.186 6.053 47 HG SER 11 HG SER 11 182.118 8.220 4.262 48 H ALA 12 H ALA 12 179.924 5.709 3.330 49 HA ALA 12 HA ALA 12 180.305 3.432 5.064 50 HB1 ALA 12 HB1 ALA 12 179.383 3.639 2.546 51 HB2 ALA 12 HB2 ALA 12 180.060 2.158 3.221 52 HB3 ALA 12 HB3 ALA 12 181.065 3.215 2.229 53 H LYS 13 H LYS 13 182.156 3.114 6.102 54 HA LYS 13 HA LYS 13 184.606 4.363 5.211 55 HB2 LYS 13 HB2 LYS 13 183.595 3.521 7.677 56 HB3 LYS 13 HB3 LYS 13 184.918 2.413 7.345 57 HG2 LYS 13 HG2 LYS 13 185.947 4.907 6.710 58 HG3 LYS 13 HG3 LYS 13 184.983 5.186 8.161 59 HD2 LYS 13 HD2 LYS 13 186.325 2.838 8.719 60 HD3 LYS 13 HD3 LYS 13 187.519 3.793 7.842 61 HE2 LYS 13 HE2 LYS 13 187.897 4.516 9.983 62 HE3 LYS 13 HE3 LYS 13 186.709 5.702 9.447 63 HZ1 LYS 13 HZ1 LYS 13 185.101 4.831 10.774 64 HZ2 LYS 13 HZ2 LYS 13 186.450 4.422 11.711 65 HZ3 LYS 13 HZ3 LYS 13 185.724 3.259 10.720 66 H LEU 14 H LEU 14 185.574 3.459 3.504 67 HA LEU 14 HA LEU 14 185.571 0.551 3.222 68 HB2 LEU 14 HB2 LEU 14 186.496 2.657 1.275 69 HB3 LEU 14 HB3 LEU 14 186.326 0.944 0.944 70 HG LEU 14 HG LEU 14 183.806 1.517 1.738 71 HD11 LEU 14 HD11 LEU 14 183.087 3.623 0.960 72 HD12 LEU 14 HD12 LEU 14 184.643 3.961 0.204 73 HD13 LEU 14 HD13 LEU 14 184.505 3.937 1.961 74 HD21 LEU 14 HD21 LEU 14 183.497 0.634 -0.274 75 HD22 LEU 14 HD22 LEU 14 185.177 0.968 -0.696 76 HD23 LEU 14 HD23 LEU 14 183.931 2.175 -1.017 77 H GLU 15 H GLU 15 187.444 -0.632 2.788 78 HA GLU 15 HA GLU 15 190.028 0.633 3.300 79 HB2 GLU 15 HB2 GLU 15 188.695 -1.401 5.012 80 HB3 GLU 15 HB3 GLU 15 190.412 -1.623 4.704 81 HG2 GLU 15 HG2 GLU 15 190.936 0.494 5.662 82 HG3 GLU 15 HG3 GLU 15 189.231 0.927 5.770 83 H ALA 16 H ALA 16 191.664 -0.257 2.065 84 HA ALA 16 HA ALA 16 190.828 -2.244 0.116 85 HB1 ALA 16 HB1 ALA 16 193.586 -1.568 -0.164 86 HB2 ALA 16 HB2 ALA 16 192.662 -0.097 0.140 87 HB3 ALA 16 HB3 ALA 16 192.229 -1.148 -1.208 88 H ILE 17 H ILE 17 190.736 -4.223 1.006 89 HA ILE 17 HA ILE 17 192.690 -5.237 2.829 90 HB ILE 17 HB ILE 17 190.672 -6.838 1.255 91 HG12 ILE 17 HG12 ILE 17 189.543 -4.980 2.396 92 HG13 ILE 17 HG13 ILE 17 189.145 -6.520 3.151 93 HG21 ILE 17 HG21 ILE 17 191.840 -8.470 2.280 94 HG22 ILE 17 HG22 ILE 17 190.858 -8.012 3.673 95 HG23 ILE 17 HG23 ILE 17 192.495 -7.381 3.503 96 HD11 ILE 17 HD11 ILE 17 190.036 -4.233 4.417 97 HD12 ILE 17 HD12 ILE 17 191.446 -5.291 4.390 98 HD13 ILE 17 HD13 ILE 17 189.937 -5.853 5.109 99 H TYR 18 H TYR 18 194.228 -6.849 2.491 100 HA TYR 18 HA TYR 18 195.125 -7.110 -0.298 101 HB2 TYR 18 HB2 TYR 18 196.511 -6.328 1.990 102 HB3 TYR 18 HB3 TYR 18 197.030 -7.989 1.722 103 HD1 TYR 18 HD1 TYR 18 196.629 -4.739 -0.060 104 HD2 TYR 18 HD2 TYR 18 198.722 -8.434 0.190 105 HE1 TYR 18 HE1 TYR 18 198.190 -3.964 -1.794 106 HE2 TYR 18 HE2 TYR 18 200.290 -7.669 -1.543 107 HH TYR 18 HH TYR 18 199.983 -5.742 -3.583 108 HA PRO 19 HA PRO 19 196.495 -8.218 -1.354 109 HB2 PRO 19 HB2 PRO 19 196.577 -10.276 -3.218 110 HB3 PRO 19 HB3 PRO 19 197.793 -9.970 -1.978 111 HG2 PRO 19 HG2 PRO 19 196.026 -12.197 -2.168 112 HG3 PRO 19 HG3 PRO 19 197.184 -11.844 -0.879 113 HD2 PRO 19 HD2 PRO 19 194.261 -11.375 -0.974 114 HD3 PRO 19 HD3 PRO 19 195.321 -11.623 0.427 115 H ARG 20 H ARG 20 193.365 -9.231 -1.280 116 HA ARG 20 HA ARG 20 192.525 -7.501 -3.312 117 HB2 ARG 20 HB2 ARG 20 191.448 -9.279 -4.771 118 HB3 ARG 20 HB3 ARG 20 193.191 -9.105 -4.917 119 HG2 ARG 20 HG2 ARG 20 192.712 -11.018 -2.895 120 HG3 ARG 20 HG3 ARG 20 191.672 -11.419 -4.264 121 HD2 ARG 20 HD2 ARG 20 194.485 -10.697 -4.857 122 HD3 ARG 20 HD3 ARG 20 194.199 -12.253 -4.078 123 HE ARG 20 HE ARG 20 193.559 -11.520 -6.784 124 HH11 ARG 20 HH11 ARG 20 192.800 -13.673 -4.145 125 HH12 ARG 20 HH12 ARG 20 192.145 -14.903 -5.173 126 HH21 ARG 20 HH21 ARG 20 192.697 -13.137 -8.138 127 HH22 ARG 20 HH22 ARG 20 192.088 -14.599 -7.439 128 H GLY 21 H GLY 21 191.385 -6.899 -1.362 129 HA2 GLY 21 HA2 GLY 21 188.840 -8.310 -1.177 130 HA3 GLY 21 HA3 GLY 21 189.755 -8.127 0.300 131 H LEU 22 H LEU 22 187.594 -7.032 0.803 132 HA LEU 22 HA LEU 22 188.022 -4.178 0.617 133 HB2 LEU 22 HB2 LEU 22 186.785 -4.425 -1.390 134 HB3 LEU 22 HB3 LEU 22 185.651 -5.534 -0.643 135 HG LEU 22 HG LEU 22 184.665 -3.735 0.645 136 HD11 LEU 22 HD11 LEU 22 187.121 -2.452 0.218 137 HD12 LEU 22 HD12 LEU 22 185.726 -1.848 1.112 138 HD13 LEU 22 HD13 LEU 22 185.905 -1.470 -0.601 139 HD21 LEU 22 HD21 LEU 22 183.462 -2.785 -1.063 140 HD22 LEU 22 HD22 LEU 22 184.177 -4.168 -1.890 141 HD23 LEU 22 HD23 LEU 22 184.881 -2.564 -2.087 142 H ARG 23 H ARG 23 187.094 -3.042 2.281 143 HA ARG 23 HA ARG 23 185.316 -4.493 4.112 144 HB2 ARG 23 HB2 ARG 23 188.049 -3.605 4.637 145 HB3 ARG 23 HB3 ARG 23 186.896 -2.962 5.801 146 HG2 ARG 23 HG2 ARG 23 186.490 -5.792 5.285 147 HG3 ARG 23 HG3 ARG 23 188.107 -5.433 5.893 148 HD2 ARG 23 HD2 ARG 23 185.911 -4.048 7.275 149 HD3 ARG 23 HD3 ARG 23 185.922 -5.801 7.457 150 HE ARG 23 HE ARG 23 188.491 -5.071 7.969 151 HH11 ARG 23 HH11 ARG 23 185.391 -4.114 9.253 152 HH12 ARG 23 HH12 ARG 23 186.013 -3.751 10.826 153 HH21 ARG 23 HH21 ARG 23 189.313 -4.594 10.039 154 HH22 ARG 23 HH22 ARG 23 188.242 -4.021 11.274 155 H VAL 24 H VAL 24 183.514 -3.283 3.717 156 HA VAL 24 HA VAL 24 183.745 -0.370 4.106 157 HB VAL 24 HB VAL 24 181.573 -1.781 2.565 158 HG11 VAL 24 HG11 VAL 24 182.173 1.014 3.279 159 HG12 VAL 24 HG12 VAL 24 180.628 0.232 2.942 160 HG13 VAL 24 HG13 VAL 24 181.671 0.737 1.611 161 HG21 VAL 24 HG21 VAL 24 182.720 -1.021 0.532 162 HG22 VAL 24 HG22 VAL 24 183.699 -2.163 1.451 163 HG23 VAL 24 HG23 VAL 24 184.063 -0.439 1.514 164 H SER 25 H SER 25 182.327 0.674 5.467 165 HA SER 25 HA SER 25 180.162 -0.843 6.698 166 HB2 SER 25 HB2 SER 25 181.765 0.636 8.678 167 HB3 SER 25 HB3 SER 25 180.966 -0.928 8.808 168 HG SER 25 HG SER 25 183.433 -0.385 7.512 169 H ILE 26 H ILE 26 178.485 0.377 7.408 170 HA ILE 26 HA ILE 26 178.721 3.325 7.301 171 HB ILE 26 HB ILE 26 176.432 3.377 6.265 172 HG12 ILE 26 HG12 ILE 26 176.487 0.958 4.829 173 HG13 ILE 26 HG13 ILE 26 176.757 0.520 6.510 174 HG21 ILE 26 HG21 ILE 26 177.277 2.922 3.960 175 HG22 ILE 26 HG22 ILE 26 178.740 2.264 4.692 176 HG23 ILE 26 HG23 ILE 26 178.316 3.959 4.937 177 HD11 ILE 26 HD11 ILE 26 174.590 2.444 6.061 178 HD12 ILE 26 HD12 ILE 26 174.657 1.023 7.104 179 HD13 ILE 26 HD13 ILE 26 174.330 0.838 5.381 180 HA PRO 27 HA PRO 27 176.885 2.800 11.402 181 HB2 PRO 27 HB2 PRO 27 176.004 5.577 10.731 182 HB3 PRO 27 HB3 PRO 27 176.729 4.958 12.218 183 HG2 PRO 27 HG2 PRO 27 178.182 6.353 10.474 184 HG3 PRO 27 HG3 PRO 27 178.873 4.968 11.338 185 HD2 PRO 27 HD2 PRO 27 178.030 5.198 8.498 186 HD3 PRO 27 HD3 PRO 27 179.301 4.197 9.223 187 H ASP 28 H ASP 28 175.021 1.736 11.677 188 HA ASP 28 HA ASP 28 172.842 2.011 9.828 189 HB2 ASP 28 HB2 ASP 28 173.359 -0.192 10.695 190 HB3 ASP 28 HB3 ASP 28 173.142 0.367 12.349 191 H ASP 29 H ASP 29 170.639 2.411 10.481 192 HA ASP 29 HA ASP 29 170.245 3.948 12.922 193 HB2 ASP 29 HB2 ASP 29 170.797 5.331 10.642 194 HB3 ASP 29 HB3 ASP 29 169.042 5.212 10.537 195 H GLY 30 H GLY 30 169.367 1.429 12.467 196 HA2 GLY 30 HA2 GLY 30 167.472 0.175 12.688 197 HA3 GLY 30 HA3 GLY 30 166.586 1.679 12.803 198 H PHE 31 H PHE 31 168.588 0.646 10.092 199 HA PHE 31 HA PHE 31 166.374 1.081 8.289 200 HB2 PHE 31 HB2 PHE 31 169.113 0.029 7.583 201 HB3 PHE 31 HB3 PHE 31 167.954 0.806 6.511 202 HD1 PHE 31 HD1 PHE 31 167.151 3.192 7.793 203 HD2 PHE 31 HD2 PHE 31 170.980 1.335 7.859 204 HE1 PHE 31 HE1 PHE 31 168.196 5.373 8.239 205 HE2 PHE 31 HE2 PHE 31 172.032 3.514 8.308 206 HZ PHE 31 HZ PHE 31 170.640 5.536 8.497 207 H SER 32 H SER 32 166.667 -0.664 6.328 208 HA SER 32 HA SER 32 166.329 -3.330 7.496 209 HB2 SER 32 HB2 SER 32 164.092 -2.402 7.130 210 HB3 SER 32 HB3 SER 32 164.502 -2.040 5.454 211 HG SER 32 HG SER 32 164.283 -4.090 4.942 212 H LEU 33 H LEU 33 167.357 -1.316 4.821 213 HA LEU 33 HA LEU 33 168.802 -3.643 3.782 214 HB2 LEU 33 HB2 LEU 33 166.543 -3.260 2.530 215 HB3 LEU 33 HB3 LEU 33 167.391 -1.919 1.808 216 HG LEU 33 HG LEU 33 169.173 -3.501 1.065 217 HD11 LEU 33 HD11 LEU 33 168.122 -5.258 2.792 218 HD12 LEU 33 HD12 LEU 33 169.072 -5.728 1.383 219 HD13 LEU 33 HD13 LEU 33 167.309 -5.773 1.315 220 HD21 LEU 33 HD21 LEU 33 166.696 -4.502 -0.188 221 HD22 LEU 33 HD22 LEU 33 168.136 -3.786 -0.917 222 HD23 LEU 33 HD23 LEU 33 166.915 -2.751 -0.171 223 H PHE 34 H PHE 34 170.777 -3.185 3.112 224 HA PHE 34 HA PHE 34 171.488 -0.369 2.661 225 HB2 PHE 34 HB2 PHE 34 172.562 -1.071 4.666 226 HB3 PHE 34 HB3 PHE 34 173.044 -2.600 3.956 227 HD1 PHE 34 HD1 PHE 34 173.400 0.961 2.898 228 HD2 PHE 34 HD2 PHE 34 175.319 -2.742 3.739 229 HE1 PHE 34 HE1 PHE 34 175.557 1.931 2.223 230 HE2 PHE 34 HE2 PHE 34 177.481 -1.780 3.067 231 HZ PHE 34 HZ PHE 34 177.602 0.560 2.307 232 H ALA 35 H ALA 35 171.618 -0.147 0.486 233 HA ALA 35 HA ALA 35 172.878 -2.301 -1.068 234 HB1 ALA 35 HB1 ALA 35 171.383 -1.902 -2.667 235 HB2 ALA 35 HB2 ALA 35 171.730 -0.173 -2.657 236 HB3 ALA 35 HB3 ALA 35 170.559 -0.844 -1.522 237 H PHE 36 H PHE 36 174.942 -2.047 -1.603 238 HA PHE 36 HA PHE 36 176.033 0.680 -1.729 239 HB2 PHE 36 HB2 PHE 36 177.067 -0.878 -0.093 240 HB3 PHE 36 HB3 PHE 36 177.522 -1.936 -1.425 241 HD1 PHE 36 HD1 PHE 36 179.062 -0.986 -3.219 242 HD2 PHE 36 HD2 PHE 36 178.448 0.873 0.559 243 HE1 PHE 36 HE1 PHE 36 181.159 0.270 -3.500 244 HE2 PHE 36 HE2 PHE 36 180.544 2.132 0.285 245 HZ PHE 36 HZ PHE 36 181.902 1.831 -1.747 246 H HIS 37 H HIS 37 176.612 1.505 -3.619 247 HA HIS 37 HA HIS 37 177.137 -0.290 -5.887 248 HB2 HIS 37 HB2 HIS 37 175.145 1.745 -5.538 249 HB3 HIS 37 HB3 HIS 37 176.265 2.241 -6.785 250 HD1 HIS 37 HD1 HIS 37 175.618 -1.392 -6.452 251 HD2 HIS 37 HD2 HIS 37 174.180 1.801 -8.690 252 HE1 HIS 37 HE1 HIS 37 174.254 -2.423 -8.294 253 HE2 HIS 37 HE2 HIS 37 173.339 -0.470 -9.597 254 H GLY 38 H GLY 38 179.223 -0.019 -6.649 255 HA2 GLY 38 HA2 GLY 38 180.320 2.683 -6.655 256 HA3 GLY 38 HA3 GLY 38 181.139 1.543 -5.605 257 H LYS 39 H LYS 39 181.787 3.061 -8.168 258 HA LYS 39 HA LYS 39 182.759 0.762 -9.728 259 HB2 LYS 39 HB2 LYS 39 181.216 2.612 -10.765 260 HB3 LYS 39 HB3 LYS 39 182.697 3.558 -10.806 261 HG2 LYS 39 HG2 LYS 39 183.767 1.803 -12.146 262 HG3 LYS 39 HG3 LYS 39 182.258 0.887 -12.130 263 HD2 LYS 39 HD2 LYS 39 181.986 3.674 -13.009 264 HD3 LYS 39 HD3 LYS 39 182.985 2.669 -14.061 265 HE2 LYS 39 HE2 LYS 39 180.854 1.032 -13.551 266 HE3 LYS 39 HE3 LYS 39 180.096 2.623 -13.599 267 HZ1 LYS 39 HZ1 LYS 39 180.057 1.816 -15.786 268 HZ2 LYS 39 HZ2 LYS 39 181.663 1.289 -15.726 269 HZ3 LYS 39 HZ3 LYS 39 181.317 2.944 -15.763 270 H LEU 40 H LEU 40 184.927 0.631 -10.230 271 HA LEU 40 HA LEU 40 186.666 2.352 -8.626 272 HB2 LEU 40 HB2 LEU 40 186.862 -0.089 -8.374 273 HB3 LEU 40 HB3 LEU 40 187.279 -0.226 -10.071 274 HG LEU 40 HG LEU 40 189.289 1.227 -9.586 275 HD11 LEU 40 HD11 LEU 40 188.059 1.724 -7.217 276 HD12 LEU 40 HD12 LEU 40 189.778 1.963 -7.526 277 HD13 LEU 40 HD13 LEU 40 189.220 0.480 -6.754 278 HD21 LEU 40 HD21 LEU 40 189.868 -0.969 -9.898 279 HD22 LEU 40 HD22 LEU 40 188.870 -1.537 -8.560 280 HD23 LEU 40 HD23 LEU 40 190.403 -0.728 -8.235 281 H ASN 41 H ASN 41 187.867 3.891 -9.496 282 HA ASN 41 HA ASN 41 188.957 5.201 -10.999 283 HB2 ASN 41 HB2 ASN 41 189.753 2.624 -11.582 284 HB3 ASN 41 HB3 ASN 41 189.210 3.224 -13.146 285 HD21 ASN 41 HD21 ASN 41 191.396 3.080 -13.834 286 HD22 ASN 41 HD22 ASN 41 192.532 4.315 -13.417 287 H GLU 42 H GLU 42 186.321 5.594 -11.028 288 HA GLU 42 HA GLU 42 185.797 6.811 -13.444 289 HB2 GLU 42 HB2 GLU 42 185.617 4.515 -14.355 290 HB3 GLU 42 HB3 GLU 42 184.320 4.183 -13.211 291 HG2 GLU 42 HG2 GLU 42 182.949 5.900 -14.229 292 HG3 GLU 42 HG3 GLU 42 184.257 6.312 -15.336 293 H GLU 43 H GLU 43 184.771 8.429 -12.562 294 HA GLU 43 HA GLU 43 183.253 8.409 -10.235 295 HB2 GLU 43 HB2 GLU 43 182.951 10.368 -12.511 296 HB3 GLU 43 HB3 GLU 43 182.558 10.642 -10.819 297 HG2 GLU 43 HG2 GLU 43 184.883 10.500 -10.215 298 HG3 GLU 43 HG3 GLU 43 185.310 10.101 -11.872 299 H MET 44 H MET 44 180.915 9.705 -10.702 300 HA MET 44 HA MET 44 179.242 8.389 -12.596 301 HB2 MET 44 HB2 MET 44 177.855 7.579 -10.350 302 HB3 MET 44 HB3 MET 44 178.789 6.534 -11.412 303 HG2 MET 44 HG2 MET 44 180.488 6.304 -9.927 304 HG3 MET 44 HG3 MET 44 180.247 7.903 -9.229 305 HE1 MET 44 HE1 MET 44 178.043 4.034 -8.070 306 HE2 MET 44 HE2 MET 44 179.410 4.174 -9.178 307 HE3 MET 44 HE3 MET 44 177.811 4.721 -9.679 308 H ASP 45 H ASP 45 177.015 9.134 -12.474 309 HA ASP 45 HA ASP 45 176.528 11.383 -10.675 310 HB2 ASP 45 HB2 ASP 45 177.571 12.172 -12.877 311 HB3 ASP 45 HB3 ASP 45 176.059 11.686 -13.635 312 H GLY 46 H GLY 46 175.342 9.004 -10.361 313 HA2 GLY 46 HA2 GLY 46 172.653 9.501 -10.295 314 HA3 GLY 46 HA3 GLY 46 172.953 8.676 -11.817 315 H LEU 47 H LEU 47 172.076 6.707 -11.439 316 HA LEU 47 HA LEU 47 173.159 5.200 -9.175 317 HB2 LEU 47 HB2 LEU 47 170.464 4.960 -10.498 318 HB3 LEU 47 HB3 LEU 47 171.038 4.023 -9.140 319 HG LEU 47 HG LEU 47 170.858 7.012 -9.020 320 HD11 LEU 47 HD11 LEU 47 168.693 6.732 -7.882 321 HD12 LEU 47 HD12 LEU 47 168.723 5.011 -8.267 322 HD13 LEU 47 HD13 LEU 47 168.631 6.203 -9.563 323 HD21 LEU 47 HD21 LEU 47 172.205 5.534 -7.387 324 HD22 LEU 47 HD22 LEU 47 170.626 5.080 -6.745 325 HD23 LEU 47 HD23 LEU 47 171.129 6.770 -6.731 326 H GLU 48 H GLU 48 174.847 4.879 -10.939 327 HA GLU 48 HA GLU 48 174.115 2.955 -12.987 328 HB2 GLU 48 HB2 GLU 48 176.538 4.566 -12.344 329 HB3 GLU 48 HB3 GLU 48 176.754 3.087 -13.273 330 HG2 GLU 48 HG2 GLU 48 174.599 4.439 -14.452 331 HG3 GLU 48 HG3 GLU 48 175.830 5.658 -14.130 332 H ALA 49 H ALA 49 174.909 0.853 -13.132 333 HA ALA 49 HA ALA 49 174.965 -0.658 -10.835 334 HB1 ALA 49 HB1 ALA 49 174.671 -1.365 -13.297 335 HB2 ALA 49 HB2 ALA 49 175.421 -2.497 -12.170 336 HB3 ALA 49 HB3 ALA 49 176.422 -1.564 -13.281 337 H GLY 50 H GLY 50 177.563 1.081 -12.343 338 HA2 GLY 50 HA2 GLY 50 179.806 1.260 -11.857 339 HA3 GLY 50 HA3 GLY 50 179.267 1.099 -10.192 340 H HIS 51 H HIS 51 180.186 -0.485 -9.096 341 HA HIS 51 HA HIS 51 180.778 -3.004 -10.440 342 HB2 HIS 51 HB2 HIS 51 182.774 -1.160 -9.261 343 HB3 HIS 51 HB3 HIS 51 182.976 -2.867 -8.888 344 HD1 HIS 51 HD1 HIS 51 183.687 -0.387 -11.441 345 HD2 HIS 51 HD2 HIS 51 183.192 -4.512 -11.316 346 HE1 HIS 51 HE1 HIS 51 184.695 -1.251 -13.576 347 HE2 HIS 51 HE2 HIS 51 184.473 -3.756 -13.433 348 H TRP 52 H TRP 52 181.567 -1.648 -7.246 349 HA TRP 52 HA TRP 52 180.852 -3.965 -5.830 350 HB2 TRP 52 HB2 TRP 52 181.070 -1.080 -4.957 351 HB3 TRP 52 HB3 TRP 52 180.777 -2.405 -3.838 352 HD1 TRP 52 HD1 TRP 52 182.808 -4.416 -3.978 353 HE1 TRP 52 HE1 TRP 52 185.351 -4.028 -4.068 354 HE3 TRP 52 HE3 TRP 52 182.834 0.420 -5.630 355 HZ2 TRP 52 HZ2 TRP 52 187.132 -1.946 -4.747 356 HZ3 TRP 52 HZ3 TRP 52 184.998 1.538 -5.974 357 HH2 TRP 52 HH2 TRP 52 187.102 0.378 -5.541 358 H ALA 53 H ALA 53 178.822 -4.676 -6.510 359 HA ALA 53 HA ALA 53 176.542 -2.988 -5.714 360 HB1 ALA 53 HB1 ALA 53 175.227 -4.221 -7.419 361 HB2 ALA 53 HB2 ALA 53 176.713 -5.016 -7.939 362 HB3 ALA 53 HB3 ALA 53 176.544 -3.268 -8.102 363 H ARG 54 H ARG 54 176.524 -3.836 -3.588 364 HA ARG 54 HA ARG 54 175.487 -6.578 -3.439 365 HB2 ARG 54 HB2 ARG 54 177.796 -6.613 -2.748 366 HB3 ARG 54 HB3 ARG 54 177.532 -5.280 -1.644 367 HG2 ARG 54 HG2 ARG 54 177.126 -6.753 -0.037 368 HG3 ARG 54 HG3 ARG 54 175.682 -7.261 -0.916 369 HD2 ARG 54 HD2 ARG 54 176.671 -9.132 -1.727 370 HD3 ARG 54 HD3 ARG 54 178.252 -8.365 -1.865 371 HE ARG 54 HE ARG 54 178.756 -9.066 0.265 372 HH11 ARG 54 HH11 ARG 54 175.351 -9.549 -0.337 373 HH12 ARG 54 HH12 ARG 54 175.106 -10.495 1.093 374 HH21 ARG 54 HH21 ARG 54 178.434 -10.310 2.144 375 HH22 ARG 54 HH22 ARG 54 176.855 -10.926 2.502 376 H ASP 55 H ASP 55 173.502 -6.569 -2.646 377 HA ASP 55 HA ASP 55 172.561 -4.344 -1.016 378 HB2 ASP 55 HB2 ASP 55 170.337 -5.563 -1.327 379 HB3 ASP 55 HB3 ASP 55 171.061 -4.852 -2.762 380 H ILE 56 H ILE 56 173.028 -4.557 1.093 381 HA ILE 56 HA ILE 56 173.033 -7.169 2.359 382 HB ILE 56 HB ILE 56 173.368 -4.555 3.806 383 HG12 ILE 56 HG12 ILE 56 174.869 -4.546 1.830 384 HG13 ILE 56 HG13 ILE 56 175.755 -4.621 3.351 385 HG21 ILE 56 HG21 ILE 56 173.305 -6.227 5.377 386 HG22 ILE 56 HG22 ILE 56 175.035 -6.152 5.039 387 HG23 ILE 56 HG23 ILE 56 174.047 -7.414 4.303 388 HD11 ILE 56 HD11 ILE 56 176.877 -6.163 2.089 389 HD12 ILE 56 HD12 ILE 56 175.422 -6.696 1.248 390 HD13 ILE 56 HD13 ILE 56 175.706 -7.191 2.917 391 H THR 57 H THR 57 171.672 -7.777 4.083 392 HA THR 57 HA THR 57 169.354 -6.067 4.604 393 HB THR 57 HB THR 57 168.629 -7.542 2.820 394 HG1 THR 57 HG1 THR 57 167.608 -8.419 5.315 395 HG21 THR 57 HG21 THR 57 169.950 -9.622 4.434 396 HG22 THR 57 HG22 THR 57 169.764 -9.480 2.686 397 HG23 THR 57 HG23 THR 57 168.422 -10.062 3.672 398 H LYS 58 H LYS 58 171.560 -6.566 6.282 399 HA LYS 58 HA LYS 58 170.273 -7.264 8.671 400 HB2 LYS 58 HB2 LYS 58 170.864 -9.530 7.280 401 HB3 LYS 58 HB3 LYS 58 172.314 -9.350 8.258 402 HG2 LYS 58 HG2 LYS 58 171.027 -10.627 9.644 403 HG3 LYS 58 HG3 LYS 58 170.589 -9.011 10.200 404 HD2 LYS 58 HD2 LYS 58 168.961 -10.021 7.976 405 HD3 LYS 58 HD3 LYS 58 168.814 -10.945 9.472 406 HE2 LYS 58 HE2 LYS 58 167.868 -9.211 10.613 407 HE3 LYS 58 HE3 LYS 58 168.707 -7.986 9.663 408 HZ1 LYS 58 HZ1 LYS 58 167.120 -9.071 7.815 409 HZ2 LYS 58 HZ2 LYS 58 166.689 -7.726 8.746 410 HZ3 LYS 58 HZ3 LYS 58 166.151 -9.267 9.188 411 HA PRO 59 HA PRO 59 173.894 -4.551 9.332 412 HB2 PRO 59 HB2 PRO 59 172.613 -4.593 12.024 413 HB3 PRO 59 HB3 PRO 59 173.218 -3.219 11.090 414 HG2 PRO 59 HG2 PRO 59 170.602 -3.695 11.276 415 HG3 PRO 59 HG3 PRO 59 171.319 -3.126 9.759 416 HD2 PRO 59 HD2 PRO 59 170.366 -5.852 10.502 417 HD3 PRO 59 HD3 PRO 59 170.319 -5.029 8.931 418 H LYS 60 H LYS 60 175.340 -4.470 11.439 419 HA LYS 60 HA LYS 60 175.987 -7.262 12.150 420 HB2 LYS 60 HB2 LYS 60 177.859 -4.913 11.791 421 HB3 LYS 60 HB3 LYS 60 178.344 -6.502 12.365 422 HG2 LYS 60 HG2 LYS 60 176.889 -6.530 9.826 423 HG3 LYS 60 HG3 LYS 60 178.436 -5.682 9.779 424 HD2 LYS 60 HD2 LYS 60 179.598 -7.618 10.570 425 HD3 LYS 60 HD3 LYS 60 178.080 -8.462 10.889 426 HE2 LYS 60 HE2 LYS 60 178.274 -7.548 8.141 427 HE3 LYS 60 HE3 LYS 60 179.606 -8.616 8.581 428 HZ1 LYS 60 HZ1 LYS 60 177.345 -9.563 7.706 429 HZ2 LYS 60 HZ2 LYS 60 176.886 -9.408 9.326 430 HZ3 LYS 60 HZ3 LYS 60 178.213 -10.371 8.912 431 H GLU 61 H GLU 61 176.823 -4.007 13.310 432 HA GLU 61 HA GLU 61 175.615 -4.542 15.874 433 HB2 GLU 61 HB2 GLU 61 178.519 -4.643 15.444 434 HB3 GLU 61 HB3 GLU 61 178.030 -3.565 16.743 435 HG2 GLU 61 HG2 GLU 61 177.361 -5.254 18.078 436 HG3 GLU 61 HG3 GLU 61 176.779 -6.233 16.734 437 H GLY 62 H GLY 62 174.254 -2.878 15.196 438 HA2 GLY 62 HA2 GLY 62 173.559 -0.682 15.305 439 HA3 GLY 62 HA3 GLY 62 175.143 -0.264 15.951 440 H ARG 63 H ARG 63 175.756 -2.008 13.252 441 HA ARG 63 HA ARG 63 175.304 0.015 11.253 442 HB2 ARG 63 HB2 ARG 63 177.729 0.301 10.729 443 HB3 ARG 63 HB3 ARG 63 177.241 1.014 12.261 444 HG2 ARG 63 HG2 ARG 63 178.050 -1.173 13.320 445 HG3 ARG 63 HG3 ARG 63 178.854 -1.462 11.776 446 HD2 ARG 63 HD2 ARG 63 180.340 -0.396 13.424 447 HD3 ARG 63 HD3 ARG 63 180.093 0.604 11.994 448 HE ARG 63 HE ARG 63 179.057 2.174 13.305 449 HH11 ARG 63 HH11 ARG 63 179.344 -0.804 15.101 450 HH12 ARG 63 HH12 ARG 63 178.834 -0.097 16.598 451 HH21 ARG 63 HH21 ARG 63 178.387 3.107 15.273 452 HH22 ARG 63 HH22 ARG 63 178.289 2.123 16.694 453 H TRP 64 H TRP 64 176.077 -0.670 9.102 454 HA TRP 64 HA TRP 64 175.964 -3.568 8.880 455 HB2 TRP 64 HB2 TRP 64 175.865 -1.528 6.667 456 HB3 TRP 64 HB3 TRP 64 175.413 -3.213 6.584 457 HD1 TRP 64 HD1 TRP 64 174.241 -0.296 8.882 458 HE1 TRP 64 HE1 TRP 64 171.671 -0.347 8.934 459 HE3 TRP 64 HE3 TRP 64 173.415 -4.268 5.762 460 HZ2 TRP 64 HZ2 TRP 64 169.572 -1.850 7.814 461 HZ3 TRP 64 HZ3 TRP 64 171.091 -4.944 5.310 462 HH2 TRP 64 HH2 TRP 64 169.210 -3.759 6.321 463 H THR 65 H THR 65 177.411 -4.670 7.452 464 HA THR 65 HA THR 65 179.957 -3.300 6.952 465 HB THR 65 HB THR 65 179.674 -6.022 8.241 466 HG1 THR 65 HG1 THR 65 180.322 -5.057 10.067 467 HG21 THR 65 HG21 THR 65 181.669 -6.353 7.250 468 HG22 THR 65 HG22 THR 65 182.240 -5.395 8.616 469 HG23 THR 65 HG23 THR 65 181.983 -4.630 7.048 470 H PHE 66 H PHE 66 180.378 -3.426 4.859 471 HA PHE 66 HA PHE 66 179.512 -5.826 3.389 472 HB2 PHE 66 HB2 PHE 66 178.414 -3.898 2.493 473 HB3 PHE 66 HB3 PHE 66 179.912 -2.977 2.468 474 HD1 PHE 66 HD1 PHE 66 179.210 -6.431 1.276 475 HD2 PHE 66 HD2 PHE 66 180.280 -2.442 0.250 476 HE1 PHE 66 HE1 PHE 66 179.607 -7.138 -1.047 477 HE2 PHE 66 HE2 PHE 66 180.679 -3.142 -2.072 478 HZ PHE 66 HZ PHE 66 180.343 -5.493 -2.725 479 H ARG 67 H ARG 67 181.132 -7.192 3.064 480 HA ARG 67 HA ARG 67 183.798 -6.090 2.470 481 HB2 ARG 67 HB2 ARG 67 183.063 -8.636 3.919 482 HB3 ARG 67 HB3 ARG 67 184.697 -8.230 3.412 483 HG2 ARG 67 HG2 ARG 67 184.588 -6.202 4.819 484 HG3 ARG 67 HG3 ARG 67 182.999 -6.718 5.384 485 HD2 ARG 67 HD2 ARG 67 184.860 -8.880 5.647 486 HD3 ARG 67 HD3 ARG 67 185.527 -7.434 6.405 487 HE ARG 67 HE ARG 67 182.786 -7.994 7.106 488 HH11 ARG 67 HH11 ARG 67 186.139 -8.550 7.906 489 HH12 ARG 67 HH12 ARG 67 185.809 -8.939 9.560 490 HH21 ARG 67 HH21 ARG 67 182.352 -8.505 9.282 491 HH22 ARG 67 HH22 ARG 67 183.658 -8.913 10.342 492 H ASP 68 H ASP 68 184.986 -6.995 0.824 493 HA ASP 68 HA ASP 68 183.758 -9.143 -0.746 494 HB2 ASP 68 HB2 ASP 68 183.454 -6.569 -1.548 495 HB3 ASP 68 HB3 ASP 68 184.983 -6.964 -2.329 496 H ARG 69 H ARG 69 185.250 -10.689 -0.609 497 HA ARG 69 HA ARG 69 188.079 -10.029 -0.555 498 HB2 ARG 69 HB2 ARG 69 186.801 -12.761 -0.453 499 HB3 ARG 69 HB3 ARG 69 188.444 -12.338 0.007 500 HG2 ARG 69 HG2 ARG 69 187.698 -11.152 1.921 501 HG3 ARG 69 HG3 ARG 69 186.016 -11.233 1.392 502 HD2 ARG 69 HD2 ARG 69 187.700 -13.639 2.071 503 HD3 ARG 69 HD3 ARG 69 186.609 -12.843 3.205 504 HE ARG 69 HE ARG 69 185.346 -13.635 0.747 505 HH11 ARG 69 HH11 ARG 69 186.269 -14.663 3.952 506 HH12 ARG 69 HH12 ARG 69 185.065 -15.906 4.035 507 HH21 ARG 69 HH21 ARG 69 183.762 -15.269 0.855 508 HH22 ARG 69 HH22 ARG 69 183.642 -16.251 2.277 509 H ASN 70 H ASN 70 186.357 -9.762 -3.029 510 HA ASN 70 HA ASN 70 188.161 -11.246 -4.802 511 HB2 ASN 70 HB2 ASN 70 185.180 -11.019 -5.264 512 HB3 ASN 70 HB3 ASN 70 186.342 -11.871 -6.279 513 HD21 ASN 70 HD21 ASN 70 187.760 -13.415 -4.795 514 HD22 ASN 70 HD22 ASN 70 186.815 -14.488 -3.825 515 H ALA 71 H ALA 71 188.161 -8.490 -3.940 516 HA ALA 71 HA ALA 71 187.342 -7.056 -6.362 517 HB1 ALA 71 HB1 ALA 71 186.975 -6.380 -3.768 518 HB2 ALA 71 HB2 ALA 71 187.027 -5.222 -5.098 519 HB3 ALA 71 HB3 ALA 71 188.470 -5.515 -4.128 520 H LYS 72 H LYS 72 188.884 -7.177 -7.883 521 HA LYS 72 HA LYS 72 191.671 -7.329 -7.267 522 HB2 LYS 72 HB2 LYS 72 190.736 -8.384 -9.276 523 HB3 LYS 72 HB3 LYS 72 190.278 -6.804 -9.901 524 HG2 LYS 72 HG2 LYS 72 192.825 -6.285 -9.642 525 HG3 LYS 72 HG3 LYS 72 192.978 -8.042 -9.671 526 HD2 LYS 72 HD2 LYS 72 193.233 -7.139 -11.911 527 HD3 LYS 72 HD3 LYS 72 191.754 -8.097 -11.803 528 HE2 LYS 72 HE2 LYS 72 190.384 -6.243 -11.914 529 HE3 LYS 72 HE3 LYS 72 191.635 -5.155 -11.316 530 HZ1 LYS 72 HZ1 LYS 72 192.810 -5.549 -13.469 531 HZ2 LYS 72 HZ2 LYS 72 191.351 -4.705 -13.603 532 HZ3 LYS 72 HZ3 LYS 72 191.422 -6.343 -14.023 533 H LEU 73 H LEU 73 191.725 -5.381 -5.914 534 HA LEU 73 HA LEU 73 191.537 -2.828 -7.278 535 HB2 LEU 73 HB2 LEU 73 192.374 -3.474 -4.450 536 HB3 LEU 73 HB3 LEU 73 192.078 -1.867 -5.087 537 HG LEU 73 HG LEU 73 189.972 -4.020 -4.927 538 HD11 LEU 73 HD11 LEU 73 189.100 -2.733 -3.009 539 HD12 LEU 73 HD12 LEU 73 190.560 -1.744 -3.043 540 HD13 LEU 73 HD13 LEU 73 190.670 -3.468 -2.690 541 HD21 LEU 73 HD21 LEU 73 190.039 -1.702 -6.420 542 HD22 LEU 73 HD22 LEU 73 189.145 -1.233 -4.974 543 HD23 LEU 73 HD23 LEU 73 188.593 -2.594 -5.948 544 H LYS 74 H LYS 74 193.293 -1.292 -7.292 545 HA LYS 74 HA LYS 74 195.973 -2.448 -7.064 546 HB2 LYS 74 HB2 LYS 74 194.684 -1.407 -9.533 547 HB3 LYS 74 HB3 LYS 74 196.370 -0.984 -9.270 548 HG2 LYS 74 HG2 LYS 74 195.736 -3.819 -8.866 549 HG3 LYS 74 HG3 LYS 74 195.518 -3.230 -10.515 550 HD2 LYS 74 HD2 LYS 74 197.715 -3.301 -10.844 551 HD3 LYS 74 HD3 LYS 74 197.968 -2.186 -9.501 552 HE2 LYS 74 HE2 LYS 74 197.621 -5.164 -9.184 553 HE3 LYS 74 HE3 LYS 74 199.188 -4.359 -9.297 554 HZ1 LYS 74 HZ1 LYS 74 197.246 -4.355 -7.111 555 HZ2 LYS 74 HZ2 LYS 74 198.144 -2.942 -7.356 556 HZ3 LYS 74 HZ3 LYS 74 198.937 -4.405 -7.055 557 H LEU 75 H LEU 75 197.455 -1.095 -6.246 558 HA LEU 75 HA LEU 75 196.701 1.238 -4.935 559 HB2 LEU 75 HB2 LEU 75 198.869 -0.343 -4.857 560 HB3 LEU 75 HB3 LEU 75 199.529 0.982 -5.795 561 HG LEU 75 HG LEU 75 198.115 1.641 -3.260 562 HD11 LEU 75 HD11 LEU 75 200.833 0.364 -3.437 563 HD12 LEU 75 HD12 LEU 75 199.448 -0.155 -2.475 564 HD13 LEU 75 HD13 LEU 75 200.303 1.332 -2.062 565 HD21 LEU 75 HD21 LEU 75 199.490 3.516 -3.264 566 HD22 LEU 75 HD22 LEU 75 199.156 3.261 -4.976 567 HD23 LEU 75 HD23 LEU 75 200.699 2.749 -4.292 568 H GLY 76 H GLY 76 196.534 3.309 -5.473 569 HA2 GLY 76 HA2 GLY 76 197.341 5.232 -6.709 570 HA3 GLY 76 HA3 GLY 76 197.621 4.160 -8.073 571 H ASP 77 H ASP 77 195.075 2.769 -7.675 572 HA ASP 77 HA ASP 77 193.486 4.395 -9.331 573 HB2 ASP 77 HB2 ASP 77 193.571 1.834 -9.204 574 HB3 ASP 77 HB3 ASP 77 192.480 1.992 -7.836 575 H LYS 78 H LYS 78 191.210 4.975 -8.854 576 HA LYS 78 HA LYS 78 190.952 5.938 -6.077 577 HB2 LYS 78 HB2 LYS 78 191.170 7.570 -8.117 578 HB3 LYS 78 HB3 LYS 78 189.478 7.171 -8.381 579 HG2 LYS 78 HG2 LYS 78 188.782 8.257 -6.497 580 HG3 LYS 78 HG3 LYS 78 190.315 8.012 -5.657 581 HD2 LYS 78 HD2 LYS 78 191.033 9.588 -7.792 582 HD3 LYS 78 HD3 LYS 78 189.441 10.215 -7.362 583 HE2 LYS 78 HE2 LYS 78 190.565 11.437 -5.853 584 HE3 LYS 78 HE3 LYS 78 190.595 9.947 -4.913 585 HZ1 LYS 78 HZ1 LYS 78 192.723 10.507 -6.873 586 HZ2 LYS 78 HZ2 LYS 78 192.773 9.522 -5.499 587 HZ3 LYS 78 HZ3 LYS 78 192.783 11.206 -5.333 588 H ILE 79 H ILE 79 188.575 6.419 -5.539 589 HA ILE 79 HA ILE 79 186.864 4.245 -6.532 590 HB ILE 79 HB ILE 79 187.286 5.035 -3.664 591 HG12 ILE 79 HG12 ILE 79 187.368 2.261 -3.997 592 HG13 ILE 79 HG13 ILE 79 188.211 2.899 -5.403 593 HG21 ILE 79 HG21 ILE 79 184.943 4.776 -3.846 594 HG22 ILE 79 HG22 ILE 79 185.551 3.249 -3.205 595 HG23 ILE 79 HG23 ILE 79 185.108 3.376 -4.907 596 HD11 ILE 79 HD11 ILE 79 189.576 2.360 -3.323 597 HD12 ILE 79 HD12 ILE 79 188.871 3.821 -2.637 598 HD13 ILE 79 HD13 ILE 79 189.847 3.920 -4.101 599 H TYR 80 H TYR 80 184.706 4.645 -6.749 600 HA TYR 80 HA TYR 80 183.616 7.205 -5.867 601 HB2 TYR 80 HB2 TYR 80 183.691 6.304 -8.755 602 HB3 TYR 80 HB3 TYR 80 182.613 7.565 -8.161 603 HD1 TYR 80 HD1 TYR 80 184.005 9.354 -6.606 604 HD2 TYR 80 HD2 TYR 80 185.555 7.081 -9.851 605 HE1 TYR 80 HE1 TYR 80 185.782 11.025 -6.920 606 HE2 TYR 80 HE2 TYR 80 187.337 8.745 -10.173 607 HH TYR 80 HH TYR 80 187.295 11.801 -8.641 608 H PHE 81 H PHE 81 181.567 6.885 -5.051 609 HA PHE 81 HA PHE 81 179.874 4.845 -6.211 610 HB2 PHE 81 HB2 PHE 81 179.638 3.663 -3.964 611 HB3 PHE 81 HB3 PHE 81 181.095 3.348 -4.882 612 HD1 PHE 81 HD1 PHE 81 179.816 5.681 -2.285 613 HD2 PHE 81 HD2 PHE 81 183.113 3.428 -3.756 614 HE1 PHE 81 HE1 PHE 81 181.150 6.373 -0.338 615 HE2 PHE 81 HE2 PHE 81 184.454 4.117 -1.811 616 HZ PHE 81 HZ PHE 81 183.472 5.593 -0.100 617 H TRP 82 H TRP 82 178.049 4.347 -4.580 618 HA TRP 82 HA TRP 82 177.129 6.623 -3.044 619 HB2 TRP 82 HB2 TRP 82 175.009 6.858 -4.206 620 HB3 TRP 82 HB3 TRP 82 176.320 7.116 -5.350 621 HD1 TRP 82 HD1 TRP 82 176.720 5.181 -7.199 622 HE1 TRP 82 HE1 TRP 82 175.100 3.455 -8.202 623 HE3 TRP 82 HE3 TRP 82 173.037 5.383 -3.666 624 HZ2 TRP 82 HZ2 TRP 82 172.591 2.323 -7.577 625 HZ3 TRP 82 HZ3 TRP 82 171.057 3.950 -3.943 626 HH2 TRP 82 HH2 TRP 82 170.840 2.452 -5.858 627 H THR 83 H THR 83 176.030 5.890 -1.277 628 HA THR 83 HA THR 83 175.516 2.995 -1.219 629 HB THR 83 HB THR 83 175.197 3.671 1.343 630 HG1 THR 83 HG1 THR 83 176.680 5.336 1.837 631 HG21 THR 83 HG21 THR 83 177.984 3.577 0.247 632 HG22 THR 83 HG22 THR 83 176.944 2.154 0.311 633 HG23 THR 83 HG23 THR 83 177.387 2.990 1.799 634 H TYR 84 H TYR 84 173.564 2.179 -0.230 635 HA TYR 84 HA TYR 84 171.344 4.099 -0.205 636 HB2 TYR 84 HB2 TYR 84 171.498 2.873 -2.390 637 HB3 TYR 84 HB3 TYR 84 171.238 1.379 -1.503 638 HD1 TYR 84 HD1 TYR 84 169.561 4.631 -0.883 639 HD2 TYR 84 HD2 TYR 84 169.179 0.683 -2.422 640 HE1 TYR 84 HE1 TYR 84 167.133 4.953 -1.088 641 HE2 TYR 84 HE2 TYR 84 166.749 0.993 -2.631 642 HH TYR 84 HH TYR 84 165.255 3.887 -2.601 643 H VAL 85 H VAL 85 169.620 3.570 1.149 644 HA VAL 85 HA VAL 85 169.894 1.169 2.799 645 HB VAL 85 HB VAL 85 170.514 2.292 4.626 646 HG11 VAL 85 HG11 VAL 85 171.533 3.936 3.106 647 HG12 VAL 85 HG12 VAL 85 171.010 4.652 4.631 648 HG13 VAL 85 HG13 VAL 85 170.050 4.889 3.174 649 HG21 VAL 85 HG21 VAL 85 168.221 2.402 5.278 650 HG22 VAL 85 HG22 VAL 85 167.941 3.820 4.265 651 HG23 VAL 85 HG23 VAL 85 168.971 3.944 5.689 652 H ILE 86 H ILE 86 167.859 0.795 4.118 653 HA ILE 86 HA ILE 86 165.467 2.018 2.950 654 HB ILE 86 HB ILE 86 165.691 -0.971 3.240 655 HG12 ILE 86 HG12 ILE 86 167.204 -0.092 1.474 656 HG13 ILE 86 HG13 ILE 86 165.920 -1.128 0.857 657 HG21 ILE 86 HG21 ILE 86 163.561 0.925 2.498 658 HG22 ILE 86 HG22 ILE 86 163.457 -0.663 3.258 659 HG23 ILE 86 HG23 ILE 86 163.675 -0.533 1.512 660 HD11 ILE 86 HD11 ILE 86 166.591 1.504 0.096 661 HD12 ILE 86 HD12 ILE 86 164.976 1.524 0.801 662 HD13 ILE 86 HD13 ILE 86 165.337 0.447 -0.548 663 H LYS 87 H LYS 87 164.569 2.883 4.700 664 HA LYS 87 HA LYS 87 164.493 1.324 7.187 665 HB2 LYS 87 HB2 LYS 87 165.401 3.747 7.062 666 HB3 LYS 87 HB3 LYS 87 163.710 4.217 6.947 667 HG2 LYS 87 HG2 LYS 87 164.214 2.363 9.129 668 HG3 LYS 87 HG3 LYS 87 165.143 3.856 9.264 669 HD2 LYS 87 HD2 LYS 87 163.324 5.068 9.750 670 HD3 LYS 87 HD3 LYS 87 162.369 4.300 8.482 671 HE2 LYS 87 HE2 LYS 87 162.681 2.308 10.380 672 HE3 LYS 87 HE3 LYS 87 162.444 3.771 11.337 673 HZ1 LYS 87 HZ1 LYS 87 160.296 3.147 10.985 674 HZ2 LYS 87 HZ2 LYS 87 160.607 2.447 9.478 675 HZ3 LYS 87 HZ3 LYS 87 160.513 4.128 9.623 676 H ASP 88 H ASP 88 162.810 0.115 5.751 677 HA ASP 88 HA ASP 88 160.646 -0.577 5.603 678 HB2 ASP 88 HB2 ASP 88 160.563 0.211 8.011 679 HB3 ASP 88 HB3 ASP 88 159.899 1.727 7.410 680 H GLY 89 H GLY 89 161.201 0.428 3.398 681 HA2 GLY 89 HA2 GLY 89 160.301 1.412 1.522 682 HA3 GLY 89 HA3 GLY 89 158.892 1.824 2.487 683 H LEU 90 H LEU 90 162.098 2.823 3.415 684 HA LEU 90 HA LEU 90 161.687 5.506 2.329 685 HB2 LEU 90 HB2 LEU 90 162.449 5.210 5.212 686 HB3 LEU 90 HB3 LEU 90 161.829 6.623 4.376 687 HG LEU 90 HG LEU 90 160.189 4.151 4.859 688 HD11 LEU 90 HD11 LEU 90 159.307 5.082 6.809 689 HD12 LEU 90 HD12 LEU 90 159.961 6.681 6.455 690 HD13 LEU 90 HD13 LEU 90 161.039 5.378 6.953 691 HD21 LEU 90 HD21 LEU 90 158.996 6.829 4.510 692 HD22 LEU 90 HD22 LEU 90 158.457 5.256 3.921 693 HD23 LEU 90 HD23 LEU 90 159.756 6.113 3.088 694 H GLY 91 H GLY 91 163.414 4.558 1.017 695 HA2 GLY 91 HA2 GLY 91 165.927 4.054 2.233 696 HA3 GLY 91 HA3 GLY 91 165.604 4.073 0.517 697 H TYR 92 H TYR 92 167.908 5.039 1.598 698 HA TYR 92 HA TYR 92 167.878 7.783 0.655 699 HB2 TYR 92 HB2 TYR 92 168.746 7.052 3.460 700 HB3 TYR 92 HB3 TYR 92 169.194 8.558 2.668 701 HD1 TYR 92 HD1 TYR 92 166.350 6.599 3.981 702 HD2 TYR 92 HD2 TYR 92 167.665 10.375 2.527 703 HE1 TYR 92 HE1 TYR 92 164.251 7.620 4.754 704 HE2 TYR 92 HE2 TYR 92 165.569 11.407 3.297 705 HH TYR 92 HH TYR 92 163.806 10.959 4.982 706 H ARG 93 H ARG 93 170.005 8.452 -0.077 707 HA ARG 93 HA ARG 93 172.023 6.344 0.120 708 HB2 ARG 93 HB2 ARG 93 172.577 6.576 -2.228 709 HB3 ARG 93 HB3 ARG 93 170.884 6.119 -2.027 710 HG2 ARG 93 HG2 ARG 93 170.541 8.740 -2.153 711 HG3 ARG 93 HG3 ARG 93 172.062 8.642 -3.041 712 HD2 ARG 93 HD2 ARG 93 170.724 8.272 -4.810 713 HD3 ARG 93 HD3 ARG 93 170.684 6.623 -4.192 714 HE ARG 93 HE ARG 93 168.488 6.926 -3.613 715 HH11 ARG 93 HH11 ARG 93 169.921 10.033 -4.297 716 HH12 ARG 93 HH12 ARG 93 168.414 10.882 -4.239 717 HH21 ARG 93 HH21 ARG 93 166.503 8.041 -3.536 718 HH22 ARG 93 HH22 ARG 93 166.473 9.752 -3.804 719 H GLN 94 H GLN 94 174.104 6.920 0.141 720 HA GLN 94 HA GLN 94 174.668 9.791 0.370 721 HB2 GLN 94 HB2 GLN 94 175.308 8.501 2.348 722 HB3 GLN 94 HB3 GLN 94 176.240 7.395 1.351 723 HG2 GLN 94 HG2 GLN 94 177.308 9.838 0.709 724 HG3 GLN 94 HG3 GLN 94 176.958 9.994 2.428 725 HE21 GLN 94 HE21 GLN 94 179.442 10.179 2.134 726 HE22 GLN 94 HE22 GLN 94 180.317 8.711 2.395 727 H ASP 95 H ASP 95 174.529 9.863 -1.956 728 HA ASP 95 HA ASP 95 176.403 8.417 -3.560 729 HB2 ASP 95 HB2 ASP 95 175.572 9.867 -5.401 730 HB3 ASP 95 HB3 ASP 95 174.278 9.057 -4.522 731 H ASN 96 H ASN 96 177.588 9.939 -5.282 732 HA ASN 96 HA ASN 96 179.384 11.263 -5.681 733 HB2 ASN 96 HB2 ASN 96 177.864 13.080 -5.057 734 HB3 ASN 96 HB3 ASN 96 178.268 12.847 -3.362 735 HD21 ASN 96 HD21 ASN 96 178.978 14.981 -3.190 736 HD22 ASN 96 HD22 ASN 96 180.486 15.498 -3.857 737 H GLY 97 H GLY 97 179.306 9.100 -3.451 738 HA2 GLY 97 HA2 GLY 97 181.260 9.877 -1.537 739 HA3 GLY 97 HA3 GLY 97 180.773 8.229 -1.901 740 H GLU 98 H GLU 98 183.388 8.890 -1.319 741 HA GLU 98 HA GLU 98 184.674 7.976 -3.742 742 HB2 GLU 98 HB2 GLU 98 184.764 10.388 -4.056 743 HB3 GLU 98 HB3 GLU 98 185.461 10.598 -2.456 744 HG2 GLU 98 HG2 GLU 98 186.915 8.831 -4.324 745 HG3 GLU 98 HG3 GLU 98 186.914 10.554 -4.686 746 H TRP 99 H TRP 99 186.767 7.113 -3.396 747 HA TRP 99 HA TRP 99 187.888 7.076 -0.745 748 HB2 TRP 99 HB2 TRP 99 186.172 5.344 -0.542 749 HB3 TRP 99 HB3 TRP 99 186.802 4.530 -1.965 750 HD1 TRP 99 HD1 TRP 99 188.648 5.788 1.219 751 HE1 TRP 99 HE1 TRP 99 190.021 3.816 2.144 752 HE3 TRP 99 HE3 TRP 99 187.208 2.175 -2.091 753 HZ2 TRP 99 HZ2 TRP 99 190.432 1.095 1.544 754 HZ3 TRP 99 HZ3 TRP 99 188.131 -0.090 -1.845 755 HH2 TRP 99 HH2 TRP 99 189.708 -0.620 -0.065 756 H THR 100 H THR 100 189.966 5.771 -0.727 757 HA THR 100 HA THR 100 191.282 6.071 -3.342 758 HB THR 100 HB THR 100 192.025 7.424 -1.320 759 HG1 THR 100 HG1 THR 100 193.374 7.074 -3.135 760 HG21 THR 100 HG21 THR 100 193.837 5.481 -0.288 761 HG22 THR 100 HG22 THR 100 192.188 4.878 -0.099 762 HG23 THR 100 HG23 THR 100 192.639 6.447 0.572 763 H VAL 101 H VAL 101 192.996 4.624 -3.913 764 HA VAL 101 HA VAL 101 192.718 1.923 -2.756 765 HB VAL 101 HB VAL 101 193.615 2.356 -5.590 766 HG11 VAL 101 HG11 VAL 101 192.051 0.035 -4.542 767 HG12 VAL 101 HG12 VAL 101 193.769 0.170 -4.171 768 HG13 VAL 101 HG13 VAL 101 193.233 0.095 -5.849 769 HG21 VAL 101 HG21 VAL 101 191.377 3.464 -5.221 770 HG22 VAL 101 HG22 VAL 101 190.745 1.876 -4.793 771 HG23 VAL 101 HG23 VAL 101 191.381 2.162 -6.408 772 H THR 102 H THR 102 194.764 4.530 -3.185 773 HA THR 102 HA THR 102 197.227 3.287 -3.752 774 HB THR 102 HB THR 102 197.071 5.634 -4.054 775 HG1 THR 102 HG1 THR 102 199.026 5.825 -3.368 776 HG21 THR 102 HG21 THR 102 195.660 5.612 -1.563 777 HG22 THR 102 HG22 THR 102 195.767 6.881 -2.783 778 HG23 THR 102 HG23 THR 102 196.984 6.775 -1.510 779 H GLU 103 H GLU 103 195.297 2.991 -1.023 780 HA GLU 103 HA GLU 103 197.599 1.998 0.504 781 HB2 GLU 103 HB2 GLU 103 196.024 4.261 1.178 782 HB3 GLU 103 HB3 GLU 103 195.619 2.985 2.319 783 HG2 GLU 103 HG2 GLU 103 197.940 2.743 2.932 784 HG3 GLU 103 HG3 GLU 103 198.411 3.931 1.718 785 H PHE 104 H PHE 104 197.300 0.089 1.532 786 HA PHE 104 HA PHE 104 194.585 -1.058 1.466 787 HB2 PHE 104 HB2 PHE 104 197.216 -2.506 1.061 788 HB3 PHE 104 HB3 PHE 104 195.630 -3.265 1.105 789 HD1 PHE 104 HD1 PHE 104 197.364 -0.497 -0.710 790 HD2 PHE 104 HD2 PHE 104 194.678 -3.792 -0.906 791 HE1 PHE 104 HE1 PHE 104 197.157 -0.180 -3.142 792 HE2 PHE 104 HE2 PHE 104 194.466 -3.480 -3.339 793 HZ PHE 104 HZ PHE 104 195.708 -1.674 -4.462 794 H VAL 105 H VAL 105 194.115 -2.566 3.207 795 HA VAL 105 HA VAL 105 195.782 -2.020 5.567 796 HB VAL 105 HB VAL 105 193.887 -2.298 6.984 797 HG11 VAL 105 HG11 VAL 105 194.167 -0.141 5.701 798 HG12 VAL 105 HG12 VAL 105 192.557 -0.444 6.356 799 HG13 VAL 105 HG13 VAL 105 192.875 -0.700 4.640 800 HG21 VAL 105 HG21 VAL 105 191.597 -2.710 5.877 801 HG22 VAL 105 HG22 VAL 105 192.671 -4.093 6.091 802 HG23 VAL 105 HG23 VAL 105 192.523 -3.329 4.508 803 H ASN 106 H ASN 106 196.165 -3.669 7.052 804 HA ASN 106 HA ASN 106 196.599 -6.250 5.849 805 HB2 ASN 106 HB2 ASN 106 197.526 -4.775 8.216 806 HB3 ASN 106 HB3 ASN 106 197.378 -6.514 8.444 807 HD21 ASN 106 HD21 ASN 106 199.607 -4.397 7.989 808 HD22 ASN 106 HD22 ASN 106 200.662 -5.195 6.880 809 H GLU 107 H GLU 107 195.916 -8.245 6.713 810 HA GLU 107 HA GLU 107 193.209 -8.411 7.385 811 HB2 GLU 107 HB2 GLU 107 195.110 -10.226 6.688 812 HB3 GLU 107 HB3 GLU 107 194.957 -10.572 8.406 813 HG2 GLU 107 HG2 GLU 107 192.471 -10.755 8.021 814 HG3 GLU 107 HG3 GLU 107 192.826 -10.711 6.295 815 H ASP 108 H ASP 108 195.937 -7.543 9.208 816 HA ASP 108 HA ASP 108 195.003 -8.304 11.803 817 HB2 ASP 108 HB2 ASP 108 197.214 -6.614 10.725 818 HB3 ASP 108 HB3 ASP 108 196.736 -6.370 12.402 819 H GLY 109 H GLY 109 194.585 -5.542 9.686 820 HA2 GLY 109 HA2 GLY 109 192.466 -4.329 10.041 821 HA3 GLY 109 HA3 GLY 109 192.842 -4.343 11.754 822 H THR 110 H THR 110 195.501 -3.770 9.633 823 HA THR 110 HA THR 110 195.144 -0.881 9.793 824 HB THR 110 HB THR 110 197.098 -0.387 10.929 825 HG1 THR 110 HG1 THR 110 197.887 -3.035 10.342 826 HG21 THR 110 HG21 THR 110 195.360 -1.584 12.378 827 HG22 THR 110 HG22 THR 110 196.992 -1.386 13.020 828 HG23 THR 110 HG23 THR 110 196.486 -2.941 12.360 829 HA PRO 111 HA PRO 111 196.846 -0.357 5.862 830 HB2 PRO 111 HB2 PRO 111 199.130 1.094 7.141 831 HB3 PRO 111 HB3 PRO 111 198.129 1.571 5.763 832 HG2 PRO 111 HG2 PRO 111 197.713 2.633 8.171 833 HG3 PRO 111 HG3 PRO 111 196.352 2.222 7.111 834 HD2 PRO 111 HD2 PRO 111 197.328 0.838 9.555 835 HD3 PRO 111 HD3 PRO 111 195.688 0.950 8.913 836 H ALA 112 H ALA 112 197.844 -1.761 4.639 837 HA ALA 112 HA ALA 112 199.990 -3.379 5.736 838 HB1 ALA 112 HB1 ALA 112 199.293 -5.033 4.382 839 HB2 ALA 112 HB2 ALA 112 199.047 -3.945 3.015 840 HB3 ALA 112 HB3 ALA 112 197.822 -4.062 4.278 841 H ASP 113 H ASP 113 201.791 -2.079 5.648 842 HA ASP 113 HA ASP 113 202.537 -0.587 3.340 843 HB2 ASP 113 HB2 ASP 113 203.316 -0.535 5.936 844 HB3 ASP 113 HB3 ASP 113 204.667 -1.413 5.223 845 H THR 114 H THR 114 205.140 -1.110 2.826 846 HA THR 114 HA THR 114 204.997 -3.313 1.059 847 HB THR 114 HB THR 114 207.461 -2.876 0.747 848 HG1 THR 114 HG1 THR 114 207.972 -2.078 2.777 849 HG21 THR 114 HG21 THR 114 206.279 -0.188 0.599 850 HG22 THR 114 HG22 THR 114 205.409 -1.468 -0.249 851 HG23 THR 114 HG23 THR 114 207.100 -1.147 -0.634 852 H SER 115 H SER 115 206.296 -2.904 4.288 853 HA SER 115 HA SER 115 207.078 -4.383 5.827 854 HB2 SER 115 HB2 SER 115 204.976 -5.589 5.270 855 HB3 SER 115 HB3 SER 115 205.849 -6.487 4.030 856 HG SER 115 HG SER 115 205.635 -7.092 6.569 857 H LEU 116 H LEU 116 208.400 -6.600 5.946 858 HA LEU 116 HA LEU 116 210.330 -6.682 3.736 859 HB2 LEU 116 HB2 LEU 116 212.180 -6.797 5.392 860 HB3 LEU 116 HB3 LEU 116 211.366 -5.245 5.336 861 HG LEU 116 HG LEU 116 210.027 -6.681 7.330 862 HD11 LEU 116 HD11 LEU 116 212.855 -7.462 7.143 863 HD12 LEU 116 HD12 LEU 116 211.498 -8.274 7.925 864 HD13 LEU 116 HD13 LEU 116 212.316 -6.943 8.740 865 HD21 LEU 116 HD21 LEU 116 210.482 -4.843 8.562 866 HD22 LEU 116 HD22 LEU 116 211.003 -4.204 7.003 867 HD23 LEU 116 HD23 LEU 116 212.194 -4.844 8.136 868 H GLU 117 H GLU 117 209.165 -8.648 3.229 869 HA GLU 117 HA GLU 117 209.372 -10.849 5.108 870 HB2 GLU 117 HB2 GLU 117 207.449 -10.284 3.373 871 HB3 GLU 117 HB3 GLU 117 208.460 -11.238 2.296 872 HG2 GLU 117 HG2 GLU 117 208.384 -12.859 4.447 873 HG3 GLU 117 HG3 GLU 117 206.814 -12.069 4.583 874 HA PRO 118 HA PRO 118 213.340 -11.987 3.340 875 HB2 PRO 118 HB2 PRO 118 213.751 -14.193 4.862 876 HB3 PRO 118 HB3 PRO 118 213.985 -12.551 5.474 877 HG2 PRO 118 HG2 PRO 118 211.647 -14.388 5.828 878 HG3 PRO 118 HG3 PRO 118 212.446 -13.352 7.025 879 HD2 PRO 118 HD2 PRO 118 210.132 -12.653 5.804 880 HD3 PRO 118 HD3 PRO 118 211.344 -11.458 6.306 Start of MODEL 8 1 H GLN 6 H GLN 6 161.381 12.304 7.454 2 HA GLN 6 HA GLN 6 162.876 10.560 6.950 3 HB2 GLN 6 HB2 GLN 6 163.007 13.092 5.328 4 HB3 GLN 6 HB3 GLN 6 163.797 11.622 4.774 5 HG2 GLN 6 HG2 GLN 6 161.865 10.647 4.195 6 HG3 GLN 6 HG3 GLN 6 161.000 11.288 5.591 7 HE21 GLN 6 HE21 GLN 6 162.430 12.320 2.518 8 HE22 GLN 6 HE22 GLN 6 161.212 13.485 2.142 9 H TYR 7 H TYR 7 164.629 9.859 8.021 10 HA TYR 7 HA TYR 7 166.786 11.452 8.856 11 HB2 TYR 7 HB2 TYR 7 166.263 9.309 9.879 12 HB3 TYR 7 HB3 TYR 7 166.674 8.460 8.402 13 HD1 TYR 7 HD1 TYR 7 168.199 10.859 10.835 14 HD2 TYR 7 HD2 TYR 7 168.765 7.487 8.302 15 HE1 TYR 7 HE1 TYR 7 170.509 10.643 11.649 16 HE2 TYR 7 HE2 TYR 7 171.076 7.260 9.111 17 HH TYR 7 HH TYR 7 172.219 8.666 11.832 18 H VAL 8 H VAL 8 169.088 10.933 8.197 19 HA VAL 8 HA VAL 8 169.253 11.151 5.269 20 HB VAL 8 HB VAL 8 171.418 11.910 7.219 21 HG11 VAL 8 HG11 VAL 8 172.329 11.712 5.076 22 HG12 VAL 8 HG12 VAL 8 171.994 13.435 5.245 23 HG13 VAL 8 HG13 VAL 8 170.905 12.413 4.307 24 HG21 VAL 8 HG21 VAL 8 170.641 14.159 7.212 25 HG22 VAL 8 HG22 VAL 8 169.264 13.143 7.639 26 HG23 VAL 8 HG23 VAL 8 169.405 13.795 6.006 27 H VAL 9 H VAL 9 171.070 10.180 4.172 28 HA VAL 9 HA VAL 9 171.449 7.468 4.892 29 HB VAL 9 HB VAL 9 171.438 8.235 2.555 30 HG11 VAL 9 HG11 VAL 9 172.944 10.287 3.299 31 HG12 VAL 9 HG12 VAL 9 172.955 9.674 1.648 32 HG13 VAL 9 HG13 VAL 9 174.235 9.210 2.767 33 HG21 VAL 9 HG21 VAL 9 173.089 6.747 1.765 34 HG22 VAL 9 HG22 VAL 9 172.605 6.123 3.341 35 HG23 VAL 9 HG23 VAL 9 174.117 7.015 3.172 36 HA PRO 10 HA PRO 10 175.000 7.879 7.552 37 HB2 PRO 10 HB2 PRO 10 175.666 5.102 6.922 38 HB3 PRO 10 HB3 PRO 10 175.131 5.800 8.450 39 HG2 PRO 10 HG2 PRO 10 173.571 4.156 6.979 40 HG3 PRO 10 HG3 PRO 10 172.909 5.462 7.980 41 HD2 PRO 10 HD2 PRO 10 173.357 5.383 5.019 42 HD3 PRO 10 HD3 PRO 10 171.988 6.045 5.936 43 H SER 11 H SER 11 177.411 7.026 7.482 44 HA SER 11 HA SER 11 178.427 7.725 4.826 45 HB2 SER 11 HB2 SER 11 179.058 9.091 6.891 46 HB3 SER 11 HB3 SER 11 180.032 7.704 7.373 47 HG SER 11 HG SER 11 180.943 9.544 5.968 48 H ALA 12 H ALA 12 179.245 6.202 3.588 49 HA ALA 12 HA ALA 12 179.786 3.581 4.667 50 HB1 ALA 12 HB1 ALA 12 180.551 3.865 1.912 51 HB2 ALA 12 HB2 ALA 12 178.962 4.577 2.188 52 HB3 ALA 12 HB3 ALA 12 179.262 2.894 2.623 53 H LYS 13 H LYS 13 181.651 3.244 5.676 54 HA LYS 13 HA LYS 13 184.062 4.652 4.839 55 HB2 LYS 13 HB2 LYS 13 183.240 3.068 7.227 56 HB3 LYS 13 HB3 LYS 13 184.953 3.128 6.837 57 HG2 LYS 13 HG2 LYS 13 183.680 5.744 6.768 58 HG3 LYS 13 HG3 LYS 13 183.572 4.958 8.343 59 HD2 LYS 13 HD2 LYS 13 186.166 4.472 7.664 60 HD3 LYS 13 HD3 LYS 13 185.899 6.058 6.936 61 HE2 LYS 13 HE2 LYS 13 185.381 5.320 9.816 62 HE3 LYS 13 HE3 LYS 13 186.754 6.251 9.219 63 HZ1 LYS 13 HZ1 LYS 13 185.449 8.071 8.791 64 HZ2 LYS 13 HZ2 LYS 13 184.683 7.457 10.168 65 HZ3 LYS 13 HZ3 LYS 13 184.025 7.172 8.636 66 H LEU 14 H LEU 14 185.649 3.762 3.643 67 HA LEU 14 HA LEU 14 185.523 0.856 3.165 68 HB2 LEU 14 HB2 LEU 14 186.013 3.119 1.259 69 HB3 LEU 14 HB3 LEU 14 186.578 1.497 0.901 70 HG LEU 14 HG LEU 14 184.073 0.847 1.373 71 HD11 LEU 14 HD11 LEU 14 183.693 3.651 0.372 72 HD12 LEU 14 HD12 LEU 14 183.580 3.235 2.081 73 HD13 LEU 14 HD13 LEU 14 182.472 2.504 0.921 74 HD21 LEU 14 HD21 LEU 14 183.701 0.822 -0.930 75 HD22 LEU 14 HD22 LEU 14 185.458 0.783 -0.787 76 HD23 LEU 14 HD23 LEU 14 184.640 2.291 -1.194 77 H GLU 15 H GLU 15 187.494 -0.215 2.688 78 HA GLU 15 HA GLU 15 189.989 1.186 3.215 79 HB2 GLU 15 HB2 GLU 15 188.807 -0.917 4.989 80 HB3 GLU 15 HB3 GLU 15 190.551 -0.836 4.795 81 HG2 GLU 15 HG2 GLU 15 190.543 0.641 6.446 82 HG3 GLU 15 HG3 GLU 15 189.845 1.780 5.295 83 H ALA 16 H ALA 16 191.791 0.164 2.269 84 HA ALA 16 HA ALA 16 191.094 -1.845 0.286 85 HB1 ALA 16 HB1 ALA 16 192.851 -1.102 -0.901 86 HB2 ALA 16 HB2 ALA 16 193.907 -1.031 0.508 87 HB3 ALA 16 HB3 ALA 16 192.769 0.277 0.195 88 H ILE 17 H ILE 17 191.541 -3.948 0.377 89 HA ILE 17 HA ILE 17 193.141 -4.921 2.647 90 HB ILE 17 HB ILE 17 191.209 -6.608 1.073 91 HG12 ILE 17 HG12 ILE 17 190.008 -4.617 1.946 92 HG13 ILE 17 HG13 ILE 17 189.482 -6.112 2.710 93 HG21 ILE 17 HG21 ILE 17 192.814 -6.889 3.528 94 HG22 ILE 17 HG22 ILE 17 192.295 -8.104 2.360 95 HG23 ILE 17 HG23 ILE 17 191.176 -7.537 3.600 96 HD11 ILE 17 HD11 ILE 17 190.796 -3.765 3.860 97 HD12 ILE 17 HD12 ILE 17 191.425 -5.316 4.418 98 HD13 ILE 17 HD13 ILE 17 189.710 -4.942 4.600 99 H TYR 18 H TYR 18 194.894 -6.166 2.312 100 HA TYR 18 HA TYR 18 195.684 -6.651 -0.466 101 HB2 TYR 18 HB2 TYR 18 197.088 -5.608 1.652 102 HB3 TYR 18 HB3 TYR 18 197.630 -7.283 1.645 103 HD1 TYR 18 HD1 TYR 18 196.903 -4.691 -0.961 104 HD2 TYR 18 HD2 TYR 18 199.625 -7.591 0.549 105 HE1 TYR 18 HE1 TYR 18 198.462 -4.172 -2.792 106 HE2 TYR 18 HE2 TYR 18 201.192 -7.081 -1.276 107 HH TYR 18 HH TYR 18 200.797 -4.362 -3.333 108 HA PRO 19 HA PRO 19 196.996 -7.755 -1.551 109 HB2 PRO 19 HB2 PRO 19 197.237 -9.726 -3.333 110 HB3 PRO 19 HB3 PRO 19 198.272 -9.660 -1.901 111 HG2 PRO 19 HG2 PRO 19 195.942 -11.413 -2.474 112 HG3 PRO 19 HG3 PRO 19 197.400 -11.753 -1.530 113 HD2 PRO 19 HD2 PRO 19 194.862 -10.997 -0.530 114 HD3 PRO 19 HD3 PRO 19 196.373 -11.115 0.386 115 H ARG 20 H ARG 20 193.949 -9.219 -1.356 116 HA ARG 20 HA ARG 20 192.908 -7.535 -3.398 117 HB2 ARG 20 HB2 ARG 20 191.831 -9.369 -4.686 118 HB3 ARG 20 HB3 ARG 20 193.585 -9.362 -4.816 119 HG2 ARG 20 HG2 ARG 20 193.532 -11.083 -2.912 120 HG3 ARG 20 HG3 ARG 20 191.821 -11.255 -3.312 121 HD2 ARG 20 HD2 ARG 20 192.757 -12.893 -4.627 122 HD3 ARG 20 HD3 ARG 20 192.716 -11.533 -5.748 123 HE ARG 20 HE ARG 20 195.177 -11.666 -4.309 124 HH11 ARG 20 HH11 ARG 20 193.434 -13.021 -7.013 125 HH12 ARG 20 HH12 ARG 20 194.869 -13.471 -7.872 126 HH21 ARG 20 HH21 ARG 20 197.063 -12.258 -5.437 127 HH22 ARG 20 HH22 ARG 20 196.931 -13.039 -6.977 128 H GLY 21 H GLY 21 191.623 -6.639 -1.820 129 HA2 GLY 21 HA2 GLY 21 189.174 -7.979 -1.274 130 HA3 GLY 21 HA3 GLY 21 190.181 -7.922 0.153 131 H LEU 22 H LEU 22 187.723 -6.717 0.152 132 HA LEU 22 HA LEU 22 188.486 -3.934 0.541 133 HB2 LEU 22 HB2 LEU 22 187.251 -4.588 -1.784 134 HB3 LEU 22 HB3 LEU 22 185.861 -4.272 -0.765 135 HG LEU 22 HG LEU 22 186.621 -2.312 -2.106 136 HD11 LEU 22 HD11 LEU 22 187.044 -1.074 0.390 137 HD12 LEU 22 HD12 LEU 22 185.952 -2.431 0.669 138 HD13 LEU 22 HD13 LEU 22 185.540 -1.200 -0.524 139 HD21 LEU 22 HD21 LEU 22 188.831 -1.711 -0.284 140 HD22 LEU 22 HD22 LEU 22 188.703 -1.490 -2.028 141 HD23 LEU 22 HD23 LEU 22 189.137 -3.067 -1.369 142 H ARG 23 H ARG 23 187.490 -3.007 2.264 143 HA ARG 23 HA ARG 23 185.347 -4.556 3.565 144 HB2 ARG 23 HB2 ARG 23 187.906 -3.963 4.563 145 HB3 ARG 23 HB3 ARG 23 186.809 -2.888 5.419 146 HG2 ARG 23 HG2 ARG 23 185.509 -4.740 6.204 147 HG3 ARG 23 HG3 ARG 23 186.432 -5.867 5.209 148 HD2 ARG 23 HD2 ARG 23 188.066 -4.233 7.008 149 HD3 ARG 23 HD3 ARG 23 186.935 -5.304 7.834 150 HE ARG 23 HE ARG 23 188.456 -6.593 5.760 151 HH11 ARG 23 HH11 ARG 23 188.407 -5.673 9.128 152 HH12 ARG 23 HH12 ARG 23 189.535 -6.897 9.606 153 HH21 ARG 23 HH21 ARG 23 189.940 -8.201 6.390 154 HH22 ARG 23 HH22 ARG 23 190.406 -8.332 8.053 155 H VAL 24 H VAL 24 183.480 -3.495 3.723 156 HA VAL 24 HA VAL 24 183.550 -0.549 3.765 157 HB VAL 24 HB VAL 24 181.369 -2.252 2.562 158 HG11 VAL 24 HG11 VAL 24 181.860 0.724 2.526 159 HG12 VAL 24 HG12 VAL 24 180.556 -0.120 3.362 160 HG13 VAL 24 HG13 VAL 24 180.611 -0.108 1.598 161 HG21 VAL 24 HG21 VAL 24 182.420 -0.931 0.465 162 HG22 VAL 24 HG22 VAL 24 182.906 -2.559 0.935 163 HG23 VAL 24 HG23 VAL 24 183.872 -1.172 1.435 164 H SER 25 H SER 25 181.939 0.526 4.981 165 HA SER 25 HA SER 25 180.143 -0.995 6.657 166 HB2 SER 25 HB2 SER 25 181.843 0.811 8.268 167 HB3 SER 25 HB3 SER 25 181.161 -0.764 8.677 168 HG SER 25 HG SER 25 183.426 -0.278 7.034 169 H ILE 26 H ILE 26 178.471 0.238 7.496 170 HA ILE 26 HA ILE 26 178.528 3.143 7.014 171 HB ILE 26 HB ILE 26 176.180 2.986 6.120 172 HG12 ILE 26 HG12 ILE 26 176.474 0.326 5.042 173 HG13 ILE 26 HG13 ILE 26 176.517 0.278 6.799 174 HG21 ILE 26 HG21 ILE 26 176.972 2.162 3.830 175 HG22 ILE 26 HG22 ILE 26 178.536 1.919 4.605 176 HG23 ILE 26 HG23 ILE 26 177.820 3.529 4.551 177 HD11 ILE 26 HD11 ILE 26 174.376 1.217 6.978 178 HD12 ILE 26 HD12 ILE 26 174.257 0.017 5.693 179 HD13 ILE 26 HD13 ILE 26 174.371 1.730 5.292 180 HA PRO 27 HA PRO 27 176.875 3.114 11.182 181 HB2 PRO 27 HB2 PRO 27 175.801 5.753 10.328 182 HB3 PRO 27 HB3 PRO 27 176.769 5.338 11.745 183 HG2 PRO 27 HG2 PRO 27 177.854 6.612 9.669 184 HG3 PRO 27 HG3 PRO 27 178.760 5.379 10.566 185 HD2 PRO 27 HD2 PRO 27 177.447 5.199 7.891 186 HD3 PRO 27 HD3 PRO 27 178.950 4.451 8.468 187 H ASP 28 H ASP 28 175.195 1.702 11.288 188 HA ASP 28 HA ASP 28 172.799 2.022 9.754 189 HB2 ASP 28 HB2 ASP 28 173.627 -0.205 10.392 190 HB3 ASP 28 HB3 ASP 28 173.386 0.191 12.089 191 H ASP 29 H ASP 29 170.772 2.609 10.439 192 HA ASP 29 HA ASP 29 170.522 3.712 13.147 193 HB2 ASP 29 HB2 ASP 29 169.484 5.076 10.652 194 HB3 ASP 29 HB3 ASP 29 169.342 5.665 12.304 195 H GLY 30 H GLY 30 169.692 1.220 12.464 196 HA2 GLY 30 HA2 GLY 30 167.866 -0.114 12.802 197 HA3 GLY 30 HA3 GLY 30 166.932 1.342 13.056 198 H PHE 31 H PHE 31 168.774 0.490 10.168 199 HA PHE 31 HA PHE 31 166.435 0.957 8.538 200 HB2 PHE 31 HB2 PHE 31 169.122 -0.045 7.597 201 HB3 PHE 31 HB3 PHE 31 167.880 0.746 6.638 202 HD1 PHE 31 HD1 PHE 31 167.160 3.068 8.158 203 HD2 PHE 31 HD2 PHE 31 170.991 1.292 7.644 204 HE1 PHE 31 HE1 PHE 31 168.221 5.248 8.577 205 HE2 PHE 31 HE2 PHE 31 172.060 3.466 8.063 206 HZ PHE 31 HZ PHE 31 170.676 5.447 8.528 207 H SER 32 H SER 32 166.646 -0.731 6.492 208 HA SER 32 HA SER 32 166.373 -3.427 7.599 209 HB2 SER 32 HB2 SER 32 164.168 -2.048 7.062 210 HB3 SER 32 HB3 SER 32 164.525 -2.567 5.416 211 HG SER 32 HG SER 32 163.860 -4.486 5.923 212 H LEU 33 H LEU 33 167.200 -1.326 4.900 213 HA LEU 33 HA LEU 33 168.610 -3.639 3.744 214 HB2 LEU 33 HB2 LEU 33 166.343 -3.136 2.570 215 HB3 LEU 33 HB3 LEU 33 167.200 -1.771 1.900 216 HG LEU 33 HG LEU 33 168.946 -3.385 1.065 217 HD11 LEU 33 HD11 LEU 33 168.695 -5.627 1.192 218 HD12 LEU 33 HD12 LEU 33 166.933 -5.547 1.163 219 HD13 LEU 33 HD13 LEU 33 167.807 -5.201 2.655 220 HD21 LEU 33 HD21 LEU 33 167.903 -3.496 -0.939 221 HD22 LEU 33 HD22 LEU 33 166.776 -2.402 -0.135 222 HD23 LEU 33 HD23 LEU 33 166.402 -4.121 -0.253 223 H PHE 34 H PHE 34 170.551 -3.228 2.947 224 HA PHE 34 HA PHE 34 171.381 -0.430 2.631 225 HB2 PHE 34 HB2 PHE 34 172.405 -1.251 4.629 226 HB3 PHE 34 HB3 PHE 34 172.880 -2.745 3.844 227 HD1 PHE 34 HD1 PHE 34 173.244 0.811 2.794 228 HD2 PHE 34 HD2 PHE 34 175.181 -2.840 3.808 229 HE1 PHE 34 HE1 PHE 34 175.412 1.794 2.178 230 HE2 PHE 34 HE2 PHE 34 177.354 -1.862 3.198 231 HZ PHE 34 HZ PHE 34 177.471 0.459 2.380 232 H ALA 35 H ALA 35 171.456 -0.199 0.447 233 HA ALA 35 HA ALA 35 172.644 -2.341 -1.164 234 HB1 ALA 35 HB1 ALA 35 171.170 -1.797 -2.738 235 HB2 ALA 35 HB2 ALA 35 171.668 -0.105 -2.703 236 HB3 ALA 35 HB3 ALA 35 170.438 -0.685 -1.580 237 H PHE 36 H PHE 36 174.644 -2.174 -1.937 238 HA PHE 36 HA PHE 36 175.968 0.454 -1.813 239 HB2 PHE 36 HB2 PHE 36 176.886 -1.230 -0.270 240 HB3 PHE 36 HB3 PHE 36 177.183 -2.310 -1.625 241 HD1 PHE 36 HD1 PHE 36 177.949 1.212 -0.655 242 HD2 PHE 36 HD2 PHE 36 179.331 -2.418 -2.386 243 HE1 PHE 36 HE1 PHE 36 180.180 2.204 -0.941 244 HE2 PHE 36 HE2 PHE 36 181.566 -1.432 -2.679 245 HZ PHE 36 HZ PHE 36 181.993 0.883 -1.956 246 H HIS 37 H HIS 37 176.549 1.355 -3.689 247 HA HIS 37 HA HIS 37 177.018 -0.359 -6.033 248 HB2 HIS 37 HB2 HIS 37 175.135 1.809 -5.576 249 HB3 HIS 37 HB3 HIS 37 176.205 2.153 -6.909 250 HD1 HIS 37 HD1 HIS 37 174.063 1.938 -8.481 251 HD2 HIS 37 HD2 HIS 37 175.194 -1.548 -6.533 252 HE1 HIS 37 HE1 HIS 37 172.813 0.090 -9.635 253 HE2 HIS 37 HE2 HIS 37 173.570 -2.020 -8.487 254 H GLY 38 H GLY 38 179.225 -0.153 -6.553 255 HA2 GLY 38 HA2 GLY 38 180.273 2.581 -6.561 256 HA3 GLY 38 HA3 GLY 38 181.055 1.457 -5.469 257 H LYS 39 H LYS 39 181.842 2.986 -7.966 258 HA LYS 39 HA LYS 39 183.035 0.701 -9.380 259 HB2 LYS 39 HB2 LYS 39 181.272 2.308 -10.563 260 HB3 LYS 39 HB3 LYS 39 182.697 3.317 -10.767 261 HG2 LYS 39 HG2 LYS 39 183.791 1.192 -11.733 262 HG3 LYS 39 HG3 LYS 39 182.133 0.607 -11.893 263 HD2 LYS 39 HD2 LYS 39 182.594 3.337 -12.885 264 HD3 LYS 39 HD3 LYS 39 183.436 2.065 -13.775 265 HE2 LYS 39 HE2 LYS 39 181.490 1.950 -14.908 266 HE3 LYS 39 HE3 LYS 39 181.003 0.944 -13.545 267 HZ1 LYS 39 HZ1 LYS 39 179.299 2.408 -13.526 268 HZ2 LYS 39 HZ2 LYS 39 180.193 3.657 -14.232 269 HZ3 LYS 39 HZ3 LYS 39 180.374 3.317 -12.587 270 H LEU 40 H LEU 40 185.186 0.648 -9.326 271 HA LEU 40 HA LEU 40 186.593 2.930 -8.184 272 HB2 LEU 40 HB2 LEU 40 188.417 1.464 -7.797 273 HB3 LEU 40 HB3 LEU 40 186.958 0.612 -7.333 274 HG LEU 40 HG LEU 40 187.835 0.121 -10.100 275 HD11 LEU 40 HD11 LEU 40 189.896 0.270 -8.392 276 HD12 LEU 40 HD12 LEU 40 189.825 -0.877 -9.731 277 HD13 LEU 40 HD13 LEU 40 189.386 -1.393 -8.102 278 HD21 LEU 40 HD21 LEU 40 187.424 -2.026 -8.109 279 HD22 LEU 40 HD22 LEU 40 186.840 -1.886 -9.767 280 HD23 LEU 40 HD23 LEU 40 186.034 -1.003 -8.471 281 H ASN 41 H ASN 41 188.182 4.082 -9.199 282 HA ASN 41 HA ASN 41 189.347 5.027 -10.907 283 HB2 ASN 41 HB2 ASN 41 189.935 2.385 -11.089 284 HB3 ASN 41 HB3 ASN 41 189.216 2.655 -12.673 285 HD21 ASN 41 HD21 ASN 41 190.442 3.494 -14.213 286 HD22 ASN 41 HD22 ASN 41 191.997 4.211 -13.980 287 H GLU 42 H GLU 42 186.574 5.402 -10.854 288 HA GLU 42 HA GLU 42 186.107 6.460 -13.388 289 HB2 GLU 42 HB2 GLU 42 185.788 4.078 -14.011 290 HB3 GLU 42 HB3 GLU 42 184.485 3.973 -12.833 291 HG2 GLU 42 HG2 GLU 42 183.213 5.634 -14.045 292 HG3 GLU 42 HG3 GLU 42 184.533 5.835 -15.195 293 H GLU 43 H GLU 43 185.208 8.210 -12.678 294 HA GLU 43 HA GLU 43 183.866 8.660 -10.332 295 HB2 GLU 43 HB2 GLU 43 183.413 10.117 -12.936 296 HB3 GLU 43 HB3 GLU 43 183.030 10.726 -11.330 297 HG2 GLU 43 HG2 GLU 43 185.398 10.658 -10.745 298 HG3 GLU 43 HG3 GLU 43 185.765 10.066 -12.358 299 H MET 44 H MET 44 181.517 9.821 -10.633 300 HA MET 44 HA MET 44 179.732 7.685 -11.581 301 HB2 MET 44 HB2 MET 44 179.553 9.430 -9.129 302 HB3 MET 44 HB3 MET 44 178.176 8.530 -9.750 303 HG2 MET 44 HG2 MET 44 180.239 6.673 -9.612 304 HG3 MET 44 HG3 MET 44 180.391 7.633 -8.143 305 HE1 MET 44 HE1 MET 44 178.127 4.039 -8.052 306 HE2 MET 44 HE2 MET 44 179.802 4.529 -8.320 307 HE3 MET 44 HE3 MET 44 178.651 4.561 -9.655 308 H ASP 45 H ASP 45 178.071 8.228 -12.847 309 HA ASP 45 HA ASP 45 177.179 10.979 -13.071 310 HB2 ASP 45 HB2 ASP 45 179.161 10.557 -14.660 311 HB3 ASP 45 HB3 ASP 45 178.050 9.546 -15.571 312 H GLY 46 H GLY 46 175.541 9.429 -12.001 313 HA2 GLY 46 HA2 GLY 46 173.209 9.125 -12.615 314 HA3 GLY 46 HA3 GLY 46 173.801 8.361 -14.075 315 H LEU 47 H LEU 47 172.284 7.605 -11.390 316 HA LEU 47 HA LEU 47 173.557 5.710 -9.950 317 HB2 LEU 47 HB2 LEU 47 170.751 5.473 -11.028 318 HB3 LEU 47 HB3 LEU 47 171.391 4.638 -9.630 319 HG LEU 47 HG LEU 47 171.493 7.612 -9.638 320 HD11 LEU 47 HD11 LEU 47 169.230 7.123 -10.416 321 HD12 LEU 47 HD12 LEU 47 169.219 7.745 -8.765 322 HD13 LEU 47 HD13 LEU 47 168.998 6.020 -9.059 323 HD21 LEU 47 HD21 LEU 47 172.359 5.895 -7.860 324 HD22 LEU 47 HD22 LEU 47 170.667 5.874 -7.365 325 HD23 LEU 47 HD23 LEU 47 171.569 7.389 -7.358 326 H GLU 48 H GLU 48 175.106 4.563 -11.078 327 HA GLU 48 HA GLU 48 174.076 2.561 -12.980 328 HB2 GLU 48 HB2 GLU 48 176.655 4.085 -12.896 329 HB3 GLU 48 HB3 GLU 48 176.602 2.504 -13.663 330 HG2 GLU 48 HG2 GLU 48 174.427 3.797 -14.740 331 HG3 GLU 48 HG3 GLU 48 175.634 5.073 -14.607 332 H ALA 49 H ALA 49 175.014 0.456 -12.909 333 HA ALA 49 HA ALA 49 175.201 -0.656 -10.389 334 HB1 ALA 49 HB1 ALA 49 174.908 -1.676 -12.834 335 HB2 ALA 49 HB2 ALA 49 175.379 -2.649 -11.442 336 HB3 ALA 49 HB3 ALA 49 176.606 -2.070 -12.568 337 H GLY 50 H GLY 50 177.654 0.908 -12.258 338 HA2 GLY 50 HA2 GLY 50 179.903 1.236 -11.903 339 HA3 GLY 50 HA3 GLY 50 179.483 1.149 -10.198 340 H HIS 51 H HIS 51 180.298 -0.482 -9.038 341 HA HIS 51 HA HIS 51 181.151 -2.897 -10.438 342 HB2 HIS 51 HB2 HIS 51 183.044 -1.173 -9.862 343 HB3 HIS 51 HB3 HIS 51 182.881 -1.841 -8.242 344 HD1 HIS 51 HD1 HIS 51 183.090 -4.606 -8.222 345 HD2 HIS 51 HD2 HIS 51 184.773 -2.547 -11.414 346 HE1 HIS 51 HE1 HIS 51 184.743 -6.198 -9.252 347 HE2 HIS 51 HE2 HIS 51 185.693 -4.957 -11.228 348 H TRP 52 H TRP 52 181.379 -1.763 -7.073 349 HA TRP 52 HA TRP 52 180.483 -4.284 -6.079 350 HB2 TRP 52 HB2 TRP 52 180.947 -1.608 -4.760 351 HB3 TRP 52 HB3 TRP 52 180.406 -3.029 -3.872 352 HD1 TRP 52 HD1 TRP 52 182.165 -5.048 -3.599 353 HE1 TRP 52 HE1 TRP 52 184.731 -5.093 -3.733 354 HE3 TRP 52 HE3 TRP 52 182.932 -0.567 -5.933 355 HZ2 TRP 52 HZ2 TRP 52 186.813 -3.445 -4.700 356 HZ3 TRP 52 HZ3 TRP 52 185.239 0.126 -6.429 357 HH2 TRP 52 HH2 TRP 52 187.139 -1.283 -5.823 358 H ALA 53 H ALA 53 178.473 -4.720 -6.906 359 HA ALA 53 HA ALA 53 176.295 -2.935 -6.046 360 HB1 ALA 53 HB1 ALA 53 176.128 -4.806 -8.392 361 HB2 ALA 53 HB2 ALA 53 176.700 -3.144 -8.542 362 HB3 ALA 53 HB3 ALA 53 175.058 -3.465 -7.981 363 H ARG 54 H ARG 54 175.911 -3.976 -4.076 364 HA ARG 54 HA ARG 54 174.486 -6.494 -4.331 365 HB2 ARG 54 HB2 ARG 54 176.893 -6.995 -3.900 366 HB3 ARG 54 HB3 ARG 54 176.743 -6.165 -2.365 367 HG2 ARG 54 HG2 ARG 54 176.502 -8.411 -1.811 368 HG3 ARG 54 HG3 ARG 54 174.840 -7.816 -1.877 369 HD2 ARG 54 HD2 ARG 54 174.705 -8.655 -4.218 370 HD3 ARG 54 HD3 ARG 54 176.301 -9.371 -4.007 371 HE ARG 54 HE ARG 54 174.672 -10.283 -1.934 372 HH11 ARG 54 HH11 ARG 54 174.898 -10.552 -5.407 373 HH12 ARG 54 HH12 ARG 54 174.173 -12.124 -5.458 374 HH21 ARG 54 HH21 ARG 54 173.718 -12.351 -2.000 375 HH22 ARG 54 HH22 ARG 54 173.503 -13.145 -3.524 376 H ASP 55 H ASP 55 172.771 -6.620 -3.018 377 HA ASP 55 HA ASP 55 172.254 -4.426 -1.179 378 HB2 ASP 55 HB2 ASP 55 169.973 -5.559 -1.062 379 HB3 ASP 55 HB3 ASP 55 170.427 -4.868 -2.613 380 H ILE 56 H ILE 56 171.885 -4.671 1.013 381 HA ILE 56 HA ILE 56 172.409 -7.346 2.137 382 HB ILE 56 HB ILE 56 173.313 -4.813 3.485 383 HG12 ILE 56 HG12 ILE 56 174.971 -6.622 1.713 384 HG13 ILE 56 HG13 ILE 56 174.437 -4.999 1.285 385 HG21 ILE 56 HG21 ILE 56 174.240 -6.143 5.055 386 HG22 ILE 56 HG22 ILE 56 174.665 -7.401 3.894 387 HG23 ILE 56 HG23 ILE 56 173.013 -7.281 4.498 388 HD11 ILE 56 HD11 ILE 56 176.747 -5.813 2.745 389 HD12 ILE 56 HD12 ILE 56 175.740 -4.781 3.763 390 HD13 ILE 56 HD13 ILE 56 176.287 -4.204 2.190 391 H THR 57 H THR 57 171.227 -7.944 3.924 392 HA THR 57 HA THR 57 169.281 -6.007 4.970 393 HB THR 57 HB THR 57 168.522 -8.865 4.410 394 HG1 THR 57 HG1 THR 57 167.605 -8.140 2.487 395 HG21 THR 57 HG21 THR 57 167.134 -7.440 5.956 396 HG22 THR 57 HG22 THR 57 166.290 -8.150 4.578 397 HG23 THR 57 HG23 THR 57 166.753 -6.448 4.548 398 H LYS 58 H LYS 58 171.793 -7.033 6.044 399 HA LYS 58 HA LYS 58 170.780 -7.889 8.623 400 HB2 LYS 58 HB2 LYS 58 172.513 -9.741 8.724 401 HB3 LYS 58 HB3 LYS 58 171.108 -10.048 7.712 402 HG2 LYS 58 HG2 LYS 58 172.691 -9.057 5.841 403 HG3 LYS 58 HG3 LYS 58 173.941 -9.619 6.951 404 HD2 LYS 58 HD2 LYS 58 173.422 -11.348 5.327 405 HD3 LYS 58 HD3 LYS 58 172.922 -11.858 6.939 406 HE2 LYS 58 HE2 LYS 58 170.778 -10.458 5.641 407 HE3 LYS 58 HE3 LYS 58 171.366 -11.754 4.602 408 HZ1 LYS 58 HZ1 LYS 58 169.943 -12.957 5.844 409 HZ2 LYS 58 HZ2 LYS 58 170.007 -11.906 7.168 410 HZ3 LYS 58 HZ3 LYS 58 171.248 -13.028 6.920 411 HA PRO 59 HA PRO 59 174.014 -4.615 8.978 412 HB2 PRO 59 HB2 PRO 59 172.803 -4.698 11.699 413 HB3 PRO 59 HB3 PRO 59 173.219 -3.302 10.697 414 HG2 PRO 59 HG2 PRO 59 170.684 -4.079 10.968 415 HG3 PRO 59 HG3 PRO 59 171.295 -3.491 9.411 416 HD2 PRO 59 HD2 PRO 59 170.693 -6.278 10.281 417 HD3 PRO 59 HD3 PRO 59 170.518 -5.532 8.681 418 H LYS 60 H LYS 60 175.708 -4.326 10.673 419 HA LYS 60 HA LYS 60 176.580 -6.950 11.691 420 HB2 LYS 60 HB2 LYS 60 177.924 -5.049 10.077 421 HB3 LYS 60 HB3 LYS 60 178.710 -5.021 11.650 422 HG2 LYS 60 HG2 LYS 60 178.223 -7.518 10.040 423 HG3 LYS 60 HG3 LYS 60 179.730 -6.602 10.040 424 HD2 LYS 60 HD2 LYS 60 180.362 -7.884 11.755 425 HD3 LYS 60 HD3 LYS 60 179.197 -6.987 12.728 426 HE2 LYS 60 HE2 LYS 60 178.915 -9.425 12.930 427 HE3 LYS 60 HE3 LYS 60 177.488 -8.634 12.263 428 HZ1 LYS 60 HZ1 LYS 60 179.088 -10.673 11.126 429 HZ2 LYS 60 HZ2 LYS 60 179.068 -9.326 10.102 430 HZ3 LYS 60 HZ3 LYS 60 177.614 -10.046 10.579 431 H GLU 61 H GLU 61 174.756 -5.262 13.048 432 HA GLU 61 HA GLU 61 174.349 -4.769 15.227 433 HB2 GLU 61 HB2 GLU 61 176.748 -6.107 15.474 434 HB3 GLU 61 HB3 GLU 61 177.089 -4.549 16.215 435 HG2 GLU 61 HG2 GLU 61 174.594 -5.347 17.209 436 HG3 GLU 61 HG3 GLU 61 175.622 -6.779 17.252 437 H GLY 62 H GLY 62 173.613 -2.804 14.542 438 HA2 GLY 62 HA2 GLY 62 173.491 -0.516 14.721 439 HA3 GLY 62 HA3 GLY 62 175.010 -0.555 15.606 440 H ARG 63 H ARG 63 175.735 -2.234 12.943 441 HA ARG 63 HA ARG 63 175.992 -0.065 11.056 442 HB2 ARG 63 HB2 ARG 63 178.219 -0.837 12.824 443 HB3 ARG 63 HB3 ARG 63 178.631 -0.745 11.118 444 HG2 ARG 63 HG2 ARG 63 178.317 1.511 11.017 445 HG3 ARG 63 HG3 ARG 63 177.124 1.515 12.318 446 HD2 ARG 63 HD2 ARG 63 178.803 1.288 13.977 447 HD3 ARG 63 HD3 ARG 63 180.037 0.917 12.773 448 HE ARG 63 HE ARG 63 179.099 3.521 13.556 449 HH11 ARG 63 HH11 ARG 63 180.644 1.670 11.032 450 HH12 ARG 63 HH12 ARG 63 181.436 3.043 10.337 451 HH21 ARG 63 HH21 ARG 63 180.141 5.330 12.642 452 HH22 ARG 63 HH22 ARG 63 181.152 5.121 11.250 453 H TRP 64 H TRP 64 175.988 -0.866 9.004 454 HA TRP 64 HA TRP 64 175.997 -3.716 8.655 455 HB2 TRP 64 HB2 TRP 64 175.964 -1.615 6.497 456 HB3 TRP 64 HB3 TRP 64 175.459 -3.281 6.367 457 HD1 TRP 64 HD1 TRP 64 174.353 -0.197 8.462 458 HE1 TRP 64 HE1 TRP 64 171.789 -0.232 8.593 459 HE3 TRP 64 HE3 TRP 64 173.451 -4.512 5.865 460 HZ2 TRP 64 HZ2 TRP 64 169.659 -1.860 7.712 461 HZ3 TRP 64 HZ3 TRP 64 171.118 -5.234 5.557 462 HH2 TRP 64 HH2 TRP 64 169.258 -3.932 6.466 463 H THR 65 H THR 65 177.394 -4.836 7.214 464 HA THR 65 HA THR 65 179.977 -3.544 6.703 465 HB THR 65 HB THR 65 179.597 -6.245 8.010 466 HG1 THR 65 HG1 THR 65 179.483 -4.153 9.248 467 HG21 THR 65 HG21 THR 65 181.938 -6.509 8.082 468 HG22 THR 65 HG22 THR 65 182.214 -4.885 7.454 469 HG23 THR 65 HG23 THR 65 181.531 -6.131 6.408 470 H PHE 66 H PHE 66 180.439 -3.697 4.622 471 HA PHE 66 HA PHE 66 179.579 -6.110 3.165 472 HB2 PHE 66 HB2 PHE 66 178.276 -4.197 2.403 473 HB3 PHE 66 HB3 PHE 66 179.748 -3.267 2.135 474 HD1 PHE 66 HD1 PHE 66 178.084 -6.425 1.077 475 HD2 PHE 66 HD2 PHE 66 180.697 -3.233 0.033 476 HE1 PHE 66 HE1 PHE 66 178.197 -7.278 -1.228 477 HE2 PHE 66 HE2 PHE 66 180.814 -4.078 -2.273 478 HZ PHE 66 HZ PHE 66 179.563 -6.103 -2.907 479 H ARG 67 H ARG 67 181.518 -7.196 3.416 480 HA ARG 67 HA ARG 67 183.917 -5.886 2.351 481 HB2 ARG 67 HB2 ARG 67 185.201 -7.592 3.512 482 HB3 ARG 67 HB3 ARG 67 184.092 -6.807 4.628 483 HG2 ARG 67 HG2 ARG 67 182.975 -8.697 5.045 484 HG3 ARG 67 HG3 ARG 67 182.999 -9.200 3.353 485 HD2 ARG 67 HD2 ARG 67 184.641 -10.633 3.780 486 HD3 ARG 67 HD3 ARG 67 185.656 -9.323 4.382 487 HE ARG 67 HE ARG 67 183.719 -10.259 6.290 488 HH11 ARG 67 HH11 ARG 67 186.918 -10.747 4.982 489 HH12 ARG 67 HH12 ARG 67 187.514 -11.541 6.401 490 HH21 ARG 67 HH21 ARG 67 184.502 -11.302 8.158 491 HH22 ARG 67 HH22 ARG 67 186.142 -11.856 8.204 492 H ASP 68 H ASP 68 185.172 -6.841 0.763 493 HA ASP 68 HA ASP 68 184.127 -9.255 -0.531 494 HB2 ASP 68 HB2 ASP 68 183.220 -7.225 -1.693 495 HB3 ASP 68 HB3 ASP 68 184.876 -6.760 -2.065 496 H ARG 69 H ARG 69 185.782 -10.616 -0.278 497 HA ARG 69 HA ARG 69 188.525 -9.673 -0.459 498 HB2 ARG 69 HB2 ARG 69 187.565 -11.384 1.245 499 HB3 ARG 69 HB3 ARG 69 187.728 -12.539 -0.070 500 HG2 ARG 69 HG2 ARG 69 190.178 -11.324 -0.065 501 HG3 ARG 69 HG3 ARG 69 189.762 -11.350 1.650 502 HD2 ARG 69 HD2 ARG 69 189.035 -13.862 0.802 503 HD3 ARG 69 HD3 ARG 69 190.489 -13.537 -0.140 504 HE ARG 69 HE ARG 69 191.019 -12.838 2.504 505 HH11 ARG 69 HH11 ARG 69 190.297 -15.705 0.650 506 HH12 ARG 69 HH12 ARG 69 191.177 -16.760 1.703 507 HH21 ARG 69 HH21 ARG 69 192.177 -14.226 3.892 508 HH22 ARG 69 HH22 ARG 69 192.245 -15.921 3.545 509 H ASN 70 H ASN 70 186.673 -9.893 -2.852 510 HA ASN 70 HA ASN 70 188.535 -11.423 -4.527 511 HB2 ASN 70 HB2 ASN 70 185.537 -11.634 -4.465 512 HB3 ASN 70 HB3 ASN 70 186.442 -12.025 -5.925 513 HD21 ASN 70 HD21 ASN 70 185.670 -12.965 -2.691 514 HD22 ASN 70 HD22 ASN 70 186.385 -14.537 -2.752 515 H ALA 71 H ALA 71 188.674 -8.692 -4.148 516 HA ALA 71 HA ALA 71 187.664 -7.649 -6.716 517 HB1 ALA 71 HB1 ALA 71 188.079 -6.171 -4.121 518 HB2 ALA 71 HB2 ALA 71 186.542 -6.526 -4.910 519 HB3 ALA 71 HB3 ALA 71 187.680 -5.405 -5.659 520 H LYS 72 H LYS 72 189.185 -7.153 -8.145 521 HA LYS 72 HA LYS 72 191.959 -7.269 -7.467 522 HB2 LYS 72 HB2 LYS 72 190.914 -7.975 -9.672 523 HB3 LYS 72 HB3 LYS 72 190.786 -6.264 -10.058 524 HG2 LYS 72 HG2 LYS 72 193.355 -6.293 -9.462 525 HG3 LYS 72 HG3 LYS 72 193.188 -7.998 -9.885 526 HD2 LYS 72 HD2 LYS 72 192.012 -5.982 -11.724 527 HD3 LYS 72 HD3 LYS 72 193.769 -6.155 -11.700 528 HE2 LYS 72 HE2 LYS 72 192.872 -8.762 -11.769 529 HE3 LYS 72 HE3 LYS 72 191.730 -7.914 -12.810 530 HZ1 LYS 72 HZ1 LYS 72 193.324 -7.430 -14.325 531 HZ2 LYS 72 HZ2 LYS 72 194.011 -8.846 -13.706 532 HZ3 LYS 72 HZ3 LYS 72 194.568 -7.338 -13.182 533 H LEU 73 H LEU 73 191.918 -5.550 -5.843 534 HA LEU 73 HA LEU 73 191.787 -2.836 -6.933 535 HB2 LEU 73 HB2 LEU 73 192.131 -3.701 -4.063 536 HB3 LEU 73 HB3 LEU 73 191.783 -2.081 -4.635 537 HG LEU 73 HG LEU 73 189.774 -3.949 -5.558 538 HD11 LEU 73 HD11 LEU 73 190.054 -5.289 -3.680 539 HD12 LEU 73 HD12 LEU 73 188.783 -4.167 -3.194 540 HD13 LEU 73 HD13 LEU 73 190.438 -3.918 -2.639 541 HD21 LEU 73 HD21 LEU 73 189.226 -1.690 -5.615 542 HD22 LEU 73 HD22 LEU 73 189.866 -1.392 -4.000 543 HD23 LEU 73 HD23 LEU 73 188.356 -2.279 -4.200 544 H LYS 74 H LYS 74 193.518 -1.441 -6.927 545 HA LYS 74 HA LYS 74 196.106 -2.532 -6.055 546 HB2 LYS 74 HB2 LYS 74 197.157 -1.535 -8.055 547 HB3 LYS 74 HB3 LYS 74 195.998 -2.794 -8.464 548 HG2 LYS 74 HG2 LYS 74 195.436 -1.205 -9.997 549 HG3 LYS 74 HG3 LYS 74 194.353 -0.758 -8.677 550 HD2 LYS 74 HD2 LYS 74 195.452 1.172 -8.257 551 HD3 LYS 74 HD3 LYS 74 197.032 0.467 -8.604 552 HE2 LYS 74 HE2 LYS 74 196.618 0.630 -10.984 553 HE3 LYS 74 HE3 LYS 74 194.988 1.230 -10.685 554 HZ1 LYS 74 HZ1 LYS 74 196.072 3.131 -9.491 555 HZ2 LYS 74 HZ2 LYS 74 196.327 3.093 -11.162 556 HZ3 LYS 74 HZ3 LYS 74 197.553 2.596 -10.110 557 H LEU 75 H LEU 75 197.756 -0.906 -5.668 558 HA LEU 75 HA LEU 75 196.745 1.277 -4.164 559 HB2 LEU 75 HB2 LEU 75 198.966 -0.082 -3.936 560 HB3 LEU 75 HB3 LEU 75 199.594 1.100 -5.067 561 HG LEU 75 HG LEU 75 198.228 2.030 -2.576 562 HD11 LEU 75 HD11 LEU 75 200.355 1.990 -1.390 563 HD12 LEU 75 HD12 LEU 75 201.110 1.167 -2.755 564 HD13 LEU 75 HD13 LEU 75 199.846 0.360 -1.829 565 HD21 LEU 75 HD21 LEU 75 199.860 3.881 -2.848 566 HD22 LEU 75 HD22 LEU 75 198.766 3.702 -4.219 567 HD23 LEU 75 HD23 LEU 75 200.424 3.114 -4.332 568 H GLY 76 H GLY 76 196.457 3.360 -4.666 569 HA2 GLY 76 HA2 GLY 76 197.066 5.351 -5.880 570 HA3 GLY 76 HA3 GLY 76 197.487 4.331 -7.248 571 H ASP 77 H ASP 77 195.037 2.704 -6.874 572 HA ASP 77 HA ASP 77 193.384 4.011 -8.679 573 HB2 ASP 77 HB2 ASP 77 193.474 1.527 -8.162 574 HB3 ASP 77 HB3 ASP 77 192.465 1.874 -6.764 575 H LYS 78 H LYS 78 191.069 4.558 -8.317 576 HA LYS 78 HA LYS 78 190.663 5.887 -5.715 577 HB2 LYS 78 HB2 LYS 78 191.196 7.349 -7.815 578 HB3 LYS 78 HB3 LYS 78 189.533 7.001 -8.263 579 HG2 LYS 78 HG2 LYS 78 189.046 8.831 -7.084 580 HG3 LYS 78 HG3 LYS 78 189.245 7.790 -5.675 581 HD2 LYS 78 HD2 LYS 78 191.751 8.908 -6.698 582 HD3 LYS 78 HD3 LYS 78 190.604 10.119 -6.118 583 HE2 LYS 78 HE2 LYS 78 190.466 9.035 -3.975 584 HE3 LYS 78 HE3 LYS 78 191.463 7.695 -4.544 585 HZ1 LYS 78 HZ1 LYS 78 192.562 10.409 -4.683 586 HZ2 LYS 78 HZ2 LYS 78 193.356 8.935 -4.438 587 HZ3 LYS 78 HZ3 LYS 78 192.491 9.650 -3.172 588 H ILE 79 H ILE 79 188.475 6.091 -5.031 589 HA ILE 79 HA ILE 79 186.697 4.112 -6.279 590 HB ILE 79 HB ILE 79 187.375 4.602 -3.461 591 HG12 ILE 79 HG12 ILE 79 186.663 2.175 -3.374 592 HG13 ILE 79 HG13 ILE 79 186.340 2.286 -5.100 593 HG21 ILE 79 HG21 ILE 79 184.523 4.007 -4.246 594 HG22 ILE 79 HG22 ILE 79 185.097 5.450 -3.411 595 HG23 ILE 79 HG23 ILE 79 185.182 3.880 -2.616 596 HD11 ILE 79 HD11 ILE 79 188.585 1.329 -4.335 597 HD12 ILE 79 HD12 ILE 79 189.022 3.001 -3.986 598 HD13 ILE 79 HD13 ILE 79 188.587 2.527 -5.628 599 H TYR 80 H TYR 80 184.568 4.548 -6.613 600 HA TYR 80 HA TYR 80 183.477 7.139 -5.832 601 HB2 TYR 80 HB2 TYR 80 183.768 6.203 -8.692 602 HB3 TYR 80 HB3 TYR 80 182.594 7.427 -8.211 603 HD1 TYR 80 HD1 TYR 80 183.629 9.417 -6.789 604 HD2 TYR 80 HD2 TYR 80 185.838 6.912 -9.424 605 HE1 TYR 80 HE1 TYR 80 185.360 11.154 -6.980 606 HE2 TYR 80 HE2 TYR 80 187.575 8.642 -9.622 607 HH TYR 80 HH TYR 80 188.009 11.053 -7.586 608 H PHE 81 H PHE 81 181.418 6.813 -5.073 609 HA PHE 81 HA PHE 81 179.736 4.803 -6.306 610 HB2 PHE 81 HB2 PHE 81 179.433 3.555 -4.151 611 HB3 PHE 81 HB3 PHE 81 180.998 3.349 -4.898 612 HD1 PHE 81 HD1 PHE 81 182.863 5.001 -4.042 613 HD2 PHE 81 HD2 PHE 81 179.288 4.066 -1.933 614 HE1 PHE 81 HE1 PHE 81 183.918 5.721 -1.937 615 HE2 PHE 81 HE2 PHE 81 180.337 4.787 0.172 616 HZ PHE 81 HZ PHE 81 182.656 5.613 0.173 617 H TRP 82 H TRP 82 177.902 4.293 -4.651 618 HA TRP 82 HA TRP 82 176.966 6.552 -3.126 619 HB2 TRP 82 HB2 TRP 82 174.868 6.843 -4.302 620 HB3 TRP 82 HB3 TRP 82 176.193 7.109 -5.423 621 HD1 TRP 82 HD1 TRP 82 176.759 4.837 -7.020 622 HE1 TRP 82 HE1 TRP 82 175.061 3.330 -8.217 623 HE3 TRP 82 HE3 TRP 82 172.626 5.909 -4.217 624 HZ2 TRP 82 HZ2 TRP 82 172.323 2.660 -7.989 625 HZ3 TRP 82 HZ3 TRP 82 170.505 4.789 -4.767 626 HH2 TRP 82 HH2 TRP 82 170.359 3.198 -6.614 627 H THR 83 H THR 83 175.884 5.804 -1.397 628 HA THR 83 HA THR 83 175.333 2.921 -1.340 629 HB THR 83 HB THR 83 175.017 3.620 1.221 630 HG1 THR 83 HG1 THR 83 176.910 5.504 0.283 631 HG21 THR 83 HG21 THR 83 177.462 3.265 1.574 632 HG22 THR 83 HG22 THR 83 177.644 3.225 -0.179 633 HG23 THR 83 HG23 THR 83 176.654 2.012 0.633 634 H TYR 84 H TYR 84 173.386 2.176 -0.171 635 HA TYR 84 HA TYR 84 171.195 4.111 -0.161 636 HB2 TYR 84 HB2 TYR 84 171.225 3.011 -2.378 637 HB3 TYR 84 HB3 TYR 84 171.103 1.448 -1.580 638 HD1 TYR 84 HD1 TYR 84 169.295 4.651 -0.943 639 HD2 TYR 84 HD2 TYR 84 169.022 0.582 -2.156 640 HE1 TYR 84 HE1 TYR 84 166.844 4.839 -1.001 641 HE2 TYR 84 HE2 TYR 84 166.570 0.760 -2.219 642 HH TYR 84 HH TYR 84 164.912 3.249 -2.506 643 H VAL 85 H VAL 85 169.714 3.750 1.430 644 HA VAL 85 HA VAL 85 169.893 1.211 2.898 645 HB VAL 85 HB VAL 85 170.684 2.207 4.730 646 HG11 VAL 85 HG11 VAL 85 170.312 4.870 3.369 647 HG12 VAL 85 HG12 VAL 85 171.748 3.852 3.285 648 HG13 VAL 85 HG13 VAL 85 171.267 4.574 4.821 649 HG21 VAL 85 HG21 VAL 85 168.216 3.937 4.616 650 HG22 VAL 85 HG22 VAL 85 169.310 3.834 5.994 651 HG23 VAL 85 HG23 VAL 85 168.408 2.410 5.479 652 H ILE 86 H ILE 86 167.944 0.810 4.264 653 HA ILE 86 HA ILE 86 165.538 2.189 3.284 654 HB ILE 86 HB ILE 86 165.739 -0.811 3.555 655 HG12 ILE 86 HG12 ILE 86 166.994 0.075 1.620 656 HG13 ILE 86 HG13 ILE 86 165.612 -0.911 1.151 657 HG21 ILE 86 HG21 ILE 86 163.507 0.873 2.431 658 HG22 ILE 86 HG22 ILE 86 163.526 0.196 4.059 659 HG23 ILE 86 HG23 ILE 86 163.512 -0.877 2.658 660 HD11 ILE 86 HD11 ILE 86 164.515 1.559 1.167 661 HD12 ILE 86 HD12 ILE 86 165.184 0.755 -0.253 662 HD13 ILE 86 HD13 ILE 86 166.165 1.908 0.654 663 H LYS 87 H LYS 87 164.852 3.139 5.088 664 HA LYS 87 HA LYS 87 164.863 1.640 7.605 665 HB2 LYS 87 HB2 LYS 87 165.772 4.093 7.244 666 HB3 LYS 87 HB3 LYS 87 164.078 4.519 7.434 667 HG2 LYS 87 HG2 LYS 87 165.271 2.718 9.462 668 HG3 LYS 87 HG3 LYS 87 165.752 4.415 9.481 669 HD2 LYS 87 HD2 LYS 87 162.950 4.367 9.155 670 HD3 LYS 87 HD3 LYS 87 163.334 3.209 10.430 671 HE2 LYS 87 HE2 LYS 87 163.319 5.012 11.768 672 HE3 LYS 87 HE3 LYS 87 164.931 5.296 11.113 673 HZ1 LYS 87 HZ1 LYS 87 164.068 6.833 9.554 674 HZ2 LYS 87 HZ2 LYS 87 163.395 7.246 11.050 675 HZ3 LYS 87 HZ3 LYS 87 162.466 6.416 9.904 676 H ASP 88 H ASP 88 163.054 0.395 6.459 677 HA ASP 88 HA ASP 88 160.861 -0.202 6.411 678 HB2 ASP 88 HB2 ASP 88 161.172 0.978 8.821 679 HB3 ASP 88 HB3 ASP 88 159.960 2.047 8.121 680 H GLY 89 H GLY 89 161.356 0.890 4.179 681 HA2 GLY 89 HA2 GLY 89 160.302 1.884 2.382 682 HA3 GLY 89 HA3 GLY 89 158.989 2.332 3.462 683 H LEU 90 H LEU 90 162.301 3.212 4.110 684 HA LEU 90 HA LEU 90 161.884 5.924 3.099 685 HB2 LEU 90 HB2 LEU 90 162.902 5.568 5.895 686 HB3 LEU 90 HB3 LEU 90 162.244 7.008 5.135 687 HG LEU 90 HG LEU 90 160.588 4.574 5.749 688 HD11 LEU 90 HD11 LEU 90 160.786 7.097 7.387 689 HD12 LEU 90 HD12 LEU 90 161.578 5.577 7.807 690 HD13 LEU 90 HD13 LEU 90 159.817 5.667 7.739 691 HD21 LEU 90 HD21 LEU 90 158.809 5.738 4.989 692 HD22 LEU 90 HD22 LEU 90 160.046 6.572 4.047 693 HD23 LEU 90 HD23 LEU 90 159.444 7.287 5.544 694 H GLY 91 H GLY 91 163.450 4.940 1.622 695 HA2 GLY 91 HA2 GLY 91 166.046 4.347 2.609 696 HA3 GLY 91 HA3 GLY 91 165.573 4.372 0.931 697 H TYR 92 H TYR 92 167.989 5.264 1.864 698 HA TYR 92 HA TYR 92 167.998 7.987 0.866 699 HB2 TYR 92 HB2 TYR 92 169.326 7.402 3.518 700 HB3 TYR 92 HB3 TYR 92 169.152 8.965 2.726 701 HD1 TYR 92 HD1 TYR 92 166.719 9.813 2.381 702 HD2 TYR 92 HD2 TYR 92 167.788 6.751 5.135 703 HE1 TYR 92 HE1 TYR 92 164.637 10.214 3.626 704 HE2 TYR 92 HE2 TYR 92 165.708 7.143 6.386 705 HH TYR 92 HH TYR 92 163.565 8.098 6.152 706 H ARG 93 H ARG 93 170.020 8.496 -0.130 707 HA ARG 93 HA ARG 93 172.004 6.343 0.035 708 HB2 ARG 93 HB2 ARG 93 172.448 6.574 -2.354 709 HB3 ARG 93 HB3 ARG 93 170.770 6.114 -2.045 710 HG2 ARG 93 HG2 ARG 93 171.503 8.986 -2.431 711 HG3 ARG 93 HG3 ARG 93 171.281 7.920 -3.818 712 HD2 ARG 93 HD2 ARG 93 169.065 7.332 -2.394 713 HD3 ARG 93 HD3 ARG 93 169.302 9.015 -1.927 714 HE ARG 93 HE ARG 93 168.717 9.660 -4.049 715 HH11 ARG 93 HH11 ARG 93 169.332 6.225 -4.027 716 HH12 ARG 93 HH12 ARG 93 168.733 5.981 -5.633 717 HH21 ARG 93 HH21 ARG 93 167.928 9.341 -6.161 718 HH22 ARG 93 HH22 ARG 93 167.936 7.750 -6.844 719 H GLN 94 H GLN 94 174.093 6.844 0.036 720 HA GLN 94 HA GLN 94 174.771 9.686 0.238 721 HB2 GLN 94 HB2 GLN 94 175.437 7.888 2.010 722 HB3 GLN 94 HB3 GLN 94 176.667 7.432 0.841 723 HG2 GLN 94 HG2 GLN 94 177.062 10.087 0.912 724 HG3 GLN 94 HG3 GLN 94 176.469 9.819 2.549 725 HE21 GLN 94 HE21 GLN 94 178.513 7.890 0.384 726 HE22 GLN 94 HE22 GLN 94 179.844 7.759 1.478 727 H ASP 95 H ASP 95 174.515 9.874 -2.074 728 HA ASP 95 HA ASP 95 176.309 8.444 -3.804 729 HB2 ASP 95 HB2 ASP 95 175.369 9.909 -5.577 730 HB3 ASP 95 HB3 ASP 95 174.137 9.064 -4.649 731 H ASN 96 H ASN 96 177.471 9.887 -5.509 732 HA ASN 96 HA ASN 96 179.260 11.204 -5.974 733 HB2 ASN 96 HB2 ASN 96 177.679 13.018 -5.513 734 HB3 ASN 96 HB3 ASN 96 178.064 12.930 -3.798 735 HD21 ASN 96 HD21 ASN 96 179.345 13.688 -6.974 736 HD22 ASN 96 HD22 ASN 96 180.600 14.741 -6.424 737 H GLY 97 H GLY 97 179.249 9.194 -3.631 738 HA2 GLY 97 HA2 GLY 97 181.224 10.235 -1.816 739 HA3 GLY 97 HA3 GLY 97 180.657 8.576 -1.892 740 H GLU 98 H GLU 98 183.316 9.213 -1.482 741 HA GLU 98 HA GLU 98 184.500 7.839 -3.732 742 HB2 GLU 98 HB2 GLU 98 186.248 9.493 -4.132 743 HB3 GLU 98 HB3 GLU 98 184.661 10.185 -4.432 744 HG2 GLU 98 HG2 GLU 98 185.962 10.534 -1.769 745 HG3 GLU 98 HG3 GLU 98 186.443 11.542 -3.133 746 H TRP 99 H TRP 99 186.692 7.126 -3.318 747 HA TRP 99 HA TRP 99 187.759 7.406 -0.656 748 HB2 TRP 99 HB2 TRP 99 186.135 5.654 -0.245 749 HB3 TRP 99 HB3 TRP 99 186.728 4.737 -1.621 750 HD1 TRP 99 HD1 TRP 99 188.069 5.989 1.801 751 HE1 TRP 99 HE1 TRP 99 189.747 4.237 2.666 752 HE3 TRP 99 HE3 TRP 99 188.019 2.804 -2.176 753 HZ2 TRP 99 HZ2 TRP 99 190.899 1.816 1.759 754 HZ3 TRP 99 HZ3 TRP 99 189.427 0.793 -2.109 755 HH2 TRP 99 HH2 TRP 99 190.832 0.313 -0.182 756 H THR 100 H THR 100 189.852 6.119 -0.447 757 HA THR 100 HA THR 100 191.229 6.178 -3.051 758 HB THR 100 HB THR 100 191.885 7.763 -1.156 759 HG1 THR 100 HG1 THR 100 194.089 7.502 -1.649 760 HG21 THR 100 HG21 THR 100 192.150 5.345 0.292 761 HG22 THR 100 HG22 THR 100 192.513 6.991 0.820 762 HG23 THR 100 HG23 THR 100 193.767 6.012 0.060 763 H VAL 101 H VAL 101 193.028 4.722 -3.381 764 HA VAL 101 HA VAL 101 192.764 2.177 -1.909 765 HB VAL 101 HB VAL 101 193.622 2.295 -4.790 766 HG11 VAL 101 HG11 VAL 101 192.746 -0.084 -4.664 767 HG12 VAL 101 HG12 VAL 101 192.668 0.147 -2.917 768 HG13 VAL 101 HG13 VAL 101 194.216 0.266 -3.753 769 HG21 VAL 101 HG21 VAL 101 190.834 2.172 -3.672 770 HG22 VAL 101 HG22 VAL 101 191.233 1.482 -5.246 771 HG23 VAL 101 HG23 VAL 101 191.463 3.206 -4.953 772 H THR 102 H THR 102 194.713 4.744 -2.346 773 HA THR 102 HA THR 102 197.230 3.658 -2.957 774 HB THR 102 HB THR 102 198.151 5.712 -2.055 775 HG1 THR 102 HG1 THR 102 195.557 6.134 -0.991 776 HG21 THR 102 HG21 THR 102 197.457 6.700 -3.902 777 HG22 THR 102 HG22 THR 102 196.001 7.198 -3.041 778 HG23 THR 102 HG23 THR 102 196.013 5.690 -3.956 779 H GLU 103 H GLU 103 195.320 3.240 -0.183 780 HA GLU 103 HA GLU 103 197.658 2.177 1.251 781 HB2 GLU 103 HB2 GLU 103 196.942 4.341 2.245 782 HB3 GLU 103 HB3 GLU 103 195.355 3.647 2.544 783 HG2 GLU 103 HG2 GLU 103 196.043 2.541 4.359 784 HG3 GLU 103 HG3 GLU 103 197.569 2.066 3.613 785 H PHE 104 H PHE 104 197.263 0.370 2.600 786 HA PHE 104 HA PHE 104 194.627 -0.888 2.275 787 HB2 PHE 104 HB2 PHE 104 197.304 -2.267 1.972 788 HB3 PHE 104 HB3 PHE 104 195.739 -3.071 1.952 789 HD1 PHE 104 HD1 PHE 104 197.562 -0.322 0.208 790 HD2 PHE 104 HD2 PHE 104 194.772 -3.523 -0.080 791 HE1 PHE 104 HE1 PHE 104 197.427 0.021 -2.225 792 HE2 PHE 104 HE2 PHE 104 194.633 -3.186 -2.514 793 HZ PHE 104 HZ PHE 104 195.961 -1.413 -3.590 794 H VAL 105 H VAL 105 193.936 -2.139 4.022 795 HA VAL 105 HA VAL 105 195.474 -1.693 6.470 796 HB VAL 105 HB VAL 105 193.445 -2.205 7.714 797 HG11 VAL 105 HG11 VAL 105 192.602 -0.332 5.527 798 HG12 VAL 105 HG12 VAL 105 193.913 0.081 6.632 799 HG13 VAL 105 HG13 VAL 105 192.296 -0.230 7.261 800 HG21 VAL 105 HG21 VAL 105 192.677 -3.754 5.654 801 HG22 VAL 105 HG22 VAL 105 191.744 -2.305 5.285 802 HG23 VAL 105 HG23 VAL 105 191.547 -3.107 6.843 803 H ASN 106 H ASN 106 195.452 -3.429 8.087 804 HA ASN 106 HA ASN 106 196.349 -5.897 6.886 805 HB2 ASN 106 HB2 ASN 106 197.322 -4.550 8.934 806 HB3 ASN 106 HB3 ASN 106 196.146 -5.503 9.832 807 HD21 ASN 106 HD21 ASN 106 197.684 -6.658 10.934 808 HD22 ASN 106 HD22 ASN 106 198.674 -7.854 10.181 809 H GLU 107 H GLU 107 195.609 -7.972 7.422 810 HA GLU 107 HA GLU 107 192.834 -8.314 7.446 811 HB2 GLU 107 HB2 GLU 107 193.326 -10.679 8.045 812 HB3 GLU 107 HB3 GLU 107 194.291 -10.101 6.695 813 HG2 GLU 107 HG2 GLU 107 196.068 -9.588 8.506 814 HG3 GLU 107 HG3 GLU 107 195.131 -10.706 9.496 815 H ASP 108 H ASP 108 195.034 -7.482 9.895 816 HA ASP 108 HA ASP 108 193.604 -8.500 12.150 817 HB2 ASP 108 HB2 ASP 108 196.104 -7.494 11.812 818 HB3 ASP 108 HB3 ASP 108 195.293 -6.099 12.518 819 H GLY 109 H GLY 109 193.479 -5.589 10.195 820 HA2 GLY 109 HA2 GLY 109 191.256 -4.520 10.153 821 HA3 GLY 109 HA3 GLY 109 191.247 -4.663 11.903 822 H THR 110 H THR 110 194.262 -3.779 10.488 823 HA THR 110 HA THR 110 193.678 -0.936 10.850 824 HB THR 110 HB THR 110 195.415 -0.494 12.317 825 HG1 THR 110 HG1 THR 110 196.418 -3.114 11.898 826 HG21 THR 110 HG21 THR 110 195.171 -1.889 14.238 827 HG22 THR 110 HG22 THR 110 194.545 -3.214 13.259 828 HG23 THR 110 HG23 THR 110 193.599 -1.738 13.454 829 HA PRO 111 HA PRO 111 195.890 0.051 7.288 830 HB2 PRO 111 HB2 PRO 111 197.710 1.710 8.978 831 HB3 PRO 111 HB3 PRO 111 196.821 2.152 7.517 832 HG2 PRO 111 HG2 PRO 111 195.963 2.932 9.917 833 HG3 PRO 111 HG3 PRO 111 194.820 2.433 8.658 834 HD2 PRO 111 HD2 PRO 111 195.706 0.967 11.095 835 HD3 PRO 111 HD3 PRO 111 194.140 0.943 10.284 836 H ALA 112 H ALA 112 197.279 -1.086 6.187 837 HA ALA 112 HA ALA 112 199.252 -2.714 7.436 838 HB1 ALA 112 HB1 ALA 112 199.439 -3.787 5.428 839 HB2 ALA 112 HB2 ALA 112 199.226 -2.306 4.494 840 HB3 ALA 112 HB3 ALA 112 197.833 -3.080 5.252 841 H ASP 113 H ASP 113 201.286 -2.220 7.892 842 HA ASP 113 HA ASP 113 202.446 0.193 6.684 843 HB2 ASP 113 HB2 ASP 113 202.244 -0.423 9.305 844 HB3 ASP 113 HB3 ASP 113 203.823 -1.121 8.954 845 H THR 114 H THR 114 204.223 0.105 5.437 846 HA THR 114 HA THR 114 205.050 -2.299 4.271 847 HB THR 114 HB THR 114 206.838 0.109 4.356 848 HG1 THR 114 HG1 THR 114 205.514 1.001 2.705 849 HG21 THR 114 HG21 THR 114 207.707 -0.639 2.446 850 HG22 THR 114 HG22 THR 114 206.136 -1.111 1.801 851 HG23 THR 114 HG23 THR 114 206.992 -2.183 2.907 852 H SER 115 H SER 115 205.687 -3.825 5.761 853 HA SER 115 HA SER 115 208.337 -3.399 6.919 854 HB2 SER 115 HB2 SER 115 206.069 -3.262 8.501 855 HB3 SER 115 HB3 SER 115 206.613 -4.926 8.717 856 HG SER 115 HG SER 115 208.762 -3.897 9.074 857 H LEU 116 H LEU 116 209.370 -5.442 7.595 858 HA LEU 116 HA LEU 116 208.807 -7.510 5.647 859 HB2 LEU 116 HB2 LEU 116 211.122 -6.530 6.618 860 HB3 LEU 116 HB3 LEU 116 210.921 -7.911 7.680 861 HG LEU 116 HG LEU 116 210.651 -9.317 5.574 862 HD11 LEU 116 HD11 LEU 116 212.068 -8.037 3.698 863 HD12 LEU 116 HD12 LEU 116 211.227 -6.664 4.415 864 HD13 LEU 116 HD13 LEU 116 210.306 -8.016 3.759 865 HD21 LEU 116 HD21 LEU 116 212.654 -9.485 6.843 866 HD22 LEU 116 HD22 LEU 116 213.243 -7.937 6.237 867 HD23 LEU 116 HD23 LEU 116 213.125 -9.322 5.152 868 H GLU 117 H GLU 117 206.664 -7.607 7.087 869 HA GLU 117 HA GLU 117 205.313 -8.945 8.323 870 HB2 GLU 117 HB2 GLU 117 207.647 -10.707 7.766 871 HB3 GLU 117 HB3 GLU 117 206.509 -11.233 8.998 872 HG2 GLU 117 HG2 GLU 117 204.733 -10.698 7.152 873 HG3 GLU 117 HG3 GLU 117 206.112 -10.890 6.070 874 HA PRO 118 HA PRO 118 206.541 -7.735 12.433 875 HB2 PRO 118 HB2 PRO 118 204.295 -8.480 13.739 876 HB3 PRO 118 HB3 PRO 118 204.360 -7.049 12.704 877 HG2 PRO 118 HG2 PRO 118 203.298 -9.781 12.094 878 HG3 PRO 118 HG3 PRO 118 202.601 -8.197 11.705 879 HD2 PRO 118 HD2 PRO 118 203.977 -9.686 9.898 880 HD3 PRO 118 HD3 PRO 118 203.958 -7.912 9.869 Start of MODEL 9 1 H GLN 6 H GLN 6 161.842 11.548 8.863 2 HA GLN 6 HA GLN 6 163.184 10.748 7.215 3 HB2 GLN 6 HB2 GLN 6 162.615 13.647 7.266 4 HB3 GLN 6 HB3 GLN 6 163.757 13.131 6.032 5 HG2 GLN 6 HG2 GLN 6 161.793 12.958 4.889 6 HG3 GLN 6 HG3 GLN 6 161.936 11.322 5.533 7 HE21 GLN 6 HE21 GLN 6 160.557 14.490 6.304 8 HE22 GLN 6 HE22 GLN 6 159.131 13.881 7.065 9 H TYR 7 H TYR 7 165.015 10.086 8.775 10 HA TYR 7 HA TYR 7 167.321 11.658 9.056 11 HB2 TYR 7 HB2 TYR 7 166.942 9.690 10.410 12 HB3 TYR 7 HB3 TYR 7 167.025 8.646 9.003 13 HD1 TYR 7 HD1 TYR 7 169.087 11.191 10.810 14 HD2 TYR 7 HD2 TYR 7 169.017 7.542 8.623 15 HE1 TYR 7 HE1 TYR 7 171.499 10.917 11.203 16 HE2 TYR 7 HE2 TYR 7 171.427 7.256 9.011 17 HH TYR 7 HH TYR 7 173.096 8.281 11.064 18 H VAL 8 H VAL 8 169.470 10.981 8.095 19 HA VAL 8 HA VAL 8 169.137 10.837 5.177 20 HB VAL 8 HB VAL 8 170.285 12.831 6.309 21 HG11 VAL 8 HG11 VAL 8 171.743 11.520 7.787 22 HG12 VAL 8 HG12 VAL 8 172.647 12.634 6.761 23 HG13 VAL 8 HG13 VAL 8 172.599 10.914 6.369 24 HG21 VAL 8 HG21 VAL 8 170.449 11.802 3.818 25 HG22 VAL 8 HG22 VAL 8 172.152 11.872 4.273 26 HG23 VAL 8 HG23 VAL 8 171.168 13.333 4.316 27 H VAL 9 H VAL 9 171.339 10.076 4.153 28 HA VAL 9 HA VAL 9 171.587 7.301 4.879 29 HB VAL 9 HB VAL 9 171.485 7.914 2.530 30 HG11 VAL 9 HG11 VAL 9 172.467 9.788 1.857 31 HG12 VAL 9 HG12 VAL 9 174.014 8.949 1.955 32 HG13 VAL 9 HG13 VAL 9 173.427 9.880 3.332 33 HG21 VAL 9 HG21 VAL 9 172.749 5.898 3.204 34 HG22 VAL 9 HG22 VAL 9 174.228 6.859 3.212 35 HG23 VAL 9 HG23 VAL 9 173.345 6.611 1.706 36 HA PRO 10 HA PRO 10 175.214 7.793 7.418 37 HB2 PRO 10 HB2 PRO 10 175.862 5.000 6.812 38 HB3 PRO 10 HB3 PRO 10 175.411 5.733 8.352 39 HG2 PRO 10 HG2 PRO 10 173.767 4.064 7.017 40 HG3 PRO 10 HG3 PRO 10 173.162 5.409 8.001 41 HD2 PRO 10 HD2 PRO 10 173.465 5.222 5.027 42 HD3 PRO 10 HD3 PRO 10 172.148 5.930 5.988 43 H SER 11 H SER 11 177.627 6.815 7.270 44 HA SER 11 HA SER 11 178.563 7.510 4.580 45 HB2 SER 11 HB2 SER 11 179.210 8.931 6.611 46 HB3 SER 11 HB3 SER 11 180.234 7.576 7.080 47 HG SER 11 HG SER 11 181.430 7.848 5.239 48 H ALA 12 H ALA 12 179.303 5.921 3.370 49 HA ALA 12 HA ALA 12 179.899 3.339 4.470 50 HB1 ALA 12 HB1 ALA 12 180.710 3.138 1.908 51 HB2 ALA 12 HB2 ALA 12 179.604 4.507 1.787 52 HB3 ALA 12 HB3 ALA 12 179.033 2.965 2.426 53 H LYS 13 H LYS 13 181.717 3.114 5.605 54 HA LYS 13 HA LYS 13 184.172 4.420 4.718 55 HB2 LYS 13 HB2 LYS 13 183.131 3.902 7.227 56 HB3 LYS 13 HB3 LYS 13 184.365 2.664 7.052 57 HG2 LYS 13 HG2 LYS 13 184.875 5.590 6.590 58 HG3 LYS 13 HG3 LYS 13 185.124 4.781 8.139 59 HD2 LYS 13 HD2 LYS 13 186.534 3.118 6.658 60 HD3 LYS 13 HD3 LYS 13 186.639 4.518 5.588 61 HE2 LYS 13 HE2 LYS 13 188.499 4.824 6.906 62 HE3 LYS 13 HE3 LYS 13 187.299 5.775 7.780 63 HZ1 LYS 13 HZ1 LYS 13 188.030 2.972 8.432 64 HZ2 LYS 13 HZ2 LYS 13 186.976 3.965 9.306 65 HZ3 LYS 13 HZ3 LYS 13 188.626 4.336 9.237 66 H LEU 14 H LEU 14 185.194 3.355 3.136 67 HA LEU 14 HA LEU 14 185.174 0.435 3.121 68 HB2 LEU 14 HB2 LEU 14 186.201 2.373 1.053 69 HB3 LEU 14 HB3 LEU 14 186.084 0.634 0.860 70 HG LEU 14 HG LEU 14 183.526 1.114 1.398 71 HD11 LEU 14 HD11 LEU 14 184.537 3.696 0.220 72 HD12 LEU 14 HD12 LEU 14 183.745 3.476 1.780 73 HD13 LEU 14 HD13 LEU 14 182.841 3.218 0.288 74 HD21 LEU 14 HD21 LEU 14 183.240 0.466 -0.719 75 HD22 LEU 14 HD22 LEU 14 185.000 0.452 -0.824 76 HD23 LEU 14 HD23 LEU 14 184.096 1.869 -1.359 77 H GLU 15 H GLU 15 187.125 -0.746 2.658 78 HA GLU 15 HA GLU 15 189.647 0.544 3.357 79 HB2 GLU 15 HB2 GLU 15 188.481 -1.825 4.830 80 HB3 GLU 15 HB3 GLU 15 190.167 -1.343 4.937 81 HG2 GLU 15 HG2 GLU 15 189.571 -0.085 6.660 82 HG3 GLU 15 HG3 GLU 15 188.799 0.985 5.490 83 H ALA 16 H ALA 16 191.378 -0.337 2.247 84 HA ALA 16 HA ALA 16 190.692 -2.334 0.251 85 HB1 ALA 16 HB1 ALA 16 193.473 -1.535 0.268 86 HB2 ALA 16 HB2 ALA 16 192.390 -0.146 0.288 87 HB3 ALA 16 HB3 ALA 16 192.254 -1.353 -0.991 88 H ILE 17 H ILE 17 190.610 -4.334 1.021 89 HA ILE 17 HA ILE 17 192.330 -5.348 3.051 90 HB ILE 17 HB ILE 17 190.639 -6.973 1.152 91 HG12 ILE 17 HG12 ILE 17 189.232 -5.234 2.106 92 HG13 ILE 17 HG13 ILE 17 188.848 -6.779 2.861 93 HG21 ILE 17 HG21 ILE 17 190.502 -8.186 3.565 94 HG22 ILE 17 HG22 ILE 17 192.127 -7.502 3.636 95 HG23 ILE 17 HG23 ILE 17 191.685 -8.590 2.320 96 HD11 ILE 17 HD11 ILE 17 190.822 -5.642 4.469 97 HD12 ILE 17 HD12 ILE 17 189.100 -5.789 4.821 98 HD13 ILE 17 HD13 ILE 17 189.723 -4.326 4.061 99 H TYR 18 H TYR 18 194.169 -6.505 2.909 100 HA TYR 18 HA TYR 18 195.395 -6.746 0.268 101 HB2 TYR 18 HB2 TYR 18 196.681 -5.645 2.062 102 HB3 TYR 18 HB3 TYR 18 196.592 -7.117 3.023 103 HD1 TYR 18 HD1 TYR 18 197.894 -9.097 2.389 104 HD2 TYR 18 HD2 TYR 18 198.201 -5.460 0.202 105 HE1 TYR 18 HE1 TYR 18 199.964 -9.911 1.338 106 HE2 TYR 18 HE2 TYR 18 200.269 -6.265 -0.857 107 HH TYR 18 HH TYR 18 201.218 -8.837 -1.327 108 HA PRO 19 HA PRO 19 196.786 -7.691 -0.765 109 HB2 PRO 19 HB2 PRO 19 197.357 -9.480 -2.657 110 HB3 PRO 19 HB3 PRO 19 198.197 -9.498 -1.104 111 HG2 PRO 19 HG2 PRO 19 196.091 -11.314 -2.135 112 HG3 PRO 19 HG3 PRO 19 197.401 -11.644 -0.990 113 HD2 PRO 19 HD2 PRO 19 194.678 -11.062 -0.390 114 HD3 PRO 19 HD3 PRO 19 196.014 -11.260 0.756 115 H ARG 20 H ARG 20 193.790 -9.184 -1.044 116 HA ARG 20 HA ARG 20 192.951 -7.403 -3.079 117 HB2 ARG 20 HB2 ARG 20 192.090 -9.235 -4.594 118 HB3 ARG 20 HB3 ARG 20 193.832 -8.989 -4.608 119 HG2 ARG 20 HG2 ARG 20 193.630 -10.870 -2.689 120 HG3 ARG 20 HG3 ARG 20 192.250 -11.298 -3.704 121 HD2 ARG 20 HD2 ARG 20 193.554 -11.947 -5.433 122 HD3 ARG 20 HD3 ARG 20 194.766 -10.704 -5.124 123 HE ARG 20 HE ARG 20 195.951 -12.243 -3.934 124 HH11 ARG 20 HH11 ARG 20 192.635 -13.316 -4.109 125 HH12 ARG 20 HH12 ARG 20 192.954 -14.833 -3.337 126 HH21 ARG 20 HH21 ARG 20 196.372 -14.238 -2.918 127 HH22 ARG 20 HH22 ARG 20 195.076 -15.356 -2.659 128 H GLY 21 H GLY 21 191.403 -6.695 -1.674 129 HA2 GLY 21 HA2 GLY 21 188.995 -8.204 -1.547 130 HA3 GLY 21 HA3 GLY 21 189.785 -8.159 0.009 131 H LEU 22 H LEU 22 187.615 -7.077 0.457 132 HA LEU 22 HA LEU 22 188.068 -4.231 0.561 133 HB2 LEU 22 HB2 LEU 22 187.029 -4.125 -1.518 134 HB3 LEU 22 HB3 LEU 22 185.938 -5.446 -1.154 135 HG LEU 22 HG LEU 22 184.698 -3.955 0.398 136 HD11 LEU 22 HD11 LEU 22 186.943 -2.385 0.310 137 HD12 LEU 22 HD12 LEU 22 185.374 -1.906 0.954 138 HD13 LEU 22 HD13 LEU 22 185.807 -1.498 -0.707 139 HD21 LEU 22 HD21 LEU 22 183.446 -2.937 -1.268 140 HD22 LEU 22 HD22 LEU 22 184.242 -4.257 -2.123 141 HD23 LEU 22 HD23 LEU 22 184.860 -2.611 -2.272 142 H ARG 23 H ARG 23 186.844 -3.184 2.135 143 HA ARG 23 HA ARG 23 184.879 -4.739 3.628 144 HB2 ARG 23 HB2 ARG 23 187.485 -4.675 4.500 145 HB3 ARG 23 HB3 ARG 23 186.761 -3.347 5.394 146 HG2 ARG 23 HG2 ARG 23 184.914 -5.059 5.977 147 HG3 ARG 23 HG3 ARG 23 186.108 -6.261 5.484 148 HD2 ARG 23 HD2 ARG 23 186.625 -4.113 7.530 149 HD3 ARG 23 HD3 ARG 23 186.089 -5.744 7.934 150 HE ARG 23 HE ARG 23 188.247 -6.318 6.540 151 HH11 ARG 23 HH11 ARG 23 187.812 -3.818 8.945 152 HH12 ARG 23 HH12 ARG 23 189.476 -3.823 9.423 153 HH21 ARG 23 HH21 ARG 23 190.429 -6.321 7.175 154 HH22 ARG 23 HH22 ARG 23 190.961 -5.241 8.419 155 H VAL 24 H VAL 24 183.172 -3.408 3.450 156 HA VAL 24 HA VAL 24 183.583 -0.528 3.908 157 HB VAL 24 HB VAL 24 181.184 -1.829 2.624 158 HG11 VAL 24 HG11 VAL 24 180.473 0.252 3.313 159 HG12 VAL 24 HG12 VAL 24 181.063 0.602 1.688 160 HG13 VAL 24 HG13 VAL 24 182.061 0.986 3.092 161 HG21 VAL 24 HG21 VAL 24 183.756 -0.858 1.450 162 HG22 VAL 24 HG22 VAL 24 182.260 -0.751 0.522 163 HG23 VAL 24 HG23 VAL 24 182.838 -2.319 1.084 164 H SER 25 H SER 25 181.935 0.636 5.122 165 HA SER 25 HA SER 25 180.114 -0.896 6.759 166 HB2 SER 25 HB2 SER 25 181.888 0.802 8.411 167 HB3 SER 25 HB3 SER 25 181.150 -0.756 8.781 168 HG SER 25 HG SER 25 183.115 -1.450 8.455 169 H ILE 26 H ILE 26 178.504 0.327 7.730 170 HA ILE 26 HA ILE 26 178.579 3.249 7.363 171 HB ILE 26 HB ILE 26 176.144 3.090 6.607 172 HG12 ILE 26 HG12 ILE 26 176.626 0.559 5.255 173 HG13 ILE 26 HG13 ILE 26 176.576 0.379 7.003 174 HG21 ILE 26 HG21 ILE 26 178.213 3.668 5.235 175 HG22 ILE 26 HG22 ILE 26 176.755 3.200 4.365 176 HG23 ILE 26 HG23 ILE 26 178.071 2.042 4.570 177 HD11 ILE 26 HD11 ILE 26 174.387 1.201 7.132 178 HD12 ILE 26 HD12 ILE 26 174.396 0.095 5.758 179 HD13 ILE 26 HD13 ILE 26 174.442 1.837 5.489 180 HA PRO 27 HA PRO 27 176.881 2.975 11.510 181 HB2 PRO 27 HB2 PRO 27 176.002 5.754 11.019 182 HB3 PRO 27 HB3 PRO 27 177.059 5.121 12.283 183 HG2 PRO 27 HG2 PRO 27 178.027 6.583 10.257 184 HG3 PRO 27 HG3 PRO 27 178.943 5.231 10.949 185 HD2 PRO 27 HD2 PRO 27 177.356 5.347 8.414 186 HD3 PRO 27 HD3 PRO 27 178.918 4.565 8.730 187 H ASP 28 H ASP 28 175.132 1.648 11.293 188 HA ASP 28 HA ASP 28 172.824 2.262 9.780 189 HB2 ASP 28 HB2 ASP 28 173.441 -0.042 10.260 190 HB3 ASP 28 HB3 ASP 28 173.235 0.236 11.984 191 H ASP 29 H ASP 29 170.749 2.760 10.443 192 HA ASP 29 HA ASP 29 170.443 3.844 13.152 193 HB2 ASP 29 HB2 ASP 29 170.835 5.630 11.336 194 HB3 ASP 29 HB3 ASP 29 169.235 5.198 10.745 195 H GLY 30 H GLY 30 169.697 1.334 12.380 196 HA2 GLY 30 HA2 GLY 30 167.912 -0.068 12.666 197 HA3 GLY 30 HA3 GLY 30 166.934 1.350 12.977 198 H PHE 31 H PHE 31 168.789 0.431 10.095 199 HA PHE 31 HA PHE 31 166.464 0.997 8.453 200 HB2 PHE 31 HB2 PHE 31 169.174 0.043 7.525 201 HB3 PHE 31 HB3 PHE 31 167.932 0.830 6.559 202 HD1 PHE 31 HD1 PHE 31 167.149 3.094 8.175 203 HD2 PHE 31 HD2 PHE 31 171.011 1.425 7.557 204 HE1 PHE 31 HE1 PHE 31 168.165 5.282 8.656 205 HE2 PHE 31 HE2 PHE 31 172.036 3.607 8.040 206 HZ PHE 31 HZ PHE 31 170.613 5.540 8.591 207 H SER 32 H SER 32 166.678 -0.637 6.371 208 HA SER 32 HA SER 32 166.404 -3.357 7.431 209 HB2 SER 32 HB2 SER 32 164.439 -3.718 6.034 210 HB3 SER 32 HB3 SER 32 164.162 -2.332 7.086 211 HG SER 32 HG SER 32 163.525 -1.811 5.001 212 H LEU 33 H LEU 33 167.311 -1.221 4.794 213 HA LEU 33 HA LEU 33 168.782 -3.496 3.653 214 HB2 LEU 33 HB2 LEU 33 166.524 -3.035 2.435 215 HB3 LEU 33 HB3 LEU 33 167.373 -1.657 1.782 216 HG LEU 33 HG LEU 33 169.178 -3.296 1.038 217 HD11 LEU 33 HD11 LEU 33 168.813 -5.536 1.039 218 HD12 LEU 33 HD12 LEU 33 167.058 -5.367 0.969 219 HD13 LEU 33 HD13 LEU 33 167.910 -5.116 2.494 220 HD21 LEU 33 HD21 LEU 33 168.263 -3.319 -1.033 221 HD22 LEU 33 HD22 LEU 33 167.145 -2.186 -0.270 222 HD23 LEU 33 HD23 LEU 33 166.692 -3.879 -0.457 223 H PHE 34 H PHE 34 170.692 -3.030 2.742 224 HA PHE 34 HA PHE 34 171.426 -0.220 2.366 225 HB2 PHE 34 HB2 PHE 34 172.340 -1.022 4.533 226 HB3 PHE 34 HB3 PHE 34 173.218 -2.273 3.665 227 HD1 PHE 34 HD1 PHE 34 172.717 1.419 3.381 228 HD2 PHE 34 HD2 PHE 34 175.424 -1.858 3.268 229 HE1 PHE 34 HE1 PHE 34 174.575 2.974 2.956 230 HE2 PHE 34 HE2 PHE 34 177.288 -0.309 2.844 231 HZ PHE 34 HZ PHE 34 176.864 2.107 2.689 232 H ALA 35 H ALA 35 171.501 -0.251 0.175 233 HA ALA 35 HA ALA 35 172.994 -2.387 -1.153 234 HB1 ALA 35 HB1 ALA 35 170.862 -0.521 -1.970 235 HB2 ALA 35 HB2 ALA 35 171.139 -2.202 -2.427 236 HB3 ALA 35 HB3 ALA 35 172.066 -0.915 -3.197 237 H PHE 36 H PHE 36 175.085 -2.057 -1.559 238 HA PHE 36 HA PHE 36 176.047 0.713 -1.771 239 HB2 PHE 36 HB2 PHE 36 177.100 -0.649 -0.023 240 HB3 PHE 36 HB3 PHE 36 177.564 -1.845 -1.228 241 HD1 PHE 36 HD1 PHE 36 177.810 1.879 -1.133 242 HD2 PHE 36 HD2 PHE 36 179.835 -1.847 -1.479 243 HE1 PHE 36 HE1 PHE 36 179.932 3.070 -1.502 244 HE2 PHE 36 HE2 PHE 36 181.959 -0.664 -1.848 245 HZ PHE 36 HZ PHE 36 182.009 1.797 -1.857 246 H HIS 37 H HIS 37 176.490 1.467 -3.708 247 HA HIS 37 HA HIS 37 177.220 -0.390 -5.866 248 HB2 HIS 37 HB2 HIS 37 175.197 1.629 -5.641 249 HB3 HIS 37 HB3 HIS 37 176.343 2.099 -6.879 250 HD1 HIS 37 HD1 HIS 37 175.693 -1.525 -6.395 251 HD2 HIS 37 HD2 HIS 37 174.367 1.556 -8.847 252 HE1 HIS 37 HE1 HIS 37 174.400 -2.642 -8.239 253 HE2 HIS 37 HE2 HIS 37 173.525 -0.751 -9.654 254 H GLY 38 H GLY 38 179.258 -0.054 -6.758 255 HA2 GLY 38 HA2 GLY 38 180.376 2.628 -6.661 256 HA3 GLY 38 HA3 GLY 38 181.199 1.443 -5.663 257 H LYS 39 H LYS 39 181.664 3.053 -8.284 258 HA LYS 39 HA LYS 39 182.664 0.809 -9.898 259 HB2 LYS 39 HB2 LYS 39 181.131 2.396 -11.042 260 HB3 LYS 39 HB3 LYS 39 182.266 3.697 -10.709 261 HG2 LYS 39 HG2 LYS 39 183.740 3.010 -12.298 262 HG3 LYS 39 HG3 LYS 39 183.291 1.312 -12.139 263 HD2 LYS 39 HD2 LYS 39 182.585 2.239 -14.296 264 HD3 LYS 39 HD3 LYS 39 181.203 1.736 -13.320 265 HE2 LYS 39 HE2 LYS 39 181.360 4.287 -12.542 266 HE3 LYS 39 HE3 LYS 39 182.070 4.446 -14.147 267 HZ1 LYS 39 HZ1 LYS 39 179.917 4.669 -14.724 268 HZ2 LYS 39 HZ2 LYS 39 179.336 3.818 -13.382 269 HZ3 LYS 39 HZ3 LYS 39 179.942 2.977 -14.719 270 H LEU 40 H LEU 40 184.827 0.751 -10.505 271 HA LEU 40 HA LEU 40 186.580 2.394 -8.835 272 HB2 LEU 40 HB2 LEU 40 186.844 -0.008 -8.637 273 HB3 LEU 40 HB3 LEU 40 187.111 -0.148 -10.364 274 HG LEU 40 HG LEU 40 189.136 1.441 -9.912 275 HD11 LEU 40 HD11 LEU 40 190.130 1.070 -7.693 276 HD12 LEU 40 HD12 LEU 40 188.655 0.245 -7.189 277 HD13 LEU 40 HD13 LEU 40 188.607 1.956 -7.608 278 HD21 LEU 40 HD21 LEU 40 189.617 -0.672 -10.746 279 HD22 LEU 40 HD22 LEU 40 188.925 -1.492 -9.345 280 HD23 LEU 40 HD23 LEU 40 190.470 -0.653 -9.203 281 H ASN 41 H ASN 41 187.736 3.992 -9.642 282 HA ASN 41 HA ASN 41 188.827 5.373 -11.074 283 HB2 ASN 41 HB2 ASN 41 189.725 2.908 -11.735 284 HB3 ASN 41 HB3 ASN 41 189.017 3.399 -13.272 285 HD21 ASN 41 HD21 ASN 41 190.788 5.130 -10.729 286 HD22 ASN 41 HD22 ASN 41 192.002 5.771 -11.777 287 H GLU 42 H GLU 42 186.163 5.728 -11.082 288 HA GLU 42 HA GLU 42 185.644 7.128 -13.393 289 HB2 GLU 42 HB2 GLU 42 185.523 4.799 -14.398 290 HB3 GLU 42 HB3 GLU 42 184.078 4.554 -13.428 291 HG2 GLU 42 HG2 GLU 42 182.947 6.339 -14.543 292 HG3 GLU 42 HG3 GLU 42 184.415 6.787 -15.407 293 H GLU 43 H GLU 43 184.564 8.647 -12.413 294 HA GLU 43 HA GLU 43 183.049 8.446 -10.105 295 HB2 GLU 43 HB2 GLU 43 182.650 10.490 -12.290 296 HB3 GLU 43 HB3 GLU 43 182.215 10.662 -10.595 297 HG2 GLU 43 HG2 GLU 43 184.540 10.601 -9.960 298 HG3 GLU 43 HG3 GLU 43 185.002 10.331 -11.631 299 H MET 44 H MET 44 180.685 9.499 -10.269 300 HA MET 44 HA MET 44 179.039 8.079 -12.202 301 HB2 MET 44 HB2 MET 44 178.585 7.790 -9.228 302 HB3 MET 44 HB3 MET 44 177.617 7.075 -10.510 303 HG2 MET 44 HG2 MET 44 180.153 6.167 -11.050 304 HG3 MET 44 HG3 MET 44 180.082 6.153 -9.293 305 HE1 MET 44 HE1 MET 44 179.669 3.444 -8.513 306 HE2 MET 44 HE2 MET 44 177.916 3.387 -8.318 307 HE3 MET 44 HE3 MET 44 178.802 4.857 -7.910 308 H ASP 45 H ASP 45 176.844 8.850 -12.247 309 HA ASP 45 HA ASP 45 176.278 11.293 -10.771 310 HB2 ASP 45 HB2 ASP 45 177.454 11.871 -12.933 311 HB3 ASP 45 HB3 ASP 45 176.065 11.210 -13.778 312 H GLY 46 H GLY 46 175.151 8.837 -10.402 313 HA2 GLY 46 HA2 GLY 46 172.461 9.270 -10.363 314 HA3 GLY 46 HA3 GLY 46 172.779 8.471 -11.893 315 H LEU 47 H LEU 47 172.038 6.445 -11.614 316 HA LEU 47 HA LEU 47 173.092 4.938 -9.339 317 HB2 LEU 47 HB2 LEU 47 170.428 4.603 -10.702 318 HB3 LEU 47 HB3 LEU 47 171.009 3.735 -9.306 319 HG LEU 47 HG LEU 47 170.694 6.714 -9.273 320 HD11 LEU 47 HD11 LEU 47 168.488 6.594 -8.636 321 HD12 LEU 47 HD12 LEU 47 168.614 4.913 -8.115 322 HD13 LEU 47 HD13 LEU 47 168.559 5.303 -9.834 323 HD21 LEU 47 HD21 LEU 47 170.394 4.929 -6.910 324 HD22 LEU 47 HD22 LEU 47 171.010 6.578 -7.014 325 HD23 LEU 47 HD23 LEU 47 172.012 5.227 -7.546 326 H GLU 48 H GLU 48 174.849 4.490 -10.888 327 HA GLU 48 HA GLU 48 174.140 2.608 -13.018 328 HB2 GLU 48 HB2 GLU 48 176.593 4.230 -12.409 329 HB3 GLU 48 HB3 GLU 48 176.679 2.853 -13.499 330 HG2 GLU 48 HG2 GLU 48 174.548 4.171 -14.517 331 HG3 GLU 48 HG3 GLU 48 175.507 5.513 -13.896 332 H ALA 49 H ALA 49 174.980 0.535 -13.131 333 HA ALA 49 HA ALA 49 175.158 -0.961 -10.852 334 HB1 ALA 49 HB1 ALA 49 176.356 -1.497 -13.556 335 HB2 ALA 49 HB2 ALA 49 174.788 -2.026 -12.947 336 HB3 ALA 49 HB3 ALA 49 176.270 -2.694 -12.263 337 H GLY 50 H GLY 50 177.774 0.694 -12.533 338 HA2 GLY 50 HA2 GLY 50 179.968 1.056 -11.951 339 HA3 GLY 50 HA3 GLY 50 179.408 0.933 -10.290 340 H HIS 51 H HIS 51 180.224 -0.665 -9.106 341 HA HIS 51 HA HIS 51 180.953 -3.174 -10.376 342 HB2 HIS 51 HB2 HIS 51 182.984 -1.664 -10.389 343 HB3 HIS 51 HB3 HIS 51 182.950 -1.734 -8.630 344 HD1 HIS 51 HD1 HIS 51 183.000 -4.254 -11.490 345 HD2 HIS 51 HD2 HIS 51 184.552 -3.683 -7.678 346 HE1 HIS 51 HE1 HIS 51 184.498 -6.231 -11.070 347 HE2 HIS 51 HE2 HIS 51 185.350 -5.912 -8.721 348 H TRP 52 H TRP 52 181.696 -1.739 -7.207 349 HA TRP 52 HA TRP 52 180.981 -4.068 -5.791 350 HB2 TRP 52 HB2 TRP 52 181.239 -1.201 -4.856 351 HB3 TRP 52 HB3 TRP 52 181.063 -2.586 -3.782 352 HD1 TRP 52 HD1 TRP 52 183.124 -4.518 -4.127 353 HE1 TRP 52 HE1 TRP 52 185.643 -4.066 -4.394 354 HE3 TRP 52 HE3 TRP 52 182.917 0.361 -5.643 355 HZ2 TRP 52 HZ2 TRP 52 187.319 -1.925 -5.148 356 HZ3 TRP 52 HZ3 TRP 52 185.028 1.537 -6.120 357 HH2 TRP 52 HH2 TRP 52 187.181 0.416 -5.876 358 H ALA 53 H ALA 53 178.957 -4.835 -6.075 359 HA ALA 53 HA ALA 53 176.708 -3.008 -5.542 360 HB1 ALA 53 HB1 ALA 53 176.360 -5.574 -7.030 361 HB2 ALA 53 HB2 ALA 53 176.989 -4.153 -7.862 362 HB3 ALA 53 HB3 ALA 53 175.398 -4.099 -7.100 363 H ARG 54 H ARG 54 177.129 -3.487 -3.263 364 HA ARG 54 HA ARG 54 176.409 -6.175 -2.393 365 HB2 ARG 54 HB2 ARG 54 178.236 -5.564 -1.176 366 HB3 ARG 54 HB3 ARG 54 177.845 -3.858 -1.231 367 HG2 ARG 54 HG2 ARG 54 176.109 -5.641 0.397 368 HG3 ARG 54 HG3 ARG 54 177.713 -5.246 1.009 369 HD2 ARG 54 HD2 ARG 54 176.631 -2.829 0.102 370 HD3 ARG 54 HD3 ARG 54 175.324 -3.640 0.955 371 HE ARG 54 HE ARG 54 176.484 -3.393 2.934 372 HH11 ARG 54 HH11 ARG 54 178.556 -2.532 0.262 373 HH12 ARG 54 HH12 ARG 54 179.729 -1.745 1.264 374 HH21 ARG 54 HH21 ARG 54 178.032 -2.376 4.252 375 HH22 ARG 54 HH22 ARG 54 179.435 -1.662 3.530 376 H ASP 55 H ASP 55 174.330 -6.593 -2.056 377 HA ASP 55 HA ASP 55 172.568 -4.460 -1.064 378 HB2 ASP 55 HB2 ASP 55 170.765 -6.032 -1.967 379 HB3 ASP 55 HB3 ASP 55 171.747 -5.187 -3.153 380 H ILE 56 H ILE 56 172.837 -4.726 1.148 381 HA ILE 56 HA ILE 56 172.355 -7.413 2.239 382 HB ILE 56 HB ILE 56 173.295 -5.063 3.858 383 HG12 ILE 56 HG12 ILE 56 175.033 -6.985 2.292 384 HG13 ILE 56 HG13 ILE 56 174.806 -5.277 1.922 385 HG21 ILE 56 HG21 ILE 56 172.993 -7.956 4.230 386 HG22 ILE 56 HG22 ILE 56 172.993 -6.650 5.416 387 HG23 ILE 56 HG23 ILE 56 174.521 -7.293 4.813 388 HD11 ILE 56 HD11 ILE 56 175.740 -4.791 4.212 389 HD12 ILE 56 HD12 ILE 56 176.870 -5.451 3.030 390 HD13 ILE 56 HD13 ILE 56 176.196 -6.493 4.284 391 H THR 57 H THR 57 170.908 -7.705 4.001 392 HA THR 57 HA THR 57 168.838 -5.615 4.197 393 HB THR 57 HB THR 57 167.136 -7.253 4.228 394 HG1 THR 57 HG1 THR 57 169.118 -9.272 4.331 395 HG21 THR 57 HG21 THR 57 169.008 -7.323 2.072 396 HG22 THR 57 HG22 THR 57 167.257 -7.525 2.042 397 HG23 THR 57 HG23 THR 57 168.303 -8.920 2.308 398 H LYS 58 H LYS 58 171.141 -7.365 5.910 399 HA LYS 58 HA LYS 58 169.839 -6.641 8.437 400 HB2 LYS 58 HB2 LYS 58 170.321 -9.290 7.522 401 HB3 LYS 58 HB3 LYS 58 171.417 -8.982 8.861 402 HG2 LYS 58 HG2 LYS 58 169.711 -8.711 10.377 403 HG3 LYS 58 HG3 LYS 58 168.537 -8.266 9.136 404 HD2 LYS 58 HD2 LYS 58 167.991 -10.412 8.707 405 HD3 LYS 58 HD3 LYS 58 169.653 -10.976 8.889 406 HE2 LYS 58 HE2 LYS 58 168.916 -11.902 10.793 407 HE3 LYS 58 HE3 LYS 58 169.026 -10.267 11.445 408 HZ1 LYS 58 HZ1 LYS 58 166.761 -9.943 11.242 409 HZ2 LYS 58 HZ2 LYS 58 166.846 -11.562 11.726 410 HZ3 LYS 58 HZ3 LYS 58 166.564 -11.179 10.103 411 HA PRO 59 HA PRO 59 173.783 -4.535 8.891 412 HB2 PRO 59 HB2 PRO 59 172.879 -4.362 11.713 413 HB3 PRO 59 HB3 PRO 59 173.399 -3.075 10.621 414 HG2 PRO 59 HG2 PRO 59 170.824 -3.386 11.247 415 HG3 PRO 59 HG3 PRO 59 171.318 -2.914 9.612 416 HD2 PRO 59 HD2 PRO 59 170.409 -5.577 10.627 417 HD3 PRO 59 HD3 PRO 59 170.066 -4.783 9.075 418 H LYS 60 H LYS 60 175.265 -4.532 11.130 419 HA LYS 60 HA LYS 60 175.836 -7.384 11.649 420 HB2 LYS 60 HB2 LYS 60 177.494 -6.063 10.191 421 HB3 LYS 60 HB3 LYS 60 177.922 -5.211 11.667 422 HG2 LYS 60 HG2 LYS 60 179.460 -6.819 11.882 423 HG3 LYS 60 HG3 LYS 60 178.113 -7.787 12.486 424 HD2 LYS 60 HD2 LYS 60 177.732 -8.404 10.013 425 HD3 LYS 60 HD3 LYS 60 179.369 -7.794 9.761 426 HE2 LYS 60 HE2 LYS 60 179.826 -9.999 10.158 427 HE3 LYS 60 HE3 LYS 60 179.904 -9.370 11.803 428 HZ1 LYS 60 HZ1 LYS 60 177.357 -9.972 11.728 429 HZ2 LYS 60 HZ2 LYS 60 178.526 -11.128 12.125 430 HZ3 LYS 60 HZ3 LYS 60 177.884 -11.080 10.560 431 H GLU 61 H GLU 61 176.074 -4.092 12.892 432 HA GLU 61 HA GLU 61 175.088 -4.662 15.420 433 HB2 GLU 61 HB2 GLU 61 177.463 -5.791 15.424 434 HB3 GLU 61 HB3 GLU 61 178.026 -4.142 15.659 435 HG2 GLU 61 HG2 GLU 61 177.806 -4.645 17.828 436 HG3 GLU 61 HG3 GLU 61 176.107 -4.264 17.545 437 H GLY 62 H GLY 62 173.983 -2.815 14.710 438 HA2 GLY 62 HA2 GLY 62 173.561 -0.550 14.916 439 HA3 GLY 62 HA3 GLY 62 175.167 -0.358 15.614 440 H ARG 63 H ARG 63 175.823 -2.050 12.977 441 HA ARG 63 HA ARG 63 175.581 -0.030 10.938 442 HB2 ARG 63 HB2 ARG 63 178.128 -0.017 10.598 443 HB3 ARG 63 HB3 ARG 63 177.472 0.975 11.893 444 HG2 ARG 63 HG2 ARG 63 178.070 -1.646 12.888 445 HG3 ARG 63 HG3 ARG 63 179.478 -0.976 12.061 446 HD2 ARG 63 HD2 ARG 63 177.913 0.614 14.071 447 HD3 ARG 63 HD3 ARG 63 179.207 -0.478 14.558 448 HE ARG 63 HE ARG 63 180.385 1.050 12.671 449 HH11 ARG 63 HH11 ARG 63 178.540 1.818 15.531 450 HH12 ARG 63 HH12 ARG 63 179.364 3.314 15.813 451 HH21 ARG 63 HH21 ARG 63 181.471 3.017 13.040 452 HH22 ARG 63 HH22 ARG 63 181.029 3.996 14.399 453 H TRP 64 H TRP 64 176.097 -0.826 8.846 454 HA TRP 64 HA TRP 64 176.064 -3.719 8.708 455 HB2 TRP 64 HB2 TRP 64 176.015 -1.798 6.401 456 HB3 TRP 64 HB3 TRP 64 175.494 -3.461 6.425 457 HD1 TRP 64 HD1 TRP 64 174.421 -0.317 8.462 458 HE1 TRP 64 HE1 TRP 64 171.854 -0.281 8.526 459 HE3 TRP 64 HE3 TRP 64 173.468 -4.548 5.751 460 HZ2 TRP 64 HZ2 TRP 64 169.706 -1.825 7.552 461 HZ3 TRP 64 HZ3 TRP 64 171.126 -5.196 5.368 462 HH2 TRP 64 HH2 TRP 64 169.279 -3.860 6.256 463 H THR 65 H THR 65 177.530 -4.913 7.501 464 HA THR 65 HA THR 65 180.060 -3.600 6.820 465 HB THR 65 HB THR 65 180.060 -6.257 8.218 466 HG1 THR 65 HG1 THR 65 179.997 -3.686 9.397 467 HG21 THR 65 HG21 THR 65 182.081 -4.119 7.706 468 HG22 THR 65 HG22 THR 65 182.180 -5.851 7.392 469 HG23 THR 65 HG23 THR 65 182.275 -5.249 9.047 470 H PHE 66 H PHE 66 180.655 -4.077 4.826 471 HA PHE 66 HA PHE 66 179.684 -6.586 3.624 472 HB2 PHE 66 HB2 PHE 66 178.838 -4.729 2.378 473 HB3 PHE 66 HB3 PHE 66 180.406 -3.930 2.374 474 HD1 PHE 66 HD1 PHE 66 178.957 -7.210 1.320 475 HD2 PHE 66 HD2 PHE 66 181.545 -3.961 0.392 476 HE1 PHE 66 HE1 PHE 66 179.462 -8.240 -0.855 477 HE2 PHE 66 HE2 PHE 66 182.055 -4.987 -1.786 478 HZ PHE 66 HZ PHE 66 181.012 -7.127 -2.412 479 H ARG 67 H ARG 67 181.164 -7.763 2.256 480 HA ARG 67 HA ARG 67 183.988 -7.072 2.519 481 HB2 ARG 67 HB2 ARG 67 182.666 -9.209 3.962 482 HB3 ARG 67 HB3 ARG 67 183.947 -9.835 2.932 483 HG2 ARG 67 HG2 ARG 67 185.282 -7.818 4.026 484 HG3 ARG 67 HG3 ARG 67 184.106 -8.088 5.315 485 HD2 ARG 67 HD2 ARG 67 184.858 -10.628 4.790 486 HD3 ARG 67 HD3 ARG 67 186.348 -9.770 4.402 487 HE ARG 67 HE ARG 67 186.681 -9.532 6.635 488 HH11 ARG 67 HH11 ARG 67 183.249 -9.861 6.095 489 HH12 ARG 67 HH12 ARG 67 182.852 -9.813 7.779 490 HH21 ARG 67 HH21 ARG 67 186.160 -9.471 8.853 491 HH22 ARG 67 HH22 ARG 67 184.505 -9.592 9.345 492 H ASP 68 H ASP 68 184.856 -7.148 0.575 493 HA ASP 68 HA ASP 68 183.885 -9.177 -1.331 494 HB2 ASP 68 HB2 ASP 68 183.572 -6.502 -1.664 495 HB3 ASP 68 HB3 ASP 68 185.134 -6.737 -2.439 496 H ARG 69 H ARG 69 185.443 -10.704 -1.080 497 HA ARG 69 HA ARG 69 188.249 -9.953 -1.036 498 HB2 ARG 69 HB2 ARG 69 188.658 -12.348 -0.662 499 HB3 ARG 69 HB3 ARG 69 187.503 -11.692 0.489 500 HG2 ARG 69 HG2 ARG 69 186.120 -12.714 -1.805 501 HG3 ARG 69 HG3 ARG 69 187.207 -13.941 -1.150 502 HD2 ARG 69 HD2 ARG 69 185.503 -12.388 0.733 503 HD3 ARG 69 HD3 ARG 69 184.750 -13.654 -0.236 504 HE ARG 69 HE ARG 69 186.362 -14.031 2.044 505 HH11 ARG 69 HH11 ARG 69 185.808 -15.372 -1.129 506 HH12 ARG 69 HH12 ARG 69 186.307 -16.968 -0.679 507 HH21 ARG 69 HH21 ARG 69 187.022 -16.127 2.639 508 HH22 ARG 69 HH22 ARG 69 186.997 -17.397 1.460 509 H ASN 70 H ASN 70 186.498 -9.676 -3.488 510 HA ASN 70 HA ASN 70 188.279 -11.138 -5.310 511 HB2 ASN 70 HB2 ASN 70 185.352 -11.259 -5.137 512 HB3 ASN 70 HB3 ASN 70 185.955 -10.934 -6.760 513 HD21 ASN 70 HD21 ASN 70 186.833 -13.005 -4.010 514 HD22 ASN 70 HD22 ASN 70 187.046 -14.442 -4.944 515 H ALA 71 H ALA 71 188.271 -8.370 -4.290 516 HA ALA 71 HA ALA 71 187.711 -6.875 -6.756 517 HB1 ALA 71 HB1 ALA 71 186.837 -6.205 -4.385 518 HB2 ALA 71 HB2 ALA 71 187.422 -4.969 -5.499 519 HB3 ALA 71 HB3 ALA 71 188.460 -5.544 -4.194 520 H LYS 72 H LYS 72 189.472 -7.100 -8.037 521 HA LYS 72 HA LYS 72 192.142 -7.136 -7.016 522 HB2 LYS 72 HB2 LYS 72 191.257 -8.206 -9.181 523 HB3 LYS 72 HB3 LYS 72 191.386 -6.599 -9.880 524 HG2 LYS 72 HG2 LYS 72 193.396 -7.526 -10.480 525 HG3 LYS 72 HG3 LYS 72 193.828 -6.703 -8.979 526 HD2 LYS 72 HD2 LYS 72 193.179 -9.015 -7.906 527 HD3 LYS 72 HD3 LYS 72 193.514 -9.618 -9.532 528 HE2 LYS 72 HE2 LYS 72 195.736 -8.482 -9.408 529 HE3 LYS 72 HE3 LYS 72 195.388 -8.103 -7.720 530 HZ1 LYS 72 HZ1 LYS 72 196.629 -10.051 -7.633 531 HZ2 LYS 72 HZ2 LYS 72 195.839 -10.748 -8.957 532 HZ3 LYS 72 HZ3 LYS 72 195.037 -10.603 -7.475 533 H LEU 73 H LEU 73 191.945 -5.133 -5.772 534 HA LEU 73 HA LEU 73 191.968 -2.661 -7.310 535 HB2 LEU 73 HB2 LEU 73 192.160 -3.114 -4.331 536 HB3 LEU 73 HB3 LEU 73 192.001 -1.556 -5.119 537 HG LEU 73 HG LEU 73 189.928 -3.735 -5.320 538 HD11 LEU 73 HD11 LEU 73 188.767 -1.865 -3.787 539 HD12 LEU 73 HD12 LEU 73 190.433 -1.713 -3.233 540 HD13 LEU 73 HD13 LEU 73 189.610 -3.268 -3.135 541 HD21 LEU 73 HD21 LEU 73 189.249 -0.898 -5.685 542 HD22 LEU 73 HD22 LEU 73 188.708 -2.321 -6.574 543 HD23 LEU 73 HD23 LEU 73 190.277 -1.600 -6.935 544 H LYS 74 H LYS 74 193.701 -1.298 -7.503 545 HA LYS 74 HA LYS 74 196.269 -2.274 -6.445 546 HB2 LYS 74 HB2 LYS 74 195.615 -2.345 -9.084 547 HB3 LYS 74 HB3 LYS 74 196.360 -0.757 -8.975 548 HG2 LYS 74 HG2 LYS 74 198.236 -1.927 -9.384 549 HG3 LYS 74 HG3 LYS 74 198.186 -2.196 -7.640 550 HD2 LYS 74 HD2 LYS 74 197.368 -4.362 -7.870 551 HD3 LYS 74 HD3 LYS 74 196.784 -4.068 -9.510 552 HE2 LYS 74 HE2 LYS 74 198.791 -4.506 -10.444 553 HE3 LYS 74 HE3 LYS 74 199.685 -3.758 -9.121 554 HZ1 LYS 74 HZ1 LYS 74 200.063 -6.150 -9.243 555 HZ2 LYS 74 HZ2 LYS 74 198.410 -6.439 -9.026 556 HZ3 LYS 74 HZ3 LYS 74 199.314 -5.724 -7.788 557 H LEU 75 H LEU 75 197.762 -0.728 -5.811 558 HA LEU 75 HA LEU 75 196.810 1.570 -4.606 559 HB2 LEU 75 HB2 LEU 75 199.367 0.329 -5.063 560 HB3 LEU 75 HB3 LEU 75 199.514 2.066 -5.237 561 HG LEU 75 HG LEU 75 197.998 1.525 -2.876 562 HD11 LEU 75 HD11 LEU 75 198.853 -0.507 -2.364 563 HD12 LEU 75 HD12 LEU 75 200.187 0.479 -1.763 564 HD13 LEU 75 HD13 LEU 75 200.293 -0.274 -3.354 565 HD21 LEU 75 HD21 LEU 75 200.692 2.716 -3.477 566 HD22 LEU 75 HD22 LEU 75 200.031 2.641 -1.843 567 HD23 LEU 75 HD23 LEU 75 199.184 3.549 -3.095 568 H GLY 76 H GLY 76 196.812 3.733 -5.082 569 HA2 GLY 76 HA2 GLY 76 197.205 5.635 -6.430 570 HA3 GLY 76 HA3 GLY 76 197.594 4.569 -7.772 571 H ASP 77 H ASP 77 195.268 2.908 -7.487 572 HA ASP 77 HA ASP 77 193.498 4.295 -9.134 573 HB2 ASP 77 HB2 ASP 77 193.776 1.798 -8.981 574 HB3 ASP 77 HB3 ASP 77 192.847 1.848 -7.491 575 H LYS 78 H LYS 78 191.391 5.081 -8.756 576 HA LYS 78 HA LYS 78 190.938 5.945 -5.976 577 HB2 LYS 78 HB2 LYS 78 191.275 7.626 -7.914 578 HB3 LYS 78 HB3 LYS 78 189.645 7.175 -8.401 579 HG2 LYS 78 HG2 LYS 78 188.689 8.326 -6.725 580 HG3 LYS 78 HG3 LYS 78 189.946 7.889 -5.566 581 HD2 LYS 78 HD2 LYS 78 191.445 9.505 -6.881 582 HD3 LYS 78 HD3 LYS 78 189.947 10.102 -7.596 583 HE2 LYS 78 HE2 LYS 78 189.088 10.685 -5.420 584 HE3 LYS 78 HE3 LYS 78 190.489 9.959 -4.634 585 HZ1 LYS 78 HZ1 LYS 78 190.287 12.487 -6.108 586 HZ2 LYS 78 HZ2 LYS 78 191.764 11.663 -6.119 587 HZ3 LYS 78 HZ3 LYS 78 191.080 12.150 -4.651 588 H ILE 79 H ILE 79 188.590 6.332 -5.456 589 HA ILE 79 HA ILE 79 186.911 4.204 -6.599 590 HB ILE 79 HB ILE 79 187.185 4.936 -3.699 591 HG12 ILE 79 HG12 ILE 79 187.377 2.186 -4.046 592 HG13 ILE 79 HG13 ILE 79 188.234 2.845 -5.434 593 HG21 ILE 79 HG21 ILE 79 185.479 3.109 -3.360 594 HG22 ILE 79 HG22 ILE 79 185.134 3.228 -5.086 595 HG23 ILE 79 HG23 ILE 79 184.860 4.616 -4.034 596 HD11 ILE 79 HD11 ILE 79 188.786 3.664 -2.603 597 HD12 ILE 79 HD12 ILE 79 189.735 4.036 -4.038 598 HD13 ILE 79 HD13 ILE 79 189.647 2.376 -3.444 599 H TYR 80 H TYR 80 184.729 4.552 -6.781 600 HA TYR 80 HA TYR 80 183.604 7.099 -5.925 601 HB2 TYR 80 HB2 TYR 80 183.756 6.204 -8.808 602 HB3 TYR 80 HB3 TYR 80 182.581 7.390 -8.245 603 HD1 TYR 80 HD1 TYR 80 183.645 9.386 -6.849 604 HD2 TYR 80 HD2 TYR 80 185.763 6.985 -9.650 605 HE1 TYR 80 HE1 TYR 80 185.317 11.169 -7.102 606 HE2 TYR 80 HE2 TYR 80 187.443 8.763 -9.911 607 HH TYR 80 HH TYR 80 186.981 11.927 -8.654 608 H PHE 81 H PHE 81 181.538 6.775 -5.153 609 HA PHE 81 HA PHE 81 179.920 4.639 -6.247 610 HB2 PHE 81 HB2 PHE 81 179.677 3.645 -3.861 611 HB3 PHE 81 HB3 PHE 81 181.061 3.196 -4.837 612 HD1 PHE 81 HD1 PHE 81 180.181 6.012 -2.556 613 HD2 PHE 81 HD2 PHE 81 183.013 3.025 -3.636 614 HE1 PHE 81 HE1 PHE 81 181.665 6.773 -0.749 615 HE2 PHE 81 HE2 PHE 81 184.500 3.779 -1.825 616 HZ PHE 81 HZ PHE 81 183.828 5.655 -0.382 617 H TRP 82 H TRP 82 178.052 4.193 -4.613 618 HA TRP 82 HA TRP 82 177.082 6.509 -3.198 619 HB2 TRP 82 HB2 TRP 82 175.026 6.766 -4.475 620 HB3 TRP 82 HB3 TRP 82 176.410 7.011 -5.532 621 HD1 TRP 82 HD1 TRP 82 176.903 5.075 -7.367 622 HE1 TRP 82 HE1 TRP 82 175.324 3.356 -8.453 623 HE3 TRP 82 HE3 TRP 82 173.019 5.319 -4.047 624 HZ2 TRP 82 HZ2 TRP 82 172.771 2.252 -7.970 625 HZ3 TRP 82 HZ3 TRP 82 171.045 3.903 -4.437 626 HH2 TRP 82 HH2 TRP 82 170.925 2.400 -6.357 627 H THR 83 H THR 83 175.756 5.877 -1.529 628 HA THR 83 HA THR 83 175.252 2.980 -1.366 629 HB THR 83 HB THR 83 174.958 3.335 1.034 630 HG1 THR 83 HG1 THR 83 175.248 5.392 1.905 631 HG21 THR 83 HG21 THR 83 177.254 4.588 1.439 632 HG22 THR 83 HG22 THR 83 177.426 4.278 -0.290 633 HG23 THR 83 HG23 THR 83 177.171 2.935 0.827 634 H TYR 84 H TYR 84 173.216 2.317 -0.199 635 HA TYR 84 HA TYR 84 170.963 4.119 -0.556 636 HB2 TYR 84 HB2 TYR 84 171.213 3.030 -2.734 637 HB3 TYR 84 HB3 TYR 84 171.193 1.454 -1.952 638 HD1 TYR 84 HD1 TYR 84 169.017 4.408 -1.323 639 HD2 TYR 84 HD2 TYR 84 169.263 0.426 -2.801 640 HE1 TYR 84 HE1 TYR 84 166.570 4.351 -1.555 641 HE2 TYR 84 HE2 TYR 84 166.816 0.357 -3.039 642 HH TYR 84 HH TYR 84 164.769 2.325 -1.575 643 H VAL 85 H VAL 85 170.113 4.010 1.458 644 HA VAL 85 HA VAL 85 169.980 1.383 2.760 645 HB VAL 85 HB VAL 85 170.517 2.397 4.673 646 HG11 VAL 85 HG11 VAL 85 170.438 5.078 3.317 647 HG12 VAL 85 HG12 VAL 85 171.745 3.915 3.088 648 HG13 VAL 85 HG13 VAL 85 171.425 4.581 4.691 649 HG21 VAL 85 HG21 VAL 85 169.144 4.291 5.615 650 HG22 VAL 85 HG22 VAL 85 168.259 2.812 5.249 651 HG23 VAL 85 HG23 VAL 85 168.156 4.194 4.157 652 H ILE 86 H ILE 86 167.993 1.103 4.208 653 HA ILE 86 HA ILE 86 165.565 2.295 3.104 654 HB ILE 86 HB ILE 86 165.825 -0.699 3.361 655 HG12 ILE 86 HG12 ILE 86 167.202 0.160 1.509 656 HG13 ILE 86 HG13 ILE 86 165.835 -0.794 0.942 657 HG21 ILE 86 HG21 ILE 86 163.668 -0.744 2.236 658 HG22 ILE 86 HG22 ILE 86 163.661 1.017 2.151 659 HG23 ILE 86 HG23 ILE 86 163.579 0.211 3.717 660 HD11 ILE 86 HD11 ILE 86 166.571 1.718 0.086 661 HD12 ILE 86 HD12 ILE 86 165.164 1.995 1.112 662 HD13 ILE 86 HD13 ILE 86 165.058 0.880 -0.251 663 H LYS 87 H LYS 87 164.937 3.225 4.961 664 HA LYS 87 HA LYS 87 164.941 1.674 7.437 665 HB2 LYS 87 HB2 LYS 87 165.798 4.094 7.241 666 HB3 LYS 87 HB3 LYS 87 164.105 4.551 7.151 667 HG2 LYS 87 HG2 LYS 87 163.901 3.146 9.340 668 HG3 LYS 87 HG3 LYS 87 165.642 3.415 9.438 669 HD2 LYS 87 HD2 LYS 87 165.413 5.651 9.810 670 HD3 LYS 87 HD3 LYS 87 163.929 5.767 8.861 671 HE2 LYS 87 HE2 LYS 87 162.951 5.964 10.879 672 HE3 LYS 87 HE3 LYS 87 163.091 4.205 10.900 673 HZ1 LYS 87 HZ1 LYS 87 165.156 6.022 12.011 674 HZ2 LYS 87 HZ2 LYS 87 165.056 4.343 12.195 675 HZ3 LYS 87 HZ3 LYS 87 163.913 5.343 12.938 676 H ASP 88 H ASP 88 163.203 0.403 6.109 677 HA ASP 88 HA ASP 88 161.045 -0.308 6.018 678 HB2 ASP 88 HB2 ASP 88 161.248 0.569 8.505 679 HB3 ASP 88 HB3 ASP 88 160.146 1.814 7.926 680 H GLY 89 H GLY 89 161.483 0.939 3.874 681 HA2 GLY 89 HA2 GLY 89 160.343 1.969 2.143 682 HA3 GLY 89 HA3 GLY 89 159.069 2.387 3.280 683 H LEU 90 H LEU 90 162.383 3.217 3.926 684 HA LEU 90 HA LEU 90 161.991 5.963 2.998 685 HB2 LEU 90 HB2 LEU 90 163.023 5.504 5.775 686 HB3 LEU 90 HB3 LEU 90 162.379 6.976 5.067 687 HG LEU 90 HG LEU 90 160.704 4.541 5.634 688 HD11 LEU 90 HD11 LEU 90 159.903 5.702 7.616 689 HD12 LEU 90 HD12 LEU 90 161.022 7.032 7.309 690 HD13 LEU 90 HD13 LEU 90 161.643 5.432 7.720 691 HD21 LEU 90 HD21 LEU 90 160.174 6.585 3.968 692 HD22 LEU 90 HD22 LEU 90 159.556 7.250 5.482 693 HD23 LEU 90 HD23 LEU 90 158.937 5.715 4.874 694 H GLY 91 H GLY 91 163.533 4.919 1.495 695 HA2 GLY 91 HA2 GLY 91 166.120 4.264 2.414 696 HA3 GLY 91 HA3 GLY 91 165.638 4.420 0.743 697 H TYR 92 H TYR 92 168.079 5.193 1.690 698 HA TYR 92 HA TYR 92 168.128 7.985 0.911 699 HB2 TYR 92 HB2 TYR 92 169.412 7.117 3.513 700 HB3 TYR 92 HB3 TYR 92 169.423 8.738 2.823 701 HD1 TYR 92 HD1 TYR 92 167.122 9.880 2.510 702 HD2 TYR 92 HD2 TYR 92 167.752 6.511 5.031 703 HE1 TYR 92 HE1 TYR 92 165.060 10.418 3.734 704 HE2 TYR 92 HE2 TYR 92 165.690 7.039 6.261 705 HH TYR 92 HH TYR 92 164.274 9.060 6.700 706 H ARG 93 H ARG 93 170.071 8.483 -0.169 707 HA ARG 93 HA ARG 93 172.000 6.268 -0.249 708 HB2 ARG 93 HB2 ARG 93 172.445 6.863 -2.599 709 HB3 ARG 93 HB3 ARG 93 170.783 6.337 -2.327 710 HG2 ARG 93 HG2 ARG 93 170.552 9.029 -2.015 711 HG3 ARG 93 HG3 ARG 93 171.818 8.918 -3.240 712 HD2 ARG 93 HD2 ARG 93 170.396 7.560 -4.642 713 HD3 ARG 93 HD3 ARG 93 169.150 7.520 -3.395 714 HE ARG 93 HE ARG 93 169.588 10.185 -3.942 715 HH11 ARG 93 HH11 ARG 93 168.555 7.371 -5.728 716 HH12 ARG 93 HH12 ARG 93 167.576 8.275 -6.832 717 HH21 ARG 93 HH21 ARG 93 168.303 11.378 -5.394 718 HH22 ARG 93 HH22 ARG 93 167.435 10.551 -6.645 719 H GLN 94 H GLN 94 174.128 6.676 -0.370 720 HA GLN 94 HA GLN 94 174.946 9.442 0.200 721 HB2 GLN 94 HB2 GLN 94 175.484 7.597 1.879 722 HB3 GLN 94 HB3 GLN 94 176.587 6.951 0.672 723 HG2 GLN 94 HG2 GLN 94 177.504 9.426 0.703 724 HG3 GLN 94 HG3 GLN 94 176.797 9.409 2.317 725 HE21 GLN 94 HE21 GLN 94 179.548 9.670 1.737 726 HE22 GLN 94 HE22 GLN 94 180.362 8.295 2.394 727 H ASP 95 H ASP 95 174.594 9.640 -2.177 728 HA ASP 95 HA ASP 95 176.455 8.350 -3.932 729 HB2 ASP 95 HB2 ASP 95 175.503 9.882 -5.651 730 HB3 ASP 95 HB3 ASP 95 174.286 8.950 -4.788 731 H ASN 96 H ASN 96 177.603 9.876 -5.566 732 HA ASN 96 HA ASN 96 179.364 11.252 -5.966 733 HB2 ASN 96 HB2 ASN 96 177.752 13.016 -5.416 734 HB3 ASN 96 HB3 ASN 96 178.144 12.850 -3.709 735 HD21 ASN 96 HD21 ASN 96 179.723 14.063 -2.907 736 HD22 ASN 96 HD22 ASN 96 180.842 14.995 -3.835 737 H GLY 97 H GLY 97 179.362 9.139 -3.711 738 HA2 GLY 97 HA2 GLY 97 181.315 10.102 -1.837 739 HA3 GLY 97 HA3 GLY 97 180.771 8.440 -2.012 740 H GLU 98 H GLU 98 183.407 9.004 -1.528 741 HA GLU 98 HA GLU 98 184.628 7.844 -3.880 742 HB2 GLU 98 HB2 GLU 98 186.387 9.512 -4.085 743 HB3 GLU 98 HB3 GLU 98 184.813 10.260 -4.315 744 HG2 GLU 98 HG2 GLU 98 184.903 10.997 -1.933 745 HG3 GLU 98 HG3 GLU 98 186.560 10.402 -1.872 746 H TRP 99 H TRP 99 186.657 6.887 -3.481 747 HA TRP 99 HA TRP 99 187.718 6.941 -0.783 748 HB2 TRP 99 HB2 TRP 99 186.003 5.200 -0.653 749 HB3 TRP 99 HB3 TRP 99 186.704 4.385 -2.040 750 HD1 TRP 99 HD1 TRP 99 188.373 5.665 1.231 751 HE1 TRP 99 HE1 TRP 99 189.722 3.710 2.223 752 HE3 TRP 99 HE3 TRP 99 187.161 2.044 -2.159 753 HZ2 TRP 99 HZ2 TRP 99 190.203 0.998 1.637 754 HZ3 TRP 99 HZ3 TRP 99 188.102 -0.208 -1.873 755 HH2 TRP 99 HH2 TRP 99 189.590 -0.721 -0.013 756 H THR 100 H THR 100 189.806 5.680 -0.665 757 HA THR 100 HA THR 100 191.233 5.983 -3.219 758 HB THR 100 HB THR 100 191.887 7.333 -1.176 759 HG1 THR 100 HG1 THR 100 193.323 6.886 -2.945 760 HG21 THR 100 HG21 THR 100 193.623 5.396 -0.021 761 HG22 THR 100 HG22 THR 100 191.969 4.789 0.065 762 HG23 THR 100 HG23 THR 100 192.370 6.364 0.755 763 H VAL 101 H VAL 101 192.991 4.572 -3.708 764 HA VAL 101 HA VAL 101 192.688 1.845 -2.620 765 HB VAL 101 HB VAL 101 193.684 2.479 -5.397 766 HG11 VAL 101 HG11 VAL 101 192.879 -0.027 -3.946 767 HG12 VAL 101 HG12 VAL 101 194.426 0.360 -4.700 768 HG13 VAL 101 HG13 VAL 101 193.009 0.049 -5.703 769 HG21 VAL 101 HG21 VAL 101 190.950 1.374 -4.890 770 HG22 VAL 101 HG22 VAL 101 191.563 2.250 -6.291 771 HG23 VAL 101 HG23 VAL 101 191.209 3.114 -4.800 772 H THR 102 H THR 102 194.690 4.497 -2.784 773 HA THR 102 HA THR 102 197.222 3.303 -3.211 774 HB THR 102 HB THR 102 198.148 5.374 -2.624 775 HG1 THR 102 HG1 THR 102 197.000 6.881 -1.325 776 HG21 THR 102 HG21 THR 102 196.534 5.543 -4.545 777 HG22 THR 102 HG22 THR 102 196.910 7.052 -3.717 778 HG23 THR 102 HG23 THR 102 195.380 6.232 -3.404 779 H GLU 103 H GLU 103 195.104 2.866 -0.671 780 HA GLU 103 HA GLU 103 197.310 1.979 1.047 781 HB2 GLU 103 HB2 GLU 103 196.274 4.228 1.754 782 HB3 GLU 103 HB3 GLU 103 194.860 3.285 2.207 783 HG2 GLU 103 HG2 GLU 103 195.821 3.028 4.187 784 HG3 GLU 103 HG3 GLU 103 196.944 1.925 3.394 785 H PHE 104 H PHE 104 196.849 0.206 2.391 786 HA PHE 104 HA PHE 104 194.254 -1.100 1.960 787 HB2 PHE 104 HB2 PHE 104 196.971 -2.418 1.736 788 HB3 PHE 104 HB3 PHE 104 195.438 -3.282 1.746 789 HD1 PHE 104 HD1 PHE 104 197.048 -0.447 -0.079 790 HD2 PHE 104 HD2 PHE 104 194.593 -3.917 -0.285 791 HE1 PHE 104 HE1 PHE 104 196.899 -0.191 -2.521 792 HE2 PHE 104 HE2 PHE 104 194.442 -3.669 -2.729 793 HZ PHE 104 HZ PHE 104 195.596 -1.804 -3.852 794 H VAL 105 H VAL 105 193.566 -2.434 3.688 795 HA VAL 105 HA VAL 105 194.970 -1.845 6.185 796 HB VAL 105 HB VAL 105 192.972 -2.344 7.384 797 HG11 VAL 105 HG11 VAL 105 191.461 -0.686 6.517 798 HG12 VAL 105 HG12 VAL 105 192.178 -0.810 4.911 799 HG13 VAL 105 HG13 VAL 105 193.119 -0.147 6.248 800 HG21 VAL 105 HG21 VAL 105 192.253 -4.309 6.105 801 HG22 VAL 105 HG22 VAL 105 191.780 -3.268 4.763 802 HG23 VAL 105 HG23 VAL 105 190.931 -3.160 6.304 803 H ASN 106 H ASN 106 194.838 -3.576 7.868 804 HA ASN 106 HA ASN 106 195.907 -6.040 6.727 805 HB2 ASN 106 HB2 ASN 106 196.215 -4.540 9.247 806 HB3 ASN 106 HB3 ASN 106 196.250 -6.292 9.403 807 HD21 ASN 106 HD21 ASN 106 198.226 -3.877 9.380 808 HD22 ASN 106 HD22 ASN 106 199.558 -4.499 8.476 809 H GLU 107 H GLU 107 195.230 -8.095 7.334 810 HA GLU 107 HA GLU 107 192.478 -8.498 7.595 811 HB2 GLU 107 HB2 GLU 107 193.141 -10.837 8.326 812 HB3 GLU 107 HB3 GLU 107 193.788 -10.312 6.778 813 HG2 GLU 107 HG2 GLU 107 195.914 -10.350 7.500 814 HG3 GLU 107 HG3 GLU 107 195.492 -9.771 9.111 815 H ASP 108 H ASP 108 194.872 -7.605 9.845 816 HA ASP 108 HA ASP 108 193.684 -8.582 12.237 817 HB2 ASP 108 HB2 ASP 108 195.666 -6.381 11.658 818 HB3 ASP 108 HB3 ASP 108 195.106 -6.728 13.292 819 H GLY 109 H GLY 109 193.210 -5.753 10.219 820 HA2 GLY 109 HA2 GLY 109 190.933 -4.818 10.338 821 HA3 GLY 109 HA3 GLY 109 191.077 -4.905 12.084 822 H THR 110 H THR 110 193.832 -3.859 10.225 823 HA THR 110 HA THR 110 193.124 -1.063 10.525 824 HB THR 110 HB THR 110 194.812 -0.405 11.971 825 HG1 THR 110 HG1 THR 110 195.975 -2.967 11.612 826 HG21 THR 110 HG21 THR 110 194.055 -3.100 13.075 827 HG22 THR 110 HG22 THR 110 193.072 -1.640 13.199 828 HG23 THR 110 HG23 THR 110 194.652 -1.710 13.982 829 HA PRO 111 HA PRO 111 195.314 -0.147 6.933 830 HB2 PRO 111 HB2 PRO 111 196.965 1.753 8.539 831 HB3 PRO 111 HB3 PRO 111 196.075 2.031 7.040 832 HG2 PRO 111 HG2 PRO 111 195.109 2.891 9.367 833 HG3 PRO 111 HG3 PRO 111 194.033 2.216 8.129 834 HD2 PRO 111 HD2 PRO 111 195.000 0.991 10.669 835 HD3 PRO 111 HD3 PRO 111 193.448 0.790 9.848 836 H ALA 112 H ALA 112 196.771 -1.324 5.963 837 HA ALA 112 HA ALA 112 198.858 -2.661 7.350 838 HB1 ALA 112 HB1 ALA 112 199.117 -3.900 5.460 839 HB2 ALA 112 HB2 ALA 112 198.882 -2.517 4.391 840 HB3 ALA 112 HB3 ALA 112 197.493 -3.279 5.166 841 H ASP 113 H ASP 113 199.758 -0.535 8.176 842 HA ASP 113 HA ASP 113 201.159 1.207 6.449 843 HB2 ASP 113 HB2 ASP 113 200.469 1.388 9.016 844 HB3 ASP 113 HB3 ASP 113 202.115 0.807 9.245 845 H THR 114 H THR 114 203.620 1.539 6.795 846 HA THR 114 HA THR 114 204.898 -1.034 6.212 847 HB THR 114 HB THR 114 206.793 0.652 5.479 848 HG1 THR 114 HG1 THR 114 205.687 2.498 6.254 849 HG21 THR 114 HG21 THR 114 205.696 0.929 3.246 850 HG22 THR 114 HG22 THR 114 204.272 0.146 3.928 851 HG23 THR 114 HG23 THR 114 205.800 -0.728 3.838 852 H SER 115 H SER 115 204.317 -0.292 8.921 853 HA SER 115 HA SER 115 207.065 -0.116 9.966 854 HB2 SER 115 HB2 SER 115 204.647 1.432 10.725 855 HB3 SER 115 HB3 SER 115 205.677 0.880 12.045 856 HG SER 115 HG SER 115 207.149 2.271 11.468 857 H LEU 116 H LEU 116 207.576 -1.441 11.686 858 HA LEU 116 HA LEU 116 205.591 -3.531 12.279 859 HB2 LEU 116 HB2 LEU 116 208.599 -3.549 12.251 860 HB3 LEU 116 HB3 LEU 116 207.674 -4.815 13.037 861 HG LEU 116 HG LEU 116 206.537 -5.225 10.822 862 HD11 LEU 116 HD11 LEU 116 208.247 -4.399 8.941 863 HD12 LEU 116 HD12 LEU 116 208.391 -3.054 10.071 864 HD13 LEU 116 HD13 LEU 116 206.815 -3.483 9.410 865 HD21 LEU 116 HD21 LEU 116 208.721 -6.232 9.823 866 HD22 LEU 116 HD22 LEU 116 208.095 -6.840 11.355 867 HD23 LEU 116 HD23 LEU 116 209.439 -5.699 11.342 868 H GLU 117 H GLU 117 204.799 -1.746 13.798 869 HA GLU 117 HA GLU 117 206.334 -1.274 16.174 870 HB2 GLU 117 HB2 GLU 117 203.824 -0.347 15.032 871 HB3 GLU 117 HB3 GLU 117 203.690 -0.638 16.762 872 HG2 GLU 117 HG2 GLU 117 205.678 0.801 17.104 873 HG3 GLU 117 HG3 GLU 117 205.660 1.168 15.379 874 HA PRO 118 HA PRO 118 205.106 -5.163 18.048 875 HB2 PRO 118 HB2 PRO 118 206.382 -4.798 20.412 876 HB3 PRO 118 HB3 PRO 118 207.227 -5.259 18.931 877 HG2 PRO 118 HG2 PRO 118 206.959 -2.559 20.196 878 HG3 PRO 118 HG3 PRO 118 208.391 -3.323 19.480 879 HD2 PRO 118 HD2 PRO 118 206.907 -1.481 18.160 880 HD3 PRO 118 HD3 PRO 118 207.748 -2.805 17.329 Start of MODEL 10 1 H GLN 6 H GLN 6 162.307 12.692 8.768 2 HA GLN 6 HA GLN 6 162.785 11.254 7.064 3 HB2 GLN 6 HB2 GLN 6 163.333 13.769 5.485 4 HB3 GLN 6 HB3 GLN 6 163.768 12.165 4.912 5 HG2 GLN 6 HG2 GLN 6 161.691 11.720 4.262 6 HG3 GLN 6 HG3 GLN 6 161.000 12.325 5.766 7 HE21 GLN 6 HE21 GLN 6 162.383 13.388 2.692 8 HE22 GLN 6 HE22 GLN 6 161.415 14.812 2.546 9 H TYR 7 H TYR 7 164.603 10.195 7.520 10 HA TYR 7 HA TYR 7 166.826 11.570 8.709 11 HB2 TYR 7 HB2 TYR 7 166.029 9.324 9.441 12 HB3 TYR 7 HB3 TYR 7 166.626 8.653 7.936 13 HD1 TYR 7 HD1 TYR 7 167.855 10.781 10.758 14 HD2 TYR 7 HD2 TYR 7 168.691 7.639 8.015 15 HE1 TYR 7 HE1 TYR 7 170.058 10.463 11.804 16 HE2 TYR 7 HE2 TYR 7 170.895 7.312 9.053 17 HH TYR 7 HH TYR 7 171.992 7.749 11.226 18 H VAL 8 H VAL 8 169.081 10.693 7.980 19 HA VAL 8 HA VAL 8 169.278 11.080 5.063 20 HB VAL 8 HB VAL 8 171.362 11.890 7.082 21 HG11 VAL 8 HG11 VAL 8 171.020 12.336 4.131 22 HG12 VAL 8 HG12 VAL 8 172.367 11.575 4.976 23 HG13 VAL 8 HG13 VAL 8 172.106 13.314 5.117 24 HG21 VAL 8 HG21 VAL 8 168.982 13.341 6.057 25 HG22 VAL 8 HG22 VAL 8 170.482 14.248 6.256 26 HG23 VAL 8 HG23 VAL 8 169.762 13.421 7.636 27 H VAL 9 H VAL 9 171.184 10.123 4.044 28 HA VAL 9 HA VAL 9 171.534 7.412 4.833 29 HB VAL 9 HB VAL 9 171.571 8.062 2.478 30 HG11 VAL 9 HG11 VAL 9 174.153 9.043 2.066 31 HG12 VAL 9 HG12 VAL 9 173.504 9.982 3.409 32 HG13 VAL 9 HG13 VAL 9 172.633 9.917 1.877 33 HG21 VAL 9 HG21 VAL 9 173.990 6.727 3.633 34 HG22 VAL 9 HG22 VAL 9 173.827 6.939 1.892 35 HG23 VAL 9 HG23 VAL 9 172.619 6.015 2.781 36 HA PRO 10 HA PRO 10 174.950 7.884 7.624 37 HB2 PRO 10 HB2 PRO 10 175.956 5.354 7.483 38 HB3 PRO 10 HB3 PRO 10 174.512 5.779 8.406 39 HG2 PRO 10 HG2 PRO 10 174.735 4.557 5.685 40 HG3 PRO 10 HG3 PRO 10 173.626 4.151 7.008 41 HD2 PRO 10 HD2 PRO 10 172.865 5.652 4.899 42 HD3 PRO 10 HD3 PRO 10 172.208 5.907 6.528 43 H SER 11 H SER 11 177.363 6.771 7.591 44 HA SER 11 HA SER 11 178.557 7.798 5.119 45 HB2 SER 11 HB2 SER 11 179.138 8.812 7.392 46 HB3 SER 11 HB3 SER 11 180.013 7.314 7.711 47 HG SER 11 HG SER 11 180.838 9.430 6.345 48 H ALA 12 H ALA 12 179.259 6.358 3.703 49 HA ALA 12 HA ALA 12 179.692 3.612 4.492 50 HB1 ALA 12 HB1 ALA 12 178.773 3.430 2.459 51 HB2 ALA 12 HB2 ALA 12 180.406 3.726 1.864 52 HB3 ALA 12 HB3 ALA 12 179.259 5.059 1.990 53 H LYS 13 H LYS 13 181.536 3.365 5.634 54 HA LYS 13 HA LYS 13 184.005 4.624 4.794 55 HB2 LYS 13 HB2 LYS 13 183.064 3.093 7.127 56 HB3 LYS 13 HB3 LYS 13 184.734 2.775 6.678 57 HG2 LYS 13 HG2 LYS 13 185.433 4.853 7.256 58 HG3 LYS 13 HG3 LYS 13 183.895 5.609 6.836 59 HD2 LYS 13 HD2 LYS 13 183.543 3.783 9.031 60 HD3 LYS 13 HD3 LYS 13 184.831 4.932 9.394 61 HE2 LYS 13 HE2 LYS 13 183.414 6.675 9.521 62 HE3 LYS 13 HE3 LYS 13 182.434 6.106 8.169 63 HZ1 LYS 13 HZ1 LYS 13 180.965 5.770 9.834 64 HZ2 LYS 13 HZ2 LYS 13 182.154 5.574 11.021 65 HZ3 LYS 13 HZ3 LYS 13 181.788 4.298 9.972 66 H LEU 14 H LEU 14 185.896 3.442 4.103 67 HA LEU 14 HA LEU 14 185.442 0.682 3.269 68 HB2 LEU 14 HB2 LEU 14 186.393 2.777 1.324 69 HB3 LEU 14 HB3 LEU 14 186.102 1.080 0.988 70 HG LEU 14 HG LEU 14 183.652 1.735 1.815 71 HD11 LEU 14 HD11 LEU 14 183.067 3.963 0.944 72 HD12 LEU 14 HD12 LEU 14 184.779 4.289 0.681 73 HD13 LEU 14 HD13 LEU 14 184.170 4.042 2.316 74 HD21 LEU 14 HD21 LEU 14 183.163 2.244 -0.633 75 HD22 LEU 14 HD22 LEU 14 183.950 0.708 -0.272 76 HD23 LEU 14 HD23 LEU 14 184.898 2.057 -0.897 77 H GLU 15 H GLU 15 187.349 -0.441 2.601 78 HA GLU 15 HA GLU 15 189.928 0.780 3.129 79 HB2 GLU 15 HB2 GLU 15 188.912 -1.583 4.719 80 HB3 GLU 15 HB3 GLU 15 190.578 -1.021 4.715 81 HG2 GLU 15 HG2 GLU 15 189.352 1.261 5.379 82 HG3 GLU 15 HG3 GLU 15 188.194 0.106 6.037 83 H ALA 16 H ALA 16 191.613 -0.251 2.036 84 HA ALA 16 HA ALA 16 190.741 -2.148 0.010 85 HB1 ALA 16 HB1 ALA 16 192.788 -0.181 0.220 86 HB2 ALA 16 HB2 ALA 16 192.271 -1.092 -1.198 87 HB3 ALA 16 HB3 ALA 16 193.538 -1.731 -0.153 88 H ILE 17 H ILE 17 190.495 -4.168 0.774 89 HA ILE 17 HA ILE 17 192.202 -5.356 2.724 90 HB ILE 17 HB ILE 17 190.359 -6.817 0.834 91 HG12 ILE 17 HG12 ILE 17 189.087 -5.034 1.887 92 HG13 ILE 17 HG13 ILE 17 188.638 -6.577 2.606 93 HG21 ILE 17 HG21 ILE 17 191.874 -7.509 3.265 94 HG22 ILE 17 HG22 ILE 17 191.375 -8.520 1.909 95 HG23 ILE 17 HG23 ILE 17 190.223 -8.122 3.182 96 HD11 ILE 17 HD11 ILE 17 188.856 -5.377 4.501 97 HD12 ILE 17 HD12 ILE 17 190.020 -4.257 3.793 98 HD13 ILE 17 HD13 ILE 17 190.544 -5.855 4.323 99 H TYR 18 H TYR 18 194.132 -6.230 2.436 100 HA TYR 18 HA TYR 18 195.147 -6.660 -0.248 101 HB2 TYR 18 HB2 TYR 18 196.443 -5.534 1.644 102 HB3 TYR 18 HB3 TYR 18 196.617 -7.140 2.343 103 HD1 TYR 18 HD1 TYR 18 197.438 -5.066 -0.610 104 HD2 TYR 18 HD2 TYR 18 198.246 -8.655 1.528 105 HE1 TYR 18 HE1 TYR 18 199.415 -5.452 -2.019 106 HE2 TYR 18 HE2 TYR 18 200.227 -9.051 0.124 107 HH TYR 18 HH TYR 18 200.793 -7.463 -2.746 108 HA PRO 19 HA PRO 19 196.425 -7.632 -1.345 109 HB2 PRO 19 HB2 PRO 19 197.011 -9.540 -3.130 110 HB3 PRO 19 HB3 PRO 19 197.911 -9.381 -1.619 111 HG2 PRO 19 HG2 PRO 19 195.965 -11.436 -2.430 112 HG3 PRO 19 HG3 PRO 19 197.230 -11.511 -1.194 113 HD2 PRO 19 HD2 PRO 19 194.407 -10.977 -0.856 114 HD3 PRO 19 HD3 PRO 19 195.652 -11.162 0.393 115 H ARG 20 H ARG 20 193.440 -9.007 -1.335 116 HA ARG 20 HA ARG 20 192.560 -7.532 -3.580 117 HB2 ARG 20 HB2 ARG 20 193.143 -10.379 -3.903 118 HB3 ARG 20 HB3 ARG 20 191.502 -9.952 -4.369 119 HG2 ARG 20 HG2 ARG 20 192.171 -8.767 -6.171 120 HG3 ARG 20 HG3 ARG 20 193.645 -8.198 -5.386 121 HD2 ARG 20 HD2 ARG 20 194.512 -9.631 -6.959 122 HD3 ARG 20 HD3 ARG 20 194.355 -10.709 -5.573 123 HE ARG 20 HE ARG 20 191.997 -11.009 -6.873 124 HH11 ARG 20 HH11 ARG 20 195.333 -11.236 -7.869 125 HH12 ARG 20 HH12 ARG 20 195.017 -12.413 -9.098 126 HH21 ARG 20 HH21 ARG 20 191.577 -12.557 -8.487 127 HH22 ARG 20 HH22 ARG 20 192.884 -13.164 -9.450 128 H GLY 21 H GLY 21 191.080 -6.573 -2.274 129 HA2 GLY 21 HA2 GLY 21 188.596 -7.775 -1.897 130 HA3 GLY 21 HA3 GLY 21 189.465 -7.906 -0.385 131 H LEU 22 H LEU 22 187.121 -6.509 -0.479 132 HA LEU 22 HA LEU 22 188.041 -3.840 0.212 133 HB2 LEU 22 HB2 LEU 22 187.200 -4.046 -2.276 134 HB3 LEU 22 HB3 LEU 22 185.616 -4.000 -1.523 135 HG LEU 22 HG LEU 22 186.374 -1.787 -2.313 136 HD11 LEU 22 HD11 LEU 22 185.329 -0.730 -0.622 137 HD12 LEU 22 HD12 LEU 22 186.376 -1.434 0.610 138 HD13 LEU 22 HD13 LEU 22 185.037 -2.373 -0.051 139 HD21 LEU 22 HD21 LEU 22 188.428 -1.031 -1.935 140 HD22 LEU 22 HD22 LEU 22 188.810 -2.563 -1.149 141 HD23 LEU 22 HD23 LEU 22 188.218 -1.205 -0.193 142 H ARG 23 H ARG 23 187.218 -3.383 2.140 143 HA ARG 23 HA ARG 23 184.665 -4.638 2.905 144 HB2 ARG 23 HB2 ARG 23 185.389 -4.407 5.227 145 HB3 ARG 23 HB3 ARG 23 186.568 -5.315 4.292 146 HG2 ARG 23 HG2 ARG 23 188.058 -3.472 4.216 147 HG3 ARG 23 HG3 ARG 23 186.835 -2.376 4.861 148 HD2 ARG 23 HD2 ARG 23 187.579 -4.758 6.475 149 HD3 ARG 23 HD3 ARG 23 188.726 -3.424 6.392 150 HE ARG 23 HE ARG 23 186.065 -2.572 7.023 151 HH11 ARG 23 HH11 ARG 23 189.018 -3.868 8.360 152 HH12 ARG 23 HH12 ARG 23 188.719 -3.243 9.947 153 HH21 ARG 23 HH21 ARG 23 185.673 -1.750 9.112 154 HH22 ARG 23 HH22 ARG 23 186.820 -2.043 10.375 155 H VAL 24 H VAL 24 182.964 -3.404 3.456 156 HA VAL 24 HA VAL 24 183.403 -0.499 3.687 157 HB VAL 24 HB VAL 24 180.947 -1.819 2.538 158 HG11 VAL 24 HG11 VAL 24 180.542 0.378 3.513 159 HG12 VAL 24 HG12 VAL 24 180.403 0.435 1.756 160 HG13 VAL 24 HG13 VAL 24 181.852 1.058 2.546 161 HG21 VAL 24 HG21 VAL 24 181.764 -1.047 0.348 162 HG22 VAL 24 HG22 VAL 24 182.828 -2.250 1.076 163 HG23 VAL 24 HG23 VAL 24 183.273 -0.544 1.107 164 H SER 25 H SER 25 181.916 0.669 5.029 165 HA SER 25 HA SER 25 180.212 -0.873 6.817 166 HB2 SER 25 HB2 SER 25 182.009 1.035 8.209 167 HB3 SER 25 HB3 SER 25 181.351 -0.505 8.763 168 HG SER 25 HG SER 25 182.872 -1.529 7.348 169 H ILE 26 H ILE 26 178.592 0.346 7.817 170 HA ILE 26 HA ILE 26 178.520 3.235 7.307 171 HB ILE 26 HB ILE 26 176.111 2.986 6.525 172 HG12 ILE 26 HG12 ILE 26 176.691 0.367 5.353 173 HG13 ILE 26 HG13 ILE 26 176.535 0.328 7.103 174 HG21 ILE 26 HG21 ILE 26 178.397 2.080 4.790 175 HG22 ILE 26 HG22 ILE 26 177.783 3.721 4.999 176 HG23 ILE 26 HG23 ILE 26 176.803 2.510 4.173 177 HD11 ILE 26 HD11 ILE 26 174.489 1.580 5.297 178 HD12 ILE 26 HD12 ILE 26 174.334 1.189 7.010 179 HD13 ILE 26 HD13 ILE 26 174.433 -0.105 5.816 180 HA PRO 27 HA PRO 27 176.894 3.026 11.483 181 HB2 PRO 27 HB2 PRO 27 175.963 5.615 11.557 182 HB3 PRO 27 HB3 PRO 27 177.638 5.152 11.874 183 HG2 PRO 27 HG2 PRO 27 176.409 6.219 9.365 184 HG3 PRO 27 HG3 PRO 27 177.970 6.616 10.104 185 HD2 PRO 27 HD2 PRO 27 177.798 4.959 8.000 186 HD3 PRO 27 HD3 PRO 27 178.985 4.695 9.292 187 H ASP 28 H ASP 28 175.165 1.626 11.180 188 HA ASP 28 HA ASP 28 172.845 2.153 9.721 189 HB2 ASP 28 HB2 ASP 28 173.458 -0.099 10.454 190 HB3 ASP 28 HB3 ASP 28 173.196 0.364 12.130 191 H ASP 29 H ASP 29 170.716 2.597 10.418 192 HA ASP 29 HA ASP 29 170.420 3.949 12.991 193 HB2 ASP 29 HB2 ASP 29 170.868 5.521 10.895 194 HB3 ASP 29 HB3 ASP 29 169.154 5.234 10.608 195 H GLY 30 H GLY 30 169.599 1.423 12.379 196 HA2 GLY 30 HA2 GLY 30 167.758 0.104 12.703 197 HA3 GLY 30 HA3 GLY 30 166.828 1.571 12.906 198 H PHE 31 H PHE 31 168.720 0.558 10.095 199 HA PHE 31 HA PHE 31 166.422 1.028 8.399 200 HB2 PHE 31 HB2 PHE 31 169.127 0.007 7.538 201 HB3 PHE 31 HB3 PHE 31 167.914 0.799 6.542 202 HD1 PHE 31 HD1 PHE 31 167.177 3.141 8.028 203 HD2 PHE 31 HD2 PHE 31 171.001 1.327 7.617 204 HE1 PHE 31 HE1 PHE 31 168.248 5.313 8.460 205 HE2 PHE 31 HE2 PHE 31 172.081 3.493 8.049 206 HZ PHE 31 HZ PHE 31 170.704 5.489 8.472 207 H SER 32 H SER 32 166.685 -0.694 6.394 208 HA SER 32 HA SER 32 166.408 -3.373 7.536 209 HB2 SER 32 HB2 SER 32 164.201 -2.008 6.951 210 HB3 SER 32 HB3 SER 32 164.575 -2.567 5.321 211 HG SER 32 HG SER 32 164.734 -4.720 6.344 212 H LEU 33 H LEU 33 167.275 -1.302 4.828 213 HA LEU 33 HA LEU 33 168.673 -3.641 3.701 214 HB2 LEU 33 HB2 LEU 33 166.445 -3.121 2.484 215 HB3 LEU 33 HB3 LEU 33 167.305 -1.737 1.856 216 HG LEU 33 HG LEU 33 169.089 -3.386 1.070 217 HD11 LEU 33 HD11 LEU 33 166.930 -5.415 0.960 218 HD12 LEU 33 HD12 LEU 33 167.801 -5.219 2.482 219 HD13 LEU 33 HD13 LEU 33 168.682 -5.618 1.007 220 HD21 LEU 33 HD21 LEU 33 168.177 -3.314 -0.995 221 HD22 LEU 33 HD22 LEU 33 167.050 -2.215 -0.198 222 HD23 LEU 33 HD23 LEU 33 166.607 -3.905 -0.446 223 H PHE 34 H PHE 34 170.640 -3.262 2.948 224 HA PHE 34 HA PHE 34 171.499 -0.479 2.579 225 HB2 PHE 34 HB2 PHE 34 172.393 -1.272 4.691 226 HB3 PHE 34 HB3 PHE 34 173.028 -2.714 3.914 227 HD1 PHE 34 HD1 PHE 34 173.156 0.923 3.102 228 HD2 PHE 34 HD2 PHE 34 175.320 -2.669 3.821 229 HE1 PHE 34 HE1 PHE 34 175.259 2.098 2.611 230 HE2 PHE 34 HE2 PHE 34 177.430 -1.502 3.330 231 HZ PHE 34 HZ PHE 34 177.400 0.886 2.722 232 H ALA 35 H ALA 35 171.660 -0.369 0.402 233 HA ALA 35 HA ALA 35 173.058 -2.537 -1.010 234 HB1 ALA 35 HB1 ALA 35 171.738 -0.462 -2.615 235 HB2 ALA 35 HB2 ALA 35 170.657 -1.421 -1.604 236 HB3 ALA 35 HB3 ALA 35 171.705 -2.218 -2.778 237 H PHE 36 H PHE 36 175.117 -2.177 -1.480 238 HA PHE 36 HA PHE 36 176.043 0.603 -1.700 239 HB2 PHE 36 HB2 PHE 36 177.177 -0.664 0.033 240 HB3 PHE 36 HB3 PHE 36 177.575 -1.939 -1.116 241 HD1 PHE 36 HD1 PHE 36 177.918 1.782 -1.079 242 HD2 PHE 36 HD2 PHE 36 179.802 -1.993 -1.625 243 HE1 PHE 36 HE1 PHE 36 180.036 2.920 -1.603 244 HE2 PHE 36 HE2 PHE 36 181.924 -0.864 -2.149 245 HZ PHE 36 HZ PHE 36 182.042 1.596 -2.139 246 H HIS 37 H HIS 37 176.721 1.380 -3.581 247 HA HIS 37 HA HIS 37 177.265 -0.475 -5.790 248 HB2 HIS 37 HB2 HIS 37 175.480 1.792 -5.500 249 HB3 HIS 37 HB3 HIS 37 176.605 2.030 -6.817 250 HD1 HIS 37 HD1 HIS 37 175.380 -1.396 -6.001 251 HD2 HIS 37 HD2 HIS 37 174.555 1.622 -8.731 252 HE1 HIS 37 HE1 HIS 37 173.867 -2.437 -7.717 253 HE2 HIS 37 HE2 HIS 37 173.417 -0.605 -9.384 254 H GLY 38 H GLY 38 179.344 -0.269 -6.676 255 HA2 GLY 38 HA2 GLY 38 180.676 2.324 -6.283 256 HA3 GLY 38 HA3 GLY 38 181.436 0.915 -5.573 257 H LYS 39 H LYS 39 182.211 2.872 -7.692 258 HA LYS 39 HA LYS 39 182.868 0.929 -9.806 259 HB2 LYS 39 HB2 LYS 39 181.866 3.691 -9.943 260 HB3 LYS 39 HB3 LYS 39 183.254 3.380 -10.977 261 HG2 LYS 39 HG2 LYS 39 181.804 1.256 -11.630 262 HG3 LYS 39 HG3 LYS 39 180.492 2.326 -11.133 263 HD2 LYS 39 HD2 LYS 39 181.925 4.020 -12.657 264 HD3 LYS 39 HD3 LYS 39 182.305 2.494 -13.458 265 HE2 LYS 39 HE2 LYS 39 180.372 3.478 -14.506 266 HE3 LYS 39 HE3 LYS 39 179.882 2.029 -13.632 267 HZ1 LYS 39 HZ1 LYS 39 179.654 4.755 -12.492 268 HZ2 LYS 39 HZ2 LYS 39 178.957 3.329 -11.908 269 HZ3 LYS 39 HZ3 LYS 39 178.403 4.009 -13.354 270 H LEU 40 H LEU 40 184.967 0.470 -9.980 271 HA LEU 40 HA LEU 40 186.899 1.931 -8.407 272 HB2 LEU 40 HB2 LEU 40 186.955 -0.527 -8.567 273 HB3 LEU 40 HB3 LEU 40 187.276 -0.402 -10.286 274 HG LEU 40 HG LEU 40 189.403 0.805 -9.729 275 HD11 LEU 40 HD11 LEU 40 188.361 1.169 -7.283 276 HD12 LEU 40 HD12 LEU 40 190.094 1.192 -7.615 277 HD13 LEU 40 HD13 LEU 40 189.336 -0.270 -6.982 278 HD21 LEU 40 HD21 LEU 40 190.538 -1.149 -9.699 279 HD22 LEU 40 HD22 LEU 40 188.930 -1.827 -9.963 280 HD23 LEU 40 HD23 LEU 40 189.617 -1.790 -8.337 281 H ASN 41 H ASN 41 187.769 3.752 -9.145 282 HA ASN 41 HA ASN 41 188.700 5.309 -10.519 283 HB2 ASN 41 HB2 ASN 41 190.278 3.341 -10.867 284 HB3 ASN 41 HB3 ASN 41 189.402 3.020 -12.360 285 HD21 ASN 41 HD21 ASN 41 190.595 5.951 -10.752 286 HD22 ASN 41 HD22 ASN 41 191.456 6.555 -12.122 287 H GLU 42 H GLU 42 186.257 5.688 -10.828 288 HA GLU 42 HA GLU 42 185.761 6.595 -13.375 289 HB2 GLU 42 HB2 GLU 42 185.651 4.253 -14.089 290 HB3 GLU 42 HB3 GLU 42 184.423 3.929 -12.871 291 HG2 GLU 42 HG2 GLU 42 182.904 5.476 -13.985 292 HG3 GLU 42 HG3 GLU 42 184.136 5.815 -15.199 293 H GLU 43 H GLU 43 184.645 8.269 -12.723 294 HA GLU 43 HA GLU 43 183.125 8.515 -10.426 295 HB2 GLU 43 HB2 GLU 43 182.692 10.062 -12.983 296 HB3 GLU 43 HB3 GLU 43 182.255 10.571 -11.358 297 HG2 GLU 43 HG2 GLU 43 184.585 10.679 -10.732 298 HG3 GLU 43 HG3 GLU 43 185.050 10.085 -12.318 299 H MET 44 H MET 44 180.697 9.552 -11.007 300 HA MET 44 HA MET 44 179.151 7.646 -12.546 301 HB2 MET 44 HB2 MET 44 178.088 7.959 -9.811 302 HB3 MET 44 HB3 MET 44 178.103 6.549 -10.860 303 HG2 MET 44 HG2 MET 44 180.413 6.111 -10.286 304 HG3 MET 44 HG3 MET 44 180.465 7.568 -9.299 305 HE1 MET 44 HE1 MET 44 179.744 3.565 -8.789 306 HE2 MET 44 HE2 MET 44 178.779 4.352 -10.038 307 HE3 MET 44 HE3 MET 44 178.016 3.813 -8.542 308 H ASP 45 H ASP 45 177.123 8.400 -13.119 309 HA ASP 45 HA ASP 45 176.395 11.082 -12.158 310 HB2 ASP 45 HB2 ASP 45 177.494 11.233 -14.378 311 HB3 ASP 45 HB3 ASP 45 176.269 10.155 -15.036 312 H GLY 46 H GLY 46 175.328 8.802 -11.116 313 HA2 GLY 46 HA2 GLY 46 172.680 9.121 -11.009 314 HA3 GLY 46 HA3 GLY 46 172.893 8.138 -12.447 315 H LEU 47 H LEU 47 172.025 6.237 -11.726 316 HA LEU 47 HA LEU 47 173.355 4.999 -9.433 317 HB2 LEU 47 HB2 LEU 47 170.554 4.581 -10.455 318 HB3 LEU 47 HB3 LEU 47 171.271 3.819 -9.057 319 HG LEU 47 HG LEU 47 171.063 6.799 -9.248 320 HD11 LEU 47 HD11 LEU 47 168.837 5.265 -9.400 321 HD12 LEU 47 HD12 LEU 47 168.897 6.853 -8.634 322 HD13 LEU 47 HD13 LEU 47 169.027 5.395 -7.650 323 HD21 LEU 47 HD21 LEU 47 171.541 6.810 -7.002 324 HD22 LEU 47 HD22 LEU 47 172.484 5.421 -7.542 325 HD23 LEU 47 HD23 LEU 47 170.926 5.176 -6.748 326 H GLU 48 H GLU 48 174.932 4.350 -11.116 327 HA GLU 48 HA GLU 48 174.008 2.231 -12.905 328 HB2 GLU 48 HB2 GLU 48 176.431 3.951 -12.741 329 HB3 GLU 48 HB3 GLU 48 176.616 2.356 -13.457 330 HG2 GLU 48 HG2 GLU 48 174.297 3.570 -14.564 331 HG3 GLU 48 HG3 GLU 48 175.630 4.722 -14.645 332 H ALA 49 H ALA 49 174.713 0.126 -12.809 333 HA ALA 49 HA ALA 49 175.085 -1.076 -10.378 334 HB1 ALA 49 HB1 ALA 49 176.375 -2.446 -12.640 335 HB2 ALA 49 HB2 ALA 49 174.687 -1.987 -12.870 336 HB3 ALA 49 HB3 ALA 49 175.144 -3.019 -11.514 337 H GLY 50 H GLY 50 177.473 0.454 -12.373 338 HA2 GLY 50 HA2 GLY 50 179.750 0.694 -12.170 339 HA3 GLY 50 HA3 GLY 50 179.402 0.748 -10.449 340 H HIS 51 H HIS 51 180.190 -0.819 -9.198 341 HA HIS 51 HA HIS 51 180.909 -3.373 -10.407 342 HB2 HIS 51 HB2 HIS 51 182.939 -1.914 -10.378 343 HB3 HIS 51 HB3 HIS 51 182.807 -1.841 -8.626 344 HD1 HIS 51 HD1 HIS 51 182.158 -5.062 -10.404 345 HD2 HIS 51 HD2 HIS 51 185.223 -3.218 -8.292 346 HE1 HIS 51 HE1 HIS 51 183.848 -6.870 -9.958 347 HE2 HIS 51 HE2 HIS 51 185.736 -5.710 -8.758 348 H TRP 52 H TRP 52 181.589 -1.985 -7.209 349 HA TRP 52 HA TRP 52 180.698 -4.306 -5.861 350 HB2 TRP 52 HB2 TRP 52 181.203 -1.492 -4.872 351 HB3 TRP 52 HB3 TRP 52 180.827 -2.849 -3.814 352 HD1 TRP 52 HD1 TRP 52 182.667 -4.914 -3.846 353 HE1 TRP 52 HE1 TRP 52 185.218 -4.807 -4.134 354 HE3 TRP 52 HE3 TRP 52 183.052 -0.264 -5.927 355 HZ2 TRP 52 HZ2 TRP 52 187.147 -2.988 -5.113 356 HZ3 TRP 52 HZ3 TRP 52 185.284 0.587 -6.513 357 HH2 TRP 52 HH2 TRP 52 187.290 -0.747 -6.112 358 H ALA 53 H ALA 53 178.636 -4.743 -6.637 359 HA ALA 53 HA ALA 53 176.519 -2.918 -5.701 360 HB1 ALA 53 HB1 ALA 53 175.115 -4.007 -7.515 361 HB2 ALA 53 HB2 ALA 53 176.627 -4.656 -8.149 362 HB3 ALA 53 HB3 ALA 53 176.389 -2.911 -8.051 363 H ARG 54 H ARG 54 176.430 -3.964 -3.651 364 HA ARG 54 HA ARG 54 175.092 -6.575 -3.770 365 HB2 ARG 54 HB2 ARG 54 177.413 -6.930 -3.162 366 HB3 ARG 54 HB3 ARG 54 177.283 -5.756 -1.865 367 HG2 ARG 54 HG2 ARG 54 177.166 -7.898 -0.867 368 HG3 ARG 54 HG3 ARG 54 175.528 -7.239 -0.840 369 HD2 ARG 54 HD2 ARG 54 174.760 -8.716 -2.410 370 HD3 ARG 54 HD3 ARG 54 176.339 -8.892 -3.173 371 HE ARG 54 HE ARG 54 176.208 -9.991 -0.520 372 HH11 ARG 54 HH11 ARG 54 175.647 -10.616 -3.909 373 HH12 ARG 54 HH12 ARG 54 175.796 -12.333 -3.745 374 HH21 ARG 54 HH21 ARG 54 176.403 -12.250 -0.306 375 HH22 ARG 54 HH22 ARG 54 176.224 -13.261 -1.700 376 H ASP 55 H ASP 55 173.232 -6.641 -2.717 377 HA ASP 55 HA ASP 55 172.491 -4.437 -0.952 378 HB2 ASP 55 HB2 ASP 55 170.207 -5.589 -1.129 379 HB3 ASP 55 HB3 ASP 55 170.830 -4.814 -2.578 380 H ILE 56 H ILE 56 173.021 -4.737 1.127 381 HA ILE 56 HA ILE 56 173.015 -7.430 2.250 382 HB ILE 56 HB ILE 56 173.800 -4.891 3.671 383 HG12 ILE 56 HG12 ILE 56 175.552 -6.757 2.053 384 HG13 ILE 56 HG13 ILE 56 175.120 -5.110 1.605 385 HG21 ILE 56 HG21 ILE 56 175.341 -6.870 4.676 386 HG22 ILE 56 HG22 ILE 56 173.880 -7.769 4.270 387 HG23 ILE 56 HG23 ILE 56 173.789 -6.383 5.355 388 HD11 ILE 56 HD11 ILE 56 176.497 -4.178 3.195 389 HD12 ILE 56 HD12 ILE 56 177.416 -5.598 2.696 390 HD13 ILE 56 HD13 ILE 56 176.495 -5.627 4.199 391 H THR 57 H THR 57 171.696 -8.117 3.879 392 HA THR 57 HA THR 57 169.625 -6.249 4.820 393 HB THR 57 HB THR 57 167.905 -7.842 4.518 394 HG1 THR 57 HG1 THR 57 168.903 -9.707 5.193 395 HG21 THR 57 HG21 THR 57 168.976 -8.779 2.054 396 HG22 THR 57 HG22 THR 57 169.445 -7.095 2.287 397 HG23 THR 57 HG23 THR 57 167.742 -7.553 2.339 398 H LYS 58 H LYS 58 172.167 -7.355 5.985 399 HA LYS 58 HA LYS 58 171.002 -8.171 8.529 400 HB2 LYS 58 HB2 LYS 58 173.081 -9.756 7.023 401 HB3 LYS 58 HB3 LYS 58 172.807 -9.943 8.750 402 HG2 LYS 58 HG2 LYS 58 170.281 -10.152 7.588 403 HG3 LYS 58 HG3 LYS 58 171.359 -11.062 6.529 404 HD2 LYS 58 HD2 LYS 58 171.020 -12.735 7.994 405 HD3 LYS 58 HD3 LYS 58 172.210 -11.879 8.977 406 HE2 LYS 58 HE2 LYS 58 169.538 -10.807 9.322 407 HE3 LYS 58 HE3 LYS 58 169.613 -12.527 9.704 408 HZ1 LYS 58 HZ1 LYS 58 171.652 -11.894 11.074 409 HZ2 LYS 58 HZ2 LYS 58 170.135 -11.475 11.692 410 HZ3 LYS 58 HZ3 LYS 58 171.098 -10.299 10.949 411 HA PRO 59 HA PRO 59 174.072 -4.759 9.064 412 HB2 PRO 59 HB2 PRO 59 172.623 -4.805 11.667 413 HB3 PRO 59 HB3 PRO 59 173.081 -3.426 10.659 414 HG2 PRO 59 HG2 PRO 59 170.559 -4.286 10.733 415 HG3 PRO 59 HG3 PRO 59 171.286 -3.729 9.215 416 HD2 PRO 59 HD2 PRO 59 170.713 -6.507 10.136 417 HD3 PRO 59 HD3 PRO 59 170.637 -5.821 8.502 418 H LYS 60 H LYS 60 175.594 -4.366 10.888 419 HA LYS 60 HA LYS 60 176.448 -6.926 12.075 420 HB2 LYS 60 HB2 LYS 60 177.899 -5.309 10.422 421 HB3 LYS 60 HB3 LYS 60 178.393 -4.708 12.000 422 HG2 LYS 60 HG2 LYS 60 179.963 -6.333 11.607 423 HG3 LYS 60 HG3 LYS 60 178.763 -7.223 12.544 424 HD2 LYS 60 HD2 LYS 60 177.864 -8.233 10.581 425 HD3 LYS 60 HD3 LYS 60 178.807 -7.172 9.533 426 HE2 LYS 60 HE2 LYS 60 180.036 -9.140 11.453 427 HE3 LYS 60 HE3 LYS 60 179.684 -9.517 9.767 428 HZ1 LYS 60 HZ1 LYS 60 181.214 -7.093 10.243 429 HZ2 LYS 60 HZ2 LYS 60 181.392 -8.266 9.039 430 HZ3 LYS 60 HZ3 LYS 60 182.010 -8.545 10.588 431 H GLU 61 H GLU 61 174.449 -5.309 13.201 432 HA GLU 61 HA GLU 61 173.789 -4.683 15.268 433 HB2 GLU 61 HB2 GLU 61 176.672 -4.953 16.124 434 HB3 GLU 61 HB3 GLU 61 175.286 -4.792 17.188 435 HG2 GLU 61 HG2 GLU 61 174.696 -6.951 16.979 436 HG3 GLU 61 HG3 GLU 61 175.179 -7.033 15.285 437 H GLY 62 H GLY 62 173.184 -2.723 14.491 438 HA2 GLY 62 HA2 GLY 62 173.092 -0.430 14.622 439 HA3 GLY 62 HA3 GLY 62 174.516 -0.481 15.652 440 H ARG 63 H ARG 63 175.402 -2.228 13.052 441 HA ARG 63 HA ARG 63 175.929 -0.065 11.212 442 HB2 ARG 63 HB2 ARG 63 177.962 -0.983 13.143 443 HB3 ARG 63 HB3 ARG 63 178.511 -0.858 11.478 444 HG2 ARG 63 HG2 ARG 63 178.351 1.405 11.447 445 HG3 ARG 63 HG3 ARG 63 177.004 1.437 12.587 446 HD2 ARG 63 HD2 ARG 63 178.755 2.319 13.827 447 HD3 ARG 63 HD3 ARG 63 178.738 0.625 14.314 448 HE ARG 63 HE ARG 63 180.505 0.651 12.272 449 HH11 ARG 63 HH11 ARG 63 180.206 2.561 15.178 450 HH12 ARG 63 HH12 ARG 63 181.909 2.836 15.323 451 HH21 ARG 63 HH21 ARG 63 182.747 1.011 12.462 452 HH22 ARG 63 HH22 ARG 63 183.352 1.955 13.781 453 H TRP 64 H TRP 64 176.006 -0.861 9.159 454 HA TRP 64 HA TRP 64 176.025 -3.725 8.821 455 HB2 TRP 64 HB2 TRP 64 176.024 -1.667 6.633 456 HB3 TRP 64 HB3 TRP 64 175.510 -3.329 6.542 457 HD1 TRP 64 HD1 TRP 64 174.376 -0.218 8.585 458 HE1 TRP 64 HE1 TRP 64 171.809 -0.221 8.634 459 HE3 TRP 64 HE3 TRP 64 173.501 -4.514 5.946 460 HZ2 TRP 64 HZ2 TRP 64 169.688 -1.815 7.682 461 HZ3 TRP 64 HZ3 TRP 64 171.169 -5.205 5.561 462 HH2 TRP 64 HH2 TRP 64 169.299 -3.880 6.416 463 H THR 65 H THR 65 177.496 -4.857 7.564 464 HA THR 65 HA THR 65 180.046 -3.530 6.990 465 HB THR 65 HB THR 65 180.012 -6.272 8.212 466 HG1 THR 65 HG1 THR 65 180.208 -3.848 9.667 467 HG21 THR 65 HG21 THR 65 182.225 -6.070 8.413 468 HG22 THR 65 HG22 THR 65 182.130 -4.371 8.877 469 HG23 THR 65 HG23 THR 65 182.053 -4.825 7.175 470 H PHE 66 H PHE 66 180.647 -3.888 4.968 471 HA PHE 66 HA PHE 66 179.651 -6.305 3.610 472 HB2 PHE 66 HB2 PHE 66 178.846 -4.212 2.609 473 HB3 PHE 66 HB3 PHE 66 180.504 -3.658 2.418 474 HD1 PHE 66 HD1 PHE 66 179.010 -6.993 1.727 475 HD2 PHE 66 HD2 PHE 66 180.853 -3.500 0.140 476 HE1 PHE 66 HE1 PHE 66 179.112 -8.057 -0.488 477 HE2 PHE 66 HE2 PHE 66 180.956 -4.559 -2.080 478 HZ PHE 66 HZ PHE 66 180.085 -6.841 -2.395 479 H ARG 67 H ARG 67 181.073 -7.585 2.440 480 HA ARG 67 HA ARG 67 183.899 -6.835 2.433 481 HB2 ARG 67 HB2 ARG 67 182.688 -9.034 3.986 482 HB3 ARG 67 HB3 ARG 67 184.131 -9.460 3.077 483 HG2 ARG 67 HG2 ARG 67 185.446 -7.878 4.228 484 HG3 ARG 67 HG3 ARG 67 184.025 -7.090 4.919 485 HD2 ARG 67 HD2 ARG 67 183.679 -9.598 5.842 486 HD3 ARG 67 HD3 ARG 67 185.439 -9.541 5.757 487 HE ARG 67 HE ARG 67 184.261 -7.262 7.058 488 HH11 ARG 67 HH11 ARG 67 185.448 -10.516 7.493 489 HH12 ARG 67 HH12 ARG 67 185.771 -10.306 9.182 490 HH21 ARG 67 HH21 ARG 67 184.687 -6.985 9.279 491 HH22 ARG 67 HH22 ARG 67 185.339 -8.303 10.195 492 H ASP 68 H ASP 68 184.613 -7.044 0.436 493 HA ASP 68 HA ASP 68 183.630 -9.291 -1.196 494 HB2 ASP 68 HB2 ASP 68 182.681 -7.040 -1.869 495 HB3 ASP 68 HB3 ASP 68 184.321 -6.564 -2.298 496 H ARG 69 H ARG 69 185.348 -10.630 -1.110 497 HA ARG 69 HA ARG 69 188.051 -9.595 -1.367 498 HB2 ARG 69 HB2 ARG 69 186.927 -12.338 -0.835 499 HB3 ARG 69 HB3 ARG 69 188.640 -12.064 -1.122 500 HG2 ARG 69 HG2 ARG 69 188.867 -11.671 1.044 501 HG3 ARG 69 HG3 ARG 69 187.920 -10.198 0.823 502 HD2 ARG 69 HD2 ARG 69 185.861 -11.487 1.216 503 HD3 ARG 69 HD3 ARG 69 186.833 -12.933 1.485 504 HE ARG 69 HE ARG 69 187.536 -10.728 3.191 505 HH11 ARG 69 HH11 ARG 69 185.426 -13.480 2.792 506 HH12 ARG 69 HH12 ARG 69 185.133 -13.659 4.489 507 HH21 ARG 69 HH21 ARG 69 187.152 -10.963 5.423 508 HH22 ARG 69 HH22 ARG 69 186.113 -12.231 5.984 509 H ASN 70 H ASN 70 186.057 -9.610 -3.649 510 HA ASN 70 HA ASN 70 187.740 -11.082 -5.565 511 HB2 ASN 70 HB2 ASN 70 184.788 -10.976 -5.270 512 HB3 ASN 70 HB3 ASN 70 185.417 -10.931 -6.914 513 HD21 ASN 70 HD21 ASN 70 184.110 -12.997 -6.834 514 HD22 ASN 70 HD22 ASN 70 184.973 -14.436 -6.423 515 H ALA 71 H ALA 71 187.921 -8.303 -4.625 516 HA ALA 71 HA ALA 71 187.337 -6.887 -7.140 517 HB1 ALA 71 HB1 ALA 71 188.016 -5.238 -4.820 518 HB2 ALA 71 HB2 ALA 71 186.547 -6.192 -4.623 519 HB3 ALA 71 HB3 ALA 71 186.699 -5.078 -5.982 520 H LYS 72 H LYS 72 189.113 -6.932 -8.374 521 HA LYS 72 HA LYS 72 191.757 -7.031 -7.292 522 HB2 LYS 72 HB2 LYS 72 190.975 -8.002 -9.516 523 HB3 LYS 72 HB3 LYS 72 191.027 -6.360 -10.140 524 HG2 LYS 72 HG2 LYS 72 193.288 -6.298 -10.185 525 HG3 LYS 72 HG3 LYS 72 193.456 -7.339 -8.769 526 HD2 LYS 72 HD2 LYS 72 194.218 -8.700 -10.481 527 HD3 LYS 72 HD3 LYS 72 192.528 -9.189 -10.336 528 HE2 LYS 72 HE2 LYS 72 192.991 -8.938 -12.655 529 HE3 LYS 72 HE3 LYS 72 191.997 -7.565 -12.169 530 HZ1 LYS 72 HZ1 LYS 72 193.580 -6.412 -13.241 531 HZ2 LYS 72 HZ2 LYS 72 194.746 -7.628 -13.090 532 HZ3 LYS 72 HZ3 LYS 72 194.446 -6.581 -11.798 533 H LEU 73 H LEU 73 191.580 -5.100 -5.941 534 HA LEU 73 HA LEU 73 191.449 -2.521 -7.209 535 HB2 LEU 73 HB2 LEU 73 192.331 -3.197 -4.404 536 HB3 LEU 73 HB3 LEU 73 191.837 -1.623 -4.997 537 HG LEU 73 HG LEU 73 189.862 -3.830 -5.213 538 HD11 LEU 73 HD11 LEU 73 189.138 -3.517 -2.904 539 HD12 LEU 73 HD12 LEU 73 190.523 -2.467 -2.608 540 HD13 LEU 73 HD13 LEU 73 190.774 -4.174 -2.979 541 HD21 LEU 73 HD21 LEU 73 188.550 -1.715 -4.243 542 HD22 LEU 73 HD22 LEU 73 188.883 -1.930 -5.961 543 HD23 LEU 73 HD23 LEU 73 189.916 -0.883 -4.987 544 H LYS 74 H LYS 74 193.228 -0.895 -6.811 545 HA LYS 74 HA LYS 74 195.886 -2.121 -6.862 546 HB2 LYS 74 HB2 LYS 74 194.550 -1.002 -9.130 547 HB3 LYS 74 HB3 LYS 74 195.925 0.018 -8.729 548 HG2 LYS 74 HG2 LYS 74 196.976 -2.512 -8.557 549 HG3 LYS 74 HG3 LYS 74 195.846 -2.641 -9.906 550 HD2 LYS 74 HD2 LYS 74 197.774 -1.944 -10.970 551 HD3 LYS 74 HD3 LYS 74 196.948 -0.411 -10.682 552 HE2 LYS 74 HE2 LYS 74 199.214 -0.093 -10.055 553 HE3 LYS 74 HE3 LYS 74 198.286 -0.211 -8.562 554 HZ1 LYS 74 HZ1 LYS 74 199.188 -2.224 -8.049 555 HZ2 LYS 74 HZ2 LYS 74 200.493 -1.548 -8.887 556 HZ3 LYS 74 HZ3 LYS 74 199.474 -2.653 -9.660 557 H LEU 75 H LEU 75 197.584 -0.793 -6.230 558 HA LEU 75 HA LEU 75 196.941 1.131 -4.258 559 HB2 LEU 75 HB2 LEU 75 199.026 -0.445 -4.579 560 HB3 LEU 75 HB3 LEU 75 199.671 0.918 -5.470 561 HG LEU 75 HG LEU 75 200.462 0.895 -3.161 562 HD11 LEU 75 HD11 LEU 75 199.538 3.050 -4.545 563 HD12 LEU 75 HD12 LEU 75 200.450 3.125 -3.037 564 HD13 LEU 75 HD13 LEU 75 198.691 3.213 -3.008 565 HD21 LEU 75 HD21 LEU 75 197.634 1.402 -2.287 566 HD22 LEU 75 HD22 LEU 75 199.050 1.073 -1.289 567 HD23 LEU 75 HD23 LEU 75 198.356 -0.206 -2.285 568 H GLY 76 H GLY 76 196.765 3.270 -4.336 569 HA2 GLY 76 HA2 GLY 76 197.251 5.443 -5.115 570 HA3 GLY 76 HA3 GLY 76 197.877 4.742 -6.598 571 H ASP 77 H ASP 77 195.442 3.024 -6.829 572 HA ASP 77 HA ASP 77 193.979 4.616 -8.563 573 HB2 ASP 77 HB2 ASP 77 194.052 2.083 -8.463 574 HB3 ASP 77 HB3 ASP 77 192.888 2.189 -7.147 575 H LYS 78 H LYS 78 191.730 5.273 -8.426 576 HA LYS 78 HA LYS 78 191.055 6.242 -5.726 577 HB2 LYS 78 HB2 LYS 78 191.481 7.800 -7.823 578 HB3 LYS 78 HB3 LYS 78 189.815 7.382 -8.196 579 HG2 LYS 78 HG2 LYS 78 189.172 9.012 -6.842 580 HG3 LYS 78 HG3 LYS 78 189.813 8.077 -5.490 581 HD2 LYS 78 HD2 LYS 78 192.027 9.321 -6.694 582 HD3 LYS 78 HD3 LYS 78 190.763 10.549 -6.613 583 HE2 LYS 78 HE2 LYS 78 191.755 10.811 -4.560 584 HE3 LYS 78 HE3 LYS 78 190.478 9.660 -4.167 585 HZ1 LYS 78 HZ1 LYS 78 192.043 7.874 -4.254 586 HZ2 LYS 78 HZ2 LYS 78 192.673 9.069 -3.238 587 HZ3 LYS 78 HZ3 LYS 78 193.275 8.894 -4.808 588 H ILE 79 H ILE 79 188.731 6.433 -5.258 589 HA ILE 79 HA ILE 79 187.184 4.307 -6.566 590 HB ILE 79 HB ILE 79 187.513 4.842 -3.643 591 HG12 ILE 79 HG12 ILE 79 188.295 2.842 -5.565 592 HG13 ILE 79 HG13 ILE 79 188.787 3.012 -3.889 593 HG21 ILE 79 HG21 ILE 79 185.178 3.468 -4.964 594 HG22 ILE 79 HG22 ILE 79 185.134 4.861 -3.884 595 HG23 ILE 79 HG23 ILE 79 185.594 3.277 -3.261 596 HD11 ILE 79 HD11 ILE 79 186.643 1.812 -3.284 597 HD12 ILE 79 HD12 ILE 79 187.883 0.855 -4.097 598 HD13 ILE 79 HD13 ILE 79 186.487 1.442 -5.001 599 H TYR 80 H TYR 80 184.939 4.506 -6.661 600 HA TYR 80 HA TYR 80 183.734 7.062 -5.932 601 HB2 TYR 80 HB2 TYR 80 183.666 5.957 -8.754 602 HB3 TYR 80 HB3 TYR 80 182.748 7.347 -8.182 603 HD1 TYR 80 HD1 TYR 80 186.158 6.095 -8.874 604 HD2 TYR 80 HD2 TYR 80 183.746 9.497 -8.033 605 HE1 TYR 80 HE1 TYR 80 188.044 7.564 -9.447 606 HE2 TYR 80 HE2 TYR 80 185.626 10.978 -8.605 607 HH TYR 80 HH TYR 80 187.731 10.802 -10.064 608 H PHE 81 H PHE 81 181.674 6.722 -5.130 609 HA PHE 81 HA PHE 81 180.102 4.501 -6.098 610 HB2 PHE 81 HB2 PHE 81 179.904 3.584 -3.682 611 HB3 PHE 81 HB3 PHE 81 181.291 3.131 -4.653 612 HD1 PHE 81 HD1 PHE 81 180.391 6.045 -2.505 613 HD2 PHE 81 HD2 PHE 81 183.230 3.010 -3.416 614 HE1 PHE 81 HE1 PHE 81 181.866 6.905 -0.738 615 HE2 PHE 81 HE2 PHE 81 184.711 3.865 -1.646 616 HZ PHE 81 HZ PHE 81 184.030 5.815 -0.306 617 H TRP 82 H TRP 82 178.258 4.082 -4.453 618 HA TRP 82 HA TRP 82 177.267 6.391 -3.060 619 HB2 TRP 82 HB2 TRP 82 175.242 6.700 -4.333 620 HB3 TRP 82 HB3 TRP 82 176.611 6.869 -5.422 621 HD1 TRP 82 HD1 TRP 82 176.993 4.890 -7.220 622 HE1 TRP 82 HE1 TRP 82 175.339 3.218 -8.253 623 HE3 TRP 82 HE3 TRP 82 173.197 5.313 -3.826 624 HZ2 TRP 82 HZ2 TRP 82 172.756 2.205 -7.698 625 HZ3 TRP 82 HZ3 TRP 82 171.168 3.959 -4.150 626 HH2 TRP 82 HH2 TRP 82 170.955 2.436 -6.045 627 H THR 83 H THR 83 176.026 5.728 -1.363 628 HA THR 83 HA THR 83 175.484 2.838 -1.259 629 HB THR 83 HB THR 83 174.947 3.718 1.258 630 HG1 THR 83 HG1 THR 83 176.604 5.231 1.736 631 HG21 THR 83 HG21 THR 83 176.593 1.944 0.445 632 HG22 THR 83 HG22 THR 83 176.969 2.800 1.940 633 HG23 THR 83 HG23 THR 83 177.784 3.243 0.439 634 H TYR 84 H TYR 84 173.485 2.115 -0.135 635 HA TYR 84 HA TYR 84 171.246 3.978 -0.348 636 HB2 TYR 84 HB2 TYR 84 171.397 2.877 -2.531 637 HB3 TYR 84 HB3 TYR 84 171.378 1.303 -1.744 638 HD1 TYR 84 HD1 TYR 84 169.302 4.414 -1.545 639 HD2 TYR 84 HD2 TYR 84 169.382 0.186 -2.017 640 HE1 TYR 84 HE1 TYR 84 166.848 4.390 -1.691 641 HE2 TYR 84 HE2 TYR 84 166.927 0.151 -2.166 642 HH TYR 84 HH TYR 84 165.100 1.928 -2.884 643 H VAL 85 H VAL 85 170.060 3.813 1.457 644 HA VAL 85 HA VAL 85 170.042 1.220 2.862 645 HB VAL 85 HB VAL 85 170.787 2.248 4.695 646 HG11 VAL 85 HG11 VAL 85 171.141 4.758 4.745 647 HG12 VAL 85 HG12 VAL 85 170.520 4.776 3.094 648 HG13 VAL 85 HG13 VAL 85 171.981 3.865 3.477 649 HG21 VAL 85 HG21 VAL 85 168.493 2.444 5.389 650 HG22 VAL 85 HG22 VAL 85 168.307 3.955 4.498 651 HG23 VAL 85 HG23 VAL 85 169.369 3.885 5.903 652 H ILE 86 H ILE 86 168.054 0.867 4.207 653 HA ILE 86 HA ILE 86 165.673 2.223 3.146 654 HB ILE 86 HB ILE 86 165.862 -0.776 3.450 655 HG12 ILE 86 HG12 ILE 86 167.151 0.084 1.529 656 HG13 ILE 86 HG13 ILE 86 165.769 -0.892 1.040 657 HG21 ILE 86 HG21 ILE 86 163.654 -0.348 1.982 658 HG22 ILE 86 HG22 ILE 86 163.649 1.115 2.967 659 HG23 ILE 86 HG23 ILE 86 163.643 -0.470 3.741 660 HD11 ILE 86 HD11 ILE 86 166.381 1.881 0.476 661 HD12 ILE 86 HD12 ILE 86 164.739 1.638 1.070 662 HD13 ILE 86 HD13 ILE 86 165.302 0.760 -0.350 663 H LYS 87 H LYS 87 164.849 3.150 4.888 664 HA LYS 87 HA LYS 87 164.869 1.706 7.442 665 HB2 LYS 87 HB2 LYS 87 165.783 4.132 7.109 666 HB3 LYS 87 HB3 LYS 87 164.086 4.586 7.155 667 HG2 LYS 87 HG2 LYS 87 163.925 3.405 9.359 668 HG3 LYS 87 HG3 LYS 87 165.680 3.232 9.315 669 HD2 LYS 87 HD2 LYS 87 165.639 5.200 10.419 670 HD3 LYS 87 HD3 LYS 87 165.439 5.870 8.800 671 HE2 LYS 87 HE2 LYS 87 163.208 6.302 9.104 672 HE3 LYS 87 HE3 LYS 87 163.011 5.016 10.294 673 HZ1 LYS 87 HZ1 LYS 87 164.559 7.481 10.845 674 HZ2 LYS 87 HZ2 LYS 87 164.004 6.333 11.955 675 HZ3 LYS 87 HZ3 LYS 87 162.904 7.350 11.170 676 H ASP 88 H ASP 88 163.090 0.362 6.553 677 HA ASP 88 HA ASP 88 160.899 -0.250 6.467 678 HB2 ASP 88 HB2 ASP 88 161.201 1.089 8.795 679 HB3 ASP 88 HB3 ASP 88 159.970 2.090 8.030 680 H GLY 89 H GLY 89 161.673 1.082 4.242 681 HA2 GLY 89 HA2 GLY 89 160.497 1.837 2.364 682 HA3 GLY 89 HA3 GLY 89 159.173 2.318 3.415 683 H LEU 90 H LEU 90 162.484 3.241 4.011 684 HA LEU 90 HA LEU 90 162.043 5.914 2.909 685 HB2 LEU 90 HB2 LEU 90 163.090 5.655 5.705 686 HB3 LEU 90 HB3 LEU 90 162.427 7.068 4.903 687 HG LEU 90 HG LEU 90 160.771 4.660 5.604 688 HD11 LEU 90 HD11 LEU 90 160.964 7.221 7.177 689 HD12 LEU 90 HD12 LEU 90 161.807 5.736 7.618 690 HD13 LEU 90 HD13 LEU 90 160.043 5.772 7.584 691 HD21 LEU 90 HD21 LEU 90 160.209 6.591 3.851 692 HD22 LEU 90 HD22 LEU 90 159.660 7.386 5.329 693 HD23 LEU 90 HD23 LEU 90 158.979 5.828 4.861 694 H GLY 91 H GLY 91 163.596 4.927 1.443 695 HA2 GLY 91 HA2 GLY 91 166.192 4.315 2.399 696 HA3 GLY 91 HA3 GLY 91 165.708 4.366 0.725 697 H TYR 92 H TYR 92 168.136 5.226 1.673 698 HA TYR 92 HA TYR 92 168.166 7.954 0.692 699 HB2 TYR 92 HB2 TYR 92 169.439 7.320 3.366 700 HB3 TYR 92 HB3 TYR 92 169.378 8.885 2.564 701 HD1 TYR 92 HD1 TYR 92 167.058 9.933 2.208 702 HD2 TYR 92 HD2 TYR 92 167.775 6.707 4.888 703 HE1 TYR 92 HE1 TYR 92 164.973 10.466 3.398 704 HE2 TYR 92 HE2 TYR 92 165.693 7.230 6.083 705 HH TYR 92 HH TYR 92 163.641 8.366 5.807 706 H ARG 93 H ARG 93 170.296 8.530 -0.130 707 HA ARG 93 HA ARG 93 172.195 6.299 -0.070 708 HB2 ARG 93 HB2 ARG 93 172.680 6.614 -2.430 709 HB3 ARG 93 HB3 ARG 93 170.972 6.241 -2.184 710 HG2 ARG 93 HG2 ARG 93 171.842 9.086 -2.370 711 HG3 ARG 93 HG3 ARG 93 171.682 8.120 -3.838 712 HD2 ARG 93 HD2 ARG 93 169.360 7.511 -2.633 713 HD3 ARG 93 HD3 ARG 93 169.613 9.135 -1.990 714 HE ARG 93 HE ARG 93 169.944 8.937 -4.843 715 HH11 ARG 93 HH11 ARG 93 167.667 9.438 -2.246 716 HH12 ARG 93 HH12 ARG 93 166.530 10.284 -3.240 717 HH21 ARG 93 HH21 ARG 93 168.448 10.048 -6.152 718 HH22 ARG 93 HH22 ARG 93 166.971 10.628 -5.457 719 H GLN 94 H GLN 94 174.330 6.749 -0.255 720 HA GLN 94 HA GLN 94 175.074 9.569 0.122 721 HB2 GLN 94 HB2 GLN 94 175.638 7.767 1.921 722 HB3 GLN 94 HB3 GLN 94 176.868 7.245 0.778 723 HG2 GLN 94 HG2 GLN 94 177.427 9.846 0.814 724 HG3 GLN 94 HG3 GLN 94 176.725 9.691 2.423 725 HE21 GLN 94 HE21 GLN 94 179.545 9.940 1.085 726 HE22 GLN 94 HE22 GLN 94 180.493 8.837 2.017 727 H ASP 95 H ASP 95 174.802 9.654 -2.222 728 HA ASP 95 HA ASP 95 176.727 8.230 -3.837 729 HB2 ASP 95 HB2 ASP 95 175.676 9.393 -5.731 730 HB3 ASP 95 HB3 ASP 95 174.479 8.606 -4.709 731 H ASN 96 H ASN 96 177.684 9.735 -5.678 732 HA ASN 96 HA ASN 96 179.326 11.203 -6.225 733 HB2 ASN 96 HB2 ASN 96 177.606 12.880 -5.725 734 HB3 ASN 96 HB3 ASN 96 178.067 12.852 -4.029 735 HD21 ASN 96 HD21 ASN 96 179.687 14.119 -3.354 736 HD22 ASN 96 HD22 ASN 96 180.661 15.106 -4.384 737 H GLY 97 H GLY 97 179.543 9.231 -3.867 738 HA2 GLY 97 HA2 GLY 97 181.536 10.471 -2.177 739 HA3 GLY 97 HA3 GLY 97 181.007 8.797 -2.110 740 H GLU 98 H GLU 98 183.655 9.485 -1.860 741 HA GLU 98 HA GLU 98 184.775 8.006 -4.077 742 HB2 GLU 98 HB2 GLU 98 184.878 10.311 -4.907 743 HB3 GLU 98 HB3 GLU 98 185.730 10.807 -3.451 744 HG2 GLU 98 HG2 GLU 98 187.390 8.887 -4.251 745 HG3 GLU 98 HG3 GLU 98 186.708 9.327 -5.817 746 H TRP 99 H TRP 99 186.298 6.658 -3.354 747 HA TRP 99 HA TRP 99 187.579 7.283 -0.777 748 HB2 TRP 99 HB2 TRP 99 185.974 5.463 -0.513 749 HB3 TRP 99 HB3 TRP 99 186.744 4.572 -1.821 750 HD1 TRP 99 HD1 TRP 99 187.764 5.984 1.658 751 HE1 TRP 99 HE1 TRP 99 189.464 4.345 2.689 752 HE3 TRP 99 HE3 TRP 99 188.085 2.651 -2.178 753 HZ2 TRP 99 HZ2 TRP 99 190.773 1.951 1.949 754 HZ3 TRP 99 HZ3 TRP 99 189.579 0.714 -1.954 755 HH2 TRP 99 HH2 TRP 99 190.890 0.379 0.068 756 H THR 100 H THR 100 189.678 5.948 -0.487 757 HA THR 100 HA THR 100 191.226 6.195 -2.979 758 HB THR 100 HB THR 100 191.717 7.639 -0.915 759 HG1 THR 100 HG1 THR 100 193.188 7.159 -2.718 760 HG21 THR 100 HG21 THR 100 191.964 5.101 0.336 761 HG22 THR 100 HG22 THR 100 192.243 6.703 1.025 762 HG23 THR 100 HG23 THR 100 193.571 5.830 0.261 763 H VAL 101 H VAL 101 193.072 4.819 -3.257 764 HA VAL 101 HA VAL 101 192.879 2.192 -1.935 765 HB VAL 101 HB VAL 101 193.852 2.353 -4.763 766 HG11 VAL 101 HG11 VAL 101 194.158 0.319 -3.402 767 HG12 VAL 101 HG12 VAL 101 193.152 0.042 -4.823 768 HG13 VAL 101 HG13 VAL 101 192.407 0.191 -3.232 769 HG21 VAL 101 HG21 VAL 101 191.864 2.895 -5.610 770 HG22 VAL 101 HG22 VAL 101 191.179 3.030 -3.991 771 HG23 VAL 101 HG23 VAL 101 191.159 1.481 -4.831 772 H THR 102 H THR 102 194.576 4.784 -1.839 773 HA THR 102 HA THR 102 197.167 4.273 -2.712 774 HB THR 102 HB THR 102 197.829 5.913 -0.898 775 HG1 THR 102 HG1 THR 102 196.181 5.477 0.577 776 HG21 THR 102 HG21 THR 102 197.270 6.740 -3.102 777 HG22 THR 102 HG22 THR 102 196.650 7.825 -1.856 778 HG23 THR 102 HG23 THR 102 195.554 6.725 -2.692 779 H GLU 103 H GLU 103 195.451 3.002 0.012 780 HA GLU 103 HA GLU 103 197.857 1.494 0.755 781 HB2 GLU 103 HB2 GLU 103 195.993 2.807 2.742 782 HB3 GLU 103 HB3 GLU 103 197.374 1.791 3.136 783 HG2 GLU 103 HG2 GLU 103 198.893 3.417 2.227 784 HG3 GLU 103 HG3 GLU 103 197.548 4.407 1.661 785 H PHE 104 H PHE 104 197.376 -0.446 2.048 786 HA PHE 104 HA PHE 104 194.643 -1.449 1.635 787 HB2 PHE 104 HB2 PHE 104 197.249 -2.845 1.006 788 HB3 PHE 104 HB3 PHE 104 195.728 -3.710 1.189 789 HD1 PHE 104 HD1 PHE 104 197.014 -0.720 -0.651 790 HD2 PHE 104 HD2 PHE 104 194.638 -4.249 -0.743 791 HE1 PHE 104 HE1 PHE 104 196.509 -0.315 -3.024 792 HE2 PHE 104 HE2 PHE 104 194.132 -3.851 -3.119 793 HZ PHE 104 HZ PHE 104 195.069 -1.882 -4.264 794 H VAL 105 H VAL 105 193.887 -2.858 3.249 795 HA VAL 105 HA VAL 105 195.488 -2.791 5.697 796 HB VAL 105 HB VAL 105 193.461 -3.320 6.925 797 HG11 VAL 105 HG11 VAL 105 192.146 -1.280 6.375 798 HG12 VAL 105 HG12 VAL 105 193.138 -1.079 4.932 799 HG13 VAL 105 HG13 VAL 105 193.879 -0.994 6.530 800 HG21 VAL 105 HG21 VAL 105 192.567 -4.414 4.533 801 HG22 VAL 105 HG22 VAL 105 191.560 -2.984 4.749 802 HG23 VAL 105 HG23 VAL 105 191.625 -4.214 6.010 803 H ASN 106 H ASN 106 195.236 -4.732 7.129 804 HA ASN 106 HA ASN 106 195.979 -7.088 5.606 805 HB2 ASN 106 HB2 ASN 106 196.383 -6.085 8.348 806 HB3 ASN 106 HB3 ASN 106 196.216 -7.831 8.199 807 HD21 ASN 106 HD21 ASN 106 198.479 -5.814 8.704 808 HD22 ASN 106 HD22 ASN 106 199.746 -6.377 7.675 809 H GLU 107 H GLU 107 195.077 -9.133 5.869 810 HA GLU 107 HA GLU 107 192.292 -9.275 5.989 811 HB2 GLU 107 HB2 GLU 107 192.677 -11.753 6.355 812 HB3 GLU 107 HB3 GLU 107 193.462 -11.069 4.938 813 HG2 GLU 107 HG2 GLU 107 195.364 -10.804 6.917 814 HG3 GLU 107 HG3 GLU 107 194.612 -12.359 7.267 815 H ASP 108 H ASP 108 194.645 -8.977 8.427 816 HA ASP 108 HA ASP 108 193.228 -10.177 10.590 817 HB2 ASP 108 HB2 ASP 108 195.612 -8.413 10.299 818 HB3 ASP 108 HB3 ASP 108 194.821 -8.457 11.872 819 H GLY 109 H GLY 109 193.213 -7.031 9.041 820 HA2 GLY 109 HA2 GLY 109 191.065 -5.834 9.247 821 HA3 GLY 109 HA3 GLY 109 191.116 -6.207 10.961 822 H THR 110 H THR 110 194.118 -5.334 9.517 823 HA THR 110 HA THR 110 193.765 -2.524 10.213 824 HB THR 110 HB THR 110 195.492 -2.372 11.742 825 HG1 THR 110 HG1 THR 110 196.354 -4.920 10.845 826 HG21 THR 110 HG21 THR 110 193.515 -3.880 12.521 827 HG22 THR 110 HG22 THR 110 194.961 -3.712 13.519 828 HG23 THR 110 HG23 THR 110 194.743 -5.147 12.515 829 HA PRO 111 HA PRO 111 196.126 -1.262 6.829 830 HB2 PRO 111 HB2 PRO 111 198.214 -0.297 8.747 831 HB3 PRO 111 HB3 PRO 111 197.482 0.539 7.371 832 HG2 PRO 111 HG2 PRO 111 196.698 1.080 9.860 833 HG3 PRO 111 HG3 PRO 111 195.529 1.018 8.529 834 HD2 PRO 111 HD2 PRO 111 195.995 -0.929 10.724 835 HD3 PRO 111 HD3 PRO 111 194.505 -0.565 9.848 836 H ALA 112 H ALA 112 197.290 -2.385 5.482 837 HA ALA 112 HA ALA 112 198.755 -4.657 6.197 838 HB1 ALA 112 HB1 ALA 112 199.078 -3.212 3.592 839 HB2 ALA 112 HB2 ALA 112 197.616 -4.117 3.988 840 HB3 ALA 112 HB3 ALA 112 199.171 -4.945 3.913 841 H ASP 113 H ASP 113 200.816 -4.970 6.746 842 HA ASP 113 HA ASP 113 202.762 -2.829 6.229 843 HB2 ASP 113 HB2 ASP 113 201.743 -3.202 8.706 844 HB3 ASP 113 HB3 ASP 113 203.093 -4.333 8.758 845 H THR 114 H THR 114 205.013 -3.926 7.238 846 HA THR 114 HA THR 114 205.334 -6.328 5.577 847 HB THR 114 HB THR 114 207.494 -4.503 6.641 848 HG1 THR 114 HG1 THR 114 206.079 -4.470 4.195 849 HG21 THR 114 HG21 THR 114 208.773 -6.213 5.967 850 HG22 THR 114 HG22 THR 114 208.466 -5.552 4.361 851 HG23 THR 114 HG23 THR 114 207.504 -6.906 4.957 852 H SER 115 H SER 115 204.546 -7.785 7.162 853 HA SER 115 HA SER 115 205.580 -7.960 9.785 854 HB2 SER 115 HB2 SER 115 204.352 -10.175 8.125 855 HB3 SER 115 HB3 SER 115 204.491 -10.132 9.883 856 HG SER 115 HG SER 115 202.878 -8.528 8.206 857 H LEU 116 H LEU 116 206.801 -9.873 10.618 858 HA LEU 116 HA LEU 116 208.452 -11.439 8.975 859 HB2 LEU 116 HB2 LEU 116 209.334 -8.772 9.220 860 HB3 LEU 116 HB3 LEU 116 210.393 -9.731 10.236 861 HG LEU 116 HG LEU 116 209.855 -10.301 7.320 862 HD11 LEU 116 HD11 LEU 116 211.236 -8.169 8.209 863 HD12 LEU 116 HD12 LEU 116 211.626 -9.041 6.726 864 HD13 LEU 116 HD13 LEU 116 212.511 -9.388 8.212 865 HD21 LEU 116 HD21 LEU 116 212.230 -11.353 8.720 866 HD22 LEU 116 HD22 LEU 116 211.211 -12.098 7.488 867 HD23 LEU 116 HD23 LEU 116 210.680 -12.066 9.170 868 H GLU 117 H GLU 117 207.835 -13.011 10.456 869 HA GLU 117 HA GLU 117 208.732 -12.681 13.226 870 HB2 GLU 117 HB2 GLU 117 206.682 -14.353 11.872 871 HB3 GLU 117 HB3 GLU 117 207.470 -15.045 13.283 872 HG2 GLU 117 HG2 GLU 117 206.714 -13.289 14.680 873 HG3 GLU 117 HG3 GLU 117 206.177 -12.335 13.297 874 HA PRO 118 HA PRO 118 212.222 -15.313 12.509 875 HB2 PRO 118 HB2 PRO 118 212.764 -16.062 15.049 876 HB3 PRO 118 HB3 PRO 118 213.073 -14.426 14.458 877 HG2 PRO 118 HG2 PRO 118 210.773 -15.452 16.074 878 HG3 PRO 118 HG3 PRO 118 211.696 -13.951 16.270 879 HD2 PRO 118 HD2 PRO 118 209.268 -14.046 15.053 880 HD3 PRO 118 HD3 PRO 118 210.520 -12.866 14.619 Start of MODEL 11 1 H GLN 6 H GLN 6 161.299 10.965 8.712 2 HA GLN 6 HA GLN 6 162.943 10.361 6.970 3 HB2 GLN 6 HB2 GLN 6 161.489 12.574 7.447 4 HB3 GLN 6 HB3 GLN 6 163.097 13.284 7.461 5 HG2 GLN 6 HG2 GLN 6 163.049 11.632 5.217 6 HG3 GLN 6 HG3 GLN 6 161.480 12.437 5.238 7 HE21 GLN 6 HE21 GLN 6 161.426 14.732 5.217 8 HE22 GLN 6 HE22 GLN 6 162.747 15.639 4.571 9 H TYR 7 H TYR 7 164.826 9.342 7.898 10 HA TYR 7 HA TYR 7 166.909 11.091 8.932 11 HB2 TYR 7 HB2 TYR 7 166.480 8.907 9.991 12 HB3 TYR 7 HB3 TYR 7 166.940 8.095 8.507 13 HD1 TYR 7 HD1 TYR 7 168.315 10.639 10.881 14 HD2 TYR 7 HD2 TYR 7 169.085 7.259 8.414 15 HE1 TYR 7 HE1 TYR 7 170.649 10.614 11.654 16 HE2 TYR 7 HE2 TYR 7 171.422 7.225 9.179 17 HH TYR 7 HH TYR 7 172.514 8.635 11.816 18 H VAL 8 H VAL 8 169.186 10.487 8.106 19 HA VAL 8 HA VAL 8 169.117 10.632 5.162 20 HB VAL 8 HB VAL 8 171.332 11.652 6.931 21 HG11 VAL 8 HG11 VAL 8 170.710 11.777 4.015 22 HG12 VAL 8 HG12 VAL 8 172.236 11.424 4.825 23 HG13 VAL 8 HG13 VAL 8 171.630 13.079 4.769 24 HG21 VAL 8 HG21 VAL 8 170.170 13.902 6.025 25 HG22 VAL 8 HG22 VAL 8 169.795 13.176 7.587 26 HG23 VAL 8 HG23 VAL 8 168.749 12.875 6.200 27 H VAL 9 H VAL 9 170.965 9.727 4.012 28 HA VAL 9 HA VAL 9 171.528 7.081 4.847 29 HB VAL 9 HB VAL 9 171.374 7.614 2.495 30 HG11 VAL 9 HG11 VAL 9 172.162 9.578 1.813 31 HG12 VAL 9 HG12 VAL 9 173.758 8.832 1.798 32 HG13 VAL 9 HG13 VAL 9 173.218 9.727 3.218 33 HG21 VAL 9 HG21 VAL 9 174.217 6.827 3.122 34 HG22 VAL 9 HG22 VAL 9 173.288 6.419 1.678 35 HG23 VAL 9 HG23 VAL 9 172.835 5.738 3.240 36 HA PRO 10 HA PRO 10 175.112 7.814 7.391 37 HB2 PRO 10 HB2 PRO 10 175.879 5.037 6.818 38 HB3 PRO 10 HB3 PRO 10 175.431 5.780 8.353 39 HG2 PRO 10 HG2 PRO 10 173.829 4.026 7.086 40 HG3 PRO 10 HG3 PRO 10 173.192 5.365 8.057 41 HD2 PRO 10 HD2 PRO 10 173.423 5.118 5.086 42 HD3 PRO 10 HD3 PRO 10 172.118 5.817 6.065 43 H SER 11 H SER 11 177.563 6.924 7.259 44 HA SER 11 HA SER 11 178.490 7.637 4.564 45 HB2 SER 11 HB2 SER 11 179.091 9.076 6.603 46 HB3 SER 11 HB3 SER 11 180.152 7.749 7.071 47 HG SER 11 HG SER 11 180.701 9.685 5.406 48 H ALA 12 H ALA 12 179.482 6.139 3.376 49 HA ALA 12 HA ALA 12 180.065 3.559 4.550 50 HB1 ALA 12 HB1 ALA 12 179.528 4.593 1.896 51 HB2 ALA 12 HB2 ALA 12 179.293 2.971 2.548 52 HB3 ALA 12 HB3 ALA 12 180.868 3.446 1.911 53 H LYS 13 H LYS 13 181.909 3.388 5.647 54 HA LYS 13 HA LYS 13 184.327 4.718 4.683 55 HB2 LYS 13 HB2 LYS 13 183.405 4.385 7.201 56 HB3 LYS 13 HB3 LYS 13 184.433 2.966 7.073 57 HG2 LYS 13 HG2 LYS 13 186.317 4.169 7.178 58 HG3 LYS 13 HG3 LYS 13 185.683 5.437 6.128 59 HD2 LYS 13 HD2 LYS 13 184.682 5.157 8.935 60 HD3 LYS 13 HD3 LYS 13 186.207 5.983 8.611 61 HE2 LYS 13 HE2 LYS 13 184.986 7.446 7.000 62 HE3 LYS 13 HE3 LYS 13 183.483 6.691 7.532 63 HZ1 LYS 13 HZ1 LYS 13 185.217 7.781 9.607 64 HZ2 LYS 13 HZ2 LYS 13 183.529 7.775 9.500 65 HZ3 LYS 13 HZ3 LYS 13 184.427 8.902 8.613 66 H LEU 14 H LEU 14 185.670 3.674 3.353 67 HA LEU 14 HA LEU 14 185.519 0.741 3.262 68 HB2 LEU 14 HB2 LEU 14 186.442 2.724 1.191 69 HB3 LEU 14 HB3 LEU 14 186.508 0.983 0.995 70 HG LEU 14 HG LEU 14 184.005 0.949 1.295 71 HD11 LEU 14 HD11 LEU 14 182.941 3.203 0.711 72 HD12 LEU 14 HD12 LEU 14 184.465 3.910 1.244 73 HD13 LEU 14 HD13 LEU 14 183.494 2.957 2.366 74 HD21 LEU 14 HD21 LEU 14 183.596 1.953 -1.007 75 HD22 LEU 14 HD22 LEU 14 184.805 0.675 -0.896 76 HD23 LEU 14 HD23 LEU 14 185.311 2.359 -1.012 77 H GLU 15 H GLU 15 187.426 -0.466 2.796 78 HA GLU 15 HA GLU 15 190.000 0.746 3.390 79 HB2 GLU 15 HB2 GLU 15 188.641 -0.382 5.458 80 HB3 GLU 15 HB3 GLU 15 189.507 -1.781 4.838 81 HG2 GLU 15 HG2 GLU 15 191.228 -1.122 6.062 82 HG3 GLU 15 HG3 GLU 15 191.427 0.205 4.919 83 H ALA 16 H ALA 16 191.691 -0.324 2.329 84 HA ALA 16 HA ALA 16 190.819 -2.296 0.374 85 HB1 ALA 16 HB1 ALA 16 193.248 -2.112 -0.388 86 HB2 ALA 16 HB2 ALA 16 193.391 -0.801 0.782 87 HB3 ALA 16 HB3 ALA 16 192.239 -0.677 -0.549 88 H ILE 17 H ILE 17 190.895 -4.398 0.690 89 HA ILE 17 HA ILE 17 192.491 -5.487 2.874 90 HB ILE 17 HB ILE 17 190.590 -7.011 1.099 91 HG12 ILE 17 HG12 ILE 17 189.415 -5.089 2.107 92 HG13 ILE 17 HG13 ILE 17 188.855 -6.617 2.776 93 HG21 ILE 17 HG21 ILE 17 192.373 -7.942 2.901 94 HG22 ILE 17 HG22 ILE 17 190.854 -8.746 2.506 95 HG23 ILE 17 HG23 ILE 17 190.960 -7.714 3.930 96 HD11 ILE 17 HD11 ILE 17 189.181 -5.735 4.779 97 HD12 ILE 17 HD12 ILE 17 190.033 -4.348 4.101 98 HD13 ILE 17 HD13 ILE 17 190.913 -5.833 4.463 99 H TYR 18 H TYR 18 194.294 -6.643 2.610 100 HA TYR 18 HA TYR 18 195.280 -7.066 -0.100 101 HB2 TYR 18 HB2 TYR 18 196.536 -6.161 2.126 102 HB3 TYR 18 HB3 TYR 18 196.949 -7.870 2.208 103 HD1 TYR 18 HD1 TYR 18 196.726 -5.294 -0.502 104 HD2 TYR 18 HD2 TYR 18 199.026 -8.352 1.357 105 HE1 TYR 18 HE1 TYR 18 198.520 -4.933 -2.144 106 HE2 TYR 18 HE2 TYR 18 200.828 -7.999 -0.280 107 HH TYR 18 HH TYR 18 200.922 -5.303 -2.358 108 HA PRO 19 HA PRO 19 196.558 -8.120 -1.179 109 HB2 PRO 19 HB2 PRO 19 196.950 -10.008 -3.024 110 HB3 PRO 19 HB3 PRO 19 197.865 -10.005 -1.512 111 HG2 PRO 19 HG2 PRO 19 195.639 -11.763 -2.369 112 HG3 PRO 19 HG3 PRO 19 196.977 -12.100 -1.258 113 HD2 PRO 19 HD2 PRO 19 194.300 -11.349 -0.596 114 HD3 PRO 19 HD3 PRO 19 195.660 -11.594 0.514 115 H ARG 20 H ARG 20 193.479 -9.409 -1.213 116 HA ARG 20 HA ARG 20 192.641 -7.710 -3.317 117 HB2 ARG 20 HB2 ARG 20 193.402 -10.263 -4.102 118 HB3 ARG 20 HB3 ARG 20 191.650 -10.358 -3.988 119 HG2 ARG 20 HG2 ARG 20 191.319 -8.838 -5.676 120 HG3 ARG 20 HG3 ARG 20 192.890 -8.071 -5.440 121 HD2 ARG 20 HD2 ARG 20 193.596 -9.264 -7.185 122 HD3 ARG 20 HD3 ARG 20 193.526 -10.672 -6.127 123 HE ARG 20 HE ARG 20 191.022 -10.048 -7.394 124 HH11 ARG 20 HH11 ARG 20 194.054 -11.743 -7.726 125 HH12 ARG 20 HH12 ARG 20 193.438 -12.877 -8.880 126 HH21 ARG 20 HH21 ARG 20 190.209 -11.539 -8.913 127 HH22 ARG 20 HH22 ARG 20 191.254 -12.760 -9.555 128 H GLY 21 H GLY 21 191.242 -6.790 -1.878 129 HA2 GLY 21 HA2 GLY 21 188.717 -7.999 -1.542 130 HA3 GLY 21 HA3 GLY 21 189.611 -8.115 -0.044 131 H LEU 22 H LEU 22 187.342 -6.755 0.115 132 HA LEU 22 HA LEU 22 188.255 -4.052 0.628 133 HB2 LEU 22 HB2 LEU 22 187.188 -4.354 -1.775 134 HB3 LEU 22 HB3 LEU 22 185.689 -4.256 -0.872 135 HG LEU 22 HG LEU 22 186.326 -2.079 -1.780 136 HD11 LEU 22 HD11 LEU 22 185.562 -0.972 0.017 137 HD12 LEU 22 HD12 LEU 22 186.828 -1.601 1.073 138 HD13 LEU 22 HD13 LEU 22 185.409 -2.585 0.715 139 HD21 LEU 22 HD21 LEU 22 188.420 -1.343 -1.778 140 HD22 LEU 22 HD22 LEU 22 188.916 -2.855 -1.019 141 HD23 LEU 22 HD23 LEU 22 188.506 -1.462 -0.020 142 H ARG 23 H ARG 23 187.424 -3.312 2.473 143 HA ARG 23 HA ARG 23 185.006 -4.622 3.531 144 HB2 ARG 23 HB2 ARG 23 187.256 -5.112 4.679 145 HB3 ARG 23 HB3 ARG 23 187.175 -3.454 5.259 146 HG2 ARG 23 HG2 ARG 23 184.806 -4.166 6.092 147 HG3 ARG 23 HG3 ARG 23 185.476 -5.795 5.968 148 HD2 ARG 23 HD2 ARG 23 187.473 -4.757 7.296 149 HD3 ARG 23 HD3 ARG 23 186.283 -3.538 7.752 150 HE ARG 23 HE ARG 23 185.017 -5.861 8.297 151 HH11 ARG 23 HH11 ARG 23 188.150 -4.598 9.171 152 HH12 ARG 23 HH12 ARG 23 188.211 -5.445 10.681 153 HH21 ARG 23 HH21 ARG 23 185.094 -6.978 10.281 154 HH22 ARG 23 HH22 ARG 23 186.476 -6.797 11.311 155 H VAL 24 H VAL 24 183.344 -3.260 3.566 156 HA VAL 24 HA VAL 24 183.878 -0.394 3.979 157 HB VAL 24 HB VAL 24 181.348 -1.538 2.828 158 HG11 VAL 24 HG11 VAL 24 182.502 1.148 3.228 159 HG12 VAL 24 HG12 VAL 24 180.819 0.622 3.232 160 HG13 VAL 24 HG13 VAL 24 181.657 0.879 1.702 161 HG21 VAL 24 HG21 VAL 24 182.712 -2.298 1.174 162 HG22 VAL 24 HG22 VAL 24 183.977 -1.121 1.524 163 HG23 VAL 24 HG23 VAL 24 182.540 -0.628 0.631 164 H SER 25 H SER 25 182.196 0.818 5.162 165 HA SER 25 HA SER 25 180.460 -0.700 6.908 166 HB2 SER 25 HB2 SER 25 182.145 1.175 8.438 167 HB3 SER 25 HB3 SER 25 181.530 -0.415 8.885 168 HG SER 25 HG SER 25 183.174 -1.343 7.632 169 H ILE 26 H ILE 26 178.771 0.485 7.734 170 HA ILE 26 HA ILE 26 178.751 3.386 7.240 171 HB ILE 26 HB ILE 26 176.350 3.127 6.423 172 HG12 ILE 26 HG12 ILE 26 176.915 0.522 5.246 173 HG13 ILE 26 HG13 ILE 26 176.824 0.453 7.001 174 HG21 ILE 26 HG21 ILE 26 178.145 3.826 4.961 175 HG22 ILE 26 HG22 ILE 26 177.051 2.741 4.104 176 HG23 ILE 26 HG23 ILE 26 178.607 2.146 4.686 177 HD11 ILE 26 HD11 ILE 26 174.615 1.218 7.026 178 HD12 ILE 26 HD12 ILE 26 174.683 0.052 5.705 179 HD13 ILE 26 HD13 ILE 26 174.701 1.781 5.358 180 HA PRO 27 HA PRO 27 177.119 3.208 11.417 181 HB2 PRO 27 HB2 PRO 27 176.140 5.819 11.378 182 HB3 PRO 27 HB3 PRO 27 177.756 5.336 11.890 183 HG2 PRO 27 HG2 PRO 27 176.854 6.488 9.305 184 HG3 PRO 27 HG3 PRO 27 178.389 6.704 10.160 185 HD2 PRO 27 HD2 PRO 27 178.145 5.123 7.979 186 HD3 PRO 27 HD3 PRO 27 179.292 4.774 9.288 187 H ASP 28 H ASP 28 175.423 1.818 11.190 188 HA ASP 28 HA ASP 28 173.094 2.301 9.688 189 HB2 ASP 28 HB2 ASP 28 173.726 0.046 10.280 190 HB3 ASP 28 HB3 ASP 28 173.615 0.419 11.995 191 H ASP 29 H ASP 29 170.919 2.499 10.507 192 HA ASP 29 HA ASP 29 170.610 3.808 13.093 193 HB2 ASP 29 HB2 ASP 29 170.924 5.438 10.989 194 HB3 ASP 29 HB3 ASP 29 169.204 5.106 10.810 195 H GLY 30 H GLY 30 169.902 1.260 12.433 196 HA2 GLY 30 HA2 GLY 30 168.138 -0.165 12.714 197 HA3 GLY 30 HA3 GLY 30 167.150 1.243 13.036 198 H PHE 31 H PHE 31 168.966 0.437 10.106 199 HA PHE 31 HA PHE 31 166.606 0.929 8.510 200 HB2 PHE 31 HB2 PHE 31 169.296 -0.022 7.526 201 HB3 PHE 31 HB3 PHE 31 168.042 0.796 6.600 202 HD1 PHE 31 HD1 PHE 31 167.321 3.074 8.161 203 HD2 PHE 31 HD2 PHE 31 171.157 1.304 7.656 204 HE1 PHE 31 HE1 PHE 31 168.381 5.237 8.665 205 HE2 PHE 31 HE2 PHE 31 172.223 3.461 8.162 206 HZ PHE 31 HZ PHE 31 170.835 5.431 8.666 207 H SER 32 H SER 32 166.829 -0.715 6.426 208 HA SER 32 HA SER 32 166.624 -3.437 7.477 209 HB2 SER 32 HB2 SER 32 164.387 -2.032 6.960 210 HB3 SER 32 HB3 SER 32 164.706 -2.664 5.344 211 HG SER 32 HG SER 32 163.748 -4.380 6.095 212 H LEU 33 H LEU 33 167.389 -1.262 4.825 213 HA LEU 33 HA LEU 33 168.769 -3.542 3.573 214 HB2 LEU 33 HB2 LEU 33 166.471 -2.955 2.464 215 HB3 LEU 33 HB3 LEU 33 167.364 -1.614 1.794 216 HG LEU 33 HG LEU 33 169.042 -3.294 0.925 217 HD11 LEU 33 HD11 LEU 33 168.690 -5.518 1.036 218 HD12 LEU 33 HD12 LEU 33 166.935 -5.358 0.966 219 HD13 LEU 33 HD13 LEU 33 167.786 -5.077 2.485 220 HD21 LEU 33 HD21 LEU 33 166.468 -3.882 -0.399 221 HD22 LEU 33 HD22 LEU 33 167.988 -3.291 -1.072 222 HD23 LEU 33 HD23 LEU 33 166.904 -2.182 -0.233 223 H PHE 34 H PHE 34 170.715 -3.104 2.796 224 HA PHE 34 HA PHE 34 171.513 -0.293 2.489 225 HB2 PHE 34 HB2 PHE 34 172.444 -1.143 4.570 226 HB3 PHE 34 HB3 PHE 34 173.114 -2.533 3.732 227 HD1 PHE 34 HD1 PHE 34 173.163 1.179 3.308 228 HD2 PHE 34 HD2 PHE 34 175.370 -2.459 3.379 229 HE1 PHE 34 HE1 PHE 34 175.231 2.429 2.852 230 HE2 PHE 34 HE2 PHE 34 177.444 -1.216 2.925 231 HZ PHE 34 HZ PHE 34 177.376 1.232 2.661 232 H ALA 35 H ALA 35 171.291 -0.395 0.237 233 HA ALA 35 HA ALA 35 172.703 -2.438 -1.257 234 HB1 ALA 35 HB1 ALA 35 170.854 -1.964 -2.472 235 HB2 ALA 35 HB2 ALA 35 171.900 -0.721 -3.157 236 HB3 ALA 35 HB3 ALA 35 170.758 -0.306 -1.880 237 H PHE 36 H PHE 36 174.741 -2.273 -1.938 238 HA PHE 36 HA PHE 36 175.982 0.399 -1.914 239 HB2 PHE 36 HB2 PHE 36 176.901 -1.119 -0.213 240 HB3 PHE 36 HB3 PHE 36 177.288 -2.291 -1.467 241 HD1 PHE 36 HD1 PHE 36 178.885 -1.501 -3.335 242 HD2 PHE 36 HD2 PHE 36 178.466 0.461 0.417 243 HE1 PHE 36 HE1 PHE 36 181.084 -0.443 -3.647 244 HE2 PHE 36 HE2 PHE 36 180.662 1.524 0.111 245 HZ PHE 36 HZ PHE 36 181.975 1.073 -1.922 246 H HIS 37 H HIS 37 176.621 1.182 -3.789 247 HA HIS 37 HA HIS 37 177.237 -0.654 -5.996 248 HB2 HIS 37 HB2 HIS 37 175.216 1.352 -5.789 249 HB3 HIS 37 HB3 HIS 37 176.404 1.878 -6.965 250 HD1 HIS 37 HD1 HIS 37 173.709 1.273 -8.069 251 HD2 HIS 37 HD2 HIS 37 176.592 -1.672 -7.590 252 HE1 HIS 37 HE1 HIS 37 173.024 -0.587 -9.613 253 HE2 HIS 37 HE2 HIS 37 174.848 -2.311 -9.389 254 H GLY 38 H GLY 38 179.353 -0.420 -6.657 255 HA2 GLY 38 HA2 GLY 38 180.484 2.268 -6.682 256 HA3 GLY 38 HA3 GLY 38 181.225 1.164 -5.540 257 H LYS 39 H LYS 39 182.283 2.548 -7.909 258 HA LYS 39 HA LYS 39 183.280 0.178 -9.344 259 HB2 LYS 39 HB2 LYS 39 181.861 2.360 -10.428 260 HB3 LYS 39 HB3 LYS 39 183.536 2.582 -10.918 261 HG2 LYS 39 HG2 LYS 39 182.886 -0.145 -11.307 262 HG3 LYS 39 HG3 LYS 39 181.579 0.825 -11.990 263 HD2 LYS 39 HD2 LYS 39 182.951 0.846 -13.793 264 HD3 LYS 39 HD3 LYS 39 183.681 2.200 -12.927 265 HE2 LYS 39 HE2 LYS 39 185.315 0.521 -13.788 266 HE3 LYS 39 HE3 LYS 39 185.404 0.802 -12.050 267 HZ1 LYS 39 HZ1 LYS 39 183.664 -1.358 -12.924 268 HZ2 LYS 39 HZ2 LYS 39 184.694 -1.272 -11.586 269 HZ3 LYS 39 HZ3 LYS 39 185.326 -1.616 -13.117 270 H LEU 40 H LEU 40 185.475 0.336 -10.112 271 HA LEU 40 HA LEU 40 187.130 1.912 -8.301 272 HB2 LEU 40 HB2 LEU 40 187.447 -0.579 -8.714 273 HB3 LEU 40 HB3 LEU 40 188.064 -0.142 -10.295 274 HG LEU 40 HG LEU 40 189.885 1.117 -9.262 275 HD11 LEU 40 HD11 LEU 40 189.305 1.976 -7.254 276 HD12 LEU 40 HD12 LEU 40 190.070 0.498 -6.669 277 HD13 LEU 40 HD13 LEU 40 188.315 0.583 -6.816 278 HD21 LEU 40 HD21 LEU 40 189.855 -1.473 -9.613 279 HD22 LEU 40 HD22 LEU 40 189.900 -1.510 -7.850 280 HD23 LEU 40 HD23 LEU 40 191.187 -0.706 -8.748 281 H ASN 41 H ASN 41 187.800 3.844 -8.930 282 HA ASN 41 HA ASN 41 188.548 5.572 -10.204 283 HB2 ASN 41 HB2 ASN 41 190.232 3.620 -10.754 284 HB3 ASN 41 HB3 ASN 41 189.465 3.684 -12.337 285 HD21 ASN 41 HD21 ASN 41 189.250 5.989 -13.202 286 HD22 ASN 41 HD22 ASN 41 190.657 6.980 -13.053 287 H GLU 42 H GLU 42 186.177 5.913 -10.514 288 HA GLU 42 HA GLU 42 185.575 6.766 -13.055 289 HB2 GLU 42 HB2 GLU 42 185.499 4.412 -13.732 290 HB3 GLU 42 HB3 GLU 42 184.318 4.076 -12.473 291 HG2 GLU 42 HG2 GLU 42 182.730 5.573 -13.558 292 HG3 GLU 42 HG3 GLU 42 183.914 5.923 -14.815 293 H GLU 43 H GLU 43 184.445 8.423 -12.389 294 HA GLU 43 HA GLU 43 182.958 8.633 -10.054 295 HB2 GLU 43 HB2 GLU 43 182.477 10.209 -12.584 296 HB3 GLU 43 HB3 GLU 43 182.080 10.698 -10.941 297 HG2 GLU 43 HG2 GLU 43 184.420 10.812 -10.375 298 HG3 GLU 43 HG3 GLU 43 184.852 10.224 -11.973 299 H MET 44 H MET 44 180.514 9.669 -10.652 300 HA MET 44 HA MET 44 179.011 7.647 -12.116 301 HB2 MET 44 HB2 MET 44 178.030 8.316 -9.375 302 HB3 MET 44 HB3 MET 44 177.724 6.886 -10.351 303 HG2 MET 44 HG2 MET 44 180.114 6.236 -9.974 304 HG3 MET 44 HG3 MET 44 180.218 7.562 -8.818 305 HE1 MET 44 HE1 MET 44 178.044 4.383 -9.735 306 HE2 MET 44 HE2 MET 44 178.260 3.490 -8.229 307 HE3 MET 44 HE3 MET 44 179.661 3.896 -9.221 308 H ASP 45 H ASP 45 177.063 8.360 -12.902 309 HA ASP 45 HA ASP 45 176.204 11.070 -12.181 310 HB2 ASP 45 HB2 ASP 45 177.604 11.118 -14.261 311 HB3 ASP 45 HB3 ASP 45 176.409 10.084 -15.031 312 H GLY 46 H GLY 46 174.566 9.915 -10.990 313 HA2 GLY 46 HA2 GLY 46 172.307 9.497 -10.846 314 HA3 GLY 46 HA3 GLY 46 172.252 9.393 -12.583 315 H LEU 47 H LEU 47 172.498 7.737 -9.680 316 HA LEU 47 HA LEU 47 173.117 5.511 -9.203 317 HB2 LEU 47 HB2 LEU 47 170.653 4.940 -10.750 318 HB3 LEU 47 HB3 LEU 47 171.098 4.474 -9.121 319 HG LEU 47 HG LEU 47 170.392 7.308 -9.838 320 HD11 LEU 47 HD11 LEU 47 168.523 5.290 -8.616 321 HD12 LEU 47 HD12 LEU 47 168.535 5.671 -10.337 322 HD13 LEU 47 HD13 LEU 47 168.157 6.926 -9.158 323 HD21 LEU 47 HD21 LEU 47 171.664 6.435 -7.676 324 HD22 LEU 47 HD22 LEU 47 170.009 6.113 -7.152 325 HD23 LEU 47 HD23 LEU 47 170.488 7.748 -7.612 326 H GLU 48 H GLU 48 174.874 4.730 -10.248 327 HA GLU 48 HA GLU 48 174.448 3.527 -12.901 328 HB2 GLU 48 HB2 GLU 48 176.756 4.867 -11.619 329 HB3 GLU 48 HB3 GLU 48 177.134 3.462 -12.606 330 HG2 GLU 48 HG2 GLU 48 175.613 5.897 -13.508 331 HG3 GLU 48 HG3 GLU 48 177.292 5.517 -13.891 332 H ALA 49 H ALA 49 174.903 1.388 -13.247 333 HA ALA 49 HA ALA 49 174.549 -0.438 -11.237 334 HB1 ALA 49 HB1 ALA 49 175.325 -2.140 -12.782 335 HB2 ALA 49 HB2 ALA 49 176.072 -0.903 -13.793 336 HB3 ALA 49 HB3 ALA 49 174.318 -0.959 -13.619 337 H GLY 50 H GLY 50 177.484 1.175 -12.161 338 HA2 GLY 50 HA2 GLY 50 179.665 0.969 -11.445 339 HA3 GLY 50 HA3 GLY 50 178.905 0.748 -9.876 340 H HIS 51 H HIS 51 180.768 -0.589 -9.388 341 HA HIS 51 HA HIS 51 180.748 -3.203 -10.693 342 HB2 HIS 51 HB2 HIS 51 182.916 -1.946 -10.478 343 HB3 HIS 51 HB3 HIS 51 182.792 -2.152 -8.734 344 HD1 HIS 51 HD1 HIS 51 181.563 -5.139 -10.316 345 HD2 HIS 51 HD2 HIS 51 185.311 -3.614 -9.371 346 HE1 HIS 51 HE1 HIS 51 183.126 -7.108 -10.377 347 HE2 HIS 51 HE2 HIS 51 185.403 -6.146 -9.892 348 H TRP 52 H TRP 52 181.481 -2.228 -7.350 349 HA TRP 52 HA TRP 52 180.475 -4.618 -6.246 350 HB2 TRP 52 HB2 TRP 52 180.988 -1.913 -4.988 351 HB3 TRP 52 HB3 TRP 52 180.574 -3.362 -4.073 352 HD1 TRP 52 HD1 TRP 52 182.402 -5.439 -4.279 353 HE1 TRP 52 HE1 TRP 52 184.962 -5.324 -4.472 354 HE3 TRP 52 HE3 TRP 52 182.881 -0.594 -5.839 355 HZ2 TRP 52 HZ2 TRP 52 186.933 -3.427 -5.188 356 HZ3 TRP 52 HZ3 TRP 52 185.138 0.293 -6.256 357 HH2 TRP 52 HH2 TRP 52 187.120 -1.095 -5.936 358 H ALA 53 H ALA 53 178.415 -4.998 -7.017 359 HA ALA 53 HA ALA 53 176.319 -3.142 -6.096 360 HB1 ALA 53 HB1 ALA 53 176.621 -3.412 -8.599 361 HB2 ALA 53 HB2 ALA 53 174.997 -3.690 -7.971 362 HB3 ALA 53 HB3 ALA 53 176.024 -5.059 -8.393 363 H ARG 54 H ARG 54 175.993 -4.152 -4.086 364 HA ARG 54 HA ARG 54 174.523 -6.659 -4.261 365 HB2 ARG 54 HB2 ARG 54 176.885 -7.213 -3.825 366 HB3 ARG 54 HB3 ARG 54 176.830 -6.247 -2.368 367 HG2 ARG 54 HG2 ARG 54 174.674 -8.115 -2.313 368 HG3 ARG 54 HG3 ARG 54 176.173 -8.970 -2.682 369 HD2 ARG 54 HD2 ARG 54 176.206 -6.961 -0.491 370 HD3 ARG 54 HD3 ARG 54 175.404 -8.502 -0.191 371 HE ARG 54 HE ARG 54 177.781 -9.259 -1.211 372 HH11 ARG 54 HH11 ARG 54 176.905 -7.075 1.367 373 HH12 ARG 54 HH12 ARG 54 178.351 -7.367 2.274 374 HH21 ARG 54 HH21 ARG 54 179.683 -9.642 -0.019 375 HH22 ARG 54 HH22 ARG 54 179.928 -8.825 1.487 376 H ASP 55 H ASP 55 172.714 -6.543 -3.124 377 HA ASP 55 HA ASP 55 172.306 -4.359 -1.256 378 HB2 ASP 55 HB2 ASP 55 169.940 -5.284 -1.257 379 HB3 ASP 55 HB3 ASP 55 170.522 -4.649 -2.788 380 H ILE 56 H ILE 56 172.340 -4.564 0.898 381 HA ILE 56 HA ILE 56 172.579 -7.271 2.017 382 HB ILE 56 HB ILE 56 173.189 -4.706 3.474 383 HG12 ILE 56 HG12 ILE 56 175.091 -6.401 1.837 384 HG13 ILE 56 HG13 ILE 56 174.548 -4.778 1.422 385 HG21 ILE 56 HG21 ILE 56 174.851 -6.564 4.478 386 HG22 ILE 56 HG22 ILE 56 173.500 -7.591 3.994 387 HG23 ILE 56 HG23 ILE 56 173.235 -6.254 5.113 388 HD11 ILE 56 HD11 ILE 56 176.605 -5.659 3.309 389 HD12 ILE 56 HD12 ILE 56 175.558 -4.370 3.899 390 HD13 ILE 56 HD13 ILE 56 176.460 -4.156 2.399 391 H THR 57 H THR 57 171.527 -7.700 4.100 392 HA THR 57 HA THR 57 169.266 -5.996 4.774 393 HB THR 57 HB THR 57 168.387 -7.503 3.040 394 HG1 THR 57 HG1 THR 57 166.717 -7.223 4.275 395 HG21 THR 57 HG21 THR 57 169.916 -9.479 4.354 396 HG22 THR 57 HG22 THR 57 168.926 -9.636 2.904 397 HG23 THR 57 HG23 THR 57 168.218 -9.930 4.492 398 H LYS 58 H LYS 58 171.617 -6.545 6.212 399 HA LYS 58 HA LYS 58 170.562 -7.249 8.719 400 HB2 LYS 58 HB2 LYS 58 170.895 -9.512 7.363 401 HB3 LYS 58 HB3 LYS 58 172.552 -9.317 7.915 402 HG2 LYS 58 HG2 LYS 58 171.584 -9.065 10.250 403 HG3 LYS 58 HG3 LYS 58 170.069 -9.653 9.563 404 HD2 LYS 58 HD2 LYS 58 172.705 -11.112 9.417 405 HD3 LYS 58 HD3 LYS 58 171.442 -11.439 10.601 406 HE2 LYS 58 HE2 LYS 58 171.226 -11.717 7.607 407 HE3 LYS 58 HE3 LYS 58 171.289 -13.027 8.786 408 HZ1 LYS 58 HZ1 LYS 58 169.195 -12.156 9.726 409 HZ2 LYS 58 HZ2 LYS 58 169.033 -12.682 8.126 410 HZ3 LYS 58 HZ3 LYS 58 169.120 -11.027 8.467 411 HA PRO 59 HA PRO 59 174.210 -4.477 8.969 412 HB2 PRO 59 HB2 PRO 59 173.136 -4.484 11.754 413 HB3 PRO 59 HB3 PRO 59 173.692 -3.125 10.770 414 HG2 PRO 59 HG2 PRO 59 171.091 -3.564 11.129 415 HG3 PRO 59 HG3 PRO 59 171.711 -3.031 9.556 416 HD2 PRO 59 HD2 PRO 59 170.770 -5.726 10.410 417 HD3 PRO 59 HD3 PRO 59 170.645 -4.935 8.826 418 H LYS 60 H LYS 60 175.914 -4.374 10.807 419 HA LYS 60 HA LYS 60 176.665 -7.149 11.459 420 HB2 LYS 60 HB2 LYS 60 178.219 -5.886 9.985 421 HB3 LYS 60 HB3 LYS 60 178.436 -4.703 11.267 422 HG2 LYS 60 HG2 LYS 60 180.227 -5.952 11.769 423 HG3 LYS 60 HG3 LYS 60 179.046 -6.972 12.594 424 HD2 LYS 60 HD2 LYS 60 178.878 -7.959 10.085 425 HD3 LYS 60 HD3 LYS 60 180.567 -7.449 10.112 426 HE2 LYS 60 HE2 LYS 60 179.658 -8.900 12.503 427 HE3 LYS 60 HE3 LYS 60 179.667 -9.844 11.013 428 HZ1 LYS 60 HZ1 LYS 60 181.891 -8.753 12.533 429 HZ2 LYS 60 HZ2 LYS 60 182.039 -8.672 10.850 430 HZ3 LYS 60 HZ3 LYS 60 181.802 -10.166 11.607 431 H GLU 61 H GLU 61 177.080 -3.863 12.737 432 HA GLU 61 HA GLU 61 176.057 -4.530 15.296 433 HB2 GLU 61 HB2 GLU 61 178.412 -5.518 15.330 434 HB3 GLU 61 HB3 GLU 61 178.999 -3.863 15.249 435 HG2 GLU 61 HG2 GLU 61 178.106 -3.332 17.360 436 HG3 GLU 61 HG3 GLU 61 177.124 -4.797 17.397 437 H GLY 62 H GLY 62 174.764 -2.788 14.608 438 HA2 GLY 62 HA2 GLY 62 174.145 -0.571 14.827 439 HA3 GLY 62 HA3 GLY 62 175.743 -0.233 15.487 440 H ARG 63 H ARG 63 176.341 -1.913 12.774 441 HA ARG 63 HA ARG 63 175.977 0.157 10.795 442 HB2 ARG 63 HB2 ARG 63 178.823 -0.652 11.299 443 HB3 ARG 63 HB3 ARG 63 178.212 0.737 10.416 444 HG2 ARG 63 HG2 ARG 63 177.435 1.682 12.591 445 HG3 ARG 63 HG3 ARG 63 178.261 0.348 13.399 446 HD2 ARG 63 HD2 ARG 63 180.381 1.062 12.529 447 HD3 ARG 63 HD3 ARG 63 179.607 2.286 11.523 448 HE ARG 63 HE ARG 63 179.435 3.658 13.359 449 HH11 ARG 63 HH11 ARG 63 180.344 0.450 14.397 450 HH12 ARG 63 HH12 ARG 63 180.699 0.941 16.017 451 HH21 ARG 63 HH21 ARG 63 179.903 4.302 15.491 452 HH22 ARG 63 HH22 ARG 63 180.449 3.126 16.641 453 H TRP 64 H TRP 64 176.291 -0.613 8.672 454 HA TRP 64 HA TRP 64 176.244 -3.490 8.453 455 HB2 TRP 64 HB2 TRP 64 176.097 -1.425 6.259 456 HB3 TRP 64 HB3 TRP 64 175.668 -3.115 6.144 457 HD1 TRP 64 HD1 TRP 64 174.516 -0.229 8.485 458 HE1 TRP 64 HE1 TRP 64 171.956 -0.331 8.641 459 HE3 TRP 64 HE3 TRP 64 173.651 -4.247 5.431 460 HZ2 TRP 64 HZ2 TRP 64 169.845 -1.881 7.613 461 HZ3 TRP 64 HZ3 TRP 64 171.324 -4.969 5.078 462 HH2 TRP 64 HH2 TRP 64 169.459 -3.811 6.151 463 H THR 65 H THR 65 177.589 -4.613 6.899 464 HA THR 65 HA THR 65 180.189 -3.339 6.420 465 HB THR 65 HB THR 65 180.007 -6.194 7.342 466 HG1 THR 65 HG1 THR 65 180.267 -3.879 8.955 467 HG21 THR 65 HG21 THR 65 182.192 -4.168 7.139 468 HG22 THR 65 HG22 THR 65 182.140 -5.822 6.527 469 HG23 THR 65 HG23 THR 65 182.310 -5.526 8.258 470 H PHE 66 H PHE 66 180.637 -3.411 4.338 471 HA PHE 66 HA PHE 66 179.474 -5.539 2.687 472 HB2 PHE 66 HB2 PHE 66 179.133 -3.114 2.067 473 HB3 PHE 66 HB3 PHE 66 180.862 -3.025 1.749 474 HD1 PHE 66 HD1 PHE 66 181.776 -4.853 0.094 475 HD2 PHE 66 HD2 PHE 66 177.715 -3.604 0.334 476 HE1 PHE 66 HE1 PHE 66 181.396 -5.656 -2.202 477 HE2 PHE 66 HE2 PHE 66 177.330 -4.406 -1.959 478 HZ PHE 66 HZ PHE 66 179.170 -5.435 -3.229 479 H ARG 67 H ARG 67 180.861 -7.244 3.013 480 HA ARG 67 HA ARG 67 183.724 -6.830 2.646 481 HB2 ARG 67 HB2 ARG 67 182.025 -9.021 3.747 482 HB3 ARG 67 HB3 ARG 67 183.612 -9.437 3.112 483 HG2 ARG 67 HG2 ARG 67 184.390 -7.447 4.637 484 HG3 ARG 67 HG3 ARG 67 182.889 -7.808 5.491 485 HD2 ARG 67 HD2 ARG 67 184.691 -10.068 4.797 486 HD3 ARG 67 HD3 ARG 67 185.169 -8.997 6.113 487 HE ARG 67 HE ARG 67 182.601 -9.612 6.712 488 HH11 ARG 67 HH11 ARG 67 185.412 -11.540 5.964 489 HH12 ARG 67 HH12 ARG 67 184.906 -12.881 6.936 490 HH21 ARG 67 HH21 ARG 67 181.935 -11.374 7.993 491 HH22 ARG 67 HH22 ARG 67 182.931 -12.787 8.087 492 H ASP 68 H ASP 68 184.731 -7.188 0.796 493 HA ASP 68 HA ASP 68 183.609 -9.103 -1.117 494 HB2 ASP 68 HB2 ASP 68 182.943 -6.701 -1.671 495 HB3 ASP 68 HB3 ASP 68 184.647 -6.413 -2.008 496 H ARG 69 H ARG 69 185.217 -10.583 -0.855 497 HA ARG 69 HA ARG 69 188.000 -9.751 -0.944 498 HB2 ARG 69 HB2 ARG 69 188.426 -12.216 -0.619 499 HB3 ARG 69 HB3 ARG 69 187.536 -11.423 0.673 500 HG2 ARG 69 HG2 ARG 69 185.664 -12.616 0.302 501 HG3 ARG 69 HG3 ARG 69 185.894 -12.636 -1.447 502 HD2 ARG 69 HD2 ARG 69 187.045 -14.575 -1.403 503 HD3 ARG 69 HD3 ARG 69 187.874 -14.167 0.098 504 HE ARG 69 HE ARG 69 185.437 -15.665 -0.189 505 HH11 ARG 69 HH11 ARG 69 187.343 -13.688 1.964 506 HH12 ARG 69 HH12 ARG 69 186.642 -14.353 3.400 507 HH21 ARG 69 HH21 ARG 69 184.512 -16.541 1.700 508 HH22 ARG 69 HH22 ARG 69 185.034 -15.972 3.250 509 H ASN 70 H ASN 70 186.145 -9.629 -3.341 510 HA ASN 70 HA ASN 70 187.932 -11.063 -5.176 511 HB2 ASN 70 HB2 ASN 70 185.596 -12.152 -4.777 512 HB3 ASN 70 HB3 ASN 70 185.003 -10.837 -5.787 513 HD21 ASN 70 HD21 ASN 70 184.440 -11.956 -7.564 514 HD22 ASN 70 HD22 ASN 70 185.542 -12.860 -8.538 515 H ALA 71 H ALA 71 188.246 -8.417 -4.507 516 HA ALA 71 HA ALA 71 187.281 -7.021 -6.917 517 HB1 ALA 71 HB1 ALA 71 186.572 -5.332 -5.661 518 HB2 ALA 71 HB2 ALA 71 188.141 -5.200 -4.865 519 HB3 ALA 71 HB3 ALA 71 186.922 -6.307 -4.235 520 H LYS 72 H LYS 72 188.847 -6.742 -8.351 521 HA LYS 72 HA LYS 72 191.612 -6.973 -7.668 522 HB2 LYS 72 HB2 LYS 72 190.470 -7.617 -9.879 523 HB3 LYS 72 HB3 LYS 72 190.550 -5.907 -10.276 524 HG2 LYS 72 HG2 LYS 72 193.100 -6.935 -9.353 525 HG3 LYS 72 HG3 LYS 72 192.494 -7.803 -10.763 526 HD2 LYS 72 HD2 LYS 72 192.409 -4.820 -10.742 527 HD3 LYS 72 HD3 LYS 72 193.944 -5.636 -11.049 528 HE2 LYS 72 HE2 LYS 72 193.167 -6.633 -13.001 529 HE3 LYS 72 HE3 LYS 72 191.475 -6.412 -12.555 530 HZ1 LYS 72 HZ1 LYS 72 191.450 -4.315 -13.338 531 HZ2 LYS 72 HZ2 LYS 72 192.735 -4.858 -14.293 532 HZ3 LYS 72 HZ3 LYS 72 193.045 -3.985 -12.878 533 H LEU 73 H LEU 73 191.620 -5.227 -6.056 534 HA LEU 73 HA LEU 73 191.417 -2.509 -7.017 535 HB2 LEU 73 HB2 LEU 73 192.406 -3.537 -4.357 536 HB3 LEU 73 HB3 LEU 73 192.000 -1.875 -4.738 537 HG LEU 73 HG LEU 73 189.884 -3.943 -5.079 538 HD11 LEU 73 HD11 LEU 73 189.311 -3.997 -2.797 539 HD12 LEU 73 HD12 LEU 73 190.475 -2.734 -2.393 540 HD13 LEU 73 HD13 LEU 73 191.040 -4.337 -2.862 541 HD21 LEU 73 HD21 LEU 73 188.965 -1.955 -5.640 542 HD22 LEU 73 HD22 LEU 73 190.110 -1.028 -4.669 543 HD23 LEU 73 HD23 LEU 73 188.739 -1.825 -3.896 544 H LYS 74 H LYS 74 193.229 -0.959 -6.591 545 HA LYS 74 HA LYS 74 195.884 -2.162 -6.830 546 HB2 LYS 74 HB2 LYS 74 194.593 -0.343 -8.848 547 HB3 LYS 74 HB3 LYS 74 196.342 -0.416 -8.679 548 HG2 LYS 74 HG2 LYS 74 194.922 -2.992 -8.973 549 HG3 LYS 74 HG3 LYS 74 194.986 -1.940 -10.389 550 HD2 LYS 74 HD2 LYS 74 197.465 -1.787 -10.051 551 HD3 LYS 74 HD3 LYS 74 197.309 -3.025 -8.803 552 HE2 LYS 74 HE2 LYS 74 196.019 -3.689 -11.354 553 HE3 LYS 74 HE3 LYS 74 197.772 -3.516 -11.443 554 HZ1 LYS 74 HZ1 LYS 74 196.723 -5.088 -9.225 555 HZ2 LYS 74 HZ2 LYS 74 198.108 -5.332 -10.167 556 HZ3 LYS 74 HZ3 LYS 74 196.591 -5.776 -10.766 557 H LEU 75 H LEU 75 197.598 -0.797 -6.251 558 HA LEU 75 HA LEU 75 196.964 1.080 -4.215 559 HB2 LEU 75 HB2 LEU 75 199.075 -0.483 -4.648 560 HB3 LEU 75 HB3 LEU 75 199.690 0.968 -5.415 561 HG LEU 75 HG LEU 75 200.376 0.645 -3.024 562 HD11 LEU 75 HD11 LEU 75 200.380 2.837 -4.194 563 HD12 LEU 75 HD12 LEU 75 200.159 2.956 -2.448 564 HD13 LEU 75 HD13 LEU 75 198.777 3.145 -3.526 565 HD21 LEU 75 HD21 LEU 75 198.909 0.603 -1.304 566 HD22 LEU 75 HD22 LEU 75 197.837 -0.048 -2.544 567 HD23 LEU 75 HD23 LEU 75 197.757 1.659 -2.118 568 H GLY 76 H GLY 76 196.832 3.235 -4.246 569 HA2 GLY 76 HA2 GLY 76 197.317 5.411 -5.017 570 HA3 GLY 76 HA3 GLY 76 197.884 4.721 -6.529 571 H ASP 77 H ASP 77 195.422 3.036 -6.700 572 HA ASP 77 HA ASP 77 193.917 4.699 -8.342 573 HB2 ASP 77 HB2 ASP 77 194.016 2.155 -8.337 574 HB3 ASP 77 HB3 ASP 77 192.863 2.212 -7.009 575 H LYS 78 H LYS 78 191.544 5.124 -8.061 576 HA LYS 78 HA LYS 78 190.984 5.995 -5.298 577 HB2 LYS 78 HB2 LYS 78 191.366 7.726 -7.251 578 HB3 LYS 78 HB3 LYS 78 189.709 7.312 -7.666 579 HG2 LYS 78 HG2 LYS 78 188.852 8.428 -5.916 580 HG3 LYS 78 HG3 LYS 78 190.159 7.942 -4.833 581 HD2 LYS 78 HD2 LYS 78 190.720 9.892 -7.023 582 HD3 LYS 78 HD3 LYS 78 189.896 10.444 -5.562 583 HE2 LYS 78 HE2 LYS 78 191.982 10.745 -4.780 584 HE3 LYS 78 HE3 LYS 78 191.932 9.006 -4.496 585 HZ1 LYS 78 HZ1 LYS 78 193.942 9.735 -5.680 586 HZ2 LYS 78 HZ2 LYS 78 192.984 10.279 -6.963 587 HZ3 LYS 78 HZ3 LYS 78 193.030 8.631 -6.581 588 H ILE 79 H ILE 79 188.647 6.166 -4.800 589 HA ILE 79 HA ILE 79 187.140 4.038 -6.164 590 HB ILE 79 HB ILE 79 187.474 4.618 -3.267 591 HG12 ILE 79 HG12 ILE 79 187.760 2.386 -5.164 592 HG13 ILE 79 HG13 ILE 79 188.656 2.732 -3.692 593 HG21 ILE 79 HG21 ILE 79 185.432 3.385 -2.705 594 HG22 ILE 79 HG22 ILE 79 184.998 3.328 -4.413 595 HG23 ILE 79 HG23 ILE 79 185.066 4.875 -3.571 596 HD11 ILE 79 HD11 ILE 79 187.587 0.693 -3.301 597 HD12 ILE 79 HD12 ILE 79 186.069 1.251 -4.006 598 HD13 ILE 79 HD13 ILE 79 186.602 1.881 -2.447 599 H TYR 80 H TYR 80 184.924 4.254 -6.445 600 HA TYR 80 HA TYR 80 183.656 6.789 -5.752 601 HB2 TYR 80 HB2 TYR 80 184.373 5.950 -8.500 602 HB3 TYR 80 HB3 TYR 80 182.730 6.549 -8.292 603 HD1 TYR 80 HD1 TYR 80 182.594 8.797 -6.854 604 HD2 TYR 80 HD2 TYR 80 186.006 7.490 -9.033 605 HE1 TYR 80 HE1 TYR 80 183.419 11.111 -6.934 606 HE2 TYR 80 HE2 TYR 80 186.843 9.800 -9.119 607 HH TYR 80 HH TYR 80 185.419 12.283 -8.925 608 H PHE 81 H PHE 81 181.569 6.430 -5.085 609 HA PHE 81 HA PHE 81 180.038 4.252 -6.197 610 HB2 PHE 81 HB2 PHE 81 179.686 3.194 -3.919 611 HB3 PHE 81 HB3 PHE 81 181.236 2.906 -4.677 612 HD1 PHE 81 HD1 PHE 81 183.145 4.582 -3.981 613 HD2 PHE 81 HD2 PHE 81 179.590 3.893 -1.747 614 HE1 PHE 81 HE1 PHE 81 184.248 5.454 -1.959 615 HE2 PHE 81 HE2 PHE 81 180.686 4.764 0.275 616 HZ PHE 81 HZ PHE 81 183.019 5.544 0.171 617 H TRP 82 H TRP 82 178.130 3.821 -4.575 618 HA TRP 82 HA TRP 82 177.084 6.137 -3.238 619 HB2 TRP 82 HB2 TRP 82 175.214 6.596 -4.617 620 HB3 TRP 82 HB3 TRP 82 176.588 6.528 -5.710 621 HD1 TRP 82 HD1 TRP 82 176.729 4.366 -7.352 622 HE1 TRP 82 HE1 TRP 82 174.868 2.850 -8.276 623 HE3 TRP 82 HE3 TRP 82 173.010 5.541 -4.052 624 HZ2 TRP 82 HZ2 TRP 82 172.178 2.230 -7.685 625 HZ3 TRP 82 HZ3 TRP 82 170.821 4.444 -4.298 626 HH2 TRP 82 HH2 TRP 82 170.415 2.821 -6.078 627 H THR 83 H THR 83 175.989 5.395 -1.517 628 HA THR 83 HA THR 83 175.093 2.582 -1.621 629 HB THR 83 HB THR 83 175.084 2.856 0.934 630 HG1 THR 83 HG1 THR 83 175.292 5.116 0.976 631 HG21 THR 83 HG21 THR 83 176.832 1.536 0.530 632 HG22 THR 83 HG22 THR 83 177.791 2.992 0.791 633 HG23 THR 83 HG23 THR 83 177.368 2.496 -0.847 634 H TYR 84 H TYR 84 173.077 1.992 -0.705 635 HA TYR 84 HA TYR 84 171.211 4.216 -0.246 636 HB2 TYR 84 HB2 TYR 84 170.963 3.422 -2.568 637 HB3 TYR 84 HB3 TYR 84 170.672 1.793 -1.973 638 HD1 TYR 84 HD1 TYR 84 169.346 5.122 -0.911 639 HD2 TYR 84 HD2 TYR 84 168.472 1.234 -2.401 640 HE1 TYR 84 HE1 TYR 84 166.941 5.617 -0.775 641 HE2 TYR 84 HE2 TYR 84 166.065 1.718 -2.271 642 HH TYR 84 HH TYR 84 164.542 3.192 -1.132 643 H VAL 85 H VAL 85 170.128 3.982 1.606 644 HA VAL 85 HA VAL 85 169.989 1.293 2.788 645 HB VAL 85 HB VAL 85 170.809 2.222 4.646 646 HG11 VAL 85 HG11 VAL 85 170.365 4.903 3.346 647 HG12 VAL 85 HG12 VAL 85 171.855 3.959 3.359 648 HG13 VAL 85 HG13 VAL 85 171.235 4.651 4.858 649 HG21 VAL 85 HG21 VAL 85 168.287 3.877 4.651 650 HG22 VAL 85 HG22 VAL 85 169.409 3.753 6.002 651 HG23 VAL 85 HG23 VAL 85 168.547 2.322 5.442 652 H ILE 86 H ILE 86 168.037 0.882 4.163 653 HA ILE 86 HA ILE 86 165.640 2.303 3.236 654 HB ILE 86 HB ILE 86 165.753 -0.705 3.398 655 HG12 ILE 86 HG12 ILE 86 167.157 0.167 1.560 656 HG13 ILE 86 HG13 ILE 86 165.761 -0.742 0.987 657 HG21 ILE 86 HG21 ILE 86 163.658 1.298 2.665 658 HG22 ILE 86 HG22 ILE 86 163.545 -0.103 3.730 659 HG23 ILE 86 HG23 ILE 86 163.611 -0.329 1.982 660 HD11 ILE 86 HD11 ILE 86 164.899 1.890 1.108 661 HD12 ILE 86 HD12 ILE 86 165.305 0.957 -0.332 662 HD13 ILE 86 HD13 ILE 86 166.529 1.962 0.442 663 H LYS 87 H LYS 87 164.706 3.057 4.983 664 HA LYS 87 HA LYS 87 164.744 1.445 7.444 665 HB2 LYS 87 HB2 LYS 87 165.787 3.869 7.261 666 HB3 LYS 87 HB3 LYS 87 164.117 4.365 7.482 667 HG2 LYS 87 HG2 LYS 87 165.382 2.408 9.357 668 HG3 LYS 87 HG3 LYS 87 165.646 4.142 9.545 669 HD2 LYS 87 HD2 LYS 87 163.349 4.555 9.898 670 HD3 LYS 87 HD3 LYS 87 162.894 2.949 9.326 671 HE2 LYS 87 HE2 LYS 87 162.856 2.348 11.474 672 HE3 LYS 87 HE3 LYS 87 164.617 2.417 11.410 673 HZ1 LYS 87 HZ1 LYS 87 162.739 4.480 12.391 674 HZ2 LYS 87 HZ2 LYS 87 164.341 4.851 11.996 675 HZ3 LYS 87 HZ3 LYS 87 164.010 3.736 13.223 676 H ASP 88 H ASP 88 162.890 0.339 6.329 677 HA ASP 88 HA ASP 88 160.674 -0.165 6.302 678 HB2 ASP 88 HB2 ASP 88 160.787 0.699 8.662 679 HB3 ASP 88 HB3 ASP 88 160.275 2.269 8.051 680 H GLY 89 H GLY 89 161.244 0.771 4.018 681 HA2 GLY 89 HA2 GLY 89 160.324 1.751 2.150 682 HA3 GLY 89 HA3 GLY 89 158.948 2.203 3.146 683 H LEU 90 H LEU 90 162.196 3.163 3.958 684 HA LEU 90 HA LEU 90 161.814 5.829 2.825 685 HB2 LEU 90 HB2 LEU 90 162.609 5.597 5.706 686 HB3 LEU 90 HB3 LEU 90 162.002 6.997 4.840 687 HG LEU 90 HG LEU 90 160.315 4.572 5.378 688 HD11 LEU 90 HD11 LEU 90 159.299 6.125 7.165 689 HD12 LEU 90 HD12 LEU 90 160.842 6.974 7.091 690 HD13 LEU 90 HD13 LEU 90 160.794 5.272 7.548 691 HD21 LEU 90 HD21 LEU 90 159.886 6.514 3.610 692 HD22 LEU 90 HD22 LEU 90 159.226 7.305 5.043 693 HD23 LEU 90 HD23 LEU 90 158.579 5.751 4.517 694 H GLY 91 H GLY 91 163.508 4.939 1.499 695 HA2 GLY 91 HA2 GLY 91 166.049 4.516 2.768 696 HA3 GLY 91 HA3 GLY 91 165.684 4.216 1.088 697 H TYR 92 H TYR 92 167.990 5.385 1.909 698 HA TYR 92 HA TYR 92 167.919 7.896 0.472 699 HB2 TYR 92 HB2 TYR 92 169.192 7.816 3.214 700 HB3 TYR 92 HB3 TYR 92 168.981 9.217 2.169 701 HD1 TYR 92 HD1 TYR 92 166.787 10.282 1.946 702 HD2 TYR 92 HD2 TYR 92 167.380 6.992 4.577 703 HE1 TYR 92 HE1 TYR 92 164.657 10.798 3.061 704 HE2 TYR 92 HE2 TYR 92 165.252 7.498 5.699 705 HH TYR 92 HH TYR 92 163.119 8.659 5.162 706 H ARG 93 H ARG 93 170.020 8.359 -0.466 707 HA ARG 93 HA ARG 93 171.931 6.179 -0.010 708 HB2 ARG 93 HB2 ARG 93 172.581 6.344 -2.376 709 HB3 ARG 93 HB3 ARG 93 170.891 5.875 -2.161 710 HG2 ARG 93 HG2 ARG 93 170.962 8.696 -2.340 711 HG3 ARG 93 HG3 ARG 93 171.969 8.056 -3.639 712 HD2 ARG 93 HD2 ARG 93 170.213 7.179 -4.739 713 HD3 ARG 93 HD3 ARG 93 169.416 6.660 -3.256 714 HE ARG 93 HE ARG 93 168.138 8.534 -3.382 715 HH11 ARG 93 HH11 ARG 93 171.098 9.130 -5.132 716 HH12 ARG 93 HH12 ARG 93 170.610 10.703 -5.668 717 HH21 ARG 93 HH21 ARG 93 167.496 10.603 -4.084 718 HH22 ARG 93 HH22 ARG 93 168.566 11.540 -5.072 719 H GLN 94 H GLN 94 174.095 6.555 -0.268 720 HA GLN 94 HA GLN 94 174.902 9.358 0.054 721 HB2 GLN 94 HB2 GLN 94 175.462 7.859 1.953 722 HB3 GLN 94 HB3 GLN 94 176.383 6.840 0.855 723 HG2 GLN 94 HG2 GLN 94 177.520 9.246 0.383 724 HG3 GLN 94 HG3 GLN 94 177.077 9.411 2.081 725 HE21 GLN 94 HE21 GLN 94 179.696 9.122 0.678 726 HE22 GLN 94 HE22 GLN 94 180.479 7.802 1.472 727 H ASP 95 H ASP 95 174.646 9.441 -2.301 728 HA ASP 95 HA ASP 95 176.538 7.955 -3.898 729 HB2 ASP 95 HB2 ASP 95 175.550 9.168 -5.798 730 HB3 ASP 95 HB3 ASP 95 174.319 8.409 -4.797 731 H ASN 96 H ASN 96 177.581 9.419 -5.719 732 HA ASN 96 HA ASN 96 179.309 10.801 -6.230 733 HB2 ASN 96 HB2 ASN 96 177.604 12.531 -5.867 734 HB3 ASN 96 HB3 ASN 96 178.002 12.567 -4.154 735 HD21 ASN 96 HD21 ASN 96 178.350 14.850 -4.566 736 HD22 ASN 96 HD22 ASN 96 179.879 15.373 -5.178 737 H GLY 97 H GLY 97 179.413 8.905 -3.823 738 HA2 GLY 97 HA2 GLY 97 181.404 10.195 -2.139 739 HA3 GLY 97 HA3 GLY 97 180.756 8.576 -1.928 740 H GLU 98 H GLU 98 183.440 9.092 -1.666 741 HA GLU 98 HA GLU 98 184.503 7.339 -3.707 742 HB2 GLU 98 HB2 GLU 98 186.398 8.857 -4.245 743 HB3 GLU 98 HB3 GLU 98 184.843 9.459 -4.801 744 HG2 GLU 98 HG2 GLU 98 184.732 11.000 -2.950 745 HG3 GLU 98 HG3 GLU 98 186.222 10.341 -2.276 746 H TRP 99 H TRP 99 186.716 6.635 -3.219 747 HA TRP 99 HA TRP 99 187.644 7.144 -0.515 748 HB2 TRP 99 HB2 TRP 99 186.106 5.280 -0.201 749 HB3 TRP 99 HB3 TRP 99 186.917 4.370 -1.471 750 HD1 TRP 99 HD1 TRP 99 187.795 5.897 1.989 751 HE1 TRP 99 HE1 TRP 99 189.553 4.374 3.089 752 HE3 TRP 99 HE3 TRP 99 188.415 2.530 -1.789 753 HZ2 TRP 99 HZ2 TRP 99 191.016 2.053 2.428 754 HZ3 TRP 99 HZ3 TRP 99 190.010 0.685 -1.484 755 HH2 TRP 99 HH2 TRP 99 191.280 0.464 0.581 756 H THR 100 H THR 100 189.793 5.937 -0.132 757 HA THR 100 HA THR 100 191.389 6.217 -2.585 758 HB THR 100 HB THR 100 191.825 7.611 -0.491 759 HG1 THR 100 HG1 THR 100 194.100 7.364 -0.747 760 HG21 THR 100 HG21 THR 100 191.991 5.065 0.741 761 HG22 THR 100 HG22 THR 100 192.271 6.655 1.458 762 HG23 THR 100 HG23 THR 100 193.613 5.763 0.738 763 H VAL 101 H VAL 101 193.141 4.813 -3.019 764 HA VAL 101 HA VAL 101 192.997 2.170 -1.718 765 HB VAL 101 HB VAL 101 193.894 2.377 -4.565 766 HG11 VAL 101 HG11 VAL 101 192.686 0.080 -4.499 767 HG12 VAL 101 HG12 VAL 101 192.775 0.278 -2.749 768 HG13 VAL 101 HG13 VAL 101 194.254 0.258 -3.711 769 HG21 VAL 101 HG21 VAL 101 191.651 3.542 -4.347 770 HG22 VAL 101 HG22 VAL 101 190.992 1.987 -3.843 771 HG23 VAL 101 HG23 VAL 101 191.699 2.166 -5.446 772 H THR 102 H THR 102 194.743 4.704 -1.540 773 HA THR 102 HA THR 102 197.320 3.999 -2.493 774 HB THR 102 HB THR 102 198.100 5.856 -1.041 775 HG1 THR 102 HG1 THR 102 196.475 5.475 0.610 776 HG21 THR 102 HG21 THR 102 196.434 6.069 -3.258 777 HG22 THR 102 HG22 THR 102 197.492 7.312 -2.587 778 HG23 THR 102 HG23 THR 102 195.802 7.226 -2.086 779 H GLU 103 H GLU 103 195.536 2.793 0.107 780 HA GLU 103 HA GLU 103 198.007 1.758 1.329 781 HB2 GLU 103 HB2 GLU 103 195.652 3.045 2.600 782 HB3 GLU 103 HB3 GLU 103 196.346 1.660 3.432 783 HG2 GLU 103 HG2 GLU 103 198.585 3.040 2.928 784 HG3 GLU 103 HG3 GLU 103 197.430 4.370 3.021 785 H PHE 104 H PHE 104 197.693 -0.290 2.531 786 HA PHE 104 HA PHE 104 195.436 -1.885 1.541 787 HB2 PHE 104 HB2 PHE 104 198.365 -2.427 1.188 788 HB3 PHE 104 HB3 PHE 104 197.263 -3.784 1.403 789 HD1 PHE 104 HD1 PHE 104 194.909 -2.976 -0.080 790 HD2 PHE 104 HD2 PHE 104 199.024 -2.442 -1.021 791 HE1 PHE 104 HE1 PHE 104 194.347 -2.900 -2.476 792 HE2 PHE 104 HE2 PHE 104 198.471 -2.367 -3.418 793 HZ PHE 104 HZ PHE 104 196.130 -2.596 -4.151 794 H VAL 105 H VAL 105 194.455 -2.866 3.213 795 HA VAL 105 HA VAL 105 195.920 -3.026 5.738 796 HB VAL 105 HB VAL 105 193.789 -3.293 6.857 797 HG11 VAL 105 HG11 VAL 105 193.192 -1.114 6.722 798 HG12 VAL 105 HG12 VAL 105 193.102 -1.128 4.961 799 HG13 VAL 105 HG13 VAL 105 194.669 -1.021 5.762 800 HG21 VAL 105 HG21 VAL 105 191.948 -4.076 5.867 801 HG22 VAL 105 HG22 VAL 105 192.901 -4.309 4.403 802 HG23 VAL 105 HG23 VAL 105 191.997 -2.813 4.636 803 H ASN 106 H ASN 106 195.858 -4.887 7.025 804 HA ASN 106 HA ASN 106 196.321 -7.298 5.583 805 HB2 ASN 106 HB2 ASN 106 197.324 -6.373 7.842 806 HB3 ASN 106 HB3 ASN 106 195.979 -7.267 8.541 807 HD21 ASN 106 HD21 ASN 106 196.895 -8.983 9.426 808 HD22 ASN 106 HD22 ASN 106 197.918 -10.107 8.607 809 H GLU 107 H GLU 107 195.301 -9.324 5.892 810 HA GLU 107 HA GLU 107 192.511 -9.290 5.680 811 HB2 GLU 107 HB2 GLU 107 194.555 -11.416 6.195 812 HB3 GLU 107 HB3 GLU 107 192.858 -11.807 6.442 813 HG2 GLU 107 HG2 GLU 107 192.426 -11.019 4.108 814 HG3 GLU 107 HG3 GLU 107 194.172 -10.893 3.898 815 H ASP 108 H ASP 108 194.596 -8.968 8.336 816 HA ASP 108 HA ASP 108 192.860 -9.964 10.384 817 HB2 ASP 108 HB2 ASP 108 195.388 -9.658 10.550 818 HB3 ASP 108 HB3 ASP 108 195.071 -7.937 10.736 819 H GLY 109 H GLY 109 193.347 -6.898 8.731 820 HA2 GLY 109 HA2 GLY 109 191.315 -5.502 8.621 821 HA3 GLY 109 HA3 GLY 109 191.111 -5.808 10.338 822 H THR 110 H THR 110 194.363 -5.319 9.416 823 HA THR 110 HA THR 110 194.159 -2.468 10.111 824 HB THR 110 HB THR 110 195.958 -2.532 11.578 825 HG1 THR 110 HG1 THR 110 196.517 -5.142 10.615 826 HG21 THR 110 HG21 THR 110 195.096 -3.650 13.300 827 HG22 THR 110 HG22 THR 110 195.175 -5.199 12.458 828 HG23 THR 110 HG23 THR 110 193.816 -4.110 12.178 829 HA PRO 111 HA PRO 111 196.500 -1.360 6.668 830 HB2 PRO 111 HB2 PRO 111 198.403 0.051 8.468 831 HB3 PRO 111 HB3 PRO 111 197.468 0.677 7.107 832 HG2 PRO 111 HG2 PRO 111 196.781 1.219 9.639 833 HG3 PRO 111 HG3 PRO 111 195.559 0.969 8.377 834 HD2 PRO 111 HD2 PRO 111 196.418 -0.864 10.567 835 HD3 PRO 111 HD3 PRO 111 194.823 -0.655 9.839 836 H ALA 112 H ALA 112 197.877 -2.458 5.504 837 HA ALA 112 HA ALA 112 199.994 -3.969 6.823 838 HB1 ALA 112 HB1 ALA 112 200.005 -4.856 4.255 839 HB2 ALA 112 HB2 ALA 112 198.312 -4.409 4.469 840 HB3 ALA 112 HB3 ALA 112 199.063 -5.573 5.561 841 H ASP 113 H ASP 113 200.945 -1.656 6.959 842 HA ASP 113 HA ASP 113 202.017 -0.368 4.732 843 HB2 ASP 113 HB2 ASP 113 201.933 0.622 6.995 844 HB3 ASP 113 HB3 ASP 113 203.186 -0.498 7.520 845 H THR 114 H THR 114 203.518 -0.947 3.324 846 HA THR 114 HA THR 114 205.698 -2.709 4.187 847 HB THR 114 HB THR 114 205.495 -4.009 2.089 848 HG1 THR 114 HG1 THR 114 204.084 -3.494 0.625 849 HG21 THR 114 HG21 THR 114 204.491 -5.104 3.897 850 HG22 THR 114 HG22 THR 114 203.296 -5.150 2.602 851 HG23 THR 114 HG23 THR 114 203.124 -3.990 3.921 852 H SER 115 H SER 115 204.430 -0.566 1.666 853 HA SER 115 HA SER 115 205.439 1.023 0.386 854 HB2 SER 115 HB2 SER 115 208.115 0.738 1.626 855 HB3 SER 115 HB3 SER 115 207.171 2.190 1.297 856 HG SER 115 HG SER 115 205.847 1.592 3.104 857 H LEU 116 H LEU 116 205.207 -1.286 -0.826 858 HA LEU 116 HA LEU 116 206.073 -2.819 -2.296 859 HB2 LEU 116 HB2 LEU 116 207.275 -1.761 -4.152 860 HB3 LEU 116 HB3 LEU 116 205.865 -0.842 -3.663 861 HG LEU 116 HG LEU 116 208.518 -0.071 -2.536 862 HD11 LEU 116 HD11 LEU 116 209.335 0.880 -4.415 863 HD12 LEU 116 HD12 LEU 116 207.735 1.190 -5.089 864 HD13 LEU 116 HD13 LEU 116 208.434 -0.427 -5.183 865 HD21 LEU 116 HD21 LEU 116 207.487 1.873 -2.045 866 HD22 LEU 116 HD22 LEU 116 206.025 0.899 -2.199 867 HD23 LEU 116 HD23 LEU 116 206.569 1.890 -3.551 868 H GLU 117 H GLU 117 207.268 -3.774 -0.371 869 HA GLU 117 HA GLU 117 209.104 -4.848 0.437 870 HB2 GLU 117 HB2 GLU 117 210.188 -4.159 -2.299 871 HB3 GLU 117 HB3 GLU 117 210.989 -5.231 -1.160 872 HG2 GLU 117 HG2 GLU 117 208.693 -6.490 -1.208 873 HG3 GLU 117 HG3 GLU 117 208.514 -5.660 -2.753 874 HA PRO 118 HA PRO 118 211.709 -1.797 2.257 875 HB2 PRO 118 HB2 PRO 118 213.898 -3.253 2.937 876 HB3 PRO 118 HB3 PRO 118 212.355 -3.383 3.789 877 HG2 PRO 118 HG2 PRO 118 213.502 -5.152 1.663 878 HG3 PRO 118 HG3 PRO 118 212.663 -5.602 3.159 879 HD2 PRO 118 HD2 PRO 118 211.433 -5.599 0.751 880 HD3 PRO 118 HD3 PRO 118 210.577 -5.210 2.257 Start of MODEL 12 1 H GLN 6 H GLN 6 161.852 10.801 8.894 2 HA GLN 6 HA GLN 6 163.337 11.064 7.016 3 HB2 GLN 6 HB2 GLN 6 163.314 13.500 7.121 4 HB3 GLN 6 HB3 GLN 6 161.839 12.848 7.821 5 HG2 GLN 6 HG2 GLN 6 162.280 13.687 9.846 6 HG3 GLN 6 HG3 GLN 6 163.994 13.287 9.749 7 HE21 GLN 6 HE21 GLN 6 165.147 15.048 10.037 8 HE22 GLN 6 HE22 GLN 6 164.836 16.598 9.337 9 H TYR 7 H TYR 7 165.147 9.660 8.446 10 HA TYR 7 HA TYR 7 167.371 11.281 9.268 11 HB2 TYR 7 HB2 TYR 7 166.910 9.081 10.266 12 HB3 TYR 7 HB3 TYR 7 167.247 8.305 8.729 13 HD1 TYR 7 HD1 TYR 7 168.884 10.711 11.084 14 HD2 TYR 7 HD2 TYR 7 169.330 7.348 8.517 15 HE1 TYR 7 HE1 TYR 7 171.251 10.539 11.730 16 HE2 TYR 7 HE2 TYR 7 171.698 7.168 9.154 17 HH TYR 7 HH TYR 7 173.005 8.468 11.757 18 H VAL 8 H VAL 8 169.578 10.665 8.322 19 HA VAL 8 HA VAL 8 169.392 10.919 5.393 20 HB VAL 8 HB VAL 8 171.714 11.790 7.108 21 HG11 VAL 8 HG11 VAL 8 171.952 13.300 4.980 22 HG12 VAL 8 HG12 VAL 8 170.992 12.028 4.225 23 HG13 VAL 8 HG13 VAL 8 172.543 11.638 4.970 24 HG21 VAL 8 HG21 VAL 8 169.893 13.118 7.844 25 HG22 VAL 8 HG22 VAL 8 169.304 13.345 6.197 26 HG23 VAL 8 HG23 VAL 8 170.808 14.109 6.709 27 H VAL 9 H VAL 9 171.190 10.012 4.138 28 HA VAL 9 HA VAL 9 171.648 7.305 4.786 29 HB VAL 9 HB VAL 9 171.556 8.137 2.471 30 HG11 VAL 9 HG11 VAL 9 174.256 9.349 3.065 31 HG12 VAL 9 HG12 VAL 9 172.755 10.250 2.846 32 HG13 VAL 9 HG13 VAL 9 173.438 9.337 1.505 33 HG21 VAL 9 HG21 VAL 9 173.672 6.429 3.547 34 HG22 VAL 9 HG22 VAL 9 174.015 7.062 1.942 35 HG23 VAL 9 HG23 VAL 9 172.544 6.138 2.225 36 HA PRO 10 HA PRO 10 175.217 7.726 7.445 37 HB2 PRO 10 HB2 PRO 10 175.807 4.941 6.685 38 HB3 PRO 10 HB3 PRO 10 175.465 5.619 8.278 39 HG2 PRO 10 HG2 PRO 10 173.696 4.059 7.004 40 HG3 PRO 10 HG3 PRO 10 173.183 5.417 8.023 41 HD2 PRO 10 HD2 PRO 10 173.354 5.241 5.042 42 HD3 PRO 10 HD3 PRO 10 172.112 5.999 6.059 43 H SER 11 H SER 11 177.630 6.844 7.280 44 HA SER 11 HA SER 11 178.564 7.557 4.589 45 HB2 SER 11 HB2 SER 11 179.176 8.990 6.625 46 HB3 SER 11 HB3 SER 11 180.222 7.654 7.099 47 HG SER 11 HG SER 11 181.521 8.048 5.436 48 H ALA 12 H ALA 12 179.465 6.022 3.392 49 HA ALA 12 HA ALA 12 180.047 3.438 4.535 50 HB1 ALA 12 HB1 ALA 12 179.338 4.409 1.990 51 HB2 ALA 12 HB2 ALA 12 179.558 2.733 2.492 52 HB3 ALA 12 HB3 ALA 12 180.915 3.638 1.821 53 H LYS 13 H LYS 13 181.875 3.134 5.604 54 HA LYS 13 HA LYS 13 184.312 4.520 4.766 55 HB2 LYS 13 HB2 LYS 13 183.311 3.353 7.277 56 HB3 LYS 13 HB3 LYS 13 185.013 3.042 6.965 57 HG2 LYS 13 HG2 LYS 13 185.079 5.614 6.478 58 HG3 LYS 13 HG3 LYS 13 183.615 5.621 7.464 59 HD2 LYS 13 HD2 LYS 13 185.210 4.088 9.000 60 HD3 LYS 13 HD3 LYS 13 186.421 5.112 8.228 61 HE2 LYS 13 HE2 LYS 13 184.004 6.057 9.762 62 HE3 LYS 13 HE3 LYS 13 185.671 6.084 10.332 63 HZ1 LYS 13 HZ1 LYS 13 186.114 7.514 8.294 64 HZ2 LYS 13 HZ2 LYS 13 185.271 8.233 9.573 65 HZ3 LYS 13 HZ3 LYS 13 184.436 7.711 8.198 66 H LEU 14 H LEU 14 185.213 3.470 3.081 67 HA LEU 14 HA LEU 14 185.275 0.565 3.026 68 HB2 LEU 14 HB2 LEU 14 186.483 2.435 1.005 69 HB3 LEU 14 HB3 LEU 14 186.027 0.758 0.782 70 HG LEU 14 HG LEU 14 183.620 1.767 1.404 71 HD11 LEU 14 HD11 LEU 14 185.138 4.068 1.218 72 HD12 LEU 14 HD12 LEU 14 183.381 3.962 1.141 73 HD13 LEU 14 HD13 LEU 14 184.330 3.967 -0.344 74 HD21 LEU 14 HD21 LEU 14 183.591 2.228 -1.245 75 HD22 LEU 14 HD22 LEU 14 183.564 0.613 -0.535 76 HD23 LEU 14 HD23 LEU 14 185.082 1.297 -1.112 77 H GLU 15 H GLU 15 187.272 -0.562 2.449 78 HA GLU 15 HA GLU 15 189.761 0.696 3.285 79 HB2 GLU 15 HB2 GLU 15 188.346 -1.470 4.758 80 HB3 GLU 15 HB3 GLU 15 190.095 -1.572 4.637 81 HG2 GLU 15 HG2 GLU 15 190.333 0.586 5.690 82 HG3 GLU 15 HG3 GLU 15 188.583 0.793 5.719 83 H ALA 16 H ALA 16 191.554 -0.168 2.252 84 HA ALA 16 HA ALA 16 190.960 -2.015 0.087 85 HB1 ALA 16 HB1 ALA 16 192.645 0.139 0.315 86 HB2 ALA 16 HB2 ALA 16 192.663 -1.049 -0.987 87 HB3 ALA 16 HB3 ALA 16 193.751 -1.232 0.386 88 H ILE 17 H ILE 17 190.964 -4.114 0.490 89 HA ILE 17 HA ILE 17 192.581 -5.258 2.595 90 HB ILE 17 HB ILE 17 190.926 -6.789 0.597 91 HG12 ILE 17 HG12 ILE 17 189.496 -5.050 1.533 92 HG13 ILE 17 HG13 ILE 17 189.055 -6.618 2.204 93 HG21 ILE 17 HG21 ILE 17 192.242 -7.363 3.183 94 HG22 ILE 17 HG22 ILE 17 191.988 -8.402 1.780 95 HG23 ILE 17 HG23 ILE 17 190.665 -8.102 2.908 96 HD11 ILE 17 HD11 ILE 17 189.918 -4.222 3.541 97 HD12 ILE 17 HD12 ILE 17 190.937 -5.593 3.973 98 HD13 ILE 17 HD13 ILE 17 189.190 -5.683 4.205 99 H TYR 18 H TYR 18 193.977 -7.125 2.224 100 HA TYR 18 HA TYR 18 195.317 -7.029 -0.400 101 HB2 TYR 18 HB2 TYR 18 196.508 -6.044 1.721 102 HB3 TYR 18 HB3 TYR 18 196.799 -7.736 2.108 103 HD1 TYR 18 HD1 TYR 18 197.582 -5.001 -0.203 104 HD2 TYR 18 HD2 TYR 18 198.333 -9.069 0.788 105 HE1 TYR 18 HE1 TYR 18 199.542 -4.994 -1.686 106 HE2 TYR 18 HE2 TYR 18 200.297 -9.073 -0.691 107 HH TYR 18 HH TYR 18 201.623 -6.213 -1.993 108 HA PRO 19 HA PRO 19 196.669 -8.028 -1.501 109 HB2 PRO 19 HB2 PRO 19 196.734 -10.023 -3.474 110 HB3 PRO 19 HB3 PRO 19 198.007 -9.665 -2.307 111 HG2 PRO 19 HG2 PRO 19 196.458 -12.014 -2.434 112 HG3 PRO 19 HG3 PRO 19 197.542 -11.531 -1.121 113 HD2 PRO 19 HD2 PRO 19 194.581 -11.285 -1.324 114 HD3 PRO 19 HD3 PRO 19 195.599 -11.552 0.107 115 H ARG 20 H ARG 20 193.562 -9.167 -1.505 116 HA ARG 20 HA ARG 20 192.694 -7.326 -3.441 117 HB2 ARG 20 HB2 ARG 20 191.639 -9.026 -4.984 118 HB3 ARG 20 HB3 ARG 20 193.387 -8.875 -5.103 119 HG2 ARG 20 HG2 ARG 20 192.312 -10.931 -3.258 120 HG3 ARG 20 HG3 ARG 20 192.171 -11.223 -4.993 121 HD2 ARG 20 HD2 ARG 20 194.699 -10.506 -4.988 122 HD3 ARG 20 HD3 ARG 20 194.609 -10.985 -3.293 123 HE ARG 20 HE ARG 20 194.711 -12.711 -5.540 124 HH11 ARG 20 HH11 ARG 20 193.293 -12.401 -2.367 125 HH12 ARG 20 HH12 ARG 20 193.144 -14.107 -2.128 126 HH21 ARG 20 HH21 ARG 20 194.515 -14.959 -5.228 127 HH22 ARG 20 HH22 ARG 20 193.837 -15.561 -3.752 128 H GLY 21 H GLY 21 191.227 -6.597 -1.992 129 HA2 GLY 21 HA2 GLY 21 188.812 -8.086 -1.695 130 HA3 GLY 21 HA3 GLY 21 189.699 -7.990 -0.191 131 H LEU 22 H LEU 22 187.522 -6.907 0.295 132 HA LEU 22 HA LEU 22 187.992 -4.058 0.319 133 HB2 LEU 22 HB2 LEU 22 186.858 -4.064 -1.736 134 HB3 LEU 22 HB3 LEU 22 185.727 -5.295 -1.212 135 HG LEU 22 HG LEU 22 184.514 -3.737 0.133 136 HD11 LEU 22 HD11 LEU 22 186.992 -2.281 0.110 137 HD12 LEU 22 HD12 LEU 22 185.590 -2.097 1.166 138 HD13 LEU 22 HD13 LEU 22 185.658 -1.233 -0.371 139 HD21 LEU 22 HD21 LEU 22 185.224 -2.490 -2.519 140 HD22 LEU 22 HD22 LEU 22 183.813 -2.085 -1.543 141 HD23 LEU 22 HD23 LEU 22 183.974 -3.700 -2.232 142 H ARG 23 H ARG 23 187.132 -3.098 2.084 143 HA ARG 23 HA ARG 23 185.160 -4.591 3.666 144 HB2 ARG 23 HB2 ARG 23 187.346 -5.038 4.656 145 HB3 ARG 23 HB3 ARG 23 187.689 -3.317 4.730 146 HG2 ARG 23 HG2 ARG 23 185.255 -3.691 6.082 147 HG3 ARG 23 HG3 ARG 23 186.332 -4.981 6.621 148 HD2 ARG 23 HD2 ARG 23 187.805 -3.533 7.592 149 HD3 ARG 23 HD3 ARG 23 187.443 -2.233 6.456 150 HE ARG 23 HE ARG 23 185.788 -1.502 7.864 151 HH11 ARG 23 HH11 ARG 23 186.792 -4.696 8.847 152 HH12 ARG 23 HH12 ARG 23 185.889 -4.661 10.324 153 HH21 ARG 23 HH21 ARG 23 184.601 -1.454 9.807 154 HH22 ARG 23 HH22 ARG 23 184.645 -2.820 10.868 155 H VAL 24 H VAL 24 183.425 -3.300 3.558 156 HA VAL 24 HA VAL 24 183.817 -0.414 3.997 157 HB VAL 24 HB VAL 24 181.428 -1.692 2.677 158 HG11 VAL 24 HG11 VAL 24 181.476 0.796 1.736 159 HG12 VAL 24 HG12 VAL 24 182.294 1.078 3.272 160 HG13 VAL 24 HG13 VAL 24 180.676 0.375 3.250 161 HG21 VAL 24 HG21 VAL 24 183.760 -0.372 1.300 162 HG22 VAL 24 HG22 VAL 24 182.352 -1.114 0.541 163 HG23 VAL 24 HG23 VAL 24 183.521 -2.117 1.402 164 H SER 25 H SER 25 182.212 0.710 5.236 165 HA SER 25 HA SER 25 180.363 -0.856 6.831 166 HB2 SER 25 HB2 SER 25 182.047 0.920 8.491 167 HB3 SER 25 HB3 SER 25 181.370 -0.665 8.861 168 HG SER 25 HG SER 25 183.201 -1.522 8.315 169 H ILE 26 H ILE 26 178.680 0.357 7.691 170 HA ILE 26 HA ILE 26 178.751 3.265 7.222 171 HB ILE 26 HB ILE 26 176.341 3.081 6.424 172 HG12 ILE 26 HG12 ILE 26 176.829 0.442 5.274 173 HG13 ILE 26 HG13 ILE 26 176.699 0.409 7.029 174 HG21 ILE 26 HG21 ILE 26 178.122 3.720 4.936 175 HG22 ILE 26 HG22 ILE 26 177.021 2.630 4.097 176 HG23 ILE 26 HG23 ILE 26 178.570 2.032 4.692 177 HD11 ILE 26 HD11 ILE 26 174.519 1.274 6.986 178 HD12 ILE 26 HD12 ILE 26 174.570 0.055 5.712 179 HD13 ILE 26 HD13 ILE 26 174.661 1.767 5.298 180 HA PRO 27 HA PRO 27 177.141 3.224 11.396 181 HB2 PRO 27 HB2 PRO 27 176.203 5.836 11.329 182 HB3 PRO 27 HB3 PRO 27 177.839 5.352 11.778 183 HG2 PRO 27 HG2 PRO 27 176.825 6.435 9.201 184 HG3 PRO 27 HG3 PRO 27 178.387 6.687 9.991 185 HD2 PRO 27 HD2 PRO 27 178.079 5.034 7.872 186 HD3 PRO 27 HD3 PRO 27 179.271 4.733 9.152 187 H ASP 28 H ASP 28 175.440 1.783 11.043 188 HA ASP 28 HA ASP 28 173.086 2.286 9.644 189 HB2 ASP 28 HB2 ASP 28 173.725 0.045 10.352 190 HB3 ASP 28 HB3 ASP 28 173.538 0.501 12.041 191 H ASP 29 H ASP 29 170.916 2.553 10.497 192 HA ASP 29 HA ASP 29 170.671 3.940 13.042 193 HB2 ASP 29 HB2 ASP 29 171.051 5.529 10.928 194 HB3 ASP 29 HB3 ASP 29 169.323 5.255 10.732 195 H GLY 30 H GLY 30 169.849 1.415 12.450 196 HA2 GLY 30 HA2 GLY 30 168.022 0.080 12.774 197 HA3 GLY 30 HA3 GLY 30 167.096 1.540 13.043 198 H PHE 31 H PHE 31 168.875 0.509 10.159 199 HA PHE 31 HA PHE 31 166.511 1.027 8.551 200 HB2 PHE 31 HB2 PHE 31 169.190 0.053 7.565 201 HB3 PHE 31 HB3 PHE 31 167.935 0.868 6.639 202 HD1 PHE 31 HD1 PHE 31 167.240 3.163 8.195 203 HD2 PHE 31 HD2 PHE 31 171.060 1.376 7.645 204 HE1 PHE 31 HE1 PHE 31 168.312 5.328 8.657 205 HE2 PHE 31 HE2 PHE 31 172.140 3.534 8.109 206 HZ PHE 31 HZ PHE 31 170.767 5.515 8.614 207 H SER 32 H SER 32 166.720 -0.644 6.500 208 HA SER 32 HA SER 32 166.526 -3.354 7.580 209 HB2 SER 32 HB2 SER 32 164.590 -3.419 5.683 210 HB3 SER 32 HB3 SER 32 164.269 -3.094 7.385 211 HG SER 32 HG SER 32 163.338 -1.419 6.388 212 H LEU 33 H LEU 33 167.246 -1.199 4.890 213 HA LEU 33 HA LEU 33 168.636 -3.488 3.655 214 HB2 LEU 33 HB2 LEU 33 166.354 -2.912 2.537 215 HB3 LEU 33 HB3 LEU 33 167.227 -1.545 1.889 216 HG LEU 33 HG LEU 33 168.941 -3.240 1.033 217 HD11 LEU 33 HD11 LEU 33 167.655 -5.046 2.479 218 HD12 LEU 33 HD12 LEU 33 168.469 -5.460 0.968 219 HD13 LEU 33 HD13 LEU 33 166.723 -5.206 0.990 220 HD21 LEU 33 HD21 LEU 33 166.388 -3.672 -0.395 221 HD22 LEU 33 HD22 LEU 33 167.957 -3.141 -1.001 222 HD23 LEU 33 HD23 LEU 33 166.904 -2.000 -0.162 223 H PHE 34 H PHE 34 170.581 -3.069 2.868 224 HA PHE 34 HA PHE 34 171.418 -0.266 2.595 225 HB2 PHE 34 HB2 PHE 34 172.387 -1.174 4.629 226 HB3 PHE 34 HB3 PHE 34 172.990 -2.570 3.753 227 HD1 PHE 34 HD1 PHE 34 173.135 1.127 3.247 228 HD2 PHE 34 HD2 PHE 34 175.259 -2.552 3.493 229 HE1 PHE 34 HE1 PHE 34 175.238 2.313 2.776 230 HE2 PHE 34 HE2 PHE 34 177.364 -1.373 3.021 231 HZ PHE 34 HZ PHE 34 177.355 1.065 2.663 232 H ALA 35 H ALA 35 171.359 -0.132 0.385 233 HA ALA 35 HA ALA 35 172.571 -2.249 -1.213 234 HB1 ALA 35 HB1 ALA 35 171.533 0.164 -2.550 235 HB2 ALA 35 HB2 ALA 35 170.355 -0.787 -1.649 236 HB3 ALA 35 HB3 ALA 35 171.298 -1.539 -2.936 237 H PHE 36 H PHE 36 174.579 -2.145 -1.980 238 HA PHE 36 HA PHE 36 175.940 0.467 -1.943 239 HB2 PHE 36 HB2 PHE 36 176.769 -1.290 -0.320 240 HB3 PHE 36 HB3 PHE 36 177.277 -2.231 -1.720 241 HD1 PHE 36 HD1 PHE 36 178.983 -1.246 -3.283 242 HD2 PHE 36 HD2 PHE 36 178.093 0.448 0.517 243 HE1 PHE 36 HE1 PHE 36 181.115 -0.017 -3.336 244 HE2 PHE 36 HE2 PHE 36 180.223 1.680 0.471 245 HZ PHE 36 HZ PHE 36 181.736 1.448 -1.456 246 H HIS 37 H HIS 37 176.512 1.253 -3.846 247 HA HIS 37 HA HIS 37 177.016 -0.573 -6.092 248 HB2 HIS 37 HB2 HIS 37 175.021 1.469 -5.783 249 HB3 HIS 37 HB3 HIS 37 176.156 1.952 -7.024 250 HD1 HIS 37 HD1 HIS 37 174.724 1.537 -9.074 251 HD2 HIS 37 HD2 HIS 37 174.869 -1.735 -6.521 252 HE1 HIS 37 HE1 HIS 37 173.567 -0.325 -10.302 253 HE2 HIS 37 HE2 HIS 37 173.744 -2.317 -8.776 254 H GLY 38 H GLY 38 179.151 -0.323 -6.771 255 HA2 GLY 38 HA2 GLY 38 180.222 2.401 -6.757 256 HA3 GLY 38 HA3 GLY 38 181.030 1.251 -5.713 257 H LYS 39 H LYS 39 181.633 2.829 -8.279 258 HA LYS 39 HA LYS 39 182.647 0.594 -9.895 259 HB2 LYS 39 HB2 LYS 39 181.200 2.304 -11.022 260 HB3 LYS 39 HB3 LYS 39 182.432 3.509 -10.665 261 HG2 LYS 39 HG2 LYS 39 182.575 2.682 -12.964 262 HG3 LYS 39 HG3 LYS 39 184.035 2.330 -12.037 263 HD2 LYS 39 HD2 LYS 39 183.323 0.042 -11.712 264 HD3 LYS 39 HD3 LYS 39 181.784 0.377 -12.509 265 HE2 LYS 39 HE2 LYS 39 182.691 0.326 -14.583 266 HE3 LYS 39 HE3 LYS 39 184.223 1.016 -14.048 267 HZ1 LYS 39 HZ1 LYS 39 184.882 -1.097 -14.478 268 HZ2 LYS 39 HZ2 LYS 39 183.372 -1.779 -14.139 269 HZ3 LYS 39 HZ3 LYS 39 184.395 -1.320 -12.872 270 H LEU 40 H LEU 40 184.828 0.540 -10.498 271 HA LEU 40 HA LEU 40 186.590 1.991 -8.667 272 HB2 LEU 40 HB2 LEU 40 186.762 -0.459 -8.768 273 HB3 LEU 40 HB3 LEU 40 187.163 -0.359 -10.471 274 HG LEU 40 HG LEU 40 189.210 0.940 -9.846 275 HD11 LEU 40 HD11 LEU 40 189.059 -0.041 -7.072 276 HD12 LEU 40 HD12 LEU 40 188.025 1.334 -7.463 277 HD13 LEU 40 HD13 LEU 40 189.767 1.439 -7.719 278 HD21 LEU 40 HD21 LEU 40 190.473 -0.993 -9.157 279 HD22 LEU 40 HD22 LEU 40 189.232 -1.491 -10.307 280 HD23 LEU 40 HD23 LEU 40 189.009 -1.790 -8.583 281 H ASN 41 H ASN 41 187.792 3.641 -9.312 282 HA ASN 41 HA ASN 41 188.789 5.209 -10.620 283 HB2 ASN 41 HB2 ASN 41 190.114 3.055 -11.161 284 HB3 ASN 41 HB3 ASN 41 189.242 3.070 -12.689 285 HD21 ASN 41 HD21 ASN 41 189.589 4.777 -14.141 286 HD22 ASN 41 HD22 ASN 41 191.009 5.756 -14.057 287 H GLU 42 H GLU 42 186.252 5.613 -10.817 288 HA GLU 42 HA GLU 42 185.790 6.887 -13.208 289 HB2 GLU 42 HB2 GLU 42 185.670 4.672 -14.255 290 HB3 GLU 42 HB3 GLU 42 184.419 4.191 -13.116 291 HG2 GLU 42 HG2 GLU 42 182.938 5.906 -14.008 292 HG3 GLU 42 HG3 GLU 42 184.192 6.405 -15.140 293 H GLU 43 H GLU 43 184.688 8.461 -12.311 294 HA GLU 43 HA GLU 43 183.152 8.382 -10.023 295 HB2 GLU 43 HB2 GLU 43 182.710 10.266 -12.340 296 HB3 GLU 43 HB3 GLU 43 182.259 10.536 -10.660 297 HG2 GLU 43 HG2 GLU 43 184.563 10.611 -10.007 298 HG3 GLU 43 HG3 GLU 43 185.063 10.185 -11.632 299 H MET 44 H MET 44 180.804 9.193 -10.062 300 HA MET 44 HA MET 44 179.156 7.705 -11.968 301 HB2 MET 44 HB2 MET 44 178.475 7.518 -9.053 302 HB3 MET 44 HB3 MET 44 177.978 6.474 -10.376 303 HG2 MET 44 HG2 MET 44 180.816 6.341 -10.097 304 HG3 MET 44 HG3 MET 44 180.064 6.086 -8.529 305 HE1 MET 44 HE1 MET 44 177.489 3.692 -9.025 306 HE2 MET 44 HE2 MET 44 178.527 4.595 -7.922 307 HE3 MET 44 HE3 MET 44 178.886 2.908 -8.288 308 H ASP 45 H ASP 45 177.227 8.679 -12.424 309 HA ASP 45 HA ASP 45 176.464 11.012 -10.805 310 HB2 ASP 45 HB2 ASP 45 177.713 11.722 -12.852 311 HB3 ASP 45 HB3 ASP 45 176.461 10.964 -13.829 312 H GLY 46 H GLY 46 175.269 8.620 -10.435 313 HA2 GLY 46 HA2 GLY 46 172.608 9.033 -10.553 314 HA3 GLY 46 HA3 GLY 46 172.989 8.284 -12.093 315 H LEU 47 H LEU 47 172.086 6.300 -11.833 316 HA LEU 47 HA LEU 47 173.073 4.701 -9.590 317 HB2 LEU 47 HB2 LEU 47 170.464 4.497 -11.079 318 HB3 LEU 47 HB3 LEU 47 170.971 3.490 -9.745 319 HG LEU 47 HG LEU 47 170.769 6.463 -9.452 320 HD11 LEU 47 HD11 LEU 47 168.558 4.677 -8.544 321 HD12 LEU 47 HD12 LEU 47 168.597 5.197 -10.228 322 HD13 LEU 47 HD13 LEU 47 168.531 6.396 -8.937 323 HD21 LEU 47 HD21 LEU 47 170.374 4.373 -7.341 324 HD22 LEU 47 HD22 LEU 47 170.843 6.064 -7.164 325 HD23 LEU 47 HD23 LEU 47 171.989 4.894 -7.820 326 H GLU 48 H GLU 48 174.880 4.427 -11.196 327 HA GLU 48 HA GLU 48 174.298 2.591 -13.381 328 HB2 GLU 48 HB2 GLU 48 176.646 2.886 -13.992 329 HB3 GLU 48 HB3 GLU 48 175.855 4.441 -13.782 330 HG2 GLU 48 HG2 GLU 48 176.840 4.061 -11.303 331 HG3 GLU 48 HG3 GLU 48 178.048 3.210 -12.265 332 H ALA 49 H ALA 49 175.110 0.512 -13.543 333 HA ALA 49 HA ALA 49 175.094 -1.093 -11.325 334 HB1 ALA 49 HB1 ALA 49 174.818 -2.213 -13.325 335 HB2 ALA 49 HB2 ALA 49 176.440 -2.709 -12.840 336 HB3 ALA 49 HB3 ALA 49 176.229 -1.456 -14.063 337 H GLY 50 H GLY 50 177.731 0.806 -12.547 338 HA2 GLY 50 HA2 GLY 50 179.929 1.021 -11.905 339 HA3 GLY 50 HA3 GLY 50 179.272 0.802 -10.290 340 H HIS 51 H HIS 51 180.174 -0.766 -9.168 341 HA HIS 51 HA HIS 51 180.977 -3.222 -10.527 342 HB2 HIS 51 HB2 HIS 51 182.846 -1.343 -9.761 343 HB3 HIS 51 HB3 HIS 51 182.836 -2.460 -8.401 344 HD1 HIS 51 HD1 HIS 51 183.012 -2.743 -12.200 345 HD2 HIS 51 HD2 HIS 51 184.572 -4.489 -8.768 346 HE1 HIS 51 HE1 HIS 51 184.636 -4.484 -13.009 347 HE2 HIS 51 HE2 HIS 51 185.632 -5.467 -10.914 348 H TRP 52 H TRP 52 181.370 -1.983 -7.219 349 HA TRP 52 HA TRP 52 180.449 -4.422 -6.074 350 HB2 TRP 52 HB2 TRP 52 180.903 -1.686 -4.862 351 HB3 TRP 52 HB3 TRP 52 180.508 -3.128 -3.928 352 HD1 TRP 52 HD1 TRP 52 182.373 -5.185 -4.121 353 HE1 TRP 52 HE1 TRP 52 184.934 -5.021 -4.276 354 HE3 TRP 52 HE3 TRP 52 182.784 -0.329 -5.660 355 HZ2 TRP 52 HZ2 TRP 52 186.878 -3.086 -4.958 356 HZ3 TRP 52 HZ3 TRP 52 185.029 0.603 -6.043 357 HH2 TRP 52 HH2 TRP 52 187.032 -0.750 -5.697 358 H ALA 53 H ALA 53 178.415 -4.832 -6.897 359 HA ALA 53 HA ALA 53 176.273 -3.007 -6.026 360 HB1 ALA 53 HB1 ALA 53 174.977 -3.624 -7.922 361 HB2 ALA 53 HB2 ALA 53 176.111 -4.903 -8.358 362 HB3 ALA 53 HB3 ALA 53 176.590 -3.212 -8.508 363 H ARG 54 H ARG 54 175.959 -4.034 -4.018 364 HA ARG 54 HA ARG 54 174.527 -6.566 -4.220 365 HB2 ARG 54 HB2 ARG 54 176.908 -7.058 -3.751 366 HB3 ARG 54 HB3 ARG 54 176.786 -6.119 -2.277 367 HG2 ARG 54 HG2 ARG 54 174.690 -7.904 -2.072 368 HG3 ARG 54 HG3 ARG 54 175.978 -8.854 -2.813 369 HD2 ARG 54 HD2 ARG 54 176.821 -7.155 -0.570 370 HD3 ARG 54 HD3 ARG 54 175.698 -8.446 -0.144 371 HE ARG 54 HE ARG 54 177.919 -9.296 -1.770 372 HH11 ARG 54 HH11 ARG 54 176.772 -8.764 1.483 373 HH12 ARG 54 HH12 ARG 54 177.897 -9.869 2.195 374 HH21 ARG 54 HH21 ARG 54 179.403 -10.749 -0.835 375 HH22 ARG 54 HH22 ARG 54 179.393 -10.994 0.880 376 H ASP 55 H ASP 55 172.758 -6.611 -2.998 377 HA ASP 55 HA ASP 55 172.223 -4.406 -1.178 378 HB2 ASP 55 HB2 ASP 55 169.923 -5.499 -1.124 379 HB3 ASP 55 HB3 ASP 55 170.434 -4.829 -2.667 380 H ILE 56 H ILE 56 172.469 -4.582 0.959 381 HA ILE 56 HA ILE 56 172.789 -7.266 2.107 382 HB ILE 56 HB ILE 56 173.454 -4.676 3.491 383 HG12 ILE 56 HG12 ILE 56 175.283 -6.377 1.780 384 HG13 ILE 56 HG13 ILE 56 174.689 -4.773 1.359 385 HG21 ILE 56 HG21 ILE 56 175.188 -6.495 4.428 386 HG22 ILE 56 HG22 ILE 56 173.836 -7.554 4.021 387 HG23 ILE 56 HG23 ILE 56 173.600 -6.211 5.141 388 HD11 ILE 56 HD11 ILE 56 176.375 -3.839 2.433 389 HD12 ILE 56 HD12 ILE 56 177.017 -5.446 2.771 390 HD13 ILE 56 HD13 ILE 56 175.932 -4.670 3.923 391 H THR 57 H THR 57 171.604 -7.959 3.858 392 HA THR 57 HA THR 57 169.470 -6.193 4.834 393 HB THR 57 HB THR 57 167.806 -7.892 4.618 394 HG1 THR 57 HG1 THR 57 169.885 -9.602 3.729 395 HG21 THR 57 HG21 THR 57 169.064 -6.857 2.359 396 HG22 THR 57 HG22 THR 57 167.447 -7.554 2.466 397 HG23 THR 57 HG23 THR 57 168.819 -8.570 2.022 398 H LYS 58 H LYS 58 171.972 -6.900 6.047 399 HA LYS 58 HA LYS 58 170.981 -7.810 8.584 400 HB2 LYS 58 HB2 LYS 58 172.301 -9.673 6.794 401 HB3 LYS 58 HB3 LYS 58 173.190 -9.497 8.301 402 HG2 LYS 58 HG2 LYS 58 170.267 -10.186 8.081 403 HG3 LYS 58 HG3 LYS 58 171.573 -11.339 8.366 404 HD2 LYS 58 HD2 LYS 58 170.875 -9.013 10.158 405 HD3 LYS 58 HD3 LYS 58 170.415 -10.693 10.444 406 HE2 LYS 58 HE2 LYS 58 173.221 -9.593 10.305 407 HE3 LYS 58 HE3 LYS 58 172.374 -10.122 11.758 408 HZ1 LYS 58 HZ1 LYS 58 173.660 -11.697 9.686 409 HZ2 LYS 58 HZ2 LYS 58 172.188 -12.307 10.253 410 HZ3 LYS 58 HZ3 LYS 58 173.460 -12.028 11.333 411 HA PRO 59 HA PRO 59 174.202 -4.545 8.943 412 HB2 PRO 59 HB2 PRO 59 172.957 -4.488 11.641 413 HB3 PRO 59 HB3 PRO 59 173.338 -3.151 10.550 414 HG2 PRO 59 HG2 PRO 59 170.822 -3.976 10.886 415 HG3 PRO 59 HG3 PRO 59 171.411 -3.455 9.298 416 HD2 PRO 59 HD2 PRO 59 170.915 -6.213 10.326 417 HD3 PRO 59 HD3 PRO 59 170.662 -5.553 8.698 418 H LYS 60 H LYS 60 175.876 -4.209 10.630 419 HA LYS 60 HA LYS 60 176.701 -6.793 11.779 420 HB2 LYS 60 HB2 LYS 60 178.097 -5.175 10.060 421 HB3 LYS 60 HB3 LYS 60 178.723 -4.662 11.622 422 HG2 LYS 60 HG2 LYS 60 178.561 -7.574 11.154 423 HG3 LYS 60 HG3 LYS 60 179.761 -6.680 10.219 424 HD2 LYS 60 HD2 LYS 60 181.076 -6.384 12.005 425 HD3 LYS 60 HD3 LYS 60 179.718 -5.914 13.029 426 HE2 LYS 60 HE2 LYS 60 180.062 -7.853 14.085 427 HE3 LYS 60 HE3 LYS 60 179.303 -8.603 12.682 428 HZ1 LYS 60 HZ1 LYS 60 181.239 -9.756 12.727 429 HZ2 LYS 60 HZ2 LYS 60 182.122 -8.502 13.440 430 HZ3 LYS 60 HZ3 LYS 60 181.765 -8.450 11.788 431 H GLU 61 H GLU 61 174.829 -5.057 13.020 432 HA GLU 61 HA GLU 61 174.340 -4.486 15.161 433 HB2 GLU 61 HB2 GLU 61 176.732 -5.847 15.527 434 HB3 GLU 61 HB3 GLU 61 177.014 -4.292 16.295 435 HG2 GLU 61 HG2 GLU 61 175.914 -4.988 18.077 436 HG3 GLU 61 HG3 GLU 61 174.455 -5.155 17.103 437 H GLY 62 H GLY 62 173.693 -2.519 14.373 438 HA2 GLY 62 HA2 GLY 62 173.625 -0.225 14.477 439 HA3 GLY 62 HA3 GLY 62 175.081 -0.279 15.463 440 H ARG 63 H ARG 63 175.812 -2.060 12.821 441 HA ARG 63 HA ARG 63 176.345 0.097 10.974 442 HB2 ARG 63 HB2 ARG 63 178.462 -1.031 12.736 443 HB3 ARG 63 HB3 ARG 63 178.888 -0.699 11.064 444 HG2 ARG 63 HG2 ARG 63 177.482 1.538 12.174 445 HG3 ARG 63 HG3 ARG 63 178.833 1.092 13.215 446 HD2 ARG 63 HD2 ARG 63 179.633 1.012 10.453 447 HD3 ARG 63 HD3 ARG 63 178.915 2.575 10.833 448 HE ARG 63 HE ARG 63 180.693 3.042 12.216 449 HH11 ARG 63 HH11 ARG 63 180.812 -0.313 11.256 450 HH12 ARG 63 HH12 ARG 63 182.414 -0.558 11.861 451 HH21 ARG 63 HH21 ARG 63 182.800 2.717 13.014 452 HH22 ARG 63 HH22 ARG 63 183.542 1.160 12.861 453 H TRP 64 H TRP 64 176.172 -0.717 8.941 454 HA TRP 64 HA TRP 64 176.092 -3.565 8.577 455 HB2 TRP 64 HB2 TRP 64 176.052 -1.424 6.457 456 HB3 TRP 64 HB3 TRP 64 175.574 -3.091 6.274 457 HD1 TRP 64 HD1 TRP 64 174.424 -0.105 8.483 458 HE1 TRP 64 HE1 TRP 64 171.858 -0.179 8.609 459 HE3 TRP 64 HE3 TRP 64 173.580 -4.330 5.724 460 HZ2 TRP 64 HZ2 TRP 64 169.753 -1.799 7.668 461 HZ3 TRP 64 HZ3 TRP 64 171.256 -5.072 5.388 462 HH2 TRP 64 HH2 TRP 64 169.379 -3.830 6.345 463 H THR 65 H THR 65 177.414 -4.697 7.051 464 HA THR 65 HA THR 65 180.047 -3.496 6.568 465 HB THR 65 HB THR 65 179.669 -6.307 7.607 466 HG1 THR 65 HG1 THR 65 180.558 -4.008 9.008 467 HG21 THR 65 HG21 THR 65 182.166 -4.642 7.439 468 HG22 THR 65 HG22 THR 65 181.729 -5.919 6.304 469 HG23 THR 65 HG23 THR 65 182.031 -6.308 7.999 470 H PHE 66 H PHE 66 180.505 -3.593 4.485 471 HA PHE 66 HA PHE 66 179.392 -5.807 2.893 472 HB2 PHE 66 HB2 PHE 66 178.503 -3.776 2.043 473 HB3 PHE 66 HB3 PHE 66 180.057 -2.959 2.152 474 HD1 PHE 66 HD1 PHE 66 178.258 -5.656 0.350 475 HD2 PHE 66 HD2 PHE 66 181.505 -2.904 0.327 476 HE1 PHE 66 HE1 PHE 66 178.721 -6.226 -2.000 477 HE2 PHE 66 HE2 PHE 66 181.972 -3.469 -2.022 478 HZ PHE 66 HZ PHE 66 180.579 -5.131 -3.188 479 H ARG 67 H ARG 67 181.043 -7.282 3.156 480 HA ARG 67 HA ARG 67 183.766 -6.462 2.504 481 HB2 ARG 67 HB2 ARG 67 182.614 -8.423 4.225 482 HB3 ARG 67 HB3 ARG 67 183.618 -9.251 3.045 483 HG2 ARG 67 HG2 ARG 67 185.458 -7.646 3.639 484 HG3 ARG 67 HG3 ARG 67 184.440 -7.104 4.977 485 HD2 ARG 67 HD2 ARG 67 185.978 -8.750 5.801 486 HD3 ARG 67 HD3 ARG 67 184.360 -9.449 5.792 487 HE ARG 67 HE ARG 67 186.607 -10.200 4.102 488 HH11 ARG 67 HH11 ARG 67 183.196 -10.533 4.790 489 HH12 ARG 67 HH12 ARG 67 183.041 -12.017 3.912 490 HH21 ARG 67 HH21 ARG 67 186.396 -12.147 2.947 491 HH22 ARG 67 HH22 ARG 67 184.854 -12.932 2.866 492 H ASP 68 H ASP 68 184.898 -7.168 0.757 493 HA ASP 68 HA ASP 68 183.608 -9.051 -1.083 494 HB2 ASP 68 HB2 ASP 68 183.454 -6.383 -1.567 495 HB3 ASP 68 HB3 ASP 68 184.967 -6.771 -2.380 496 H ARG 69 H ARG 69 185.030 -10.679 -1.059 497 HA ARG 69 HA ARG 69 187.887 -10.154 -0.942 498 HB2 ARG 69 HB2 ARG 69 186.366 -12.106 0.162 499 HB3 ARG 69 HB3 ARG 69 186.937 -12.927 -1.284 500 HG2 ARG 69 HG2 ARG 69 189.270 -12.066 -0.531 501 HG3 ARG 69 HG3 ARG 69 188.491 -11.895 1.042 502 HD2 ARG 69 HD2 ARG 69 188.214 -14.453 -0.474 503 HD3 ARG 69 HD3 ARG 69 189.707 -14.119 0.399 504 HE ARG 69 HE ARG 69 188.568 -14.316 2.407 505 HH11 ARG 69 HH11 ARG 69 186.333 -14.498 -0.274 506 HH12 ARG 69 HH12 ARG 69 185.028 -15.088 0.697 507 HH21 ARG 69 HH21 ARG 69 186.849 -15.090 3.678 508 HH22 ARG 69 HH22 ARG 69 185.318 -15.421 2.939 509 H ASN 70 H ASN 70 186.189 -9.588 -3.393 510 HA ASN 70 HA ASN 70 187.925 -11.011 -5.282 511 HB2 ASN 70 HB2 ASN 70 185.488 -11.921 -5.091 512 HB3 ASN 70 HB3 ASN 70 185.059 -10.472 -5.994 513 HD21 ASN 70 HD21 ASN 70 185.596 -10.307 -8.130 514 HD22 ASN 70 HD22 ASN 70 186.243 -11.620 -9.047 515 H ALA 71 H ALA 71 188.058 -8.335 -4.170 516 HA ALA 71 HA ALA 71 187.550 -6.730 -6.588 517 HB1 ALA 71 HB1 ALA 71 186.686 -6.235 -4.034 518 HB2 ALA 71 HB2 ALA 71 186.828 -5.036 -5.320 519 HB3 ALA 71 HB3 ALA 71 188.134 -5.235 -4.151 520 H LYS 72 H LYS 72 189.359 -6.611 -7.757 521 HA LYS 72 HA LYS 72 191.968 -6.822 -6.613 522 HB2 LYS 72 HB2 LYS 72 191.194 -7.511 -8.974 523 HB3 LYS 72 HB3 LYS 72 191.378 -5.812 -9.384 524 HG2 LYS 72 HG2 LYS 72 193.678 -7.051 -8.029 525 HG3 LYS 72 HG3 LYS 72 193.324 -7.648 -9.651 526 HD2 LYS 72 HD2 LYS 72 193.524 -4.714 -9.026 527 HD3 LYS 72 HD3 LYS 72 194.932 -5.681 -9.470 528 HE2 LYS 72 HE2 LYS 72 192.467 -5.675 -11.174 529 HE3 LYS 72 HE3 LYS 72 193.666 -4.390 -11.315 530 HZ1 LYS 72 HZ1 LYS 72 193.983 -6.268 -12.885 531 HZ2 LYS 72 HZ2 LYS 72 194.307 -7.276 -11.566 532 HZ3 LYS 72 HZ3 LYS 72 195.327 -5.969 -11.901 533 H LEU 73 H LEU 73 191.959 -5.100 -5.091 534 HA LEU 73 HA LEU 73 191.767 -2.380 -6.066 535 HB2 LEU 73 HB2 LEU 73 192.186 -3.628 -3.371 536 HB3 LEU 73 HB3 LEU 73 192.457 -1.913 -3.613 537 HG LEU 73 HG LEU 73 189.845 -3.278 -4.251 538 HD11 LEU 73 HD11 LEU 73 190.819 -3.117 -1.747 539 HD12 LEU 73 HD12 LEU 73 189.104 -3.009 -2.143 540 HD13 LEU 73 HD13 LEU 73 190.044 -1.539 -1.885 541 HD21 LEU 73 HD21 LEU 73 190.233 -0.377 -3.656 542 HD22 LEU 73 HD22 LEU 73 188.967 -1.171 -4.591 543 HD23 LEU 73 HD23 LEU 73 190.586 -1.000 -5.268 544 H LYS 74 H LYS 74 193.429 -1.427 -7.021 545 HA LYS 74 HA LYS 74 196.150 -2.269 -6.305 546 HB2 LYS 74 HB2 LYS 74 194.962 -1.974 -8.787 547 HB3 LYS 74 HB3 LYS 74 195.896 -0.495 -8.616 548 HG2 LYS 74 HG2 LYS 74 197.544 -2.635 -7.780 549 HG3 LYS 74 HG3 LYS 74 196.785 -3.106 -9.301 550 HD2 LYS 74 HD2 LYS 74 198.070 -0.415 -8.954 551 HD3 LYS 74 HD3 LYS 74 199.015 -1.834 -9.407 552 HE2 LYS 74 HE2 LYS 74 197.723 -2.141 -11.396 553 HE3 LYS 74 HE3 LYS 74 196.572 -0.899 -10.903 554 HZ1 LYS 74 HZ1 LYS 74 198.835 0.493 -10.879 555 HZ2 LYS 74 HZ2 LYS 74 197.840 0.368 -12.241 556 HZ3 LYS 74 HZ3 LYS 74 199.205 -0.621 -12.099 557 H LEU 75 H LEU 75 197.518 -0.907 -5.339 558 HA LEU 75 HA LEU 75 196.698 1.387 -4.050 559 HB2 LEU 75 HB2 LEU 75 198.947 -0.111 -4.025 560 HB3 LEU 75 HB3 LEU 75 199.540 1.312 -4.860 561 HG LEU 75 HG LEU 75 198.018 1.816 -2.377 562 HD11 LEU 75 HD11 LEU 75 199.160 0.267 -1.220 563 HD12 LEU 75 HD12 LEU 75 200.478 1.435 -1.319 564 HD13 LEU 75 HD13 LEU 75 200.398 0.096 -2.464 565 HD21 LEU 75 HD21 LEU 75 200.683 2.958 -2.783 566 HD22 LEU 75 HD22 LEU 75 199.152 3.748 -2.413 567 HD23 LEU 75 HD23 LEU 75 199.538 3.310 -4.077 568 H GLY 76 H GLY 76 196.513 3.482 -4.526 569 HA2 GLY 76 HA2 GLY 76 197.183 5.462 -5.707 570 HA3 GLY 76 HA3 GLY 76 197.613 4.445 -7.074 571 H ASP 77 H ASP 77 195.147 2.872 -6.836 572 HA ASP 77 HA ASP 77 193.552 4.363 -8.589 573 HB2 ASP 77 HB2 ASP 77 193.743 1.817 -8.359 574 HB3 ASP 77 HB3 ASP 77 192.594 1.972 -7.037 575 H LYS 78 H LYS 78 191.262 4.893 -8.267 576 HA LYS 78 HA LYS 78 190.730 5.833 -5.519 577 HB2 LYS 78 HB2 LYS 78 191.219 7.642 -7.188 578 HB3 LYS 78 HB3 LYS 78 189.803 7.124 -8.095 579 HG2 LYS 78 HG2 LYS 78 188.350 8.030 -6.611 580 HG3 LYS 78 HG3 LYS 78 189.409 7.746 -5.228 581 HD2 LYS 78 HD2 LYS 78 190.480 9.728 -5.473 582 HD3 LYS 78 HD3 LYS 78 190.367 9.693 -7.235 583 HE2 LYS 78 HE2 LYS 78 187.766 9.985 -6.597 584 HE3 LYS 78 HE3 LYS 78 188.510 10.811 -5.230 585 HZ1 LYS 78 HZ1 LYS 78 189.874 11.990 -7.056 586 HZ2 LYS 78 HZ2 LYS 78 188.281 12.486 -6.774 587 HZ3 LYS 78 HZ3 LYS 78 188.634 11.488 -8.092 588 H ILE 79 H ILE 79 188.443 6.037 -4.971 589 HA ILE 79 HA ILE 79 186.821 4.017 -6.362 590 HB ILE 79 HB ILE 79 187.361 4.397 -3.514 591 HG12 ILE 79 HG12 ILE 79 186.580 1.983 -3.541 592 HG13 ILE 79 HG13 ILE 79 186.336 2.169 -5.275 593 HG21 ILE 79 HG21 ILE 79 185.118 3.680 -2.771 594 HG22 ILE 79 HG22 ILE 79 184.520 3.921 -4.412 595 HG23 ILE 79 HG23 ILE 79 185.110 5.295 -3.479 596 HD11 ILE 79 HD11 ILE 79 188.619 2.406 -5.686 597 HD12 ILE 79 HD12 ILE 79 188.515 1.119 -4.486 598 HD13 ILE 79 HD13 ILE 79 188.979 2.749 -3.993 599 H TYR 80 H TYR 80 184.645 4.358 -6.693 600 HA TYR 80 HA TYR 80 183.487 6.937 -5.970 601 HB2 TYR 80 HB2 TYR 80 183.506 5.953 -8.833 602 HB3 TYR 80 HB3 TYR 80 182.792 7.450 -8.240 603 HD1 TYR 80 HD1 TYR 80 186.013 5.682 -8.735 604 HD2 TYR 80 HD2 TYR 80 184.090 9.412 -8.037 605 HE1 TYR 80 HE1 TYR 80 188.138 6.849 -9.143 606 HE2 TYR 80 HE2 TYR 80 186.210 10.589 -8.444 607 HH TYR 80 HH TYR 80 189.216 8.938 -8.670 608 H PHE 81 H PHE 81 181.441 6.581 -5.222 609 HA PHE 81 HA PHE 81 179.782 4.556 -6.451 610 HB2 PHE 81 HB2 PHE 81 179.460 3.311 -4.297 611 HB3 PHE 81 HB3 PHE 81 181.032 3.102 -5.027 612 HD1 PHE 81 HD1 PHE 81 182.831 4.913 -4.172 613 HD2 PHE 81 HD2 PHE 81 179.356 3.663 -2.059 614 HE1 PHE 81 HE1 PHE 81 183.855 5.645 -2.057 615 HE2 PHE 81 HE2 PHE 81 180.375 4.390 0.058 616 HZ PHE 81 HZ PHE 81 182.625 5.385 0.060 617 H TRP 82 H TRP 82 177.933 4.064 -4.782 618 HA TRP 82 HA TRP 82 176.995 6.379 -3.325 619 HB2 TRP 82 HB2 TRP 82 174.870 6.552 -4.530 620 HB3 TRP 82 HB3 TRP 82 176.216 6.873 -5.617 621 HD1 TRP 82 HD1 TRP 82 176.696 5.086 -7.541 622 HE1 TRP 82 HE1 TRP 82 175.219 3.263 -8.592 623 HE3 TRP 82 HE3 TRP 82 173.026 4.857 -3.990 624 HZ2 TRP 82 HZ2 TRP 82 172.818 1.907 -8.005 625 HZ3 TRP 82 HZ3 TRP 82 171.171 3.270 -4.313 626 HH2 TRP 82 HH2 TRP 82 171.071 1.828 -6.279 627 H THR 83 H THR 83 175.981 5.659 -1.530 628 HA THR 83 HA THR 83 175.220 2.807 -1.506 629 HB THR 83 HB THR 83 175.355 3.073 1.004 630 HG1 THR 83 HG1 THR 83 175.268 5.321 1.127 631 HG21 THR 83 HG21 THR 83 177.412 2.263 0.936 632 HG22 THR 83 HG22 THR 83 178.064 3.774 0.299 633 HG23 THR 83 HG23 THR 83 177.385 2.573 -0.800 634 H TYR 84 H TYR 84 173.272 2.161 -0.533 635 HA TYR 84 HA TYR 84 171.331 4.320 -0.069 636 HB2 TYR 84 HB2 TYR 84 171.065 3.362 -2.347 637 HB3 TYR 84 HB3 TYR 84 170.798 1.782 -1.621 638 HD1 TYR 84 HD1 TYR 84 169.488 5.154 -0.701 639 HD2 TYR 84 HD2 TYR 84 168.588 1.215 -2.028 640 HE1 TYR 84 HE1 TYR 84 167.085 5.655 -0.537 641 HE2 TYR 84 HE2 TYR 84 166.183 1.703 -1.871 642 HH TYR 84 HH TYR 84 164.949 4.789 -1.591 643 H VAL 85 H VAL 85 169.732 3.894 1.450 644 HA VAL 85 HA VAL 85 169.915 1.331 2.867 645 HB VAL 85 HB VAL 85 170.752 2.279 4.704 646 HG11 VAL 85 HG11 VAL 85 170.329 5.016 3.520 647 HG12 VAL 85 HG12 VAL 85 171.719 3.982 3.181 648 HG13 VAL 85 HG13 VAL 85 171.436 4.573 4.819 649 HG21 VAL 85 HG21 VAL 85 168.487 2.475 5.496 650 HG22 VAL 85 HG22 VAL 85 168.294 4.027 4.679 651 HG23 VAL 85 HG23 VAL 85 169.409 3.877 6.035 652 H ILE 86 H ILE 86 167.982 0.925 4.257 653 HA ILE 86 HA ILE 86 165.582 2.358 3.348 654 HB ILE 86 HB ILE 86 165.744 -0.649 3.561 655 HG12 ILE 86 HG12 ILE 86 166.975 0.265 1.626 656 HG13 ILE 86 HG13 ILE 86 165.574 -0.695 1.156 657 HG21 ILE 86 HG21 ILE 86 163.491 0.486 2.124 658 HG22 ILE 86 HG22 ILE 86 163.549 1.015 3.805 659 HG23 ILE 86 HG23 ILE 86 163.520 -0.707 3.422 660 HD11 ILE 86 HD11 ILE 86 164.504 1.784 1.243 661 HD12 ILE 86 HD12 ILE 86 165.150 1.012 -0.205 662 HD13 ILE 86 HD13 ILE 86 166.151 2.131 0.718 663 H LYS 87 H LYS 87 164.602 3.135 5.054 664 HA LYS 87 HA LYS 87 164.712 1.639 7.587 665 HB2 LYS 87 HB2 LYS 87 165.771 4.017 7.349 666 HB3 LYS 87 HB3 LYS 87 164.108 4.573 7.443 667 HG2 LYS 87 HG2 LYS 87 164.003 3.103 9.578 668 HG3 LYS 87 HG3 LYS 87 165.763 3.212 9.520 669 HD2 LYS 87 HD2 LYS 87 165.689 5.599 9.656 670 HD3 LYS 87 HD3 LYS 87 163.935 5.608 9.455 671 HE2 LYS 87 HE2 LYS 87 165.452 4.448 11.792 672 HE3 LYS 87 HE3 LYS 87 164.565 5.973 11.787 673 HZ1 LYS 87 HZ1 LYS 87 162.540 4.666 11.262 674 HZ2 LYS 87 HZ2 LYS 87 163.200 4.314 12.779 675 HZ3 LYS 87 HZ3 LYS 87 163.433 3.247 11.488 676 H ASP 88 H ASP 88 162.843 0.538 6.349 677 HA ASP 88 HA ASP 88 160.624 0.031 6.330 678 HB2 ASP 88 HB2 ASP 88 160.892 0.999 8.747 679 HB3 ASP 88 HB3 ASP 88 160.008 2.375 8.098 680 H GLY 89 H GLY 89 161.136 1.038 4.091 681 HA2 GLY 89 HA2 GLY 89 160.191 2.105 2.284 682 HA3 GLY 89 HA3 GLY 89 158.866 2.584 3.336 683 H LEU 90 H LEU 90 162.175 3.374 4.087 684 HA LEU 90 HA LEU 90 161.877 6.090 3.053 685 HB2 LEU 90 HB2 LEU 90 162.743 5.727 5.900 686 HB3 LEU 90 HB3 LEU 90 162.166 7.179 5.098 687 HG LEU 90 HG LEU 90 160.401 4.801 5.606 688 HD11 LEU 90 HD11 LEU 90 160.106 7.189 7.308 689 HD12 LEU 90 HD12 LEU 90 161.523 6.191 7.632 690 HD13 LEU 90 HD13 LEU 90 159.911 5.482 7.701 691 HD21 LEU 90 HD21 LEU 90 160.000 6.823 3.920 692 HD22 LEU 90 HD22 LEU 90 159.409 7.582 5.400 693 HD23 LEU 90 HD23 LEU 90 158.691 6.074 4.835 694 H GLY 91 H GLY 91 163.500 5.183 1.648 695 HA2 GLY 91 HA2 GLY 91 166.047 4.589 2.820 696 HA3 GLY 91 HA3 GLY 91 165.639 4.429 1.131 697 H TYR 92 H TYR 92 168.014 5.441 1.999 698 HA TYR 92 HA TYR 92 168.015 8.057 0.748 699 HB2 TYR 92 HB2 TYR 92 169.329 7.741 3.451 700 HB3 TYR 92 HB3 TYR 92 169.137 9.217 2.511 701 HD1 TYR 92 HD1 TYR 92 167.003 10.391 2.461 702 HD2 TYR 92 HD2 TYR 92 167.490 6.836 4.747 703 HE1 TYR 92 HE1 TYR 92 164.916 10.887 3.664 704 HE2 TYR 92 HE2 TYR 92 165.403 7.321 5.955 705 HH TYR 92 HH TYR 92 163.966 9.169 6.481 706 H ARG 93 H ARG 93 169.974 8.397 -0.371 707 HA ARG 93 HA ARG 93 171.979 6.302 0.067 708 HB2 ARG 93 HB2 ARG 93 172.484 6.322 -2.327 709 HB3 ARG 93 HB3 ARG 93 170.807 5.867 -2.011 710 HG2 ARG 93 HG2 ARG 93 171.323 8.732 -2.512 711 HG3 ARG 93 HG3 ARG 93 171.518 7.637 -3.881 712 HD2 ARG 93 HD2 ARG 93 169.305 7.133 -3.968 713 HD3 ARG 93 HD3 ARG 93 169.091 7.287 -2.226 714 HE ARG 93 HE ARG 93 168.544 9.494 -2.519 715 HH11 ARG 93 HH11 ARG 93 169.991 8.279 -5.455 716 HH12 ARG 93 HH12 ARG 93 169.611 9.696 -6.375 717 HH21 ARG 93 HH21 ARG 93 168.044 11.358 -3.729 718 HH22 ARG 93 HH22 ARG 93 168.508 11.445 -5.396 719 H GLN 94 H GLN 94 174.098 6.769 -0.114 720 HA GLN 94 HA GLN 94 174.782 9.617 -0.021 721 HB2 GLN 94 HB2 GLN 94 175.511 8.320 1.917 722 HB3 GLN 94 HB3 GLN 94 176.329 7.171 0.869 723 HG2 GLN 94 HG2 GLN 94 177.650 9.273 0.071 724 HG3 GLN 94 HG3 GLN 94 177.102 9.954 1.601 725 HE21 GLN 94 HE21 GLN 94 179.733 9.728 1.248 726 HE22 GLN 94 HE22 GLN 94 180.384 8.440 2.199 727 H ASP 95 H ASP 95 174.478 9.658 -2.360 728 HA ASP 95 HA ASP 95 176.289 8.172 -4.019 729 HB2 ASP 95 HB2 ASP 95 175.326 9.543 -5.859 730 HB3 ASP 95 HB3 ASP 95 174.110 8.718 -4.893 731 H ASN 96 H ASN 96 177.427 9.548 -5.802 732 HA ASN 96 HA ASN 96 179.217 10.844 -6.322 733 HB2 ASN 96 HB2 ASN 96 177.592 12.657 -5.988 734 HB3 ASN 96 HB3 ASN 96 177.987 12.697 -4.273 735 HD21 ASN 96 HD21 ASN 96 179.376 14.192 -3.691 736 HD22 ASN 96 HD22 ASN 96 180.566 14.931 -4.701 737 H GLY 97 H GLY 97 179.218 8.972 -3.895 738 HA2 GLY 97 HA2 GLY 97 181.128 10.147 -2.089 739 HA3 GLY 97 HA3 GLY 97 180.590 8.475 -2.094 740 H GLU 98 H GLU 98 183.213 9.060 -1.625 741 HA GLU 98 HA GLU 98 184.468 7.683 -3.836 742 HB2 GLU 98 HB2 GLU 98 186.260 9.320 -4.135 743 HB3 GLU 98 HB3 GLU 98 184.695 10.023 -4.517 744 HG2 GLU 98 HG2 GLU 98 184.660 11.047 -2.260 745 HG3 GLU 98 HG3 GLU 98 186.293 10.436 -2.003 746 H TRP 99 H TRP 99 186.678 7.006 -3.337 747 HA TRP 99 HA TRP 99 187.586 7.210 -0.609 748 HB2 TRP 99 HB2 TRP 99 185.973 5.426 -0.348 749 HB3 TRP 99 HB3 TRP 99 186.638 4.571 -1.729 750 HD1 TRP 99 HD1 TRP 99 187.833 5.697 1.794 751 HE1 TRP 99 HE1 TRP 99 189.445 3.890 2.675 752 HE3 TRP 99 HE3 TRP 99 187.916 2.642 -2.283 753 HZ2 TRP 99 HZ2 TRP 99 190.600 1.480 1.742 754 HZ3 TRP 99 HZ3 TRP 99 189.289 0.609 -2.221 755 HH2 TRP 99 HH2 TRP 99 190.599 0.044 -0.249 756 H THR 100 H THR 100 189.682 5.963 -0.325 757 HA THR 100 HA THR 100 191.211 6.169 -2.830 758 HB THR 100 HB THR 100 191.762 7.619 -0.815 759 HG1 THR 100 HG1 THR 100 193.243 7.031 -2.570 760 HG21 THR 100 HG21 THR 100 191.922 5.094 0.496 761 HG22 THR 100 HG22 THR 100 192.169 6.711 1.161 762 HG23 THR 100 HG23 THR 100 193.527 5.826 0.471 763 H VAL 101 H VAL 101 192.978 4.730 -3.206 764 HA VAL 101 HA VAL 101 192.670 2.088 -1.930 765 HB VAL 101 HB VAL 101 193.612 2.427 -4.769 766 HG11 VAL 101 HG11 VAL 101 192.170 0.019 -3.909 767 HG12 VAL 101 HG12 VAL 101 193.702 0.295 -3.081 768 HG13 VAL 101 HG13 VAL 101 193.658 0.181 -4.839 769 HG21 VAL 101 HG21 VAL 101 190.776 1.838 -3.910 770 HG22 VAL 101 HG22 VAL 101 191.380 1.972 -5.561 771 HG23 VAL 101 HG23 VAL 101 191.328 3.396 -4.522 772 H THR 102 H THR 102 194.678 4.693 -2.295 773 HA THR 102 HA THR 102 197.195 3.571 -2.807 774 HB THR 102 HB THR 102 198.094 5.601 -1.705 775 HG1 THR 102 HG1 THR 102 195.384 6.223 -1.173 776 HG21 THR 102 HG21 THR 102 196.097 5.681 -3.841 777 HG22 THR 102 HG22 THR 102 197.727 6.351 -3.775 778 HG23 THR 102 HG23 THR 102 196.383 7.222 -3.033 779 H GLU 103 H GLU 103 195.184 3.243 -0.073 780 HA GLU 103 HA GLU 103 197.475 2.304 1.526 781 HB2 GLU 103 HB2 GLU 103 195.951 2.622 3.501 782 HB3 GLU 103 HB3 GLU 103 196.414 4.106 2.680 783 HG2 GLU 103 HG2 GLU 103 194.247 4.064 1.484 784 HG3 GLU 103 HG3 GLU 103 193.789 2.657 2.442 785 H PHE 104 H PHE 104 197.025 0.435 2.951 786 HA PHE 104 HA PHE 104 194.859 -1.284 1.990 787 HB2 PHE 104 HB2 PHE 104 197.799 -1.935 2.002 788 HB3 PHE 104 HB3 PHE 104 196.588 -3.206 2.118 789 HD1 PHE 104 HD1 PHE 104 194.760 -3.203 0.265 790 HD2 PHE 104 HD2 PHE 104 198.515 -1.228 -0.071 791 HE1 PHE 104 HE1 PHE 104 194.546 -3.223 -2.185 792 HE2 PHE 104 HE2 PHE 104 198.308 -1.243 -2.523 793 HZ PHE 104 HZ PHE 104 196.320 -2.241 -3.586 794 H VAL 105 H VAL 105 193.945 -2.518 3.581 795 HA VAL 105 HA VAL 105 195.004 -2.043 6.252 796 HB VAL 105 HB VAL 105 192.869 -2.489 7.165 797 HG11 VAL 105 HG11 VAL 105 193.242 -0.415 5.575 798 HG12 VAL 105 HG12 VAL 105 191.669 -0.743 6.300 799 HG13 VAL 105 HG13 VAL 105 191.981 -1.201 4.627 800 HG21 VAL 105 HG21 VAL 105 192.561 -4.168 4.820 801 HG22 VAL 105 HG22 VAL 105 191.150 -3.138 5.056 802 HG23 VAL 105 HG23 VAL 105 191.690 -4.207 6.352 803 H ASN 106 H ASN 106 193.861 -4.201 7.604 804 HA ASN 106 HA ASN 106 195.467 -6.431 6.530 805 HB2 ASN 106 HB2 ASN 106 195.146 -5.307 9.248 806 HB3 ASN 106 HB3 ASN 106 195.251 -7.061 9.131 807 HD21 ASN 106 HD21 ASN 106 197.099 -5.078 10.254 808 HD22 ASN 106 HD22 ASN 106 198.607 -5.343 9.454 809 H GLU 107 H GLU 107 194.697 -8.505 6.590 810 HA GLU 107 HA GLU 107 191.956 -8.909 6.238 811 HB2 GLU 107 HB2 GLU 107 194.257 -10.745 6.849 812 HB3 GLU 107 HB3 GLU 107 192.614 -11.371 6.827 813 HG2 GLU 107 HG2 GLU 107 193.451 -9.760 4.498 814 HG3 GLU 107 HG3 GLU 107 194.199 -11.347 4.685 815 H ASP 108 H ASP 108 193.860 -8.493 9.041 816 HA ASP 108 HA ASP 108 192.243 -9.860 10.933 817 HB2 ASP 108 HB2 ASP 108 194.324 -7.699 11.101 818 HB3 ASP 108 HB3 ASP 108 193.380 -8.127 12.525 819 H GLY 109 H GLY 109 192.083 -6.737 9.372 820 HA2 GLY 109 HA2 GLY 109 189.805 -5.818 9.215 821 HA3 GLY 109 HA3 GLY 109 189.626 -6.188 10.920 822 H THR 110 H THR 110 192.627 -4.817 9.731 823 HA THR 110 HA THR 110 191.756 -2.150 10.454 824 HB THR 110 HB THR 110 193.242 -1.728 12.170 825 HG1 THR 110 HG1 THR 110 194.616 -4.068 11.359 826 HG21 THR 110 HG21 THR 110 193.137 -3.642 13.785 827 HG22 THR 110 HG22 THR 110 192.338 -4.571 12.516 828 HG23 THR 110 HG23 THR 110 191.585 -3.103 13.142 829 HA PRO 111 HA PRO 111 194.158 -0.652 7.250 830 HB2 PRO 111 HB2 PRO 111 195.020 1.552 9.032 831 HB3 PRO 111 HB3 PRO 111 194.150 1.618 7.496 832 HG2 PRO 111 HG2 PRO 111 192.904 2.075 9.817 833 HG3 PRO 111 HG3 PRO 111 192.100 1.216 8.490 834 HD2 PRO 111 HD2 PRO 111 193.315 0.116 10.990 835 HD3 PRO 111 HD3 PRO 111 191.840 -0.373 10.155 836 H ALA 112 H ALA 112 195.660 -2.572 7.811 837 HA ALA 112 HA ALA 112 197.802 -3.309 7.717 838 HB1 ALA 112 HB1 ALA 112 199.308 -1.950 6.754 839 HB2 ALA 112 HB2 ALA 112 199.030 -0.644 7.908 840 HB3 ALA 112 HB3 ALA 112 197.907 -0.895 6.569 841 H ASP 113 H ASP 113 199.658 -3.670 9.077 842 HA ASP 113 HA ASP 113 199.599 -2.370 11.699 843 HB2 ASP 113 HB2 ASP 113 198.276 -4.540 11.725 844 HB3 ASP 113 HB3 ASP 113 199.800 -5.370 11.430 845 H THR 114 H THR 114 201.553 -1.470 11.812 846 HA THR 114 HA THR 114 203.887 -3.182 11.328 847 HB THR 114 HB THR 114 203.841 -1.896 9.348 848 HG1 THR 114 HG1 THR 114 205.871 -1.841 10.428 849 HG21 THR 114 HG21 THR 114 203.271 0.513 11.054 850 HG22 THR 114 HG22 THR 114 202.210 -0.225 9.854 851 HG23 THR 114 HG23 THR 114 203.698 0.572 9.344 852 H SER 115 H SER 115 203.566 -3.268 13.729 853 HA SER 115 HA SER 115 204.245 -2.735 15.832 854 HB2 SER 115 HB2 SER 115 206.343 -1.997 14.109 855 HB3 SER 115 HB3 SER 115 206.167 -0.658 15.242 856 HG SER 115 HG SER 115 207.001 -3.253 15.679 857 H LEU 116 H LEU 116 204.992 -0.482 17.122 858 HA LEU 116 HA LEU 116 203.049 1.594 16.418 859 HB2 LEU 116 HB2 LEU 116 203.074 -0.079 18.877 860 HB3 LEU 116 HB3 LEU 116 202.694 1.623 19.062 861 HG LEU 116 HG LEU 116 201.221 -0.218 17.180 862 HD11 LEU 116 HD11 LEU 116 199.484 -0.374 18.822 863 HD12 LEU 116 HD12 LEU 116 200.354 0.701 19.914 864 HD13 LEU 116 HD13 LEU 116 200.996 -0.903 19.559 865 HD21 LEU 116 HD21 LEU 116 200.879 2.622 18.067 866 HD22 LEU 116 HD22 LEU 116 199.496 1.674 17.519 867 HD23 LEU 116 HD23 LEU 116 200.861 1.951 16.436 868 H GLU 117 H GLU 117 205.038 2.676 15.784 869 HA GLU 117 HA GLU 117 206.502 3.764 18.097 870 HB2 GLU 117 HB2 GLU 117 207.654 2.315 16.165 871 HB3 GLU 117 HB3 GLU 117 207.714 3.890 15.385 872 HG2 GLU 117 HG2 GLU 117 208.697 4.611 17.730 873 HG3 GLU 117 HG3 GLU 117 209.135 2.904 17.794 874 HA PRO 118 HA PRO 118 204.645 7.611 16.787 875 HB2 PRO 118 HB2 PRO 118 206.000 9.255 18.467 876 HB3 PRO 118 HB3 PRO 118 204.667 8.225 19.002 877 HG2 PRO 118 HG2 PRO 118 207.620 7.772 19.227 878 HG3 PRO 118 HG3 PRO 118 206.350 7.497 20.434 879 HD2 PRO 118 HD2 PRO 118 207.408 5.494 18.953 880 HD3 PRO 118 HD3 PRO 118 205.718 5.488 19.495 Start of MODEL 13 1 H GLN 6 H GLN 6 163.506 12.838 9.466 2 HA GLN 6 HA GLN 6 163.549 11.949 7.252 3 HB2 GLN 6 HB2 GLN 6 163.776 14.867 6.651 4 HB3 GLN 6 HB3 GLN 6 164.596 13.729 5.588 5 HG2 GLN 6 HG2 GLN 6 162.579 12.704 4.954 6 HG3 GLN 6 HG3 GLN 6 161.687 13.466 6.270 7 HE21 GLN 6 HE21 GLN 6 162.241 16.037 6.136 8 HE22 GLN 6 HE22 GLN 6 161.803 16.714 4.608 9 H TYR 7 H TYR 7 165.162 10.886 8.471 10 HA TYR 7 HA TYR 7 167.627 11.989 9.211 11 HB2 TYR 7 HB2 TYR 7 166.734 9.860 10.073 12 HB3 TYR 7 HB3 TYR 7 167.029 9.103 8.520 13 HD1 TYR 7 HD1 TYR 7 168.917 11.131 11.040 14 HD2 TYR 7 HD2 TYR 7 168.915 7.788 8.407 15 HE1 TYR 7 HE1 TYR 7 171.178 10.537 11.803 16 HE2 TYR 7 HE2 TYR 7 171.177 7.185 9.160 17 HH TYR 7 HH TYR 7 173.158 8.393 10.193 18 H VAL 8 H VAL 8 169.737 11.025 8.329 19 HA VAL 8 HA VAL 8 169.726 11.318 5.395 20 HB VAL 8 HB VAL 8 172.017 12.017 7.224 21 HG11 VAL 8 HG11 VAL 8 172.793 11.582 5.029 22 HG12 VAL 8 HG12 VAL 8 172.720 13.336 5.192 23 HG13 VAL 8 HG13 VAL 8 171.460 12.480 4.304 24 HG21 VAL 8 HG21 VAL 8 171.180 14.410 6.347 25 HG22 VAL 8 HG22 VAL 8 170.653 13.701 7.874 26 HG23 VAL 8 HG23 VAL 8 169.632 13.572 6.442 27 H VAL 9 H VAL 9 171.467 10.218 4.251 28 HA VAL 9 HA VAL 9 171.706 7.502 5.058 29 HB VAL 9 HB VAL 9 171.593 8.120 2.698 30 HG11 VAL 9 HG11 VAL 9 174.201 8.953 2.096 31 HG12 VAL 9 HG12 VAL 9 173.670 9.953 3.445 32 HG13 VAL 9 HG13 VAL 9 172.714 9.888 1.966 33 HG21 VAL 9 HG21 VAL 9 173.991 6.639 3.695 34 HG22 VAL 9 HG22 VAL 9 173.762 6.881 1.963 35 HG23 VAL 9 HG23 VAL 9 172.540 6.025 2.902 36 HA PRO 10 HA PRO 10 175.342 7.756 7.590 37 HB2 PRO 10 HB2 PRO 10 176.244 5.185 7.245 38 HB3 PRO 10 HB3 PRO 10 174.959 5.647 8.363 39 HG2 PRO 10 HG2 PRO 10 174.764 4.470 5.626 40 HG3 PRO 10 HG3 PRO 10 173.792 4.124 7.067 41 HD2 PRO 10 HD2 PRO 10 172.891 5.687 5.063 42 HD3 PRO 10 HD3 PRO 10 172.445 5.972 6.757 43 H SER 11 H SER 11 177.721 6.778 7.394 44 HA SER 11 HA SER 11 178.701 7.618 4.759 45 HB2 SER 11 HB2 SER 11 179.310 8.937 6.872 46 HB3 SER 11 HB3 SER 11 180.331 7.561 7.288 47 HG SER 11 HG SER 11 180.880 9.569 5.642 48 H ALA 12 H ALA 12 179.392 6.034 3.495 49 HA ALA 12 HA ALA 12 179.969 3.425 4.498 50 HB1 ALA 12 HB1 ALA 12 180.870 4.035 1.777 51 HB2 ALA 12 HB2 ALA 12 179.171 4.391 2.088 52 HB3 ALA 12 HB3 ALA 12 179.796 2.765 2.361 53 H LYS 13 H LYS 13 181.724 3.309 5.797 54 HA LYS 13 HA LYS 13 184.225 4.575 5.015 55 HB2 LYS 13 HB2 LYS 13 183.208 3.174 7.450 56 HB3 LYS 13 HB3 LYS 13 184.945 3.228 7.186 57 HG2 LYS 13 HG2 LYS 13 185.032 5.285 7.989 58 HG3 LYS 13 HG3 LYS 13 183.887 5.837 6.766 59 HD2 LYS 13 HD2 LYS 13 182.196 5.912 8.231 60 HD3 LYS 13 HD3 LYS 13 182.621 4.350 8.932 61 HE2 LYS 13 HE2 LYS 13 184.484 5.523 10.146 62 HE3 LYS 13 HE3 LYS 13 183.787 7.046 9.595 63 HZ1 LYS 13 HZ1 LYS 13 182.040 5.140 10.969 64 HZ2 LYS 13 HZ2 LYS 13 181.996 6.831 10.963 65 HZ3 LYS 13 HZ3 LYS 13 183.148 6.020 11.900 66 H LEU 14 H LEU 14 185.411 3.565 3.510 67 HA LEU 14 HA LEU 14 185.410 0.630 3.459 68 HB2 LEU 14 HB2 LEU 14 186.334 2.538 1.316 69 HB3 LEU 14 HB3 LEU 14 186.166 0.798 1.166 70 HG LEU 14 HG LEU 14 183.644 1.386 1.833 71 HD11 LEU 14 HD11 LEU 14 184.211 3.813 2.003 72 HD12 LEU 14 HD12 LEU 14 182.901 3.440 0.883 73 HD13 LEU 14 HD13 LEU 14 184.512 3.805 0.265 74 HD21 LEU 14 HD21 LEU 14 184.871 0.416 -0.342 75 HD22 LEU 14 HD22 LEU 14 184.271 1.940 -1.000 76 HD23 LEU 14 HD23 LEU 14 183.146 0.783 -0.289 77 H GLU 15 H GLU 15 187.422 -0.429 2.792 78 HA GLU 15 HA GLU 15 189.911 0.932 3.384 79 HB2 GLU 15 HB2 GLU 15 188.783 -1.274 5.092 80 HB3 GLU 15 HB3 GLU 15 190.517 -1.005 4.974 81 HG2 GLU 15 HG2 GLU 15 190.322 0.463 6.614 82 HG3 GLU 15 HG3 GLU 15 189.440 1.505 5.498 83 H ALA 16 H ALA 16 191.653 -0.007 2.309 84 HA ALA 16 HA ALA 16 190.935 -2.071 0.391 85 HB1 ALA 16 HB1 ALA 16 192.784 -1.439 -0.828 86 HB2 ALA 16 HB2 ALA 16 193.681 -0.921 0.597 87 HB3 ALA 16 HB3 ALA 16 192.359 0.069 -0.019 88 H ILE 17 H ILE 17 191.186 -4.141 0.760 89 HA ILE 17 HA ILE 17 192.931 -5.048 2.912 90 HB ILE 17 HB ILE 17 191.101 -6.764 1.242 91 HG12 ILE 17 HG12 ILE 17 189.777 -4.933 2.185 92 HG13 ILE 17 HG13 ILE 17 189.399 -6.450 2.995 93 HG21 ILE 17 HG21 ILE 17 192.734 -7.124 3.664 94 HG22 ILE 17 HG22 ILE 17 192.243 -8.292 2.439 95 HG23 ILE 17 HG23 ILE 17 191.120 -7.829 3.717 96 HD11 ILE 17 HD11 ILE 17 189.973 -5.622 4.966 97 HD12 ILE 17 HD12 ILE 17 190.070 -4.043 4.185 98 HD13 ILE 17 HD13 ILE 17 191.518 -5.038 4.348 99 H TYR 18 H TYR 18 194.449 -6.740 2.642 100 HA TYR 18 HA TYR 18 195.471 -7.002 -0.110 101 HB2 TYR 18 HB2 TYR 18 196.768 -5.995 2.167 102 HB3 TYR 18 HB3 TYR 18 197.444 -7.603 1.924 103 HD1 TYR 18 HD1 TYR 18 196.309 -5.050 -0.549 104 HD2 TYR 18 HD2 TYR 18 199.559 -7.301 1.021 105 HE1 TYR 18 HE1 TYR 18 197.771 -4.163 -2.319 106 HE2 TYR 18 HE2 TYR 18 201.030 -6.420 -0.742 107 HH TYR 18 HH TYR 18 201.183 -4.579 -2.265 108 HA PRO 19 HA PRO 19 197.148 -8.158 -0.995 109 HB2 PRO 19 HB2 PRO 19 196.895 -10.399 -2.775 110 HB3 PRO 19 HB3 PRO 19 198.324 -9.869 -1.888 111 HG2 PRO 19 HG2 PRO 19 196.978 -12.218 -1.399 112 HG3 PRO 19 HG3 PRO 19 197.994 -11.379 -0.214 113 HD2 PRO 19 HD2 PRO 19 195.013 -11.363 -0.509 114 HD3 PRO 19 HD3 PRO 19 195.999 -11.420 0.966 115 H ARG 20 H ARG 20 193.972 -9.312 -1.023 116 HA ARG 20 HA ARG 20 193.144 -7.412 -2.928 117 HB2 ARG 20 HB2 ARG 20 192.102 -9.129 -4.500 118 HB3 ARG 20 HB3 ARG 20 193.840 -8.888 -4.628 119 HG2 ARG 20 HG2 ARG 20 194.290 -10.911 -3.472 120 HG3 ARG 20 HG3 ARG 20 192.599 -11.096 -3.008 121 HD2 ARG 20 HD2 ARG 20 192.437 -12.423 -4.803 122 HD3 ARG 20 HD3 ARG 20 192.442 -10.929 -5.737 123 HE ARG 20 HE ARG 20 195.083 -11.858 -5.196 124 HH11 ARG 20 HH11 ARG 20 192.321 -12.336 -7.275 125 HH12 ARG 20 HH12 ARG 20 193.259 -12.970 -8.585 126 HH21 ARG 20 HH21 ARG 20 196.319 -12.694 -6.918 127 HH22 ARG 20 HH22 ARG 20 195.529 -13.175 -8.383 128 H GLY 21 H GLY 21 191.721 -6.749 -1.353 129 HA2 GLY 21 HA2 GLY 21 189.282 -8.285 -1.172 130 HA3 GLY 21 HA3 GLY 21 190.133 -8.121 0.348 131 H LEU 22 H LEU 22 188.015 -7.056 0.896 132 HA LEU 22 HA LEU 22 188.371 -4.201 0.754 133 HB2 LEU 22 HB2 LEU 22 187.196 -4.460 -1.306 134 HB3 LEU 22 HB3 LEU 22 186.025 -5.541 -0.574 135 HG LEU 22 HG LEU 22 185.127 -3.677 0.753 136 HD11 LEU 22 HD11 LEU 22 187.493 -2.463 0.434 137 HD12 LEU 22 HD12 LEU 22 186.008 -1.599 0.827 138 HD13 LEU 22 HD13 LEU 22 186.578 -1.659 -0.841 139 HD21 LEU 22 HD21 LEU 22 185.163 -3.707 -2.199 140 HD22 LEU 22 HD22 LEU 22 184.526 -2.250 -1.436 141 HD23 LEU 22 HD23 LEU 22 183.807 -3.819 -1.075 142 H ARG 23 H ARG 23 187.206 -3.072 2.322 143 HA ARG 23 HA ARG 23 185.426 -4.588 4.072 144 HB2 ARG 23 HB2 ARG 23 187.667 -4.852 5.047 145 HB3 ARG 23 HB3 ARG 23 187.866 -3.105 5.072 146 HG2 ARG 23 HG2 ARG 23 186.962 -3.044 7.086 147 HG3 ARG 23 HG3 ARG 23 185.456 -3.681 6.423 148 HD2 ARG 23 HD2 ARG 23 186.308 -5.043 8.285 149 HD3 ARG 23 HD3 ARG 23 186.224 -5.949 6.774 150 HE ARG 23 HE ARG 23 188.774 -5.036 6.820 151 HH11 ARG 23 HH11 ARG 23 186.820 -6.819 9.097 152 HH12 ARG 23 HH12 ARG 23 188.169 -7.662 9.784 153 HH21 ARG 23 HH21 ARG 23 190.548 -6.145 7.722 154 HH22 ARG 23 HH22 ARG 23 190.284 -7.280 9.001 155 H VAL 24 H VAL 24 183.635 -3.372 3.832 156 HA VAL 24 HA VAL 24 183.901 -0.453 4.139 157 HB VAL 24 HB VAL 24 181.584 -1.896 2.868 158 HG11 VAL 24 HG11 VAL 24 181.468 0.507 1.802 159 HG12 VAL 24 HG12 VAL 24 182.347 0.950 3.265 160 HG13 VAL 24 HG13 VAL 24 180.767 0.176 3.386 161 HG21 VAL 24 HG21 VAL 24 183.637 -2.330 1.595 162 HG22 VAL 24 HG22 VAL 24 183.932 -0.595 1.493 163 HG23 VAL 24 HG23 VAL 24 182.520 -1.297 0.704 164 H SER 25 H SER 25 182.119 0.658 5.220 165 HA SER 25 HA SER 25 180.365 -0.896 6.909 166 HB2 SER 25 HB2 SER 25 181.946 1.036 8.491 167 HB3 SER 25 HB3 SER 25 181.337 -0.557 8.937 168 HG SER 25 HG SER 25 183.049 -1.475 7.767 169 H ILE 26 H ILE 26 178.623 0.279 7.684 170 HA ILE 26 HA ILE 26 178.564 3.169 7.168 171 HB ILE 26 HB ILE 26 176.291 2.950 6.153 172 HG12 ILE 26 HG12 ILE 26 176.620 0.275 5.148 173 HG13 ILE 26 HG13 ILE 26 176.630 0.252 6.907 174 HG21 ILE 26 HG21 ILE 26 177.978 3.455 4.630 175 HG22 ILE 26 HG22 ILE 26 177.191 2.044 3.924 176 HG23 ILE 26 HG23 ILE 26 178.722 1.863 4.781 177 HD11 ILE 26 HD11 ILE 26 174.393 -0.027 5.740 178 HD12 ILE 26 HD12 ILE 26 174.509 1.689 5.352 179 HD13 ILE 26 HD13 ILE 26 174.480 1.165 7.036 180 HA PRO 27 HA PRO 27 176.936 2.901 11.374 181 HB2 PRO 27 HB2 PRO 27 175.999 5.611 10.532 182 HB3 PRO 27 HB3 PRO 27 176.794 5.112 12.030 183 HG2 PRO 27 HG2 PRO 27 178.159 6.381 10.130 184 HG3 PRO 27 HG3 PRO 27 178.896 5.060 11.055 185 HD2 PRO 27 HD2 PRO 27 177.906 5.085 8.252 186 HD3 PRO 27 HD3 PRO 27 179.235 4.159 8.973 187 H ASP 28 H ASP 28 175.239 1.506 11.336 188 HA ASP 28 HA ASP 28 172.907 1.888 9.753 189 HB2 ASP 28 HB2 ASP 28 173.636 -0.348 10.428 190 HB3 ASP 28 HB3 ASP 28 173.388 0.068 12.120 191 H ASP 29 H ASP 29 170.825 2.401 10.394 192 HA ASP 29 HA ASP 29 170.493 3.617 13.043 193 HB2 ASP 29 HB2 ASP 29 170.816 5.172 10.813 194 HB3 ASP 29 HB3 ASP 29 169.065 4.992 10.858 195 H GLY 30 H GLY 30 169.714 1.095 12.420 196 HA2 GLY 30 HA2 GLY 30 167.900 -0.271 12.670 197 HA3 GLY 30 HA3 GLY 30 166.947 1.173 12.944 198 H PHE 31 H PHE 31 168.846 0.469 10.065 199 HA PHE 31 HA PHE 31 166.567 0.969 8.393 200 HB2 PHE 31 HB2 PHE 31 169.236 -0.112 7.493 201 HB3 PHE 31 HB3 PHE 31 168.054 0.770 6.535 202 HD1 PHE 31 HD1 PHE 31 167.409 3.046 8.211 203 HD2 PHE 31 HD2 PHE 31 171.161 1.160 7.538 204 HE1 PHE 31 HE1 PHE 31 168.557 5.157 8.734 205 HE2 PHE 31 HE2 PHE 31 172.318 3.266 8.060 206 HZ PHE 31 HZ PHE 31 171.016 5.269 8.658 207 H SER 32 H SER 32 166.742 -0.669 6.333 208 HA SER 32 HA SER 32 166.423 -3.393 7.351 209 HB2 SER 32 HB2 SER 32 164.379 -3.685 6.049 210 HB3 SER 32 HB3 SER 32 164.186 -2.337 7.169 211 HG SER 32 HG SER 32 163.482 -1.519 5.298 212 H LEU 33 H LEU 33 167.294 -1.214 4.740 213 HA LEU 33 HA LEU 33 168.548 -3.531 3.428 214 HB2 LEU 33 HB2 LEU 33 166.287 -2.822 2.337 215 HB3 LEU 33 HB3 LEU 33 167.221 -1.482 1.721 216 HG LEU 33 HG LEU 33 168.859 -3.251 0.839 217 HD11 LEU 33 HD11 LEU 33 166.561 -5.080 0.603 218 HD12 LEU 33 HD12 LEU 33 167.328 -4.996 2.188 219 HD13 LEU 33 HD13 LEU 33 168.283 -5.426 0.768 220 HD21 LEU 33 HD21 LEU 33 166.326 -3.470 -0.659 221 HD22 LEU 33 HD22 LEU 33 167.933 -2.981 -1.199 222 HD23 LEU 33 HD23 LEU 33 166.909 -1.839 -0.329 223 H PHE 34 H PHE 34 170.566 -3.183 2.876 224 HA PHE 34 HA PHE 34 171.495 -0.412 2.535 225 HB2 PHE 34 HB2 PHE 34 172.422 -1.259 4.578 226 HB3 PHE 34 HB3 PHE 34 172.884 -2.766 3.810 227 HD1 PHE 34 HD1 PHE 34 173.375 0.760 2.727 228 HD2 PHE 34 HD2 PHE 34 175.184 -2.906 3.907 229 HE1 PHE 34 HE1 PHE 34 175.591 1.687 2.193 230 HE2 PHE 34 HE2 PHE 34 177.404 -1.985 3.377 231 HZ PHE 34 HZ PHE 34 177.609 0.314 2.519 232 H ALA 35 H ALA 35 171.349 -0.390 0.300 233 HA ALA 35 HA ALA 35 172.696 -2.500 -1.206 234 HB1 ALA 35 HB1 ALA 35 171.234 -2.093 -2.842 235 HB2 ALA 35 HB2 ALA 35 171.527 -0.355 -2.781 236 HB3 ALA 35 HB3 ALA 35 170.370 -1.093 -1.674 237 H PHE 36 H PHE 36 174.734 -2.262 -1.806 238 HA PHE 36 HA PHE 36 175.857 0.450 -1.912 239 HB2 PHE 36 HB2 PHE 36 176.895 -1.176 -0.326 240 HB3 PHE 36 HB3 PHE 36 177.337 -2.177 -1.704 241 HD1 PHE 36 HD1 PHE 36 178.957 -1.310 -3.381 242 HD2 PHE 36 HD2 PHE 36 178.170 0.713 0.280 243 HE1 PHE 36 HE1 PHE 36 181.045 -0.032 -3.642 244 HE2 PHE 36 HE2 PHE 36 180.255 1.995 0.025 245 HZ PHE 36 HZ PHE 36 181.695 1.622 -1.938 246 H HIS 37 H HIS 37 176.558 1.281 -3.760 247 HA HIS 37 HA HIS 37 176.946 -0.477 -6.087 248 HB2 HIS 37 HB2 HIS 37 174.977 1.535 -5.682 249 HB3 HIS 37 HB3 HIS 37 176.130 2.158 -6.842 250 HD1 HIS 37 HD1 HIS 37 175.474 -1.493 -6.862 251 HD2 HIS 37 HD2 HIS 37 174.140 1.892 -8.859 252 HE1 HIS 37 HE1 HIS 37 174.188 -2.349 -8.843 253 HE2 HIS 37 HE2 HIS 37 173.268 -0.282 -9.951 254 H GLY 38 H GLY 38 179.114 -0.330 -6.669 255 HA2 GLY 38 HA2 GLY 38 180.268 2.348 -6.790 256 HA3 GLY 38 HA3 GLY 38 180.996 1.272 -5.614 257 H LYS 39 H LYS 39 181.878 2.602 -8.180 258 HA LYS 39 HA LYS 39 182.945 0.193 -9.492 259 HB2 LYS 39 HB2 LYS 39 181.421 1.677 -10.880 260 HB3 LYS 39 HB3 LYS 39 182.666 2.913 -10.768 261 HG2 LYS 39 HG2 LYS 39 183.315 2.004 -12.723 262 HG3 LYS 39 HG3 LYS 39 184.160 0.881 -11.655 263 HD2 LYS 39 HD2 LYS 39 182.454 -0.755 -11.885 264 HD3 LYS 39 HD3 LYS 39 181.367 0.392 -12.672 265 HE2 LYS 39 HE2 LYS 39 182.537 -1.295 -14.170 266 HE3 LYS 39 HE3 LYS 39 182.637 0.399 -14.649 267 HZ1 LYS 39 HZ1 LYS 39 184.842 0.468 -14.277 268 HZ2 LYS 39 HZ2 LYS 39 184.745 -1.205 -14.511 269 HZ3 LYS 39 HZ3 LYS 39 184.780 -0.572 -12.943 270 H LEU 40 H LEU 40 185.147 0.143 -9.963 271 HA LEU 40 HA LEU 40 186.751 1.970 -8.351 272 HB2 LEU 40 HB2 LEU 40 187.071 -0.466 -8.135 273 HB3 LEU 40 HB3 LEU 40 187.551 -0.543 -9.819 274 HG LEU 40 HG LEU 40 189.428 1.084 -9.182 275 HD11 LEU 40 HD11 LEU 40 190.064 0.623 -6.696 276 HD12 LEU 40 HD12 LEU 40 188.332 0.351 -6.506 277 HD13 LEU 40 HD13 LEU 40 188.919 1.907 -7.093 278 HD21 LEU 40 HD21 LEU 40 189.465 -1.695 -8.010 279 HD22 LEU 40 HD22 LEU 40 190.867 -0.730 -8.478 280 HD23 LEU 40 HD23 LEU 40 189.741 -1.303 -9.708 281 H ASN 41 H ASN 41 187.782 3.637 -9.201 282 HA ASN 41 HA ASN 41 188.697 5.085 -10.695 283 HB2 ASN 41 HB2 ASN 41 190.288 3.095 -10.845 284 HB3 ASN 41 HB3 ASN 41 189.455 2.669 -12.335 285 HD21 ASN 41 HD21 ASN 41 190.602 5.703 -10.894 286 HD22 ASN 41 HD22 ASN 41 191.496 6.220 -12.280 287 H GLU 42 H GLU 42 186.285 5.461 -11.092 288 HA GLU 42 HA GLU 42 185.814 6.172 -13.683 289 HB2 GLU 42 HB2 GLU 42 185.781 3.847 -14.352 290 HB3 GLU 42 HB3 GLU 42 184.629 3.455 -13.082 291 HG2 GLU 42 HG2 GLU 42 182.966 4.891 -14.180 292 HG3 GLU 42 HG3 GLU 42 184.123 5.213 -15.471 293 H GLU 43 H GLU 43 184.603 7.837 -13.171 294 HA GLU 43 HA GLU 43 183.004 8.137 -10.931 295 HB2 GLU 43 HB2 GLU 43 182.603 9.535 -13.575 296 HB3 GLU 43 HB3 GLU 43 182.083 10.106 -11.996 297 HG2 GLU 43 HG2 GLU 43 184.386 10.327 -11.290 298 HG3 GLU 43 HG3 GLU 43 184.927 9.695 -12.838 299 H MET 44 H MET 44 180.554 9.041 -11.641 300 HA MET 44 HA MET 44 179.177 6.868 -13.029 301 HB2 MET 44 HB2 MET 44 177.963 7.695 -10.448 302 HB3 MET 44 HB3 MET 44 177.933 6.134 -11.258 303 HG2 MET 44 HG2 MET 44 180.221 5.708 -10.553 304 HG3 MET 44 HG3 MET 44 180.287 7.287 -9.777 305 HE1 MET 44 HE1 MET 44 177.798 3.682 -8.353 306 HE2 MET 44 HE2 MET 44 179.224 3.538 -9.383 307 HE3 MET 44 HE3 MET 44 177.766 4.316 -9.999 308 H ASP 45 H ASP 45 177.804 7.742 -14.428 309 HA ASP 45 HA ASP 45 177.024 10.484 -14.224 310 HB2 ASP 45 HB2 ASP 45 175.679 9.345 -16.361 311 HB3 ASP 45 HB3 ASP 45 177.204 10.200 -16.433 312 H GLY 46 H GLY 46 175.918 9.552 -12.071 313 HA2 GLY 46 HA2 GLY 46 173.868 9.723 -11.049 314 HA3 GLY 46 HA3 GLY 46 173.116 9.614 -12.616 315 H LEU 47 H LEU 47 173.960 8.011 -9.822 316 HA LEU 47 HA LEU 47 174.059 5.790 -9.202 317 HB2 LEU 47 HB2 LEU 47 171.322 5.658 -10.318 318 HB3 LEU 47 HB3 LEU 47 171.912 5.243 -8.723 319 HG LEU 47 HG LEU 47 171.663 8.080 -9.696 320 HD11 LEU 47 HD11 LEU 47 169.718 6.419 -8.093 321 HD12 LEU 47 HD12 LEU 47 169.447 7.141 -9.680 322 HD13 LEU 47 HD13 LEU 47 169.636 8.174 -8.262 323 HD21 LEU 47 HD21 LEU 47 173.212 7.289 -7.749 324 HD22 LEU 47 HD22 LEU 47 171.699 7.196 -6.846 325 HD23 LEU 47 HD23 LEU 47 172.207 8.727 -7.560 326 H GLU 48 H GLU 48 175.584 5.071 -10.829 327 HA GLU 48 HA GLU 48 174.433 3.605 -13.083 328 HB2 GLU 48 HB2 GLU 48 177.138 4.630 -12.388 329 HB3 GLU 48 HB3 GLU 48 177.058 3.180 -13.378 330 HG2 GLU 48 HG2 GLU 48 175.764 5.822 -14.015 331 HG3 GLU 48 HG3 GLU 48 177.240 5.188 -14.740 332 H ALA 49 H ALA 49 175.021 1.386 -13.479 333 HA ALA 49 HA ALA 49 174.498 -0.377 -11.480 334 HB1 ALA 49 HB1 ALA 49 176.245 -0.827 -13.892 335 HB2 ALA 49 HB2 ALA 49 174.503 -1.073 -13.775 336 HB3 ALA 49 HB3 ALA 49 175.603 -2.111 -12.867 337 H GLY 50 H GLY 50 177.685 0.866 -12.381 338 HA2 GLY 50 HA2 GLY 50 179.725 0.733 -11.334 339 HA3 GLY 50 HA3 GLY 50 178.792 0.727 -9.845 340 H HIS 51 H HIS 51 181.031 -0.602 -9.639 341 HA HIS 51 HA HIS 51 180.776 -3.343 -10.450 342 HB2 HIS 51 HB2 HIS 51 182.828 -1.699 -9.119 343 HB3 HIS 51 HB3 HIS 51 182.794 -3.390 -8.634 344 HD1 HIS 51 HD1 HIS 51 182.457 -4.941 -11.092 345 HD2 HIS 51 HD2 HIS 51 184.676 -1.429 -11.062 346 HE1 HIS 51 HE1 HIS 51 183.985 -5.095 -13.082 347 HE2 HIS 51 HE2 HIS 51 185.367 -2.990 -13.005 348 H TRP 52 H TRP 52 181.490 -2.206 -7.172 349 HA TRP 52 HA TRP 52 180.368 -4.415 -5.894 350 HB2 TRP 52 HB2 TRP 52 180.775 -1.601 -4.858 351 HB3 TRP 52 HB3 TRP 52 180.395 -2.995 -3.848 352 HD1 TRP 52 HD1 TRP 52 182.298 -5.074 -4.050 353 HE1 TRP 52 HE1 TRP 52 184.854 -4.853 -4.129 354 HE3 TRP 52 HE3 TRP 52 182.645 -0.185 -5.501 355 HZ2 TRP 52 HZ2 TRP 52 186.777 -2.863 -4.723 356 HZ3 TRP 52 HZ3 TRP 52 184.879 0.801 -5.804 357 HH2 TRP 52 HH2 TRP 52 186.900 -0.513 -5.422 358 H ALA 53 H ALA 53 178.372 -4.800 -6.902 359 HA ALA 53 HA ALA 53 176.201 -2.989 -6.072 360 HB1 ALA 53 HB1 ALA 53 174.946 -3.989 -8.037 361 HB2 ALA 53 HB2 ALA 53 176.498 -4.640 -8.564 362 HB3 ALA 53 HB3 ALA 53 176.274 -2.896 -8.424 363 H ARG 54 H ARG 54 175.805 -4.056 -4.103 364 HA ARG 54 HA ARG 54 174.308 -6.530 -4.406 365 HB2 ARG 54 HB2 ARG 54 176.696 -7.112 -3.977 366 HB3 ARG 54 HB3 ARG 54 176.568 -6.309 -2.427 367 HG2 ARG 54 HG2 ARG 54 175.639 -8.091 -1.487 368 HG3 ARG 54 HG3 ARG 54 174.436 -8.218 -2.772 369 HD2 ARG 54 HD2 ARG 54 175.681 -10.245 -2.771 370 HD3 ARG 54 HD3 ARG 54 176.196 -9.318 -4.179 371 HE ARG 54 HE ARG 54 177.837 -8.903 -1.857 372 HH11 ARG 54 HH11 ARG 54 177.302 -10.909 -4.661 373 HH12 ARG 54 HH12 ARG 54 178.939 -11.472 -4.727 374 HH21 ARG 54 HH21 ARG 54 179.991 -9.639 -1.942 375 HH22 ARG 54 HH22 ARG 54 180.467 -10.749 -3.183 376 H ASP 55 H ASP 55 172.584 -6.628 -3.102 377 HA ASP 55 HA ASP 55 172.137 -4.453 -1.221 378 HB2 ASP 55 HB2 ASP 55 169.818 -5.510 -1.132 379 HB3 ASP 55 HB3 ASP 55 170.299 -4.798 -2.664 380 H ILE 56 H ILE 56 171.985 -4.697 0.960 381 HA ILE 56 HA ILE 56 172.417 -7.416 2.019 382 HB ILE 56 HB ILE 56 173.204 -4.870 3.426 383 HG12 ILE 56 HG12 ILE 56 174.932 -6.665 1.705 384 HG13 ILE 56 HG13 ILE 56 174.430 -5.027 1.297 385 HG21 ILE 56 HG21 ILE 56 173.349 -7.738 4.004 386 HG22 ILE 56 HG22 ILE 56 173.356 -6.356 5.098 387 HG23 ILE 56 HG23 ILE 56 174.846 -6.856 4.300 388 HD11 ILE 56 HD11 ILE 56 176.774 -5.700 2.490 389 HD12 ILE 56 HD12 ILE 56 175.781 -5.250 3.876 390 HD13 ILE 56 HD13 ILE 56 176.023 -4.105 2.557 391 H THR 57 H THR 57 171.329 -8.037 3.901 392 HA THR 57 HA THR 57 169.224 -6.243 4.876 393 HB THR 57 HB THR 57 167.620 -8.162 4.858 394 HG1 THR 57 HG1 THR 57 169.692 -9.367 3.351 395 HG21 THR 57 HG21 THR 57 167.624 -8.303 2.193 396 HG22 THR 57 HG22 THR 57 168.647 -6.884 2.411 397 HG23 THR 57 HG23 THR 57 167.020 -6.910 3.088 398 H LYS 58 H LYS 58 171.841 -7.370 5.883 399 HA LYS 58 HA LYS 58 170.829 -8.159 8.496 400 HB2 LYS 58 HB2 LYS 58 172.508 -9.881 6.722 401 HB3 LYS 58 HB3 LYS 58 172.791 -9.929 8.457 402 HG2 LYS 58 HG2 LYS 58 169.985 -10.186 7.576 403 HG3 LYS 58 HG3 LYS 58 171.063 -11.534 7.208 404 HD2 LYS 58 HD2 LYS 58 170.566 -12.229 9.284 405 HD3 LYS 58 HD3 LYS 58 171.717 -10.994 9.799 406 HE2 LYS 58 HE2 LYS 58 169.937 -9.407 10.131 407 HE3 LYS 58 HE3 LYS 58 168.757 -10.532 9.459 408 HZ1 LYS 58 HZ1 LYS 58 169.178 -10.265 12.055 409 HZ2 LYS 58 HZ2 LYS 58 170.311 -11.478 11.732 410 HZ3 LYS 58 HZ3 LYS 58 168.680 -11.725 11.357 411 HA PRO 59 HA PRO 59 174.047 -4.863 8.808 412 HB2 PRO 59 HB2 PRO 59 172.819 -4.898 11.522 413 HB3 PRO 59 HB3 PRO 59 173.238 -3.521 10.498 414 HG2 PRO 59 HG2 PRO 59 170.704 -4.295 10.766 415 HG3 PRO 59 HG3 PRO 59 171.326 -3.740 9.201 416 HD2 PRO 59 HD2 PRO 59 170.727 -6.510 10.128 417 HD3 PRO 59 HD3 PRO 59 170.551 -5.797 8.512 418 H LYS 60 H LYS 60 175.728 -4.539 10.501 419 HA LYS 60 HA LYS 60 176.617 -7.141 11.553 420 HB2 LYS 60 HB2 LYS 60 177.959 -5.478 9.865 421 HB3 LYS 60 HB3 LYS 60 178.568 -4.930 11.420 422 HG2 LYS 60 HG2 LYS 60 178.682 -7.738 10.340 423 HG3 LYS 60 HG3 LYS 60 180.031 -6.611 10.502 424 HD2 LYS 60 HD2 LYS 60 178.398 -7.372 12.893 425 HD3 LYS 60 HD3 LYS 60 179.675 -8.441 12.309 426 HE2 LYS 60 HE2 LYS 60 180.470 -5.633 12.538 427 HE3 LYS 60 HE3 LYS 60 180.021 -6.380 14.069 428 HZ1 LYS 60 HZ1 LYS 60 181.769 -7.946 12.358 429 HZ2 LYS 60 HZ2 LYS 60 181.806 -7.728 14.034 430 HZ3 LYS 60 HZ3 LYS 60 182.452 -6.543 13.015 431 H GLU 61 H GLU 61 174.719 -5.666 12.915 432 HA GLU 61 HA GLU 61 174.210 -5.101 15.035 433 HB2 GLU 61 HB2 GLU 61 176.891 -6.182 15.330 434 HB3 GLU 61 HB3 GLU 61 176.567 -4.911 16.500 435 HG2 GLU 61 HG2 GLU 61 174.777 -6.084 17.445 436 HG3 GLU 61 HG3 GLU 61 174.661 -7.182 16.071 437 H GLY 62 H GLY 62 173.539 -3.111 14.417 438 HA2 GLY 62 HA2 GLY 62 173.448 -0.830 14.676 439 HA3 GLY 62 HA3 GLY 62 174.951 -0.923 15.585 440 H ARG 63 H ARG 63 175.683 -2.514 12.856 441 HA ARG 63 HA ARG 63 176.002 -0.257 11.080 442 HB2 ARG 63 HB2 ARG 63 178.152 -1.072 12.884 443 HB3 ARG 63 HB3 ARG 63 178.641 -1.060 11.195 444 HG2 ARG 63 HG2 ARG 63 178.043 1.244 10.972 445 HG3 ARG 63 HG3 ARG 63 177.323 1.262 12.582 446 HD2 ARG 63 HD2 ARG 63 179.541 2.297 12.573 447 HD3 ARG 63 HD3 ARG 63 179.503 0.849 13.579 448 HE ARG 63 HE ARG 63 180.376 -0.093 11.208 449 HH11 ARG 63 HH11 ARG 63 181.404 2.572 13.216 450 HH12 ARG 63 HH12 ARG 63 183.058 2.477 12.712 451 HH21 ARG 63 HH21 ARG 63 182.553 -0.219 10.545 452 HH22 ARG 63 HH22 ARG 63 183.710 0.894 11.196 453 H TRP 64 H TRP 64 176.088 -0.927 8.976 454 HA TRP 64 HA TRP 64 176.086 -3.772 8.487 455 HB2 TRP 64 HB2 TRP 64 176.003 -1.563 6.442 456 HB3 TRP 64 HB3 TRP 64 175.524 -3.227 6.230 457 HD1 TRP 64 HD1 TRP 64 174.380 -0.268 8.478 458 HE1 TRP 64 HE1 TRP 64 171.815 -0.346 8.617 459 HE3 TRP 64 HE3 TRP 64 173.528 -4.469 5.685 460 HZ2 TRP 64 HZ2 TRP 64 169.707 -1.961 7.674 461 HZ3 TRP 64 HZ3 TRP 64 171.203 -5.211 5.354 462 HH2 TRP 64 HH2 TRP 64 169.331 -3.979 6.332 463 H THR 65 H THR 65 177.504 -4.772 6.935 464 HA THR 65 HA THR 65 180.071 -3.400 6.560 465 HB THR 65 HB THR 65 180.055 -6.308 7.265 466 HG1 THR 65 HG1 THR 65 179.856 -4.139 9.068 467 HG21 THR 65 HG21 THR 65 182.142 -5.264 6.497 468 HG22 THR 65 HG22 THR 65 182.242 -5.853 8.158 469 HG23 THR 65 HG23 THR 65 182.045 -4.129 7.844 470 H PHE 66 H PHE 66 180.584 -3.374 4.497 471 HA PHE 66 HA PHE 66 179.644 -5.568 2.770 472 HB2 PHE 66 HB2 PHE 66 178.801 -3.179 2.348 473 HB3 PHE 66 HB3 PHE 66 180.435 -2.829 1.795 474 HD1 PHE 66 HD1 PHE 66 181.349 -4.669 0.062 475 HD2 PHE 66 HD2 PHE 66 177.262 -3.697 0.745 476 HE1 PHE 66 HE1 PHE 66 180.777 -5.518 -2.174 477 HE2 PHE 66 HE2 PHE 66 176.684 -4.546 -1.491 478 HZ PHE 66 HZ PHE 66 178.443 -5.459 -2.953 479 H ARG 67 H ARG 67 181.433 -6.901 3.099 480 HA ARG 67 HA ARG 67 184.039 -5.833 2.269 481 HB2 ARG 67 HB2 ARG 67 183.393 -8.408 3.716 482 HB3 ARG 67 HB3 ARG 67 185.005 -7.813 3.348 483 HG2 ARG 67 HG2 ARG 67 185.037 -6.675 5.241 484 HG3 ARG 67 HG3 ARG 67 183.609 -5.769 4.738 485 HD2 ARG 67 HD2 ARG 67 183.347 -6.956 6.912 486 HD3 ARG 67 HD3 ARG 67 182.150 -7.403 5.698 487 HE ARG 67 HE ARG 67 183.039 -9.526 5.626 488 HH11 ARG 67 HH11 ARG 67 185.130 -7.444 7.492 489 HH12 ARG 67 HH12 ARG 67 186.082 -8.750 8.113 490 HH21 ARG 67 HH21 ARG 67 184.290 -11.242 6.444 491 HH22 ARG 67 HH22 ARG 67 185.605 -10.905 7.520 492 H ASP 68 H ASP 68 185.309 -6.907 0.744 493 HA ASP 68 HA ASP 68 184.031 -9.038 -0.810 494 HB2 ASP 68 HB2 ASP 68 185.249 -6.559 -2.046 495 HB3 ASP 68 HB3 ASP 68 184.574 -7.931 -2.919 496 H ARG 69 H ARG 69 185.393 -10.682 -0.822 497 HA ARG 69 HA ARG 69 188.243 -10.230 -0.474 498 HB2 ARG 69 HB2 ARG 69 186.432 -12.600 -0.306 499 HB3 ARG 69 HB3 ARG 69 188.146 -12.865 -0.593 500 HG2 ARG 69 HG2 ARG 69 188.410 -12.794 1.607 501 HG3 ARG 69 HG3 ARG 69 188.094 -11.061 1.506 502 HD2 ARG 69 HD2 ARG 69 186.026 -11.258 2.381 503 HD3 ARG 69 HD3 ARG 69 185.702 -12.771 1.539 504 HE ARG 69 HE ARG 69 187.543 -13.410 3.463 505 HH11 ARG 69 HH11 ARG 69 184.364 -11.971 3.448 506 HH12 ARG 69 HH12 ARG 69 183.944 -12.581 5.013 507 HH21 ARG 69 HH21 ARG 69 186.992 -14.214 5.522 508 HH22 ARG 69 HH22 ARG 69 185.435 -13.852 6.192 509 H ASN 70 H ASN 70 186.729 -9.630 -3.029 510 HA ASN 70 HA ASN 70 188.656 -10.910 -4.804 511 HB2 ASN 70 HB2 ASN 70 185.693 -11.265 -4.942 512 HB3 ASN 70 HB3 ASN 70 186.597 -11.154 -6.449 513 HD21 ASN 70 HD21 ASN 70 188.741 -12.528 -6.261 514 HD22 ASN 70 HD22 ASN 70 188.478 -14.159 -5.752 515 H ALA 71 H ALA 71 188.157 -8.198 -3.716 516 HA ALA 71 HA ALA 71 187.275 -6.657 -6.009 517 HB1 ALA 71 HB1 ALA 71 188.396 -5.679 -3.385 518 HB2 ALA 71 HB2 ALA 71 186.687 -5.976 -3.705 519 HB3 ALA 71 HB3 ALA 71 187.546 -4.721 -4.597 520 H LYS 72 H LYS 72 188.583 -6.017 -7.582 521 HA LYS 72 HA LYS 72 191.443 -6.366 -7.327 522 HB2 LYS 72 HB2 LYS 72 190.000 -6.915 -9.389 523 HB3 LYS 72 HB3 LYS 72 190.034 -5.186 -9.707 524 HG2 LYS 72 HG2 LYS 72 192.190 -5.209 -10.365 525 HG3 LYS 72 HG3 LYS 72 192.644 -6.457 -9.204 526 HD2 LYS 72 HD2 LYS 72 190.841 -7.261 -11.412 527 HD3 LYS 72 HD3 LYS 72 192.517 -6.906 -11.833 528 HE2 LYS 72 HE2 LYS 72 191.734 -8.780 -9.614 529 HE3 LYS 72 HE3 LYS 72 192.008 -9.313 -11.273 530 HZ1 LYS 72 HZ1 LYS 72 194.017 -9.633 -10.107 531 HZ2 LYS 72 HZ2 LYS 72 193.968 -8.090 -9.416 532 HZ3 LYS 72 HZ3 LYS 72 194.261 -8.264 -11.072 533 H LEU 73 H LEU 73 191.647 -4.701 -5.643 534 HA LEU 73 HA LEU 73 191.544 -1.956 -6.682 535 HB2 LEU 73 HB2 LEU 73 192.074 -2.738 -3.828 536 HB3 LEU 73 HB3 LEU 73 191.519 -1.193 -4.447 537 HG LEU 73 HG LEU 73 189.749 -3.532 -4.898 538 HD11 LEU 73 HD11 LEU 73 190.427 -3.915 -2.610 539 HD12 LEU 73 HD12 LEU 73 188.775 -3.299 -2.652 540 HD13 LEU 73 HD13 LEU 73 190.103 -2.230 -2.204 541 HD21 LEU 73 HD21 LEU 73 189.546 -0.597 -4.557 542 HD22 LEU 73 HD22 LEU 73 188.177 -1.573 -4.028 543 HD23 LEU 73 HD23 LEU 73 188.733 -1.667 -5.699 544 H LYS 74 H LYS 74 193.364 -0.819 -7.058 545 HA LYS 74 HA LYS 74 195.911 -2.012 -6.179 546 HB2 LYS 74 HB2 LYS 74 195.039 -1.033 -8.845 547 HB3 LYS 74 HB3 LYS 74 196.696 -0.687 -8.372 548 HG2 LYS 74 HG2 LYS 74 196.981 -3.132 -7.910 549 HG3 LYS 74 HG3 LYS 74 195.391 -3.383 -8.633 550 HD2 LYS 74 HD2 LYS 74 196.632 -1.853 -10.523 551 HD3 LYS 74 HD3 LYS 74 197.973 -2.816 -9.900 552 HE2 LYS 74 HE2 LYS 74 197.135 -4.757 -10.715 553 HE3 LYS 74 HE3 LYS 74 195.461 -4.268 -10.453 554 HZ1 LYS 74 HZ1 LYS 74 196.182 -2.588 -12.389 555 HZ2 LYS 74 HZ2 LYS 74 195.470 -4.095 -12.678 556 HZ3 LYS 74 HZ3 LYS 74 197.149 -3.918 -12.785 557 H LEU 75 H LEU 75 197.640 -0.595 -5.760 558 HA LEU 75 HA LEU 75 197.049 1.648 -4.245 559 HB2 LEU 75 HB2 LEU 75 199.283 0.168 -4.769 560 HB3 LEU 75 HB3 LEU 75 199.679 1.664 -5.587 561 HG LEU 75 HG LEU 75 200.572 1.528 -3.286 562 HD11 LEU 75 HD11 LEU 75 199.248 3.745 -2.561 563 HD12 LEU 75 HD12 LEU 75 198.804 3.671 -4.264 564 HD13 LEU 75 HD13 LEU 75 200.503 3.719 -3.798 565 HD21 LEU 75 HD21 LEU 75 199.178 1.560 -1.382 566 HD22 LEU 75 HD22 LEU 75 198.588 0.250 -2.404 567 HD23 LEU 75 HD23 LEU 75 197.728 1.787 -2.357 568 H GLY 76 H GLY 76 196.697 3.738 -4.648 569 HA2 GLY 76 HA2 GLY 76 196.939 5.772 -5.815 570 HA3 GLY 76 HA3 GLY 76 197.477 4.867 -7.222 571 H ASP 77 H ASP 77 195.187 2.987 -6.936 572 HA ASP 77 HA ASP 77 193.451 4.177 -8.737 573 HB2 ASP 77 HB2 ASP 77 193.708 1.715 -8.302 574 HB3 ASP 77 HB3 ASP 77 192.743 1.933 -6.847 575 H LYS 78 H LYS 78 191.334 4.967 -8.545 576 HA LYS 78 HA LYS 78 190.694 6.055 -5.883 577 HB2 LYS 78 HB2 LYS 78 191.223 7.564 -7.991 578 HB3 LYS 78 HB3 LYS 78 189.548 7.215 -8.391 579 HG2 LYS 78 HG2 LYS 78 188.752 8.276 -6.453 580 HG3 LYS 78 HG3 LYS 78 190.352 8.299 -5.710 581 HD2 LYS 78 HD2 LYS 78 190.088 9.688 -8.306 582 HD3 LYS 78 HD3 LYS 78 189.256 10.425 -6.935 583 HE2 LYS 78 HE2 LYS 78 191.271 11.421 -6.653 584 HE3 LYS 78 HE3 LYS 78 191.608 9.929 -5.776 585 HZ1 LYS 78 HZ1 LYS 78 193.014 9.210 -7.363 586 HZ2 LYS 78 HZ2 LYS 78 193.154 10.856 -7.718 587 HZ3 LYS 78 HZ3 LYS 78 192.124 9.879 -8.636 588 H ILE 79 H ILE 79 188.540 6.067 -5.208 589 HA ILE 79 HA ILE 79 186.866 4.065 -6.551 590 HB ILE 79 HB ILE 79 187.303 4.671 -3.677 591 HG12 ILE 79 HG12 ILE 79 186.813 2.031 -3.891 592 HG13 ILE 79 HG13 ILE 79 187.326 2.367 -5.541 593 HG21 ILE 79 HG21 ILE 79 185.205 3.265 -3.233 594 HG22 ILE 79 HG22 ILE 79 184.706 3.743 -4.854 595 HG23 ILE 79 HG23 ILE 79 184.985 4.972 -3.619 596 HD11 ILE 79 HD11 ILE 79 189.458 2.978 -4.889 597 HD12 ILE 79 HD12 ILE 79 189.077 1.625 -3.821 598 HD13 ILE 79 HD13 ILE 79 188.970 3.280 -3.222 599 H TYR 80 H TYR 80 184.651 4.349 -6.758 600 HA TYR 80 HA TYR 80 183.492 6.947 -6.111 601 HB2 TYR 80 HB2 TYR 80 183.670 5.815 -8.911 602 HB3 TYR 80 HB3 TYR 80 182.520 7.067 -8.454 603 HD1 TYR 80 HD1 TYR 80 186.085 6.295 -8.942 604 HD2 TYR 80 HD2 TYR 80 183.226 9.336 -8.114 605 HE1 TYR 80 HE1 TYR 80 187.795 8.010 -9.369 606 HE2 TYR 80 HE2 TYR 80 184.929 11.059 -8.540 607 HH TYR 80 HH TYR 80 187.860 10.415 -10.051 608 H PHE 81 H PHE 81 181.477 6.598 -5.237 609 HA PHE 81 HA PHE 81 179.799 4.508 -6.316 610 HB2 PHE 81 HB2 PHE 81 179.578 3.346 -4.080 611 HB3 PHE 81 HB3 PHE 81 181.077 3.075 -4.941 612 HD1 PHE 81 HD1 PHE 81 179.677 5.489 -2.468 613 HD2 PHE 81 HD2 PHE 81 183.001 3.128 -3.684 614 HE1 PHE 81 HE1 PHE 81 180.922 6.230 -0.482 615 HE2 PHE 81 HE2 PHE 81 184.252 3.866 -1.696 616 HZ PHE 81 HZ PHE 81 183.213 5.417 -0.094 617 H TRP 82 H TRP 82 178.018 4.043 -4.546 618 HA TRP 82 HA TRP 82 177.118 6.321 -3.067 619 HB2 TRP 82 HB2 TRP 82 175.051 6.714 -4.272 620 HB3 TRP 82 HB3 TRP 82 176.410 6.947 -5.362 621 HD1 TRP 82 HD1 TRP 82 176.802 5.010 -7.237 622 HE1 TRP 82 HE1 TRP 82 175.112 3.445 -8.376 623 HE3 TRP 82 HE3 TRP 82 172.948 5.414 -3.904 624 HZ2 TRP 82 HZ2 TRP 82 172.490 2.502 -7.924 625 HZ3 TRP 82 HZ3 TRP 82 170.883 4.148 -4.331 626 HH2 TRP 82 HH2 TRP 82 170.659 2.721 -6.300 627 H THR 83 H THR 83 175.840 5.659 -1.398 628 HA THR 83 HA THR 83 175.224 2.781 -1.350 629 HB THR 83 HB THR 83 174.875 3.202 1.126 630 HG1 THR 83 HG1 THR 83 174.953 5.169 1.793 631 HG21 THR 83 HG21 THR 83 176.911 2.218 0.752 632 HG22 THR 83 HG22 THR 83 177.382 3.729 1.527 633 HG23 THR 83 HG23 THR 83 177.504 3.561 -0.224 634 H TYR 84 H TYR 84 173.186 2.083 -0.289 635 HA TYR 84 HA TYR 84 171.016 4.030 -0.448 636 HB2 TYR 84 HB2 TYR 84 171.122 3.033 -2.670 637 HB3 TYR 84 HB3 TYR 84 171.085 1.422 -1.965 638 HD1 TYR 84 HD1 TYR 84 169.032 4.474 -1.305 639 HD2 TYR 84 HD2 TYR 84 169.091 0.416 -2.584 640 HE1 TYR 84 HE1 TYR 84 166.577 4.489 -1.446 641 HE2 TYR 84 HE2 TYR 84 166.636 0.421 -2.730 642 HH TYR 84 HH TYR 84 164.786 3.303 -2.526 643 H VAL 85 H VAL 85 170.292 3.905 1.610 644 HA VAL 85 HA VAL 85 169.992 1.244 2.812 645 HB VAL 85 HB VAL 85 170.852 2.176 4.648 646 HG11 VAL 85 HG11 VAL 85 171.952 3.869 3.364 647 HG12 VAL 85 HG12 VAL 85 171.333 4.600 4.846 648 HG13 VAL 85 HG13 VAL 85 170.489 4.851 3.320 649 HG21 VAL 85 HG21 VAL 85 169.497 3.763 5.995 650 HG22 VAL 85 HG22 VAL 85 168.603 2.343 5.460 651 HG23 VAL 85 HG23 VAL 85 168.370 3.890 4.646 652 H ILE 86 H ILE 86 168.021 0.946 4.211 653 HA ILE 86 HA ILE 86 165.682 2.451 3.287 654 HB ILE 86 HB ILE 86 165.699 -0.564 3.349 655 HG12 ILE 86 HG12 ILE 86 167.102 0.342 1.525 656 HG13 ILE 86 HG13 ILE 86 165.681 -0.518 0.940 657 HG21 ILE 86 HG21 ILE 86 163.601 1.232 3.518 658 HG22 ILE 86 HG22 ILE 86 163.490 -0.474 3.084 659 HG23 ILE 86 HG23 ILE 86 163.613 0.750 1.822 660 HD11 ILE 86 HD11 ILE 86 166.523 2.114 0.360 661 HD12 ILE 86 HD12 ILE 86 164.981 2.198 1.213 662 HD13 ILE 86 HD13 ILE 86 165.126 1.234 -0.256 663 H LYS 87 H LYS 87 165.009 3.277 5.149 664 HA LYS 87 HA LYS 87 164.948 1.582 7.542 665 HB2 LYS 87 HB2 LYS 87 165.974 4.025 7.353 666 HB3 LYS 87 HB3 LYS 87 164.307 4.495 7.639 667 HG2 LYS 87 HG2 LYS 87 165.633 2.514 9.439 668 HG3 LYS 87 HG3 LYS 87 165.929 4.242 9.638 669 HD2 LYS 87 HD2 LYS 87 163.121 3.253 9.420 670 HD3 LYS 87 HD3 LYS 87 163.989 3.061 10.945 671 HE2 LYS 87 HE2 LYS 87 164.420 5.459 11.015 672 HE3 LYS 87 HE3 LYS 87 163.594 5.663 9.470 673 HZ1 LYS 87 HZ1 LYS 87 162.428 4.912 12.082 674 HZ2 LYS 87 HZ2 LYS 87 161.598 4.660 10.630 675 HZ3 LYS 87 HZ3 LYS 87 162.031 6.228 11.096 676 H ASP 88 H ASP 88 163.080 0.456 6.542 677 HA ASP 88 HA ASP 88 160.854 0.005 6.403 678 HB2 ASP 88 HB2 ASP 88 161.126 0.747 8.857 679 HB3 ASP 88 HB3 ASP 88 160.379 2.258 8.345 680 H GLY 89 H GLY 89 161.388 1.176 4.223 681 HA2 GLY 89 HA2 GLY 89 160.397 2.332 2.491 682 HA3 GLY 89 HA3 GLY 89 159.102 2.774 3.595 683 H LEU 90 H LEU 90 162.475 3.448 4.224 684 HA LEU 90 HA LEU 90 162.140 6.251 3.452 685 HB2 LEU 90 HB2 LEU 90 163.289 5.605 6.146 686 HB3 LEU 90 HB3 LEU 90 162.668 7.136 5.551 687 HG LEU 90 HG LEU 90 160.936 4.731 6.083 688 HD11 LEU 90 HD11 LEU 90 160.809 7.070 7.876 689 HD12 LEU 90 HD12 LEU 90 162.240 6.053 8.036 690 HD13 LEU 90 HD13 LEU 90 160.634 5.351 8.234 691 HD21 LEU 90 HD21 LEU 90 159.176 5.991 5.457 692 HD22 LEU 90 HD22 LEU 90 160.398 6.865 4.532 693 HD23 LEU 90 HD23 LEU 90 159.871 7.479 6.101 694 H GLY 91 H GLY 91 163.570 5.203 1.823 695 HA2 GLY 91 HA2 GLY 91 166.187 4.465 2.609 696 HA3 GLY 91 HA3 GLY 91 165.627 4.641 0.967 697 H TYR 92 H TYR 92 168.121 5.363 1.885 698 HA TYR 92 HA TYR 92 168.230 8.128 1.044 699 HB2 TYR 92 HB2 TYR 92 169.414 7.256 3.695 700 HB3 TYR 92 HB3 TYR 92 169.659 8.826 2.936 701 HD1 TYR 92 HD1 TYR 92 167.662 10.344 2.628 702 HD2 TYR 92 HD2 TYR 92 167.523 6.843 5.039 703 HE1 TYR 92 HE1 TYR 92 165.655 11.208 3.755 704 HE2 TYR 92 HE2 TYR 92 165.515 7.695 6.172 705 HH TYR 92 HH TYR 92 163.669 9.298 5.692 706 H ARG 93 H ARG 93 170.245 8.584 0.013 707 HA ARG 93 HA ARG 93 172.098 6.309 -0.014 708 HB2 ARG 93 HB2 ARG 93 172.521 6.724 -2.388 709 HB3 ARG 93 HB3 ARG 93 170.830 6.319 -2.080 710 HG2 ARG 93 HG2 ARG 93 171.415 9.190 -2.042 711 HG3 ARG 93 HG3 ARG 93 171.677 8.401 -3.599 712 HD2 ARG 93 HD2 ARG 93 169.169 7.805 -2.115 713 HD3 ARG 93 HD3 ARG 93 169.316 9.371 -2.913 714 HE ARG 93 HE ARG 93 170.057 7.508 -4.795 715 HH11 ARG 93 HH11 ARG 93 167.211 8.160 -2.883 716 HH12 ARG 93 HH12 ARG 93 166.118 7.524 -4.065 717 HH21 ARG 93 HH21 ARG 93 168.622 6.671 -6.351 718 HH22 ARG 93 HH22 ARG 93 166.919 6.680 -6.036 719 H GLN 94 H GLN 94 174.234 6.678 -0.231 720 HA GLN 94 HA GLN 94 175.097 9.453 0.210 721 HB2 GLN 94 HB2 GLN 94 175.708 7.738 1.963 722 HB3 GLN 94 HB3 GLN 94 176.681 6.932 0.741 723 HG2 GLN 94 HG2 GLN 94 177.607 9.468 0.551 724 HG3 GLN 94 HG3 GLN 94 177.211 9.372 2.264 725 HE21 GLN 94 HE21 GLN 94 179.582 8.893 0.048 726 HE22 GLN 94 HE22 GLN 94 180.578 7.782 0.919 727 H ASP 95 H ASP 95 174.736 9.670 -2.115 728 HA ASP 95 HA ASP 95 176.530 8.258 -3.880 729 HB2 ASP 95 HB2 ASP 95 175.465 9.600 -5.659 730 HB3 ASP 95 HB3 ASP 95 174.290 8.760 -4.656 731 H ASN 96 H ASN 96 177.549 9.728 -5.650 732 HA ASN 96 HA ASN 96 179.263 11.116 -6.191 733 HB2 ASN 96 HB2 ASN 96 177.611 12.865 -5.710 734 HB3 ASN 96 HB3 ASN 96 178.056 12.828 -4.011 735 HD21 ASN 96 HD21 ASN 96 179.357 13.412 -7.238 736 HD22 ASN 96 HD22 ASN 96 180.521 14.592 -6.751 737 H GLY 97 H GLY 97 179.420 9.128 -3.873 738 HA2 GLY 97 HA2 GLY 97 181.427 10.298 -2.144 739 HA3 GLY 97 HA3 GLY 97 180.847 8.641 -2.095 740 H GLU 98 H GLU 98 183.514 9.254 -1.825 741 HA GLU 98 HA GLU 98 184.599 7.757 -4.046 742 HB2 GLU 98 HB2 GLU 98 184.783 10.044 -4.879 743 HB3 GLU 98 HB3 GLU 98 185.604 10.537 -3.405 744 HG2 GLU 98 HG2 GLU 98 187.166 8.469 -4.281 745 HG3 GLU 98 HG3 GLU 98 186.648 9.225 -5.787 746 H TRP 99 H TRP 99 186.336 6.546 -3.474 747 HA TRP 99 HA TRP 99 187.549 7.049 -0.847 748 HB2 TRP 99 HB2 TRP 99 185.942 5.259 -0.547 749 HB3 TRP 99 HB3 TRP 99 186.604 4.387 -1.922 750 HD1 TRP 99 HD1 TRP 99 188.192 5.806 1.341 751 HE1 TRP 99 HE1 TRP 99 189.710 3.971 2.318 752 HE3 TRP 99 HE3 TRP 99 187.366 2.156 -2.122 753 HZ2 TRP 99 HZ2 TRP 99 190.452 1.326 1.689 754 HZ3 TRP 99 HZ3 TRP 99 188.510 -0.004 -1.865 755 HH2 TRP 99 HH2 TRP 99 190.016 -0.409 0.005 756 H THR 100 H THR 100 189.675 5.822 -0.609 757 HA THR 100 HA THR 100 191.117 5.967 -3.171 758 HB THR 100 HB THR 100 191.652 7.562 -1.253 759 HG1 THR 100 HG1 THR 100 193.888 7.374 -1.663 760 HG21 THR 100 HG21 THR 100 192.237 6.805 0.743 761 HG22 THR 100 HG22 THR 100 193.557 5.880 0.027 762 HG23 THR 100 HG23 THR 100 191.959 5.148 0.198 763 H VAL 101 H VAL 101 193.032 4.645 -3.400 764 HA VAL 101 HA VAL 101 192.877 2.051 -2.000 765 HB VAL 101 HB VAL 101 193.809 2.351 -4.855 766 HG11 VAL 101 HG11 VAL 101 194.668 0.373 -3.990 767 HG12 VAL 101 HG12 VAL 101 193.175 -0.152 -4.766 768 HG13 VAL 101 HG13 VAL 101 193.233 0.055 -3.015 769 HG21 VAL 101 HG21 VAL 101 191.057 1.727 -3.796 770 HG22 VAL 101 HG22 VAL 101 191.577 1.271 -5.416 771 HG23 VAL 101 HG23 VAL 101 191.520 2.972 -4.955 772 H THR 102 H THR 102 194.607 4.760 -2.211 773 HA THR 102 HA THR 102 197.228 3.995 -2.812 774 HB THR 102 HB THR 102 197.771 5.992 -1.233 775 HG1 THR 102 HG1 THR 102 196.098 7.143 -0.542 776 HG21 THR 102 HG21 THR 102 196.515 5.974 -3.875 777 HG22 THR 102 HG22 THR 102 197.971 6.792 -3.309 778 HG23 THR 102 HG23 THR 102 196.385 7.501 -3.003 779 H GLU 103 H GLU 103 195.301 3.216 -0.099 780 HA GLU 103 HA GLU 103 197.664 2.070 1.209 781 HB2 GLU 103 HB2 GLU 103 195.489 3.649 2.590 782 HB3 GLU 103 HB3 GLU 103 196.721 2.709 3.423 783 HG2 GLU 103 HG2 GLU 103 197.519 4.829 1.481 784 HG3 GLU 103 HG3 GLU 103 197.027 5.262 3.118 785 H PHE 104 H PHE 104 197.188 0.292 2.658 786 HA PHE 104 HA PHE 104 194.537 -0.905 2.283 787 HB2 PHE 104 HB2 PHE 104 197.194 -2.262 1.793 788 HB3 PHE 104 HB3 PHE 104 195.682 -3.139 1.991 789 HD1 PHE 104 HD1 PHE 104 197.116 -0.357 -0.043 790 HD2 PHE 104 HD2 PHE 104 194.516 -3.722 0.105 791 HE1 PHE 104 HE1 PHE 104 196.670 -0.116 -2.451 792 HE2 PHE 104 HE2 PHE 104 194.064 -3.486 -2.303 793 HZ PHE 104 HZ PHE 104 195.145 -1.681 -3.586 794 H VAL 105 H VAL 105 193.840 -2.197 4.008 795 HA VAL 105 HA VAL 105 195.429 -1.846 6.441 796 HB VAL 105 HB VAL 105 193.432 -2.268 7.718 797 HG11 VAL 105 HG11 VAL 105 192.706 -0.449 5.424 798 HG12 VAL 105 HG12 VAL 105 193.792 -0.008 6.741 799 HG13 VAL 105 HG13 VAL 105 192.101 -0.378 7.078 800 HG21 VAL 105 HG21 VAL 105 192.075 -3.832 6.804 801 HG22 VAL 105 HG22 VAL 105 192.447 -3.346 5.151 802 HG23 VAL 105 HG23 VAL 105 191.272 -2.430 6.096 803 H ASN 106 H ASN 106 195.563 -3.585 7.967 804 HA ASN 106 HA ASN 106 196.265 -6.072 6.691 805 HB2 ASN 106 HB2 ASN 106 197.451 -4.771 8.648 806 HB3 ASN 106 HB3 ASN 106 196.322 -5.681 9.645 807 HD21 ASN 106 HD21 ASN 106 197.873 -6.913 10.619 808 HD22 ASN 106 HD22 ASN 106 198.766 -8.134 9.789 809 H GLU 107 H GLU 107 195.530 -8.134 7.314 810 HA GLU 107 HA GLU 107 192.758 -8.410 7.546 811 HB2 GLU 107 HB2 GLU 107 194.883 -10.405 8.375 812 HB3 GLU 107 HB3 GLU 107 193.196 -10.771 8.035 813 HG2 GLU 107 HG2 GLU 107 193.469 -10.624 5.785 814 HG3 GLU 107 HG3 GLU 107 194.770 -9.441 5.906 815 H ASP 108 H ASP 108 195.148 -7.601 9.815 816 HA ASP 108 HA ASP 108 193.859 -8.569 12.181 817 HB2 ASP 108 HB2 ASP 108 196.139 -6.726 11.585 818 HB3 ASP 108 HB3 ASP 108 195.423 -6.690 13.193 819 H GLY 109 H GLY 109 193.687 -5.672 10.214 820 HA2 GLY 109 HA2 GLY 109 191.506 -4.529 10.316 821 HA3 GLY 109 HA3 GLY 109 191.613 -4.658 12.063 822 H THR 110 H THR 110 194.552 -3.885 10.435 823 HA THR 110 HA THR 110 194.086 -1.021 10.795 824 HB THR 110 HB THR 110 195.911 -0.618 12.164 825 HG1 THR 110 HG1 THR 110 196.786 -3.227 11.498 826 HG21 THR 110 HG21 THR 110 194.028 -2.001 13.272 827 HG22 THR 110 HG22 THR 110 195.547 -1.753 14.133 828 HG23 THR 110 HG23 THR 110 195.235 -3.285 13.318 829 HA PRO 111 HA PRO 111 196.157 -0.158 7.113 830 HB2 PRO 111 HB2 PRO 111 198.094 1.477 8.692 831 HB3 PRO 111 HB3 PRO 111 197.152 1.920 7.264 832 HG2 PRO 111 HG2 PRO 111 196.425 2.762 9.686 833 HG3 PRO 111 HG3 PRO 111 195.212 2.271 8.490 834 HD2 PRO 111 HD2 PRO 111 196.178 0.821 10.908 835 HD3 PRO 111 HD3 PRO 111 194.573 0.829 10.176 836 H ALA 112 H ALA 112 197.450 -1.390 5.985 837 HA ALA 112 HA ALA 112 199.624 -2.810 7.272 838 HB1 ALA 112 HB1 ALA 112 197.801 -3.672 5.528 839 HB2 ALA 112 HB2 ALA 112 199.406 -4.391 5.664 840 HB3 ALA 112 HB3 ALA 112 199.074 -3.210 4.397 841 H ASP 113 H ASP 113 200.841 -0.753 7.516 842 HA ASP 113 HA ASP 113 201.916 0.506 5.179 843 HB2 ASP 113 HB2 ASP 113 201.648 1.296 7.758 844 HB3 ASP 113 HB3 ASP 113 203.346 0.828 7.749 845 H THR 114 H THR 114 202.853 -1.204 4.004 846 HA THR 114 HA THR 114 204.880 -2.875 5.133 847 HB THR 114 HB THR 114 205.302 -3.174 2.503 848 HG1 THR 114 HG1 THR 114 202.576 -2.464 2.540 849 HG21 THR 114 HG21 THR 114 202.747 -4.280 3.591 850 HG22 THR 114 HG22 THR 114 204.310 -4.813 4.211 851 HG23 THR 114 HG23 THR 114 203.918 -5.028 2.505 852 H SER 115 H SER 115 206.279 -1.261 6.049 853 HA SER 115 HA SER 115 207.959 0.109 4.054 854 HB2 SER 115 HB2 SER 115 207.657 0.829 6.978 855 HB3 SER 115 HB3 SER 115 208.495 1.758 5.735 856 HG SER 115 HG SER 115 206.540 2.697 5.864 857 H LEU 116 H LEU 116 209.025 -2.028 3.860 858 HA LEU 116 HA LEU 116 211.113 -2.303 5.914 859 HB2 LEU 116 HB2 LEU 116 209.247 -4.324 4.869 860 HB3 LEU 116 HB3 LEU 116 210.924 -4.832 4.915 861 HG LEU 116 HG LEU 116 209.708 -3.608 7.357 862 HD11 LEU 116 HD11 LEU 116 208.997 -6.207 6.148 863 HD12 LEU 116 HD12 LEU 116 208.078 -5.170 7.240 864 HD13 LEU 116 HD13 LEU 116 209.352 -6.209 7.876 865 HD21 LEU 116 HD21 LEU 116 212.074 -4.019 7.392 866 HD22 LEU 116 HD22 LEU 116 211.838 -5.677 6.839 867 HD23 LEU 116 HD23 LEU 116 211.280 -5.194 8.441 868 H GLU 117 H GLU 117 212.254 -0.878 4.387 869 HA GLU 117 HA GLU 117 212.907 -1.741 1.768 870 HB2 GLU 117 HB2 GLU 117 213.256 0.578 3.242 871 HB3 GLU 117 HB3 GLU 117 214.897 -0.010 3.017 872 HG2 GLU 117 HG2 GLU 117 214.591 -0.050 0.619 873 HG3 GLU 117 HG3 GLU 117 212.907 0.437 0.804 874 HA PRO 118 HA PRO 118 215.904 -4.839 2.970 875 HB2 PRO 118 HB2 PRO 118 216.777 -5.469 0.485 876 HB3 PRO 118 HB3 PRO 118 215.216 -6.012 1.112 877 HG2 PRO 118 HG2 PRO 118 215.830 -3.720 -0.715 878 HG3 PRO 118 HG3 PRO 118 214.523 -4.913 -0.818 879 HD2 PRO 118 HD2 PRO 118 214.149 -2.415 0.167 880 HD3 PRO 118 HD3 PRO 118 213.227 -3.819 0.740 Start of MODEL 14 1 H GLN 6 H GLN 6 163.564 15.020 6.975 2 HA GLN 6 HA GLN 6 163.290 12.782 6.793 3 HB2 GLN 6 HB2 GLN 6 163.719 11.561 4.703 4 HB3 GLN 6 HB3 GLN 6 162.503 12.811 4.476 5 HG2 GLN 6 HG2 GLN 6 164.735 14.171 3.806 6 HG3 GLN 6 HG3 GLN 6 165.182 12.541 3.306 7 HE21 GLN 6 HE21 GLN 6 165.091 14.156 1.307 8 HE22 GLN 6 HE22 GLN 6 163.640 14.015 0.379 9 H TYR 7 H TYR 7 164.847 11.435 7.557 10 HA TYR 7 HA TYR 7 167.416 12.424 8.057 11 HB2 TYR 7 HB2 TYR 7 166.380 10.742 9.456 12 HB3 TYR 7 HB3 TYR 7 166.400 9.576 8.149 13 HD1 TYR 7 HD1 TYR 7 168.784 11.762 10.031 14 HD2 TYR 7 HD2 TYR 7 168.059 7.980 8.225 15 HE1 TYR 7 HE1 TYR 7 170.968 10.967 10.832 16 HE2 TYR 7 HE2 TYR 7 170.242 7.177 9.017 17 HH TYR 7 HH TYR 7 171.829 7.850 11.035 18 H VAL 8 H VAL 8 169.436 11.207 7.479 19 HA VAL 8 HA VAL 8 169.418 10.523 4.610 20 HB VAL 8 HB VAL 8 171.662 11.921 6.048 21 HG11 VAL 8 HG11 VAL 8 171.131 11.283 3.157 22 HG12 VAL 8 HG12 VAL 8 172.485 10.753 4.157 23 HG13 VAL 8 HG13 VAL 8 172.350 12.446 3.682 24 HG21 VAL 8 HG21 VAL 8 169.726 13.203 4.137 25 HG22 VAL 8 HG22 VAL 8 170.944 13.986 5.144 26 HG23 VAL 8 HG23 VAL 8 169.521 13.257 5.889 27 H VAL 9 H VAL 9 171.180 9.164 3.890 28 HA VAL 9 HA VAL 9 171.550 6.893 5.537 29 HB VAL 9 HB VAL 9 171.495 6.579 3.171 30 HG11 VAL 9 HG11 VAL 9 173.436 8.792 3.180 31 HG12 VAL 9 HG12 VAL 9 172.161 8.398 2.028 32 HG13 VAL 9 HG13 VAL 9 173.697 7.536 1.972 33 HG21 VAL 9 HG21 VAL 9 174.294 6.119 4.203 34 HG22 VAL 9 HG22 VAL 9 173.641 5.415 2.726 35 HG23 VAL 9 HG23 VAL 9 172.936 5.000 4.286 36 HA PRO 10 HA PRO 10 175.161 7.996 7.853 37 HB2 PRO 10 HB2 PRO 10 176.006 5.179 7.685 38 HB3 PRO 10 HB3 PRO 10 175.572 6.139 9.100 39 HG2 PRO 10 HG2 PRO 10 173.973 4.196 8.184 40 HG3 PRO 10 HG3 PRO 10 173.323 5.686 8.892 41 HD2 PRO 10 HD2 PRO 10 173.594 4.914 6.012 42 HD3 PRO 10 HD3 PRO 10 172.245 5.724 6.837 43 H SER 11 H SER 11 177.656 6.959 7.821 44 HA SER 11 HA SER 11 178.552 7.554 5.093 45 HB2 SER 11 HB2 SER 11 179.282 8.998 7.074 46 HB3 SER 11 HB3 SER 11 180.274 7.625 7.561 47 HG SER 11 HG SER 11 181.673 8.470 6.237 48 H ALA 12 H ALA 12 179.392 6.003 3.884 49 HA ALA 12 HA ALA 12 179.978 3.429 5.091 50 HB1 ALA 12 HB1 ALA 12 178.646 3.518 3.047 51 HB2 ALA 12 HB2 ALA 12 180.138 2.610 2.804 52 HB3 ALA 12 HB3 ALA 12 180.000 4.260 2.196 53 H LYS 13 H LYS 13 181.915 3.087 5.923 54 HA LYS 13 HA LYS 13 184.246 4.518 4.970 55 HB2 LYS 13 HB2 LYS 13 183.604 3.649 7.418 56 HB3 LYS 13 HB3 LYS 13 184.496 2.236 6.869 57 HG2 LYS 13 HG2 LYS 13 186.245 3.357 7.727 58 HG3 LYS 13 HG3 LYS 13 186.221 4.168 6.159 59 HD2 LYS 13 HD2 LYS 13 185.296 6.091 7.015 60 HD3 LYS 13 HD3 LYS 13 184.536 5.251 8.368 61 HE2 LYS 13 HE2 LYS 13 186.313 5.556 9.688 62 HE3 LYS 13 HE3 LYS 13 187.441 5.076 8.420 63 HZ1 LYS 13 HZ1 LYS 13 187.785 7.200 7.801 64 HZ2 LYS 13 HZ2 LYS 13 187.292 7.542 9.383 65 HZ3 LYS 13 HZ3 LYS 13 186.192 7.683 8.105 66 H LEU 14 H LEU 14 186.199 3.398 4.222 67 HA LEU 14 HA LEU 14 185.791 0.696 3.206 68 HB2 LEU 14 HB2 LEU 14 186.433 3.042 1.425 69 HB3 LEU 14 HB3 LEU 14 186.542 1.363 0.932 70 HG LEU 14 HG LEU 14 183.984 1.425 1.795 71 HD11 LEU 14 HD11 LEU 14 184.474 4.151 0.607 72 HD12 LEU 14 HD12 LEU 14 184.136 3.837 2.309 73 HD13 LEU 14 HD13 LEU 14 182.919 3.470 1.086 74 HD21 LEU 14 HD21 LEU 14 183.539 2.067 -0.732 75 HD22 LEU 14 HD22 LEU 14 184.260 0.524 -0.281 76 HD23 LEU 14 HD23 LEU 14 185.284 1.845 -0.841 77 H GLU 15 H GLU 15 187.634 -0.465 2.860 78 HA GLU 15 HA GLU 15 190.228 0.855 3.124 79 HB2 GLU 15 HB2 GLU 15 189.396 -1.507 4.821 80 HB3 GLU 15 HB3 GLU 15 190.988 -0.761 4.800 81 HG2 GLU 15 HG2 GLU 15 189.672 1.392 5.454 82 HG3 GLU 15 HG3 GLU 15 188.439 0.242 5.969 83 H ALA 16 H ALA 16 191.913 -0.242 2.063 84 HA ALA 16 HA ALA 16 190.999 -2.228 0.147 85 HB1 ALA 16 HB1 ALA 16 192.610 -1.453 -1.184 86 HB2 ALA 16 HB2 ALA 16 193.839 -1.607 0.071 87 HB3 ALA 16 HB3 ALA 16 192.818 -0.171 0.008 88 H ILE 17 H ILE 17 190.922 -4.269 0.758 89 HA ILE 17 HA ILE 17 192.646 -5.337 2.803 90 HB ILE 17 HB ILE 17 190.737 -6.865 1.032 91 HG12 ILE 17 HG12 ILE 17 189.573 -4.999 2.141 92 HG13 ILE 17 HG13 ILE 17 189.062 -6.554 2.788 93 HG21 ILE 17 HG21 ILE 17 192.589 -7.858 2.707 94 HG22 ILE 17 HG22 ILE 17 191.042 -8.642 2.391 95 HG23 ILE 17 HG23 ILE 17 191.247 -7.644 3.831 96 HD11 ILE 17 HD11 ILE 17 191.283 -5.407 4.264 97 HD12 ILE 17 HD12 ILE 17 189.734 -6.027 4.839 98 HD13 ILE 17 HD13 ILE 17 189.856 -4.369 4.245 99 H TYR 18 H TYR 18 194.521 -6.357 2.523 100 HA TYR 18 HA TYR 18 195.481 -6.819 -0.183 101 HB2 TYR 18 HB2 TYR 18 196.721 -5.876 2.064 102 HB3 TYR 18 HB3 TYR 18 197.230 -7.562 2.069 103 HD1 TYR 18 HD1 TYR 18 196.759 -4.954 -0.576 104 HD2 TYR 18 HD2 TYR 18 199.337 -7.840 1.190 105 HE1 TYR 18 HE1 TYR 18 198.481 -4.433 -2.252 106 HE2 TYR 18 HE2 TYR 18 201.068 -7.326 -0.480 107 HH TYR 18 HH TYR 18 200.993 -6.324 -2.960 108 HA PRO 19 HA PRO 19 196.794 -7.846 -1.241 109 HB2 PRO 19 HB2 PRO 19 197.202 -9.790 -3.066 110 HB3 PRO 19 HB3 PRO 19 198.195 -9.630 -1.615 111 HG2 PRO 19 HG2 PRO 19 196.191 -11.663 -2.285 112 HG3 PRO 19 HG3 PRO 19 197.478 -11.713 -1.071 113 HD2 PRO 19 HD2 PRO 19 194.665 -11.123 -0.710 114 HD3 PRO 19 HD3 PRO 19 195.920 -11.319 0.523 115 H ARG 20 H ARG 20 193.748 -9.120 -1.207 116 HA ARG 20 HA ARG 20 192.855 -7.507 -3.336 117 HB2 ARG 20 HB2 ARG 20 193.722 -10.023 -4.132 118 HB3 ARG 20 HB3 ARG 20 191.976 -10.190 -4.026 119 HG2 ARG 20 HG2 ARG 20 191.817 -8.113 -5.451 120 HG3 ARG 20 HG3 ARG 20 193.554 -8.277 -5.722 121 HD2 ARG 20 HD2 ARG 20 191.893 -10.687 -6.164 122 HD3 ARG 20 HD3 ARG 20 191.713 -9.374 -7.327 123 HE ARG 20 HE ARG 20 193.871 -11.181 -7.167 124 HH11 ARG 20 HH11 ARG 20 193.207 -7.800 -7.713 125 HH12 ARG 20 HH12 ARG 20 194.616 -7.551 -8.687 126 HH21 ARG 20 HH21 ARG 20 195.725 -10.857 -8.448 127 HH22 ARG 20 HH22 ARG 20 196.047 -9.288 -9.105 128 H GLY 21 H GLY 21 191.380 -6.648 -1.943 129 HA2 GLY 21 HA2 GLY 21 188.928 -7.999 -1.604 130 HA3 GLY 21 HA3 GLY 21 189.810 -8.031 -0.098 131 H LEU 22 H LEU 22 187.610 -6.817 0.287 132 HA LEU 22 HA LEU 22 188.311 -4.032 0.572 133 HB2 LEU 22 HB2 LEU 22 187.381 -3.743 -1.545 134 HB3 LEU 22 HB3 LEU 22 186.151 -4.962 -1.282 135 HG LEU 22 HG LEU 22 184.871 -3.483 0.111 136 HD11 LEU 22 HD11 LEU 22 187.385 -2.144 0.441 137 HD12 LEU 22 HD12 LEU 22 185.889 -1.960 1.357 138 HD13 LEU 22 HD13 LEU 22 186.157 -0.996 -0.096 139 HD21 LEU 22 HD21 LEU 22 184.217 -3.055 -2.039 140 HD22 LEU 22 HD22 LEU 22 185.808 -2.465 -2.525 141 HD23 LEU 22 HD23 LEU 22 184.750 -1.447 -1.547 142 H ARG 23 H ARG 23 187.358 -3.107 2.315 143 HA ARG 23 HA ARG 23 185.228 -4.630 3.665 144 HB2 ARG 23 HB2 ARG 23 187.830 -4.288 4.595 145 HB3 ARG 23 HB3 ARG 23 186.898 -3.092 5.486 146 HG2 ARG 23 HG2 ARG 23 185.272 -5.145 5.837 147 HG3 ARG 23 HG3 ARG 23 186.761 -6.054 5.564 148 HD2 ARG 23 HD2 ARG 23 187.372 -5.665 7.662 149 HD3 ARG 23 HD3 ARG 23 187.368 -3.932 7.338 150 HE ARG 23 HE ARG 23 184.764 -4.461 7.792 151 HH11 ARG 23 HH11 ARG 23 187.672 -5.204 9.572 152 HH12 ARG 23 HH12 ARG 23 186.887 -5.171 11.114 153 HH21 ARG 23 HH21 ARG 23 183.728 -4.418 9.821 154 HH22 ARG 23 HH22 ARG 23 184.646 -4.724 11.256 155 H VAL 24 H VAL 24 183.429 -3.481 3.877 156 HA VAL 24 HA VAL 24 183.649 -0.552 4.100 157 HB VAL 24 HB VAL 24 181.432 -2.063 2.722 158 HG11 VAL 24 HG11 VAL 24 180.757 0.076 3.753 159 HG12 VAL 24 HG12 VAL 24 180.647 0.104 1.994 160 HG13 VAL 24 HG13 VAL 24 181.996 0.897 2.805 161 HG21 VAL 24 HG21 VAL 24 183.935 -1.724 1.731 162 HG22 VAL 24 HG22 VAL 24 183.134 -0.265 1.149 163 HG23 VAL 24 HG23 VAL 24 182.478 -1.851 0.745 164 H SER 25 H SER 25 182.108 0.524 5.396 165 HA SER 25 HA SER 25 180.198 -1.036 6.920 166 HB2 SER 25 HB2 SER 25 181.934 0.569 8.689 167 HB3 SER 25 HB3 SER 25 181.196 -1.009 8.958 168 HG SER 25 HG SER 25 183.515 -0.451 7.418 169 H ILE 26 H ILE 26 178.560 0.184 7.822 170 HA ILE 26 HA ILE 26 178.714 3.117 7.540 171 HB ILE 26 HB ILE 26 176.252 2.986 6.792 172 HG12 ILE 26 HG12 ILE 26 176.758 0.526 5.323 173 HG13 ILE 26 HG13 ILE 26 176.719 0.261 7.064 174 HG21 ILE 26 HG21 ILE 26 178.046 3.816 5.382 175 HG22 ILE 26 HG22 ILE 26 176.887 2.879 4.441 176 HG23 ILE 26 HG23 ILE 26 178.437 2.167 4.889 177 HD11 ILE 26 HD11 ILE 26 174.522 1.139 7.224 178 HD12 ILE 26 HD12 ILE 26 174.533 -0.014 5.892 179 HD13 ILE 26 HD13 ILE 26 174.565 1.718 5.560 180 HA PRO 27 HA PRO 27 177.019 2.723 11.679 181 HB2 PRO 27 HB2 PRO 27 176.455 5.399 12.013 182 HB3 PRO 27 HB3 PRO 27 178.028 4.662 12.320 183 HG2 PRO 27 HG2 PRO 27 177.106 6.253 9.988 184 HG3 PRO 27 HG3 PRO 27 178.707 6.170 10.734 185 HD2 PRO 27 HD2 PRO 27 178.053 4.918 8.394 186 HD3 PRO 27 HD3 PRO 27 179.324 4.351 9.493 187 H ASP 28 H ASP 28 175.186 1.582 10.983 188 HA ASP 28 HA ASP 28 172.973 2.460 9.636 189 HB2 ASP 28 HB2 ASP 28 173.296 0.129 10.210 190 HB3 ASP 28 HB3 ASP 28 173.128 0.490 11.921 191 H ASP 29 H ASP 29 170.816 2.908 10.378 192 HA ASP 29 HA ASP 29 170.589 4.231 12.967 193 HB2 ASP 29 HB2 ASP 29 171.138 5.933 11.142 194 HB3 ASP 29 HB3 ASP 29 169.566 5.551 10.449 195 H GLY 30 H GLY 30 169.688 1.746 12.244 196 HA2 GLY 30 HA2 GLY 30 167.806 0.495 12.619 197 HA3 GLY 30 HA3 GLY 30 166.914 1.989 12.775 198 H PHE 31 H PHE 31 168.761 0.594 10.074 199 HA PHE 31 HA PHE 31 166.489 1.151 8.323 200 HB2 PHE 31 HB2 PHE 31 169.184 0.084 7.489 201 HB3 PHE 31 HB3 PHE 31 167.976 0.862 6.477 202 HD1 PHE 31 HD1 PHE 31 167.304 3.204 8.190 203 HD2 PHE 31 HD2 PHE 31 171.052 1.432 7.223 204 HE1 PHE 31 HE1 PHE 31 168.417 5.371 8.543 205 HE2 PHE 31 HE2 PHE 31 172.169 3.591 7.575 206 HZ PHE 31 HZ PHE 31 170.854 5.564 8.235 207 H SER 32 H SER 32 166.663 -0.602 6.383 208 HA SER 32 HA SER 32 166.396 -3.262 7.590 209 HB2 SER 32 HB2 SER 32 164.484 -1.821 5.761 210 HB3 SER 32 HB3 SER 32 164.525 -3.583 5.825 211 HG SER 32 HG SER 32 163.784 -3.549 7.849 212 H LEU 33 H LEU 33 167.278 -1.266 4.840 213 HA LEU 33 HA LEU 33 168.787 -3.572 3.822 214 HB2 LEU 33 HB2 LEU 33 166.528 -3.172 2.562 215 HB3 LEU 33 HB3 LEU 33 167.394 -1.832 1.847 216 HG LEU 33 HG LEU 33 169.175 -3.453 1.137 217 HD11 LEU 33 HD11 LEU 33 168.999 -5.679 1.433 218 HD12 LEU 33 HD12 LEU 33 167.240 -5.671 1.311 219 HD13 LEU 33 HD13 LEU 33 168.020 -5.195 2.819 220 HD21 LEU 33 HD21 LEU 33 166.967 -2.621 -0.141 221 HD22 LEU 33 HD22 LEU 33 166.702 -4.366 -0.188 222 HD23 LEU 33 HD23 LEU 33 168.177 -3.678 -0.872 223 H PHE 34 H PHE 34 170.696 -3.104 2.875 224 HA PHE 34 HA PHE 34 171.416 -0.274 2.567 225 HB2 PHE 34 HB2 PHE 34 172.408 -1.145 4.637 226 HB3 PHE 34 HB3 PHE 34 173.151 -2.454 3.732 227 HD1 PHE 34 HD1 PHE 34 172.952 1.267 3.486 228 HD2 PHE 34 HD2 PHE 34 175.383 -2.220 3.313 229 HE1 PHE 34 HE1 PHE 34 174.925 2.669 3.064 230 HE2 PHE 34 HE2 PHE 34 177.363 -0.824 2.889 231 HZ PHE 34 HZ PHE 34 177.135 1.625 2.764 232 H ALA 35 H ALA 35 171.489 -0.100 0.381 233 HA ALA 35 HA ALA 35 172.761 -2.227 -1.176 234 HB1 ALA 35 HB1 ALA 35 170.507 -0.757 -1.653 235 HB2 ALA 35 HB2 ALA 35 171.412 -1.658 -2.869 236 HB3 ALA 35 HB3 ALA 35 171.706 0.068 -2.650 237 H PHE 36 H PHE 36 174.828 -2.059 -1.761 238 HA PHE 36 HA PHE 36 176.039 0.623 -1.794 239 HB2 PHE 36 HB2 PHE 36 176.973 -0.890 -0.091 240 HB3 PHE 36 HB3 PHE 36 177.387 -2.047 -1.351 241 HD1 PHE 36 HD1 PHE 36 177.767 1.652 -1.250 242 HD2 PHE 36 HD2 PHE 36 179.693 -2.136 -1.415 243 HE1 PHE 36 HE1 PHE 36 179.937 2.773 -1.558 244 HE2 PHE 36 HE2 PHE 36 181.866 -1.025 -1.721 245 HZ PHE 36 HZ PHE 36 181.990 1.434 -1.793 246 H HIS 37 H HIS 37 176.636 1.408 -3.680 247 HA HIS 37 HA HIS 37 177.276 -0.427 -5.890 248 HB2 HIS 37 HB2 HIS 37 175.251 1.577 -5.681 249 HB3 HIS 37 HB3 HIS 37 176.445 2.119 -6.841 250 HD1 HIS 37 HD1 HIS 37 174.353 1.779 -8.543 251 HD2 HIS 37 HD2 HIS 37 176.039 -1.664 -6.954 252 HE1 HIS 37 HE1 HIS 37 173.511 -0.100 -9.979 253 HE2 HIS 37 HE2 HIS 37 174.632 -2.164 -9.064 254 H GLY 38 H GLY 38 179.404 -0.166 -6.556 255 HA2 GLY 38 HA2 GLY 38 180.494 2.546 -6.488 256 HA3 GLY 38 HA3 GLY 38 181.279 1.378 -5.445 257 H LYS 39 H LYS 39 181.966 2.974 -7.966 258 HA LYS 39 HA LYS 39 183.217 0.726 -9.391 259 HB2 LYS 39 HB2 LYS 39 181.312 2.315 -10.504 260 HB3 LYS 39 HB3 LYS 39 182.765 3.212 -10.920 261 HG2 LYS 39 HG2 LYS 39 182.699 0.285 -11.440 262 HG3 LYS 39 HG3 LYS 39 181.805 1.365 -12.512 263 HD2 LYS 39 HD2 LYS 39 183.683 2.252 -13.403 264 HD3 LYS 39 HD3 LYS 39 184.566 2.184 -11.876 265 HE2 LYS 39 HE2 LYS 39 185.447 0.170 -12.338 266 HE3 LYS 39 HE3 LYS 39 183.944 -0.437 -13.032 267 HZ1 LYS 39 HZ1 LYS 39 185.438 -0.368 -14.802 268 HZ2 LYS 39 HZ2 LYS 39 186.069 1.135 -14.353 269 HZ3 LYS 39 HZ3 LYS 39 184.513 1.035 -15.006 270 H LEU 40 H LEU 40 185.371 0.822 -9.438 271 HA LEU 40 HA LEU 40 186.667 3.203 -8.386 272 HB2 LEU 40 HB2 LEU 40 188.605 1.871 -8.089 273 HB3 LEU 40 HB3 LEU 40 187.235 0.909 -7.574 274 HG LEU 40 HG LEU 40 188.118 0.540 -10.379 275 HD11 LEU 40 HD11 LEU 40 189.738 -1.238 -9.173 276 HD12 LEU 40 HD12 LEU 40 189.864 0.114 -8.048 277 HD13 LEU 40 HD13 LEU 40 190.270 0.342 -9.749 278 HD21 LEU 40 HD21 LEU 40 186.794 -0.970 -8.219 279 HD22 LEU 40 HD22 LEU 40 187.835 -1.903 -9.293 280 HD23 LEU 40 HD23 LEU 40 186.494 -0.970 -9.957 281 H ASN 41 H ASN 41 188.097 4.482 -9.474 282 HA ASN 41 HA ASN 41 189.092 5.521 -11.233 283 HB2 ASN 41 HB2 ASN 41 189.795 2.859 -11.483 284 HB3 ASN 41 HB3 ASN 41 189.155 3.250 -13.076 285 HD21 ASN 41 HD21 ASN 41 191.404 2.812 -13.685 286 HD22 ASN 41 HD22 ASN 41 192.545 4.106 -13.602 287 H GLU 42 H GLU 42 186.337 5.718 -11.070 288 HA GLU 42 HA GLU 42 185.652 6.714 -13.567 289 HB2 GLU 42 HB2 GLU 42 185.524 4.345 -14.246 290 HB3 GLU 42 HB3 GLU 42 184.334 4.059 -12.980 291 HG2 GLU 42 HG2 GLU 42 182.801 5.608 -14.043 292 HG3 GLU 42 HG3 GLU 42 183.996 5.956 -15.291 293 H GLU 43 H GLU 43 184.618 8.368 -12.784 294 HA GLU 43 HA GLU 43 183.225 8.495 -10.373 295 HB2 GLU 43 HB2 GLU 43 182.761 10.292 -12.751 296 HB3 GLU 43 HB3 GLU 43 182.488 10.674 -11.055 297 HG2 GLU 43 HG2 GLU 43 184.846 10.603 -10.613 298 HG3 GLU 43 HG3 GLU 43 185.166 10.076 -12.256 299 H MET 44 H MET 44 180.855 9.717 -10.792 300 HA MET 44 HA MET 44 179.084 8.353 -12.531 301 HB2 MET 44 HB2 MET 44 177.873 7.450 -10.235 302 HB3 MET 44 HB3 MET 44 178.803 6.457 -11.348 303 HG2 MET 44 HG2 MET 44 180.591 6.312 -9.952 304 HG3 MET 44 HG3 MET 44 180.281 7.879 -9.209 305 HE1 MET 44 HE1 MET 44 178.128 4.617 -9.746 306 HE2 MET 44 HE2 MET 44 178.146 3.933 -8.121 307 HE3 MET 44 HE3 MET 44 179.639 4.023 -9.058 308 H ASP 45 H ASP 45 177.055 9.307 -12.561 309 HA ASP 45 HA ASP 45 176.557 11.401 -10.557 310 HB2 ASP 45 HB2 ASP 45 177.504 12.303 -12.740 311 HB3 ASP 45 HB3 ASP 45 176.002 11.784 -13.499 312 H GLY 46 H GLY 46 175.399 8.966 -10.333 313 HA2 GLY 46 HA2 GLY 46 172.710 9.473 -10.116 314 HA3 GLY 46 HA3 GLY 46 172.946 8.704 -11.678 315 H LEU 47 H LEU 47 172.357 6.645 -11.518 316 HA LEU 47 HA LEU 47 173.343 5.111 -9.232 317 HB2 LEU 47 HB2 LEU 47 170.758 4.771 -10.735 318 HB3 LEU 47 HB3 LEU 47 171.295 3.834 -9.364 319 HG LEU 47 HG LEU 47 170.932 6.804 -9.198 320 HD11 LEU 47 HD11 LEU 47 168.743 6.388 -9.579 321 HD12 LEU 47 HD12 LEU 47 168.767 5.844 -7.902 322 HD13 LEU 47 HD13 LEU 47 168.892 4.670 -9.211 323 HD21 LEU 47 HD21 LEU 47 172.269 5.373 -7.514 324 HD22 LEU 47 HD22 LEU 47 170.684 4.814 -6.972 325 HD23 LEU 47 HD23 LEU 47 171.086 6.532 -6.903 326 H GLU 48 H GLU 48 175.144 4.975 -10.918 327 HA GLU 48 HA GLU 48 174.692 3.203 -13.143 328 HB2 GLU 48 HB2 GLU 48 177.009 4.698 -12.025 329 HB3 GLU 48 HB3 GLU 48 177.359 3.285 -13.012 330 HG2 GLU 48 HG2 GLU 48 177.386 4.999 -14.549 331 HG3 GLU 48 HG3 GLU 48 175.752 4.359 -14.717 332 H ALA 49 H ALA 49 175.362 1.084 -13.357 333 HA ALA 49 HA ALA 49 175.125 -0.605 -11.203 334 HB1 ALA 49 HB1 ALA 49 176.373 -2.267 -12.736 335 HB2 ALA 49 HB2 ALA 49 176.323 -0.958 -13.916 336 HB3 ALA 49 HB3 ALA 49 174.823 -1.614 -13.262 337 H GLY 50 H GLY 50 177.910 1.152 -12.266 338 HA2 GLY 50 HA2 GLY 50 180.098 1.189 -11.565 339 HA3 GLY 50 HA3 GLY 50 179.384 0.945 -9.978 340 H HIS 51 H HIS 51 180.562 -0.536 -8.976 341 HA HIS 51 HA HIS 51 181.072 -3.064 -10.373 342 HB2 HIS 51 HB2 HIS 51 183.003 -1.232 -9.282 343 HB3 HIS 51 HB3 HIS 51 183.080 -2.760 -8.412 344 HD1 HIS 51 HD1 HIS 51 184.664 -1.195 -11.097 345 HD2 HIS 51 HD2 HIS 51 183.040 -4.985 -10.580 346 HE1 HIS 51 HE1 HIS 51 185.756 -2.638 -12.844 347 HE2 HIS 51 HE2 HIS 51 184.825 -4.946 -12.451 348 H TRP 52 H TRP 52 181.718 -1.977 -7.060 349 HA TRP 52 HA TRP 52 180.755 -4.350 -5.894 350 HB2 TRP 52 HB2 TRP 52 181.243 -1.602 -4.734 351 HB3 TRP 52 HB3 TRP 52 180.783 -2.994 -3.760 352 HD1 TRP 52 HD1 TRP 52 182.599 -4.965 -3.498 353 HE1 TRP 52 HE1 TRP 52 185.157 -4.961 -3.761 354 HE3 TRP 52 HE3 TRP 52 183.146 -0.568 -6.046 355 HZ2 TRP 52 HZ2 TRP 52 187.149 -3.310 -4.897 356 HZ3 TRP 52 HZ3 TRP 52 185.410 0.152 -6.686 357 HH2 TRP 52 HH2 TRP 52 187.369 -1.193 -6.121 358 H ALA 53 H ALA 53 178.717 -4.853 -6.565 359 HA ALA 53 HA ALA 53 176.558 -3.021 -5.750 360 HB1 ALA 53 HB1 ALA 53 176.150 -5.095 -7.859 361 HB2 ALA 53 HB2 ALA 53 176.942 -3.575 -8.269 362 HB3 ALA 53 HB3 ALA 53 175.307 -3.567 -7.610 363 H ARG 54 H ARG 54 176.404 -3.947 -3.661 364 HA ARG 54 HA ARG 54 175.105 -6.574 -3.665 365 HB2 ARG 54 HB2 ARG 54 177.445 -6.881 -3.059 366 HB3 ARG 54 HB3 ARG 54 177.288 -5.692 -1.781 367 HG2 ARG 54 HG2 ARG 54 177.067 -7.609 -0.568 368 HG3 ARG 54 HG3 ARG 54 175.373 -7.312 -0.970 369 HD2 ARG 54 HD2 ARG 54 177.214 -9.086 -2.568 370 HD3 ARG 54 HD3 ARG 54 176.116 -9.670 -1.317 371 HE ARG 54 HE ARG 54 174.462 -8.316 -2.947 372 HH11 ARG 54 HH11 ARG 54 176.884 -10.751 -3.572 373 HH12 ARG 54 HH12 ARG 54 176.067 -11.382 -4.962 374 HH21 ARG 54 HH21 ARG 54 173.389 -9.145 -4.774 375 HH22 ARG 54 HH22 ARG 54 174.083 -10.471 -5.644 376 H ASP 55 H ASP 55 173.264 -6.613 -2.571 377 HA ASP 55 HA ASP 55 172.582 -4.356 -0.834 378 HB2 ASP 55 HB2 ASP 55 170.246 -5.434 -1.054 379 HB3 ASP 55 HB3 ASP 55 170.907 -4.595 -2.450 380 H ILE 56 H ILE 56 173.145 -4.743 1.230 381 HA ILE 56 HA ILE 56 173.003 -7.439 2.307 382 HB ILE 56 HB ILE 56 173.794 -4.952 3.812 383 HG12 ILE 56 HG12 ILE 56 176.159 -6.118 3.177 384 HG13 ILE 56 HG13 ILE 56 175.238 -6.467 1.717 385 HG21 ILE 56 HG21 ILE 56 173.813 -7.844 4.327 386 HG22 ILE 56 HG22 ILE 56 173.757 -6.488 5.453 387 HG23 ILE 56 HG23 ILE 56 175.298 -6.998 4.765 388 HD11 ILE 56 HD11 ILE 56 175.921 -4.461 1.041 389 HD12 ILE 56 HD12 ILE 56 176.359 -3.957 2.674 390 HD13 ILE 56 HD13 ILE 56 174.688 -3.826 2.128 391 H THR 57 H THR 57 171.647 -8.130 3.909 392 HA THR 57 HA THR 57 169.577 -6.250 4.830 393 HB THR 57 HB THR 57 168.534 -7.579 3.122 394 HG1 THR 57 HG1 THR 57 166.866 -7.994 4.321 395 HG21 THR 57 HG21 THR 57 169.179 -10.112 4.571 396 HG22 THR 57 HG22 THR 57 170.238 -9.480 3.312 397 HG23 THR 57 HG23 THR 57 168.565 -9.888 2.933 398 H LYS 58 H LYS 58 172.046 -7.257 6.087 399 HA LYS 58 HA LYS 58 170.847 -8.128 8.584 400 HB2 LYS 58 HB2 LYS 58 171.755 -10.098 6.985 401 HB3 LYS 58 HB3 LYS 58 173.249 -9.685 7.815 402 HG2 LYS 58 HG2 LYS 58 171.826 -9.893 9.966 403 HG3 LYS 58 HG3 LYS 58 170.709 -10.788 8.934 404 HD2 LYS 58 HD2 LYS 58 173.570 -11.541 8.791 405 HD3 LYS 58 HD3 LYS 58 172.706 -11.960 10.272 406 HE2 LYS 58 HE2 LYS 58 171.562 -12.601 7.576 407 HE3 LYS 58 HE3 LYS 58 172.747 -13.663 8.335 408 HZ1 LYS 58 HZ1 LYS 58 170.016 -13.004 9.236 409 HZ2 LYS 58 HZ2 LYS 58 171.169 -13.573 10.334 410 HZ3 LYS 58 HZ3 LYS 58 170.721 -14.525 9.009 411 HA PRO 59 HA PRO 59 174.002 -4.805 9.164 412 HB2 PRO 59 HB2 PRO 59 172.497 -4.734 11.729 413 HB3 PRO 59 HB3 PRO 59 173.000 -3.400 10.685 414 HG2 PRO 59 HG2 PRO 59 170.458 -4.199 10.749 415 HG3 PRO 59 HG3 PRO 59 171.220 -3.707 9.227 416 HD2 PRO 59 HD2 PRO 59 170.590 -6.447 10.232 417 HD3 PRO 59 HD3 PRO 59 170.518 -5.807 8.576 418 H LYS 60 H LYS 60 175.495 -4.424 10.994 419 HA LYS 60 HA LYS 60 176.243 -6.975 12.267 420 HB2 LYS 60 HB2 LYS 60 177.830 -5.744 10.615 421 HB3 LYS 60 HB3 LYS 60 178.101 -4.633 11.951 422 HG2 LYS 60 HG2 LYS 60 179.847 -6.203 12.044 423 HG3 LYS 60 HG3 LYS 60 178.729 -6.647 13.336 424 HD2 LYS 60 HD2 LYS 60 177.998 -7.971 10.890 425 HD3 LYS 60 HD3 LYS 60 179.694 -8.279 11.265 426 HE2 LYS 60 HE2 LYS 60 178.791 -9.947 12.504 427 HE3 LYS 60 HE3 LYS 60 178.648 -8.654 13.695 428 HZ1 LYS 60 HZ1 LYS 60 176.616 -10.190 12.949 429 HZ2 LYS 60 HZ2 LYS 60 176.428 -8.925 11.841 430 HZ3 LYS 60 HZ3 LYS 60 176.421 -8.602 13.502 431 H GLU 61 H GLU 61 174.260 -5.129 13.238 432 HA GLU 61 HA GLU 61 173.546 -4.478 15.276 433 HB2 GLU 61 HB2 GLU 61 174.580 -5.285 17.099 434 HB3 GLU 61 HB3 GLU 61 175.735 -5.984 15.979 435 HG2 GLU 61 HG2 GLU 61 177.185 -4.033 16.266 436 HG3 GLU 61 HG3 GLU 61 176.022 -3.343 17.397 437 H GLY 62 H GLY 62 172.987 -2.526 14.563 438 HA2 GLY 62 HA2 GLY 62 172.976 -0.228 14.601 439 HA3 GLY 62 HA3 GLY 62 174.425 -0.288 15.593 440 H ARG 63 H ARG 63 175.282 -2.140 13.087 441 HA ARG 63 HA ARG 63 175.740 -0.094 11.117 442 HB2 ARG 63 HB2 ARG 63 178.257 -0.379 11.233 443 HB3 ARG 63 HB3 ARG 63 177.519 0.579 12.511 444 HG2 ARG 63 HG2 ARG 63 177.909 -1.010 14.119 445 HG3 ARG 63 HG3 ARG 63 177.957 -2.334 12.953 446 HD2 ARG 63 HD2 ARG 63 180.092 -1.298 12.072 447 HD3 ARG 63 HD3 ARG 63 180.067 -0.260 13.497 448 HE ARG 63 HE ARG 63 179.826 -2.825 14.451 449 HH11 ARG 63 HH11 ARG 63 182.153 -1.073 12.531 450 HH12 ARG 63 HH12 ARG 63 183.500 -2.014 13.078 451 HH21 ARG 63 HH21 ARG 63 181.596 -4.064 15.173 452 HH22 ARG 63 HH22 ARG 63 183.185 -3.713 14.577 453 H TRP 64 H TRP 64 176.021 -0.928 9.112 454 HA TRP 64 HA TRP 64 175.986 -3.812 8.879 455 HB2 TRP 64 HB2 TRP 64 176.031 -1.814 6.626 456 HB3 TRP 64 HB3 TRP 64 175.488 -3.473 6.582 457 HD1 TRP 64 HD1 TRP 64 174.411 -0.306 8.564 458 HE1 TRP 64 HE1 TRP 64 171.845 -0.244 8.601 459 HE3 TRP 64 HE3 TRP 64 173.448 -4.606 5.965 460 HZ2 TRP 64 HZ2 TRP 64 169.692 -1.794 7.650 461 HZ3 TRP 64 HZ3 TRP 64 171.103 -5.244 5.577 462 HH2 TRP 64 HH2 TRP 64 169.260 -3.864 6.408 463 H THR 65 H THR 65 177.488 -4.954 7.542 464 HA THR 65 HA THR 65 180.063 -3.604 7.136 465 HB THR 65 HB THR 65 179.949 -6.403 8.222 466 HG1 THR 65 HG1 THR 65 179.884 -3.974 9.668 467 HG21 THR 65 HG21 THR 65 182.074 -5.427 7.266 468 HG22 THR 65 HG22 THR 65 182.162 -6.060 8.909 469 HG23 THR 65 HG23 THR 65 182.063 -4.320 8.640 470 H PHE 66 H PHE 66 180.064 -3.600 4.948 471 HA PHE 66 HA PHE 66 179.468 -6.089 3.528 472 HB2 PHE 66 HB2 PHE 66 178.387 -4.143 2.599 473 HB3 PHE 66 HB3 PHE 66 179.910 -3.263 2.543 474 HD1 PHE 66 HD1 PHE 66 178.623 -6.556 1.336 475 HD2 PHE 66 HD2 PHE 66 180.790 -3.003 0.449 476 HE1 PHE 66 HE1 PHE 66 178.999 -7.363 -0.957 477 HE2 PHE 66 HE2 PHE 66 181.172 -3.804 -1.846 478 HZ PHE 66 HZ PHE 66 180.276 -5.987 -2.552 479 H ARG 67 H ARG 67 180.984 -7.158 2.272 480 HA ARG 67 HA ARG 67 183.701 -6.099 2.177 481 HB2 ARG 67 HB2 ARG 67 182.945 -8.728 3.452 482 HB3 ARG 67 HB3 ARG 67 184.583 -8.344 2.940 483 HG2 ARG 67 HG2 ARG 67 184.679 -6.496 4.489 484 HG3 ARG 67 HG3 ARG 67 182.994 -6.756 4.946 485 HD2 ARG 67 HD2 ARG 67 184.944 -8.998 5.213 486 HD3 ARG 67 HD3 ARG 67 184.949 -7.708 6.415 487 HE ARG 67 HE ARG 67 182.348 -8.399 6.301 488 HH11 ARG 67 HH11 ARG 67 185.267 -10.270 6.702 489 HH12 ARG 67 HH12 ARG 67 184.498 -11.498 7.650 490 HH21 ARG 67 HH21 ARG 67 181.336 -10.013 7.549 491 HH22 ARG 67 HH22 ARG 67 182.267 -11.352 8.131 492 H ASP 68 H ASP 68 184.945 -6.865 0.505 493 HA ASP 68 HA ASP 68 183.780 -8.891 -1.264 494 HB2 ASP 68 HB2 ASP 68 183.165 -6.569 -2.056 495 HB3 ASP 68 HB3 ASP 68 184.885 -6.276 -2.305 496 H ARG 69 H ARG 69 185.319 -10.410 -0.944 497 HA ARG 69 HA ARG 69 188.133 -9.691 -0.968 498 HB2 ARG 69 HB2 ARG 69 186.987 -12.469 -0.760 499 HB3 ARG 69 HB3 ARG 69 188.567 -11.906 -0.232 500 HG2 ARG 69 HG2 ARG 69 186.830 -10.315 1.190 501 HG3 ARG 69 HG3 ARG 69 186.014 -11.879 1.155 502 HD2 ARG 69 HD2 ARG 69 188.428 -12.756 1.770 503 HD3 ARG 69 HD3 ARG 69 188.614 -11.114 2.384 504 HE ARG 69 HE ARG 69 186.218 -12.425 3.283 505 HH11 ARG 69 HH11 ARG 69 189.616 -11.922 3.908 506 HH12 ARG 69 HH12 ARG 69 189.485 -12.280 5.597 507 HH21 ARG 69 HH21 ARG 69 186.047 -12.898 5.504 508 HH22 ARG 69 HH22 ARG 69 187.459 -12.834 6.502 509 H ASN 70 H ASN 70 186.371 -9.584 -3.432 510 HA ASN 70 HA ASN 70 188.204 -11.077 -5.161 511 HB2 ASN 70 HB2 ASN 70 185.409 -11.674 -4.782 512 HB3 ASN 70 HB3 ASN 70 185.694 -11.175 -6.445 513 HD21 ASN 70 HD21 ASN 70 185.234 -13.272 -7.157 514 HD22 ASN 70 HD22 ASN 70 186.375 -14.557 -6.984 515 H ALA 71 H ALA 71 188.038 -8.280 -4.443 516 HA ALA 71 HA ALA 71 187.135 -7.055 -6.955 517 HB1 ALA 71 HB1 ALA 71 186.862 -5.048 -5.835 518 HB2 ALA 71 HB2 ALA 71 187.994 -5.490 -4.556 519 HB3 ALA 71 HB3 ALA 71 186.395 -6.234 -4.615 520 H LYS 72 H LYS 72 188.558 -6.293 -8.390 521 HA LYS 72 HA LYS 72 191.378 -6.634 -7.891 522 HB2 LYS 72 HB2 LYS 72 190.396 -7.228 -10.068 523 HB3 LYS 72 HB3 LYS 72 189.938 -5.549 -10.319 524 HG2 LYS 72 HG2 LYS 72 192.496 -5.116 -9.981 525 HG3 LYS 72 HG3 LYS 72 192.629 -6.820 -10.423 526 HD2 LYS 72 HD2 LYS 72 192.692 -5.999 -12.525 527 HD3 LYS 72 HD3 LYS 72 190.937 -5.950 -12.339 528 HE2 LYS 72 HE2 LYS 72 192.164 -3.581 -11.237 529 HE3 LYS 72 HE3 LYS 72 192.643 -3.815 -12.917 530 HZ1 LYS 72 HZ1 LYS 72 190.176 -4.158 -13.347 531 HZ2 LYS 72 HZ2 LYS 72 190.688 -2.578 -13.022 532 HZ3 LYS 72 HZ3 LYS 72 189.922 -3.483 -11.815 533 H LEU 73 H LEU 73 191.681 -5.067 -6.223 534 HA LEU 73 HA LEU 73 191.476 -2.266 -7.074 535 HB2 LEU 73 HB2 LEU 73 192.093 -3.294 -4.310 536 HB3 LEU 73 HB3 LEU 73 191.629 -1.665 -4.763 537 HG LEU 73 HG LEU 73 189.551 -3.396 -5.624 538 HD11 LEU 73 HD11 LEU 73 190.579 -3.972 -2.865 539 HD12 LEU 73 HD12 LEU 73 190.148 -5.108 -4.143 540 HD13 LEU 73 HD13 LEU 73 188.886 -4.208 -3.302 541 HD21 LEU 73 HD21 LEU 73 188.315 -2.115 -3.792 542 HD22 LEU 73 HD22 LEU 73 189.057 -1.170 -5.084 543 HD23 LEU 73 HD23 LEU 73 189.846 -1.284 -3.510 544 H LYS 74 H LYS 74 193.241 -1.269 -7.764 545 HA LYS 74 HA LYS 74 195.863 -2.355 -6.985 546 HB2 LYS 74 HB2 LYS 74 194.883 -1.027 -9.488 547 HB3 LYS 74 HB3 LYS 74 196.591 -0.970 -9.076 548 HG2 LYS 74 HG2 LYS 74 196.863 -2.971 -9.973 549 HG3 LYS 74 HG3 LYS 74 195.756 -3.649 -8.779 550 HD2 LYS 74 HD2 LYS 74 193.895 -3.385 -10.206 551 HD3 LYS 74 HD3 LYS 74 194.784 -2.316 -11.293 552 HE2 LYS 74 HE2 LYS 74 196.211 -4.756 -11.147 553 HE3 LYS 74 HE3 LYS 74 194.512 -5.155 -11.391 554 HZ1 LYS 74 HZ1 LYS 74 196.198 -4.532 -13.363 555 HZ2 LYS 74 HZ2 LYS 74 195.532 -3.008 -13.050 556 HZ3 LYS 74 HZ3 LYS 74 194.524 -4.305 -13.454 557 H LEU 75 H LEU 75 197.499 -0.976 -6.324 558 HA LEU 75 HA LEU 75 196.759 1.242 -4.793 559 HB2 LEU 75 HB2 LEU 75 198.987 -0.290 -4.997 560 HB3 LEU 75 HB3 LEU 75 199.541 1.172 -5.789 561 HG LEU 75 HG LEU 75 198.201 1.511 -3.165 562 HD11 LEU 75 HD11 LEU 75 200.666 -0.069 -3.571 563 HD12 LEU 75 HD12 LEU 75 199.467 -0.143 -2.280 564 HD13 LEU 75 HD13 LEU 75 200.687 1.130 -2.279 565 HD21 LEU 75 HD21 LEU 75 199.593 3.363 -2.981 566 HD22 LEU 75 HD22 LEU 75 199.244 3.298 -4.708 567 HD23 LEU 75 HD23 LEU 75 200.786 2.701 -4.097 568 H GLY 76 H GLY 76 196.574 3.362 -5.189 569 HA2 GLY 76 HA2 GLY 76 197.174 5.374 -6.343 570 HA3 GLY 76 HA3 GLY 76 197.543 4.405 -7.762 571 H ASP 77 H ASP 77 195.070 2.824 -7.431 572 HA ASP 77 HA ASP 77 193.407 4.297 -9.107 573 HB2 ASP 77 HB2 ASP 77 193.504 1.768 -8.805 574 HB3 ASP 77 HB3 ASP 77 192.488 2.003 -7.386 575 H LYS 78 H LYS 78 191.121 4.854 -8.663 576 HA LYS 78 HA LYS 78 190.781 5.930 -5.936 577 HB2 LYS 78 HB2 LYS 78 191.263 7.654 -7.723 578 HB3 LYS 78 HB3 LYS 78 189.733 7.209 -8.467 579 HG2 LYS 78 HG2 LYS 78 189.345 9.151 -7.176 580 HG3 LYS 78 HG3 LYS 78 188.615 7.802 -6.305 581 HD2 LYS 78 HD2 LYS 78 189.713 8.789 -4.571 582 HD3 LYS 78 HD3 LYS 78 191.014 7.751 -5.159 583 HE2 LYS 78 HE2 LYS 78 192.195 9.494 -6.036 584 HE3 LYS 78 HE3 LYS 78 190.752 10.452 -6.360 585 HZ1 LYS 78 HZ1 LYS 78 191.356 9.969 -3.559 586 HZ2 LYS 78 HZ2 LYS 78 190.799 11.373 -4.321 587 HZ3 LYS 78 HZ3 LYS 78 192.441 10.975 -4.380 588 H ILE 79 H ILE 79 188.573 6.146 -5.222 589 HA ILE 79 HA ILE 79 186.807 4.180 -6.510 590 HB ILE 79 HB ILE 79 187.512 4.594 -3.693 591 HG12 ILE 79 HG12 ILE 79 186.656 2.152 -3.726 592 HG13 ILE 79 HG13 ILE 79 186.555 2.364 -5.469 593 HG21 ILE 79 HG21 ILE 79 185.250 3.681 -2.971 594 HG22 ILE 79 HG22 ILE 79 184.644 4.253 -4.522 595 HG23 ILE 79 HG23 ILE 79 185.325 5.397 -3.366 596 HD11 ILE 79 HD11 ILE 79 189.067 2.826 -3.889 597 HD12 ILE 79 HD12 ILE 79 188.893 2.726 -5.640 598 HD13 ILE 79 HD13 ILE 79 188.649 1.290 -4.647 599 H TYR 80 H TYR 80 184.643 4.560 -6.730 600 HA TYR 80 HA TYR 80 183.539 7.137 -5.928 601 HB2 TYR 80 HB2 TYR 80 184.004 6.275 -8.751 602 HB3 TYR 80 HB3 TYR 80 182.510 7.133 -8.386 603 HD1 TYR 80 HD1 TYR 80 186.187 7.384 -8.406 604 HD2 TYR 80 HD2 TYR 80 182.519 9.474 -7.891 605 HE1 TYR 80 HE1 TYR 80 187.397 9.521 -8.518 606 HE2 TYR 80 HE2 TYR 80 183.718 11.619 -8.002 607 HH TYR 80 HH TYR 80 186.061 12.442 -7.578 608 H PHE 81 H PHE 81 181.615 6.678 -4.958 609 HA PHE 81 HA PHE 81 179.909 4.638 -6.146 610 HB2 PHE 81 HB2 PHE 81 179.652 3.527 -3.877 611 HB3 PHE 81 HB3 PHE 81 181.151 3.227 -4.726 612 HD1 PHE 81 HD1 PHE 81 179.790 5.772 -2.360 613 HD2 PHE 81 HD2 PHE 81 183.038 3.224 -3.403 614 HE1 PHE 81 HE1 PHE 81 181.022 6.541 -0.379 615 HE2 PHE 81 HE2 PHE 81 184.272 3.991 -1.416 616 HZ PHE 81 HZ PHE 81 183.266 5.652 0.095 617 H TRP 82 H TRP 82 178.080 4.188 -4.479 618 HA TRP 82 HA TRP 82 177.124 6.504 -3.047 619 HB2 TRP 82 HB2 TRP 82 175.023 6.716 -4.263 620 HB3 TRP 82 HB3 TRP 82 176.370 6.991 -5.357 621 HD1 TRP 82 HD1 TRP 82 176.837 5.095 -7.218 622 HE1 TRP 82 HE1 TRP 82 175.275 3.354 -8.279 623 HE3 TRP 82 HE3 TRP 82 173.070 5.183 -3.769 624 HZ2 TRP 82 HZ2 TRP 82 172.769 2.163 -7.725 625 HZ3 TRP 82 HZ3 TRP 82 171.125 3.715 -4.108 626 HH2 TRP 82 HH2 TRP 82 170.980 2.238 -6.044 627 H THR 83 H THR 83 176.164 5.759 -1.240 628 HA THR 83 HA THR 83 175.465 2.903 -1.196 629 HB THR 83 HB THR 83 175.467 3.177 1.278 630 HG1 THR 83 HG1 THR 83 175.805 5.063 2.162 631 HG21 THR 83 HG21 THR 83 178.054 4.042 1.198 632 HG22 THR 83 HG22 THR 83 177.802 3.433 -0.436 633 HG23 THR 83 HG23 THR 83 177.515 2.382 0.951 634 H TYR 84 H TYR 84 173.506 2.165 -0.353 635 HA TYR 84 HA TYR 84 171.398 4.209 -0.142 636 HB2 TYR 84 HB2 TYR 84 171.424 2.942 -2.329 637 HB3 TYR 84 HB3 TYR 84 171.066 1.488 -1.406 638 HD1 TYR 84 HD1 TYR 84 169.710 4.930 -0.990 639 HD2 TYR 84 HD2 TYR 84 168.909 0.896 -2.070 640 HE1 TYR 84 HE1 TYR 84 167.311 5.452 -1.130 641 HE2 TYR 84 HE2 TYR 84 166.508 1.405 -2.217 642 HH TYR 84 HH TYR 84 165.150 3.762 -2.685 643 H VAL 85 H VAL 85 169.538 3.572 1.110 644 HA VAL 85 HA VAL 85 169.856 1.242 2.826 645 HB VAL 85 HB VAL 85 170.559 2.379 4.613 646 HG11 VAL 85 HG11 VAL 85 169.986 4.967 3.179 647 HG12 VAL 85 HG12 VAL 85 171.494 4.056 3.090 648 HG13 VAL 85 HG13 VAL 85 170.981 4.766 4.622 649 HG21 VAL 85 HG21 VAL 85 168.259 2.428 5.311 650 HG22 VAL 85 HG22 VAL 85 167.963 3.897 4.380 651 HG23 VAL 85 HG23 VAL 85 169.031 3.942 5.780 652 H ILE 86 H ILE 86 167.866 0.860 4.145 653 HA ILE 86 HA ILE 86 165.453 2.102 3.027 654 HB ILE 86 HB ILE 86 165.710 -0.883 3.364 655 HG12 ILE 86 HG12 ILE 86 167.108 0.005 1.510 656 HG13 ILE 86 HG13 ILE 86 165.816 -1.065 0.975 657 HG21 ILE 86 HG21 ILE 86 163.557 -1.031 2.391 658 HG22 ILE 86 HG22 ILE 86 163.565 0.674 1.943 659 HG23 ILE 86 HG23 ILE 86 163.455 0.208 3.641 660 HD11 ILE 86 HD11 ILE 86 164.680 1.440 0.862 661 HD12 ILE 86 HD12 ILE 86 165.300 0.496 -0.492 662 HD13 ILE 86 HD13 ILE 86 166.331 1.688 0.299 663 H LYS 87 H LYS 87 164.649 3.038 4.792 664 HA LYS 87 HA LYS 87 164.597 1.526 7.308 665 HB2 LYS 87 HB2 LYS 87 165.625 3.835 7.247 666 HB3 LYS 87 HB3 LYS 87 164.015 4.465 6.929 667 HG2 LYS 87 HG2 LYS 87 163.262 3.993 9.048 668 HG3 LYS 87 HG3 LYS 87 164.452 2.716 9.302 669 HD2 LYS 87 HD2 LYS 87 166.020 4.155 10.048 670 HD3 LYS 87 HD3 LYS 87 165.572 5.403 8.885 671 HE2 LYS 87 HE2 LYS 87 164.218 6.435 10.340 672 HE3 LYS 87 HE3 LYS 87 163.535 4.917 10.920 673 HZ1 LYS 87 HZ1 LYS 87 165.966 4.793 11.982 674 HZ2 LYS 87 HZ2 LYS 87 164.644 5.488 12.777 675 HZ3 LYS 87 HZ3 LYS 87 165.756 6.472 11.966 676 H ASP 88 H ASP 88 162.829 0.357 5.933 677 HA ASP 88 HA ASP 88 160.640 -0.278 5.911 678 HB2 ASP 88 HB2 ASP 88 160.799 0.976 8.275 679 HB3 ASP 88 HB3 ASP 88 159.689 2.076 7.461 680 H GLY 89 H GLY 89 161.167 0.605 3.640 681 HA2 GLY 89 HA2 GLY 89 160.243 1.526 1.744 682 HA3 GLY 89 HA3 GLY 89 158.865 2.004 2.723 683 H LEU 90 H LEU 90 162.114 2.996 3.509 684 HA LEU 90 HA LEU 90 161.710 5.628 2.304 685 HB2 LEU 90 HB2 LEU 90 162.534 5.468 5.181 686 HB3 LEU 90 HB3 LEU 90 161.917 6.847 4.286 687 HG LEU 90 HG LEU 90 160.242 4.431 4.901 688 HD11 LEU 90 HD11 LEU 90 159.261 6.254 6.583 689 HD12 LEU 90 HD12 LEU 90 160.952 6.753 6.597 690 HD13 LEU 90 HD13 LEU 90 160.514 5.106 7.052 691 HD21 LEU 90 HD21 LEU 90 159.141 7.150 4.493 692 HD22 LEU 90 HD22 LEU 90 158.494 5.579 4.021 693 HD23 LEU 90 HD23 LEU 90 159.791 6.317 3.080 694 H GLY 91 H GLY 91 163.397 4.712 0.979 695 HA2 GLY 91 HA2 GLY 91 165.932 4.215 2.181 696 HA3 GLY 91 HA3 GLY 91 165.575 4.120 0.477 697 H TYR 92 H TYR 92 167.888 5.157 1.539 698 HA TYR 92 HA TYR 92 167.893 7.806 0.357 699 HB2 TYR 92 HB2 TYR 92 168.930 7.404 3.173 700 HB3 TYR 92 HB3 TYR 92 168.950 8.904 2.252 701 HD1 TYR 92 HD1 TYR 92 166.815 10.097 1.799 702 HD2 TYR 92 HD2 TYR 92 166.983 6.695 4.348 703 HE1 TYR 92 HE1 TYR 92 164.618 10.693 2.729 704 HE2 TYR 92 HE2 TYR 92 164.786 7.280 5.284 705 HH TYR 92 HH TYR 92 163.382 9.336 5.543 706 H ARG 93 H ARG 93 170.048 8.404 -0.383 707 HA ARG 93 HA ARG 93 172.035 6.307 0.067 708 HB2 ARG 93 HB2 ARG 93 172.705 6.338 -2.254 709 HB3 ARG 93 HB3 ARG 93 170.987 5.952 -2.122 710 HG2 ARG 93 HG2 ARG 93 171.874 8.765 -2.608 711 HG3 ARG 93 HG3 ARG 93 171.771 7.608 -3.937 712 HD2 ARG 93 HD2 ARG 93 169.527 7.649 -3.954 713 HD3 ARG 93 HD3 ARG 93 169.418 7.643 -2.195 714 HE ARG 93 HE ARG 93 170.253 10.149 -2.728 715 HH11 ARG 93 HH11 ARG 93 167.624 8.220 -3.973 716 HH12 ARG 93 HH12 ARG 93 166.605 9.584 -4.286 717 HH21 ARG 93 HH21 ARG 93 168.913 11.945 -3.140 718 HH22 ARG 93 HH22 ARG 93 167.336 11.699 -3.812 719 H GLN 94 H GLN 94 174.183 6.839 -0.182 720 HA GLN 94 HA GLN 94 174.762 9.705 0.096 721 HB2 GLN 94 HB2 GLN 94 175.403 8.396 2.066 722 HB3 GLN 94 HB3 GLN 94 176.331 7.298 1.054 723 HG2 GLN 94 HG2 GLN 94 177.442 9.693 0.411 724 HG3 GLN 94 HG3 GLN 94 177.025 9.936 2.108 725 HE21 GLN 94 HE21 GLN 94 179.291 8.718 -0.017 726 HE22 GLN 94 HE22 GLN 94 180.225 7.784 1.097 727 H ASP 95 H ASP 95 174.603 9.775 -2.240 728 HA ASP 95 HA ASP 95 176.495 8.331 -3.835 729 HB2 ASP 95 HB2 ASP 95 175.655 9.770 -5.684 730 HB3 ASP 95 HB3 ASP 95 174.374 8.938 -4.811 731 H ASN 96 H ASN 96 177.716 9.784 -5.533 732 HA ASN 96 HA ASN 96 179.497 11.121 -5.952 733 HB2 ASN 96 HB2 ASN 96 177.947 12.938 -5.431 734 HB3 ASN 96 HB3 ASN 96 178.314 12.778 -3.718 735 HD21 ASN 96 HD21 ASN 96 179.562 13.729 -6.840 736 HD22 ASN 96 HD22 ASN 96 180.856 14.705 -6.243 737 H GLY 97 H GLY 97 179.403 9.063 -3.600 738 HA2 GLY 97 HA2 GLY 97 181.398 9.991 -1.769 739 HA3 GLY 97 HA3 GLY 97 180.834 8.336 -1.933 740 H GLU 98 H GLU 98 183.491 8.943 -1.473 741 HA GLU 98 HA GLU 98 184.689 7.699 -3.791 742 HB2 GLU 98 HB2 GLU 98 186.465 9.383 -4.036 743 HB3 GLU 98 HB3 GLU 98 184.875 10.043 -4.397 744 HG2 GLU 98 HG2 GLU 98 186.107 10.344 -1.684 745 HG3 GLU 98 HG3 GLU 98 186.493 11.450 -3.001 746 H TRP 99 H TRP 99 186.850 6.933 -3.421 747 HA TRP 99 HA TRP 99 187.955 7.072 -0.765 748 HB2 TRP 99 HB2 TRP 99 186.313 5.315 -0.419 749 HB3 TRP 99 HB3 TRP 99 186.891 4.456 -1.841 750 HD1 TRP 99 HD1 TRP 99 188.466 5.675 1.507 751 HE1 TRP 99 HE1 TRP 99 190.067 3.831 2.324 752 HE3 TRP 99 HE3 TRP 99 187.892 2.360 -2.323 753 HZ2 TRP 99 HZ2 TRP 99 190.963 1.299 1.444 754 HZ3 TRP 99 HZ3 TRP 99 189.147 0.249 -2.267 755 HH2 TRP 99 HH2 TRP 99 190.647 -0.267 -0.421 756 H THR 100 H THR 100 190.048 5.828 -0.649 757 HA THR 100 HA THR 100 191.388 6.008 -3.257 758 HB THR 100 HB THR 100 192.125 7.435 -1.305 759 HG1 THR 100 HG1 THR 100 193.515 6.928 -3.069 760 HG21 THR 100 HG21 THR 100 193.882 5.594 -0.082 761 HG22 THR 100 HG22 THR 100 192.256 4.920 0.028 762 HG23 THR 100 HG23 THR 100 192.590 6.535 0.660 763 H VAL 101 H VAL 101 193.114 4.543 -3.752 764 HA VAL 101 HA VAL 101 192.806 1.877 -2.523 765 HB VAL 101 HB VAL 101 193.658 2.323 -5.378 766 HG11 VAL 101 HG11 VAL 101 194.340 0.211 -4.606 767 HG12 VAL 101 HG12 VAL 101 192.856 -0.085 -5.511 768 HG13 VAL 101 HG13 VAL 101 192.824 -0.058 -3.747 769 HG21 VAL 101 HG21 VAL 101 191.283 1.476 -5.878 770 HG22 VAL 101 HG22 VAL 101 191.473 3.167 -5.417 771 HG23 VAL 101 HG23 VAL 101 190.902 1.990 -4.234 772 H THR 102 H THR 102 194.853 4.458 -2.907 773 HA THR 102 HA THR 102 197.327 3.224 -3.464 774 HB THR 102 HB THR 102 196.987 5.628 -3.694 775 HG1 THR 102 HG1 THR 102 199.047 5.650 -3.390 776 HG21 THR 102 HG21 THR 102 197.206 6.097 -0.782 777 HG22 THR 102 HG22 THR 102 195.622 5.669 -1.429 778 HG23 THR 102 HG23 THR 102 196.471 7.088 -2.043 779 H GLU 103 H GLU 103 195.362 2.902 -0.762 780 HA GLU 103 HA GLU 103 197.673 2.054 0.855 781 HB2 GLU 103 HB2 GLU 103 195.561 3.920 1.503 782 HB3 GLU 103 HB3 GLU 103 195.567 2.571 2.632 783 HG2 GLU 103 HG2 GLU 103 197.807 3.002 3.272 784 HG3 GLU 103 HG3 GLU 103 198.028 4.156 1.956 785 H PHE 104 H PHE 104 197.558 0.080 1.833 786 HA PHE 104 HA PHE 104 195.050 -1.425 1.522 787 HB2 PHE 104 HB2 PHE 104 197.845 -2.369 0.869 788 HB3 PHE 104 HB3 PHE 104 196.464 -3.448 1.024 789 HD1 PHE 104 HD1 PHE 104 197.870 -0.655 -0.940 790 HD2 PHE 104 HD2 PHE 104 194.918 -3.714 -0.735 791 HE1 PHE 104 HE1 PHE 104 197.316 -0.274 -3.307 792 HE2 PHE 104 HE2 PHE 104 194.360 -3.340 -3.101 793 HZ PHE 104 HZ PHE 104 195.560 -1.619 -4.392 794 H VAL 105 H VAL 105 194.405 -2.493 3.295 795 HA VAL 105 HA VAL 105 196.197 -2.444 5.606 796 HB VAL 105 HB VAL 105 194.245 -2.782 7.004 797 HG11 VAL 105 HG11 VAL 105 194.375 -0.538 6.783 798 HG12 VAL 105 HG12 VAL 105 192.839 -0.755 5.944 799 HG13 VAL 105 HG13 VAL 105 194.332 -0.594 5.020 800 HG21 VAL 105 HG21 VAL 105 193.117 -3.917 4.692 801 HG22 VAL 105 HG22 VAL 105 192.148 -2.485 5.047 802 HG23 VAL 105 HG23 VAL 105 192.364 -3.734 6.276 803 H ASN 106 H ASN 106 196.215 -4.279 7.048 804 HA ASN 106 HA ASN 106 196.642 -6.736 5.616 805 HB2 ASN 106 HB2 ASN 106 197.273 -5.635 8.266 806 HB3 ASN 106 HB3 ASN 106 196.954 -7.366 8.252 807 HD21 ASN 106 HD21 ASN 106 199.417 -5.753 8.662 808 HD22 ASN 106 HD22 ASN 106 200.563 -6.404 7.549 809 H GLU 107 H GLU 107 195.701 -8.756 6.095 810 HA GLU 107 HA GLU 107 192.915 -8.768 6.317 811 HB2 GLU 107 HB2 GLU 107 193.264 -11.240 6.921 812 HB3 GLU 107 HB3 GLU 107 193.886 -10.699 5.367 813 HG2 GLU 107 HG2 GLU 107 195.831 -10.462 7.520 814 HG3 GLU 107 HG3 GLU 107 195.273 -12.114 7.261 815 H ASP 108 H ASP 108 195.369 -8.372 8.628 816 HA ASP 108 HA ASP 108 193.983 -9.342 10.933 817 HB2 ASP 108 HB2 ASP 108 196.408 -7.630 10.476 818 HB3 ASP 108 HB3 ASP 108 195.714 -7.758 12.090 819 H GLY 109 H GLY 109 194.120 -6.312 9.163 820 HA2 GLY 109 HA2 GLY 109 192.059 -4.969 9.334 821 HA3 GLY 109 HA3 GLY 109 192.130 -5.231 11.067 822 H THR 110 H THR 110 195.141 -4.625 9.487 823 HA THR 110 HA THR 110 194.956 -1.776 10.144 824 HB THR 110 HB THR 110 196.901 -1.696 11.403 825 HG1 THR 110 HG1 THR 110 198.287 -2.947 10.224 826 HG21 THR 110 HG21 THR 110 194.906 -3.218 12.371 827 HG22 THR 110 HG22 THR 110 196.361 -2.804 13.277 828 HG23 THR 110 HG23 THR 110 196.245 -4.361 12.455 829 HA PRO 111 HA PRO 111 196.847 -0.810 6.389 830 HB2 PRO 111 HB2 PRO 111 198.823 0.834 7.882 831 HB3 PRO 111 HB3 PRO 111 197.716 1.304 6.588 832 HG2 PRO 111 HG2 PRO 111 197.247 1.993 9.130 833 HG3 PRO 111 HG3 PRO 111 195.925 1.558 8.031 834 HD2 PRO 111 HD2 PRO 111 197.161 -0.041 10.226 835 HD3 PRO 111 HD3 PRO 111 195.480 0.019 9.695 836 H ALA 112 H ALA 112 198.127 -1.999 5.189 837 HA ALA 112 HA ALA 112 200.827 -2.625 6.120 838 HB1 ALA 112 HB1 ALA 112 200.538 -4.837 6.229 839 HB2 ALA 112 HB2 ALA 112 199.639 -4.873 4.712 840 HB3 ALA 112 HB3 ALA 112 198.806 -4.502 6.222 841 H ASP 113 H ASP 113 200.197 -0.672 4.332 842 HA ASP 113 HA ASP 113 200.094 -1.351 1.636 843 HB2 ASP 113 HB2 ASP 113 200.121 0.986 2.968 844 HB3 ASP 113 HB3 ASP 113 201.777 0.978 2.377 845 H THR 114 H THR 114 202.117 -0.516 0.190 846 HA THR 114 HA THR 114 204.123 -2.541 0.597 847 HB THR 114 HB THR 114 203.395 -2.180 -1.653 848 HG1 THR 114 HG1 THR 114 205.389 -1.638 -2.648 849 HG21 THR 114 HG21 THR 114 204.109 0.700 -1.215 850 HG22 THR 114 HG22 THR 114 202.556 0.017 -1.696 851 HG23 THR 114 HG23 THR 114 203.917 -0.012 -2.818 852 H SER 115 H SER 115 204.671 -1.395 2.727 853 HA SER 115 HA SER 115 206.242 -0.329 3.981 854 HB2 SER 115 HB2 SER 115 207.745 -1.393 2.196 855 HB3 SER 115 HB3 SER 115 207.791 0.204 1.448 856 HG SER 115 HG SER 115 209.336 0.582 2.812 857 H LEU 116 H LEU 116 206.211 1.648 4.845 858 HA LEU 116 HA LEU 116 205.517 3.907 3.083 859 HB2 LEU 116 HB2 LEU 116 204.780 3.340 5.948 860 HB3 LEU 116 HB3 LEU 116 204.605 4.931 5.231 861 HG LEU 116 HG LEU 116 203.339 2.687 3.768 862 HD11 LEU 116 HD11 LEU 116 201.726 2.166 5.255 863 HD12 LEU 116 HD12 LEU 116 201.717 3.777 5.974 864 HD13 LEU 116 HD13 LEU 116 202.965 2.617 6.428 865 HD21 LEU 116 HD21 LEU 116 202.013 4.317 2.940 866 HD22 LEU 116 HD22 LEU 116 203.338 5.356 3.464 867 HD23 LEU 116 HD23 LEU 116 201.911 5.168 4.481 868 H GLU 117 H GLU 117 207.976 3.820 2.848 869 HA GLU 117 HA GLU 117 209.075 5.932 4.440 870 HB2 GLU 117 HB2 GLU 117 209.406 3.621 5.675 871 HB3 GLU 117 HB3 GLU 117 210.723 3.442 4.524 872 HG2 GLU 117 HG2 GLU 117 211.482 5.751 5.329 873 HG3 GLU 117 HG3 GLU 117 210.382 5.489 6.681 874 HA PRO 118 HA PRO 118 210.720 6.075 0.208 875 HB2 PRO 118 HB2 PRO 118 211.440 8.692 0.304 876 HB3 PRO 118 HB3 PRO 118 209.785 8.162 -0.011 877 HG2 PRO 118 HG2 PRO 118 211.009 9.121 2.546 878 HG3 PRO 118 HG3 PRO 118 209.430 9.519 1.843 879 HD2 PRO 118 HD2 PRO 118 209.716 7.710 3.832 880 HD3 PRO 118 HD3 PRO 118 208.467 7.556 2.579 Start of MODEL 15 1 H GLN 6 H GLN 6 162.923 10.529 10.454 2 HA GLN 6 HA GLN 6 162.988 9.850 8.084 3 HB2 GLN 6 HB2 GLN 6 163.073 12.839 7.657 4 HB3 GLN 6 HB3 GLN 6 163.068 11.578 6.432 5 HG2 GLN 6 HG2 GLN 6 160.780 12.124 8.308 6 HG3 GLN 6 HG3 GLN 6 160.913 12.784 6.679 7 HE21 GLN 6 HE21 GLN 6 159.051 10.827 8.062 8 HE22 GLN 6 HE22 GLN 6 158.985 9.482 6.981 9 H TYR 7 H TYR 7 164.944 9.032 8.589 10 HA TYR 7 HA TYR 7 167.077 10.751 9.535 11 HB2 TYR 7 HB2 TYR 7 166.748 8.500 10.481 12 HB3 TYR 7 HB3 TYR 7 167.116 7.786 8.922 13 HD1 TYR 7 HD1 TYR 7 168.621 10.222 11.332 14 HD2 TYR 7 HD2 TYR 7 169.257 6.970 8.663 15 HE1 TYR 7 HE1 TYR 7 170.999 10.185 11.953 16 HE2 TYR 7 HE2 TYR 7 171.638 6.925 9.277 17 HH TYR 7 HH TYR 7 173.049 7.633 11.232 18 H VAL 8 H VAL 8 169.297 10.267 8.536 19 HA VAL 8 HA VAL 8 169.039 10.564 5.615 20 HB VAL 8 HB VAL 8 171.334 11.551 7.299 21 HG11 VAL 8 HG11 VAL 8 171.529 13.072 5.217 22 HG12 VAL 8 HG12 VAL 8 170.527 11.849 4.435 23 HG13 VAL 8 HG13 VAL 8 172.092 11.404 5.114 24 HG21 VAL 8 HG21 VAL 8 168.726 12.829 6.623 25 HG22 VAL 8 HG22 VAL 8 170.177 13.828 6.712 26 HG23 VAL 8 HG23 VAL 8 169.659 12.897 8.117 27 H VAL 9 H VAL 9 170.814 9.764 4.303 28 HA VAL 9 HA VAL 9 171.492 7.097 4.938 29 HB VAL 9 HB VAL 9 171.214 7.845 2.633 30 HG11 VAL 9 HG11 VAL 9 173.845 9.106 2.410 31 HG12 VAL 9 HG12 VAL 9 172.675 10.027 3.351 32 HG13 VAL 9 HG13 VAL 9 172.302 9.563 1.692 33 HG21 VAL 9 HG21 VAL 9 173.907 7.098 2.178 34 HG22 VAL 9 HG22 VAL 9 172.465 6.086 2.111 35 HG23 VAL 9 HG23 VAL 9 173.359 6.249 3.622 36 HA PRO 10 HA PRO 10 175.130 7.927 7.415 37 HB2 PRO 10 HB2 PRO 10 175.772 5.088 7.024 38 HB3 PRO 10 HB3 PRO 10 175.397 5.957 8.514 39 HG2 PRO 10 HG2 PRO 10 173.694 4.178 7.418 40 HG3 PRO 10 HG3 PRO 10 173.134 5.605 8.307 41 HD2 PRO 10 HD2 PRO 10 173.281 5.144 5.352 42 HD3 PRO 10 HD3 PRO 10 172.019 5.950 6.309 43 H SER 11 H SER 11 177.543 7.103 7.281 44 HA SER 11 HA SER 11 178.380 7.490 4.496 45 HB2 SER 11 HB2 SER 11 179.078 9.128 6.338 46 HB3 SER 11 HB3 SER 11 180.130 7.840 6.924 47 HG SER 11 HG SER 11 181.464 8.701 5.527 48 H ALA 12 H ALA 12 179.620 6.045 3.452 49 HA ALA 12 HA ALA 12 180.045 3.479 4.744 50 HB1 ALA 12 HB1 ALA 12 179.214 4.099 2.264 51 HB2 ALA 12 HB2 ALA 12 179.978 2.567 2.685 52 HB3 ALA 12 HB3 ALA 12 180.936 3.861 1.963 53 H LYS 13 H LYS 13 181.840 3.192 5.882 54 HA LYS 13 HA LYS 13 184.303 4.570 5.133 55 HB2 LYS 13 HB2 LYS 13 183.179 3.487 7.588 56 HB3 LYS 13 HB3 LYS 13 184.835 2.947 7.344 57 HG2 LYS 13 HG2 LYS 13 185.549 5.280 7.101 58 HG3 LYS 13 HG3 LYS 13 183.889 5.806 7.387 59 HD2 LYS 13 HD2 LYS 13 184.126 4.374 9.565 60 HD3 LYS 13 HD3 LYS 13 185.855 4.597 9.284 61 HE2 LYS 13 HE2 LYS 13 185.793 6.766 9.866 62 HE3 LYS 13 HE3 LYS 13 184.262 7.045 9.036 63 HZ1 LYS 13 HZ1 LYS 13 184.531 7.047 11.684 64 HZ2 LYS 13 HZ2 LYS 13 184.108 5.428 11.440 65 HZ3 LYS 13 HZ3 LYS 13 183.086 6.660 10.895 66 H LEU 14 H LEU 14 185.019 3.497 3.326 67 HA LEU 14 HA LEU 14 185.170 0.619 3.265 68 HB2 LEU 14 HB2 LEU 14 186.397 2.508 1.284 69 HB3 LEU 14 HB3 LEU 14 185.903 0.847 1.029 70 HG LEU 14 HG LEU 14 183.528 1.955 1.707 71 HD11 LEU 14 HD11 LEU 14 184.392 4.058 -0.127 72 HD12 LEU 14 HD12 LEU 14 185.095 4.180 1.485 73 HD13 LEU 14 HD13 LEU 14 183.342 4.142 1.289 74 HD21 LEU 14 HD21 LEU 14 184.278 0.575 -0.318 75 HD22 LEU 14 HD22 LEU 14 184.541 2.129 -1.110 76 HD23 LEU 14 HD23 LEU 14 182.932 1.694 -0.535 77 H GLU 15 H GLU 15 187.145 -0.495 2.644 78 HA GLU 15 HA GLU 15 189.674 0.696 3.418 79 HB2 GLU 15 HB2 GLU 15 188.400 -1.596 4.910 80 HB3 GLU 15 HB3 GLU 15 190.132 -1.305 4.938 81 HG2 GLU 15 HG2 GLU 15 189.447 1.088 5.685 82 HG3 GLU 15 HG3 GLU 15 187.923 0.313 6.114 83 H ALA 16 H ALA 16 191.389 -0.247 2.310 84 HA ALA 16 HA ALA 16 190.624 -2.161 0.263 85 HB1 ALA 16 HB1 ALA 16 193.446 -1.409 0.403 86 HB2 ALA 16 HB2 ALA 16 192.337 -0.045 0.274 87 HB3 ALA 16 HB3 ALA 16 192.311 -1.322 -0.943 88 H ILE 17 H ILE 17 190.669 -4.244 0.610 89 HA ILE 17 HA ILE 17 192.460 -5.376 2.623 90 HB ILE 17 HB ILE 17 190.303 -6.820 1.083 91 HG12 ILE 17 HG12 ILE 17 189.358 -4.866 2.283 92 HG13 ILE 17 HG13 ILE 17 188.805 -6.397 2.955 93 HG21 ILE 17 HG21 ILE 17 191.414 -8.517 2.079 94 HG22 ILE 17 HG22 ILE 17 190.451 -8.033 3.475 95 HG23 ILE 17 HG23 ILE 17 192.117 -7.477 3.318 96 HD11 ILE 17 HD11 ILE 17 189.657 -4.378 4.456 97 HD12 ILE 17 HD12 ILE 17 191.200 -5.186 4.187 98 HD13 ILE 17 HD13 ILE 17 189.861 -6.066 4.924 99 H TYR 18 H TYR 18 194.427 -5.895 1.865 100 HA TYR 18 HA TYR 18 194.856 -6.657 -0.867 101 HB2 TYR 18 HB2 TYR 18 197.176 -6.708 -0.289 102 HB3 TYR 18 HB3 TYR 18 196.471 -5.316 0.513 103 HD1 TYR 18 HD1 TYR 18 196.022 -5.409 2.967 104 HD2 TYR 18 HD2 TYR 18 198.179 -8.473 0.950 105 HE1 TYR 18 HE1 TYR 18 196.900 -6.204 5.122 106 HE2 TYR 18 HE2 TYR 18 199.062 -9.276 3.099 107 HH TYR 18 HH TYR 18 198.013 -8.991 5.740 108 HA PRO 19 HA PRO 19 196.364 -7.707 -1.928 109 HB2 PRO 19 HB2 PRO 19 196.439 -9.921 -3.651 110 HB3 PRO 19 HB3 PRO 19 197.751 -9.360 -2.614 111 HG2 PRO 19 HG2 PRO 19 196.326 -11.783 -2.370 112 HG3 PRO 19 HG3 PRO 19 197.465 -11.099 -1.200 113 HD2 PRO 19 HD2 PRO 19 194.490 -11.026 -1.217 114 HD3 PRO 19 HD3 PRO 19 195.612 -11.055 0.157 115 H ARG 20 H ARG 20 193.340 -8.987 -1.579 116 HA ARG 20 HA ARG 20 192.245 -7.465 -3.674 117 HB2 ARG 20 HB2 ARG 20 193.087 -10.020 -4.448 118 HB3 ARG 20 HB3 ARG 20 191.345 -10.150 -4.263 119 HG2 ARG 20 HG2 ARG 20 192.032 -7.742 -5.680 120 HG3 ARG 20 HG3 ARG 20 192.756 -9.152 -6.453 121 HD2 ARG 20 HD2 ARG 20 189.919 -9.352 -5.607 122 HD3 ARG 20 HD3 ARG 20 190.285 -8.334 -6.997 123 HE ARG 20 HE ARG 20 191.052 -10.233 -8.163 124 HH11 ARG 20 HH11 ARG 20 189.770 -11.035 -5.008 125 HH12 ARG 20 HH12 ARG 20 189.582 -12.713 -5.382 126 HH21 ARG 20 HH21 ARG 20 190.802 -12.440 -8.641 127 HH22 ARG 20 HH22 ARG 20 190.169 -13.511 -7.437 128 H GLY 21 H GLY 21 190.938 -6.623 -2.083 129 HA2 GLY 21 HA2 GLY 21 188.532 -8.038 -1.540 130 HA3 GLY 21 HA3 GLY 21 189.545 -7.983 -0.117 131 H LEU 22 H LEU 22 187.212 -6.846 0.224 132 HA LEU 22 HA LEU 22 187.862 -4.024 0.437 133 HB2 LEU 22 HB2 LEU 22 186.767 -3.878 -1.625 134 HB3 LEU 22 HB3 LEU 22 185.588 -5.100 -1.194 135 HG LEU 22 HG LEU 22 184.417 -3.566 0.240 136 HD11 LEU 22 HD11 LEU 22 185.581 -1.071 -0.203 137 HD12 LEU 22 HD12 LEU 22 186.921 -2.144 0.203 138 HD13 LEU 22 HD13 LEU 22 185.553 -1.986 1.304 139 HD21 LEU 22 HD21 LEU 22 184.065 -3.497 -2.253 140 HD22 LEU 22 HD22 LEU 22 185.079 -2.055 -2.274 141 HD23 LEU 22 HD23 LEU 22 183.566 -2.054 -1.370 142 H ARG 23 H ARG 23 186.982 -3.072 2.209 143 HA ARG 23 HA ARG 23 184.905 -4.519 3.688 144 HB2 ARG 23 HB2 ARG 23 187.323 -4.969 4.514 145 HB3 ARG 23 HB3 ARG 23 187.250 -3.326 5.140 146 HG2 ARG 23 HG2 ARG 23 185.082 -4.083 6.293 147 HG3 ARG 23 HG3 ARG 23 185.645 -5.719 5.948 148 HD2 ARG 23 HD2 ARG 23 187.820 -5.051 7.066 149 HD3 ARG 23 HD3 ARG 23 186.976 -3.608 7.628 150 HE ARG 23 HE ARG 23 185.886 -4.892 9.177 151 HH11 ARG 23 HH11 ARG 23 187.323 -6.991 6.788 152 HH12 ARG 23 HH12 ARG 23 186.965 -8.440 7.664 153 HH21 ARG 23 HH21 ARG 23 185.415 -6.797 10.332 154 HH22 ARG 23 HH22 ARG 23 185.881 -8.331 9.676 155 H VAL 24 H VAL 24 183.272 -3.095 3.651 156 HA VAL 24 HA VAL 24 183.875 -0.288 4.321 157 HB VAL 24 HB VAL 24 181.475 -1.256 2.779 158 HG11 VAL 24 HG11 VAL 24 180.876 0.796 3.623 159 HG12 VAL 24 HG12 VAL 24 181.617 1.263 2.093 160 HG13 VAL 24 HG13 VAL 24 182.530 1.411 3.595 161 HG21 VAL 24 HG21 VAL 24 183.284 -1.745 1.357 162 HG22 VAL 24 HG22 VAL 24 184.142 -0.270 1.805 163 HG23 VAL 24 HG23 VAL 24 182.683 -0.178 0.816 164 H SER 25 H SER 25 182.303 0.862 5.577 165 HA SER 25 HA SER 25 180.341 -0.750 7.013 166 HB2 SER 25 HB2 SER 25 181.900 1.051 8.759 167 HB3 SER 25 HB3 SER 25 181.251 -0.556 9.083 168 HG SER 25 HG SER 25 183.256 -1.151 8.858 169 H ILE 26 H ILE 26 178.590 0.402 7.776 170 HA ILE 26 HA ILE 26 178.602 3.317 7.335 171 HB ILE 26 HB ILE 26 176.245 3.086 6.431 172 HG12 ILE 26 HG12 ILE 26 176.760 0.445 5.324 173 HG13 ILE 26 HG13 ILE 26 176.643 0.408 7.079 174 HG21 ILE 26 HG21 ILE 26 177.022 2.609 4.142 175 HG22 ILE 26 HG22 ILE 26 178.544 2.012 4.805 176 HG23 ILE 26 HG23 ILE 26 178.097 3.706 5.009 177 HD11 ILE 26 HD11 ILE 26 174.453 1.264 7.049 178 HD12 ILE 26 HD12 ILE 26 174.509 0.025 5.795 179 HD13 ILE 26 HD13 ILE 26 174.579 1.731 5.353 180 HA PRO 27 HA PRO 27 176.898 3.288 11.473 181 HB2 PRO 27 HB2 PRO 27 175.761 5.889 10.569 182 HB3 PRO 27 HB3 PRO 27 176.709 5.517 12.013 183 HG2 PRO 27 HG2 PRO 27 177.815 6.797 9.959 184 HG3 PRO 27 HG3 PRO 27 178.725 5.576 10.866 185 HD2 PRO 27 HD2 PRO 27 177.435 5.372 8.179 186 HD3 PRO 27 HD3 PRO 27 178.958 4.667 8.757 187 H ASP 28 H ASP 28 175.302 1.762 11.447 188 HA ASP 28 HA ASP 28 172.948 1.916 9.891 189 HB2 ASP 28 HB2 ASP 28 173.802 -0.220 10.711 190 HB3 ASP 28 HB3 ASP 28 173.541 0.295 12.374 191 H ASP 29 H ASP 29 170.812 2.268 10.538 192 HA ASP 29 HA ASP 29 170.378 3.630 13.088 193 HB2 ASP 29 HB2 ASP 29 170.700 5.108 10.806 194 HB3 ASP 29 HB3 ASP 29 168.956 4.867 10.823 195 H GLY 30 H GLY 30 169.707 1.058 12.563 196 HA2 GLY 30 HA2 GLY 30 167.950 -0.381 12.776 197 HA3 GLY 30 HA3 GLY 30 166.943 1.028 13.045 198 H PHE 31 H PHE 31 168.860 0.370 10.162 199 HA PHE 31 HA PHE 31 166.555 0.772 8.495 200 HB2 PHE 31 HB2 PHE 31 169.284 -0.182 7.622 201 HB3 PHE 31 HB3 PHE 31 168.060 0.606 6.636 202 HD1 PHE 31 HD1 PHE 31 167.252 2.904 8.096 203 HD2 PHE 31 HD2 PHE 31 171.126 1.169 7.817 204 HE1 PHE 31 HE1 PHE 31 168.263 5.094 8.586 205 HE2 PHE 31 HE2 PHE 31 172.144 3.354 8.308 206 HZ PHE 31 HZ PHE 31 170.711 5.319 8.692 207 H SER 32 H SER 32 166.813 -0.882 6.443 208 HA SER 32 HA SER 32 166.578 -3.599 7.500 209 HB2 SER 32 HB2 SER 32 164.603 -2.142 5.741 210 HB3 SER 32 HB3 SER 32 164.634 -3.899 5.880 211 HG SER 32 HG SER 32 164.427 -2.173 8.116 212 H LEU 33 H LEU 33 167.433 -1.430 4.871 213 HA LEU 33 HA LEU 33 168.855 -3.704 3.672 214 HB2 LEU 33 HB2 LEU 33 166.577 -3.270 2.518 215 HB3 LEU 33 HB3 LEU 33 167.370 -1.858 1.861 216 HG LEU 33 HG LEU 33 169.186 -3.436 1.021 217 HD11 LEU 33 HD11 LEU 33 168.910 -5.679 1.040 218 HD12 LEU 33 HD12 LEU 33 167.150 -5.578 0.975 219 HD13 LEU 33 HD13 LEU 33 167.994 -5.308 2.501 220 HD21 LEU 33 HD21 LEU 33 167.053 -2.379 -0.183 221 HD22 LEU 33 HD22 LEU 33 166.672 -4.089 -0.391 222 HD23 LEU 33 HD23 LEU 33 168.194 -3.440 -1.009 223 H PHE 34 H PHE 34 170.814 -3.246 2.990 224 HA PHE 34 HA PHE 34 171.561 -0.427 2.599 225 HB2 PHE 34 HB2 PHE 34 172.544 -1.235 4.666 226 HB3 PHE 34 HB3 PHE 34 173.179 -2.650 3.847 227 HD1 PHE 34 HD1 PHE 34 173.265 1.039 3.258 228 HD2 PHE 34 HD2 PHE 34 175.443 -2.605 3.553 229 HE1 PHE 34 HE1 PHE 34 175.350 2.250 2.775 230 HE2 PHE 34 HE2 PHE 34 177.532 -1.401 3.066 231 HZ PHE 34 HZ PHE 34 177.487 1.031 2.675 232 H ALA 35 H ALA 35 171.602 -0.303 0.398 233 HA ALA 35 HA ALA 35 172.950 -2.438 -1.098 234 HB1 ALA 35 HB1 ALA 35 171.955 -0.928 -3.049 235 HB2 ALA 35 HB2 ALA 35 170.853 -0.452 -1.757 236 HB3 ALA 35 HB3 ALA 35 170.994 -2.150 -2.215 237 H PHE 36 H PHE 36 174.923 -2.153 -1.910 238 HA PHE 36 HA PHE 36 175.994 0.589 -1.996 239 HB2 PHE 36 HB2 PHE 36 177.097 -0.948 -0.382 240 HB3 PHE 36 HB3 PHE 36 177.531 -1.999 -1.724 241 HD1 PHE 36 HD1 PHE 36 178.882 -0.863 -3.650 242 HD2 PHE 36 HD2 PHE 36 178.590 0.659 0.312 243 HE1 PHE 36 HE1 PHE 36 180.946 0.427 -3.999 244 HE2 PHE 36 HE2 PHE 36 180.653 1.954 -0.029 245 HZ PHE 36 HZ PHE 36 181.833 1.840 -2.187 246 H HIS 37 H HIS 37 176.656 1.398 -3.874 247 HA HIS 37 HA HIS 37 177.088 -0.389 -6.165 248 HB2 HIS 37 HB2 HIS 37 175.119 1.668 -5.774 249 HB3 HIS 37 HB3 HIS 37 176.224 2.150 -7.039 250 HD1 HIS 37 HD1 HIS 37 174.588 1.810 -8.980 251 HD2 HIS 37 HD2 HIS 37 175.058 -1.570 -6.614 252 HE1 HIS 37 HE1 HIS 37 173.417 -0.038 -10.212 253 HE2 HIS 37 HE2 HIS 37 173.802 -2.096 -8.811 254 H GLY 38 H GLY 38 179.227 -0.148 -6.839 255 HA2 GLY 38 HA2 GLY 38 180.293 2.569 -6.900 256 HA3 GLY 38 HA3 GLY 38 181.090 1.475 -5.789 257 H LYS 39 H LYS 39 181.839 2.935 -8.334 258 HA LYS 39 HA LYS 39 182.885 0.617 -9.818 259 HB2 LYS 39 HB2 LYS 39 181.434 2.093 -11.158 260 HB3 LYS 39 HB3 LYS 39 182.469 3.459 -10.772 261 HG2 LYS 39 HG2 LYS 39 183.149 2.840 -12.899 262 HG3 LYS 39 HG3 LYS 39 184.349 2.085 -11.848 263 HD2 LYS 39 HD2 LYS 39 183.863 0.109 -12.742 264 HD3 LYS 39 HD3 LYS 39 182.214 0.250 -12.133 265 HE2 LYS 39 HE2 LYS 39 182.599 1.855 -14.508 266 HE3 LYS 39 HE3 LYS 39 183.028 0.169 -14.799 267 HZ1 LYS 39 HZ1 LYS 39 180.788 -0.284 -13.614 268 HZ2 LYS 39 HZ2 LYS 39 180.788 0.187 -15.238 269 HZ3 LYS 39 HZ3 LYS 39 180.431 1.317 -14.033 270 H LEU 40 H LEU 40 185.063 0.506 -10.248 271 HA LEU 40 HA LEU 40 186.742 2.240 -8.600 272 HB2 LEU 40 HB2 LEU 40 186.922 -0.236 -8.412 273 HB3 LEU 40 HB3 LEU 40 187.481 -0.288 -10.073 274 HG LEU 40 HG LEU 40 189.410 1.172 -9.372 275 HD11 LEU 40 HD11 LEU 40 188.710 0.365 -6.572 276 HD12 LEU 40 HD12 LEU 40 188.184 1.904 -7.252 277 HD13 LEU 40 HD13 LEU 40 189.904 1.540 -7.118 278 HD21 LEU 40 HD21 LEU 40 190.538 -0.742 -8.099 279 HD22 LEU 40 HD22 LEU 40 189.917 -1.084 -9.714 280 HD23 LEU 40 HD23 LEU 40 189.007 -1.598 -8.293 281 H ASN 41 H ASN 41 188.428 3.447 -9.392 282 HA ASN 41 HA ASN 41 189.344 4.924 -10.872 283 HB2 ASN 41 HB2 ASN 41 190.594 3.855 -12.691 284 HB3 ASN 41 HB3 ASN 41 190.749 2.940 -11.195 285 HD21 ASN 41 HD21 ASN 41 190.169 0.859 -11.169 286 HD22 ASN 41 HD22 ASN 41 189.437 0.021 -12.490 287 H GLU 42 H GLU 42 186.685 5.202 -11.072 288 HA GLU 42 HA GLU 42 186.300 6.386 -13.546 289 HB2 GLU 42 HB2 GLU 42 186.193 4.089 -14.424 290 HB3 GLU 42 HB3 GLU 42 184.880 3.729 -13.309 291 HG2 GLU 42 HG2 GLU 42 183.484 5.398 -14.388 292 HG3 GLU 42 HG3 GLU 42 184.799 5.803 -15.487 293 H GLU 43 H GLU 43 185.223 8.013 -12.762 294 HA GLU 43 HA GLU 43 183.596 8.043 -10.513 295 HB2 GLU 43 HB2 GLU 43 183.412 9.941 -12.849 296 HB3 GLU 43 HB3 GLU 43 182.905 10.254 -11.195 297 HG2 GLU 43 HG2 GLU 43 185.199 10.111 -10.442 298 HG3 GLU 43 HG3 GLU 43 185.720 9.729 -12.075 299 H MET 44 H MET 44 181.283 9.290 -11.059 300 HA MET 44 HA MET 44 179.675 7.968 -13.003 301 HB2 MET 44 HB2 MET 44 178.191 7.074 -10.927 302 HB3 MET 44 HB3 MET 44 179.347 6.077 -11.796 303 HG2 MET 44 HG2 MET 44 180.761 5.962 -10.056 304 HG3 MET 44 HG3 MET 44 180.457 7.624 -9.559 305 HE1 MET 44 HE1 MET 44 178.323 4.383 -10.068 306 HE2 MET 44 HE2 MET 44 177.894 3.964 -8.408 307 HE3 MET 44 HE3 MET 44 179.572 3.849 -8.943 308 H ASP 45 H ASP 45 177.460 8.718 -12.974 309 HA ASP 45 HA ASP 45 176.882 10.929 -11.153 310 HB2 ASP 45 HB2 ASP 45 178.012 11.758 -13.304 311 HB3 ASP 45 HB3 ASP 45 176.523 11.295 -14.122 312 H GLY 46 H GLY 46 175.538 8.911 -10.578 313 HA2 GLY 46 HA2 GLY 46 172.919 9.287 -10.750 314 HA3 GLY 46 HA3 GLY 46 173.270 8.455 -12.256 315 H LEU 47 H LEU 47 172.246 6.539 -11.824 316 HA LEU 47 HA LEU 47 173.291 5.013 -9.556 317 HB2 LEU 47 HB2 LEU 47 170.607 4.843 -10.911 318 HB3 LEU 47 HB3 LEU 47 171.140 3.871 -9.559 319 HG LEU 47 HG LEU 47 171.031 6.865 -9.407 320 HD11 LEU 47 HD11 LEU 47 168.789 5.911 -9.987 321 HD12 LEU 47 HD12 LEU 47 168.851 6.734 -8.429 322 HD13 LEU 47 HD13 LEU 47 168.864 4.973 -8.497 323 HD21 LEU 47 HD21 LEU 47 170.806 4.864 -7.179 324 HD22 LEU 47 HD22 LEU 47 171.222 6.576 -7.094 325 HD23 LEU 47 HD23 LEU 47 172.368 5.424 -7.784 326 H GLU 48 H GLU 48 174.985 4.678 -11.331 327 HA GLU 48 HA GLU 48 174.243 2.722 -13.345 328 HB2 GLU 48 HB2 GLU 48 176.598 2.890 -14.051 329 HB3 GLU 48 HB3 GLU 48 175.828 4.468 -13.957 330 HG2 GLU 48 HG2 GLU 48 177.209 5.186 -12.354 331 HG3 GLU 48 HG3 GLU 48 177.175 3.646 -11.497 332 H ALA 49 H ALA 49 175.133 0.631 -13.489 333 HA ALA 49 HA ALA 49 175.141 -0.867 -11.177 334 HB1 ALA 49 HB1 ALA 49 174.792 -2.212 -12.962 335 HB2 ALA 49 HB2 ALA 49 176.521 -2.498 -12.772 336 HB3 ALA 49 HB3 ALA 49 175.945 -1.347 -13.978 337 H GLY 50 H GLY 50 177.723 0.949 -12.590 338 HA2 GLY 50 HA2 GLY 50 179.953 1.165 -12.068 339 HA3 GLY 50 HA3 GLY 50 179.376 1.009 -10.415 340 H HIS 51 H HIS 51 180.261 -0.566 -9.275 341 HA HIS 51 HA HIS 51 181.030 -3.042 -10.614 342 HB2 HIS 51 HB2 HIS 51 182.982 -1.329 -10.213 343 HB3 HIS 51 HB3 HIS 51 182.885 -1.914 -8.556 344 HD1 HIS 51 HD1 HIS 51 185.427 -2.690 -9.306 345 HD2 HIS 51 HD2 HIS 51 182.216 -4.813 -10.870 346 HE1 HIS 51 HE1 HIS 51 186.389 -4.873 -10.103 347 HE2 HIS 51 HE2 HIS 51 184.442 -6.103 -11.128 348 H TRP 52 H TRP 52 181.439 -1.726 -7.332 349 HA TRP 52 HA TRP 52 180.614 -4.154 -6.110 350 HB2 TRP 52 HB2 TRP 52 180.903 -1.358 -4.985 351 HB3 TRP 52 HB3 TRP 52 180.601 -2.795 -4.012 352 HD1 TRP 52 HD1 TRP 52 182.594 -4.759 -4.233 353 HE1 TRP 52 HE1 TRP 52 185.137 -4.425 -4.366 354 HE3 TRP 52 HE3 TRP 52 182.694 0.133 -5.712 355 HZ2 TRP 52 HZ2 TRP 52 186.956 -2.357 -5.008 356 HZ3 TRP 52 HZ3 TRP 52 184.875 1.213 -6.067 357 HH2 TRP 52 HH2 TRP 52 186.961 -0.006 -5.721 358 H ALA 53 H ALA 53 178.609 -4.663 -6.989 359 HA ALA 53 HA ALA 53 176.381 -2.927 -6.144 360 HB1 ALA 53 HB1 ALA 53 175.274 -3.272 -8.102 361 HB2 ALA 53 HB2 ALA 53 175.982 -4.869 -8.350 362 HB3 ALA 53 HB3 ALA 53 176.930 -3.421 -8.690 363 H ARG 54 H ARG 54 176.120 -3.969 -4.131 364 HA ARG 54 HA ARG 54 174.716 -6.509 -4.328 365 HB2 ARG 54 HB2 ARG 54 177.121 -6.987 -3.923 366 HB3 ARG 54 HB3 ARG 54 177.008 -6.103 -2.416 367 HG2 ARG 54 HG2 ARG 54 175.059 -7.773 -1.917 368 HG3 ARG 54 HG3 ARG 54 175.862 -8.753 -3.145 369 HD2 ARG 54 HD2 ARG 54 177.954 -8.612 -1.872 370 HD3 ARG 54 HD3 ARG 54 177.135 -7.654 -0.641 371 HE ARG 54 HE ARG 54 176.993 -10.501 -1.002 372 HH11 ARG 54 HH11 ARG 54 175.364 -7.698 0.291 373 HH12 ARG 54 HH12 ARG 54 174.449 -8.607 1.445 374 HH21 ARG 54 HH21 ARG 54 175.790 -11.698 0.516 375 HH22 ARG 54 HH22 ARG 54 174.691 -10.878 1.574 376 H ASP 55 H ASP 55 172.976 -6.568 -3.055 377 HA ASP 55 HA ASP 55 172.538 -4.382 -1.175 378 HB2 ASP 55 HB2 ASP 55 170.189 -5.383 -1.151 379 HB3 ASP 55 HB3 ASP 55 170.721 -4.644 -2.654 380 H ILE 56 H ILE 56 172.326 -4.638 0.989 381 HA ILE 56 HA ILE 56 172.711 -7.360 2.051 382 HB ILE 56 HB ILE 56 173.332 -4.806 3.525 383 HG12 ILE 56 HG12 ILE 56 175.228 -6.522 1.904 384 HG13 ILE 56 HG13 ILE 56 174.685 -4.905 1.464 385 HG21 ILE 56 HG21 ILE 56 173.626 -7.695 4.044 386 HG22 ILE 56 HG22 ILE 56 173.359 -6.359 5.164 387 HG23 ILE 56 HG23 ILE 56 174.976 -6.672 4.534 388 HD11 ILE 56 HD11 ILE 56 175.727 -4.686 4.051 389 HD12 ILE 56 HD12 ILE 56 176.430 -4.095 2.546 390 HD13 ILE 56 HD13 ILE 56 176.855 -5.697 3.148 391 H THR 57 H THR 57 171.645 -7.862 4.093 392 HA THR 57 HA THR 57 169.381 -6.160 4.795 393 HB THR 57 HB THR 57 168.535 -7.714 3.078 394 HG1 THR 57 HG1 THR 57 167.616 -8.151 5.720 395 HG21 THR 57 HG21 THR 57 169.391 -9.765 3.015 396 HG22 THR 57 HG22 THR 57 168.253 -10.133 4.311 397 HG23 THR 57 HG23 THR 57 169.919 -9.697 4.698 398 H LYS 58 H LYS 58 171.712 -6.588 6.258 399 HA LYS 58 HA LYS 58 170.692 -7.284 8.768 400 HB2 LYS 58 HB2 LYS 58 171.066 -9.570 7.436 401 HB3 LYS 58 HB3 LYS 58 172.703 -9.349 8.040 402 HG2 LYS 58 HG2 LYS 58 171.575 -10.708 9.605 403 HG3 LYS 58 HG3 LYS 58 171.716 -9.109 10.336 404 HD2 LYS 58 HD2 LYS 58 169.292 -9.159 8.872 405 HD3 LYS 58 HD3 LYS 58 169.365 -10.645 9.822 406 HE2 LYS 58 HE2 LYS 58 170.028 -9.120 11.780 407 HE3 LYS 58 HE3 LYS 58 169.437 -7.800 10.770 408 HZ1 LYS 58 HZ1 LYS 58 167.431 -9.609 10.638 409 HZ2 LYS 58 HZ2 LYS 58 167.467 -8.270 11.670 410 HZ3 LYS 58 HZ3 LYS 58 167.962 -9.786 12.236 411 HA PRO 59 HA PRO 59 174.323 -4.540 9.076 412 HB2 PRO 59 HB2 PRO 59 173.331 -4.553 11.884 413 HB3 PRO 59 HB3 PRO 59 173.790 -3.185 10.861 414 HG2 PRO 59 HG2 PRO 59 171.227 -3.717 11.347 415 HG3 PRO 59 HG3 PRO 59 171.753 -3.178 9.742 416 HD2 PRO 59 HD2 PRO 59 170.999 -5.916 10.671 417 HD3 PRO 59 HD3 PRO 59 170.698 -5.131 9.107 418 H LYS 60 H LYS 60 175.852 -4.406 11.220 419 HA LYS 60 HA LYS 60 176.682 -7.186 11.771 420 HB2 LYS 60 HB2 LYS 60 178.139 -5.532 10.282 421 HB3 LYS 60 HB3 LYS 60 178.670 -4.963 11.859 422 HG2 LYS 60 HG2 LYS 60 178.965 -7.597 12.228 423 HG3 LYS 60 HG3 LYS 60 179.205 -7.517 10.481 424 HD2 LYS 60 HD2 LYS 60 180.944 -5.825 10.797 425 HD3 LYS 60 HD3 LYS 60 180.698 -5.896 12.544 426 HE2 LYS 60 HE2 LYS 60 182.480 -7.314 12.333 427 HE3 LYS 60 HE3 LYS 60 181.151 -8.461 12.166 428 HZ1 LYS 60 HZ1 LYS 60 182.651 -8.928 10.437 429 HZ2 LYS 60 HZ2 LYS 60 182.825 -7.299 10.018 430 HZ3 LYS 60 HZ3 LYS 60 181.371 -8.101 9.701 431 H GLU 61 H GLU 61 176.965 -3.860 12.965 432 HA GLU 61 HA GLU 61 176.008 -4.469 15.540 433 HB2 GLU 61 HB2 GLU 61 178.547 -5.327 15.360 434 HB3 GLU 61 HB3 GLU 61 178.854 -3.643 15.760 435 HG2 GLU 61 HG2 GLU 61 176.844 -4.598 17.513 436 HG3 GLU 61 HG3 GLU 61 178.149 -5.781 17.482 437 H GLY 62 H GLY 62 174.729 -2.727 14.864 438 HA2 GLY 62 HA2 GLY 62 174.135 -0.502 15.030 439 HA3 GLY 62 HA3 GLY 62 175.737 -0.171 15.683 440 H ARG 63 H ARG 63 176.311 -1.893 12.986 441 HA ARG 63 HA ARG 63 175.956 0.156 10.988 442 HB2 ARG 63 HB2 ARG 63 178.806 -0.642 11.434 443 HB3 ARG 63 HB3 ARG 63 178.162 0.780 10.627 444 HG2 ARG 63 HG2 ARG 63 177.583 1.777 12.741 445 HG3 ARG 63 HG3 ARG 63 178.066 0.313 13.600 446 HD2 ARG 63 HD2 ARG 63 180.302 0.917 12.128 447 HD3 ARG 63 HD3 ARG 63 179.690 2.511 12.571 448 HE ARG 63 HE ARG 63 179.617 1.183 14.911 449 HH11 ARG 63 HH11 ARG 63 182.123 1.594 12.517 450 HH12 ARG 63 HH12 ARG 63 183.413 1.484 13.667 451 HH21 ARG 63 HH21 ARG 63 181.313 1.037 16.426 452 HH22 ARG 63 HH22 ARG 63 182.953 1.167 15.885 453 H TRP 64 H TRP 64 176.207 -0.642 8.884 454 HA TRP 64 HA TRP 64 176.166 -3.516 8.687 455 HB2 TRP 64 HB2 TRP 64 176.007 -1.443 6.498 456 HB3 TRP 64 HB3 TRP 64 175.619 -3.143 6.353 457 HD1 TRP 64 HD1 TRP 64 174.389 -0.359 8.785 458 HE1 TRP 64 HE1 TRP 64 171.827 -0.511 8.900 459 HE3 TRP 64 HE3 TRP 64 173.637 -4.248 5.544 460 HZ2 TRP 64 HZ2 TRP 64 169.759 -2.053 7.773 461 HZ3 TRP 64 HZ3 TRP 64 171.330 -4.995 5.125 462 HH2 TRP 64 HH2 TRP 64 169.429 -3.920 6.222 463 H THR 65 H THR 65 177.494 -4.625 7.050 464 HA THR 65 HA THR 65 180.123 -3.375 6.663 465 HB THR 65 HB THR 65 179.678 -6.196 7.650 466 HG1 THR 65 HG1 THR 65 179.380 -4.396 9.177 467 HG21 THR 65 HG21 THR 65 182.334 -4.968 7.840 468 HG22 THR 65 HG22 THR 65 181.805 -5.391 6.211 469 HG23 THR 65 HG23 THR 65 181.867 -6.628 7.467 470 H PHE 66 H PHE 66 180.566 -3.333 4.583 471 HA PHE 66 HA PHE 66 179.410 -5.370 2.816 472 HB2 PHE 66 HB2 PHE 66 179.106 -2.887 2.348 473 HB3 PHE 66 HB3 PHE 66 180.827 -2.839 1.982 474 HD1 PHE 66 HD1 PHE 66 181.706 -4.244 0.097 475 HD2 PHE 66 HD2 PHE 66 177.549 -3.637 0.771 476 HE1 PHE 66 HE1 PHE 66 181.235 -4.943 -2.214 477 HE2 PHE 66 HE2 PHE 66 177.069 -4.334 -1.537 478 HZ PHE 66 HZ PHE 66 178.913 -4.990 -3.033 479 H ARG 67 H ARG 67 180.900 -7.024 3.400 480 HA ARG 67 HA ARG 67 183.711 -6.578 2.789 481 HB2 ARG 67 HB2 ARG 67 182.205 -8.419 4.448 482 HB3 ARG 67 HB3 ARG 67 183.363 -9.272 3.436 483 HG2 ARG 67 HG2 ARG 67 185.029 -7.460 4.290 484 HG3 ARG 67 HG3 ARG 67 183.846 -7.262 5.585 485 HD2 ARG 67 HD2 ARG 67 185.621 -8.851 6.182 486 HD3 ARG 67 HD3 ARG 67 184.034 -9.610 6.155 487 HE ARG 67 HE ARG 67 186.205 -10.030 4.239 488 HH11 ARG 67 HH11 ARG 67 182.971 -10.814 5.314 489 HH12 ARG 67 HH12 ARG 67 182.883 -12.264 4.374 490 HH21 ARG 67 HH21 ARG 67 186.077 -11.932 3.003 491 HH22 ARG 67 HH22 ARG 67 184.641 -12.898 3.064 492 H ASP 68 H ASP 68 184.603 -7.074 0.912 493 HA ASP 68 HA ASP 68 183.363 -9.141 -0.767 494 HB2 ASP 68 HB2 ASP 68 183.220 -6.406 -1.320 495 HB3 ASP 68 HB3 ASP 68 184.509 -7.001 -2.364 496 H ARG 69 H ARG 69 184.845 -10.690 -0.885 497 HA ARG 69 HA ARG 69 187.677 -10.037 -0.834 498 HB2 ARG 69 HB2 ARG 69 186.183 -12.147 0.158 499 HB3 ARG 69 HB3 ARG 69 187.001 -12.848 -1.232 500 HG2 ARG 69 HG2 ARG 69 189.084 -11.618 -0.135 501 HG3 ARG 69 HG3 ARG 69 188.110 -11.840 1.320 502 HD2 ARG 69 HD2 ARG 69 188.294 -14.110 1.264 503 HD3 ARG 69 HD3 ARG 69 188.406 -14.166 -0.496 504 HE ARG 69 HE ARG 69 190.704 -12.969 0.710 505 HH11 ARG 69 HH11 ARG 69 189.203 -16.020 -0.075 506 HH12 ARG 69 HH12 ARG 69 190.702 -16.885 -0.137 507 HH21 ARG 69 HH21 ARG 69 192.678 -14.105 0.628 508 HH22 ARG 69 HH22 ARG 69 192.674 -15.798 0.263 509 H ASN 70 H ASN 70 185.873 -9.495 -3.206 510 HA ASN 70 HA ASN 70 187.611 -10.768 -5.199 511 HB2 ASN 70 HB2 ASN 70 184.600 -10.532 -5.382 512 HB3 ASN 70 HB3 ASN 70 185.647 -11.026 -6.708 513 HD21 ASN 70 HD21 ASN 70 184.761 -11.850 -3.390 514 HD22 ASN 70 HD22 ASN 70 184.972 -13.555 -3.570 515 H ALA 71 H ALA 71 187.905 -8.205 -4.118 516 HA ALA 71 HA ALA 71 186.963 -6.441 -6.276 517 HB1 ALA 71 HB1 ALA 71 187.163 -4.611 -4.799 518 HB2 ALA 71 HB2 ALA 71 188.112 -5.549 -3.644 519 HB3 ALA 71 HB3 ALA 71 186.398 -5.900 -3.869 520 H LYS 72 H LYS 72 188.420 -6.203 -7.844 521 HA LYS 72 HA LYS 72 191.220 -6.628 -7.435 522 HB2 LYS 72 HB2 LYS 72 189.856 -7.027 -9.579 523 HB3 LYS 72 HB3 LYS 72 189.998 -5.295 -9.843 524 HG2 LYS 72 HG2 LYS 72 192.241 -5.401 -10.277 525 HG3 LYS 72 HG3 LYS 72 192.470 -6.860 -9.310 526 HD2 LYS 72 HD2 LYS 72 190.831 -7.815 -11.223 527 HD3 LYS 72 HD3 LYS 72 191.672 -6.559 -12.136 528 HE2 LYS 72 HE2 LYS 72 193.665 -7.638 -12.046 529 HE3 LYS 72 HE3 LYS 72 193.349 -8.313 -10.447 530 HZ1 LYS 72 HZ1 LYS 72 191.874 -9.277 -12.816 531 HZ2 LYS 72 HZ2 LYS 72 192.140 -10.060 -11.341 532 HZ3 LYS 72 HZ3 LYS 72 193.408 -9.888 -12.445 533 H LEU 73 H LEU 73 191.445 -5.028 -5.693 534 HA LEU 73 HA LEU 73 191.453 -2.240 -6.562 535 HB2 LEU 73 HB2 LEU 73 191.880 -3.484 -3.846 536 HB3 LEU 73 HB3 LEU 73 191.916 -1.762 -4.166 537 HG LEU 73 HG LEU 73 189.532 -3.587 -4.465 538 HD11 LEU 73 HD11 LEU 73 190.295 -1.472 -2.474 539 HD12 LEU 73 HD12 LEU 73 189.855 -3.154 -2.177 540 HD13 LEU 73 HD13 LEU 73 188.629 -2.001 -2.702 541 HD21 LEU 73 HD21 LEU 73 188.995 -2.087 -6.073 542 HD22 LEU 73 HD22 LEU 73 190.082 -0.851 -5.438 543 HD23 LEU 73 HD23 LEU 73 188.513 -1.119 -4.680 544 H LYS 74 H LYS 74 193.254 -1.083 -6.917 545 HA LYS 74 HA LYS 74 195.844 -2.307 -6.241 546 HB2 LYS 74 HB2 LYS 74 196.759 -1.468 -8.362 547 HB3 LYS 74 HB3 LYS 74 195.449 -2.610 -8.630 548 HG2 LYS 74 HG2 LYS 74 194.033 -0.357 -8.683 549 HG3 LYS 74 HG3 LYS 74 195.590 0.288 -9.203 550 HD2 LYS 74 HD2 LYS 74 194.474 -2.186 -10.468 551 HD3 LYS 74 HD3 LYS 74 193.919 -0.591 -10.983 552 HE2 LYS 74 HE2 LYS 74 196.842 -0.958 -10.780 553 HE3 LYS 74 HE3 LYS 74 196.032 -1.856 -12.063 554 HZ1 LYS 74 HZ1 LYS 74 196.195 1.063 -11.674 555 HZ2 LYS 74 HZ2 LYS 74 194.954 0.388 -12.603 556 HZ3 LYS 74 HZ3 LYS 74 196.567 0.153 -13.050 557 H LEU 75 H LEU 75 197.427 -0.944 -5.522 558 HA LEU 75 HA LEU 75 196.738 1.365 -4.176 559 HB2 LEU 75 HB2 LEU 75 198.959 -0.162 -4.315 560 HB3 LEU 75 HB3 LEU 75 199.506 1.242 -5.210 561 HG LEU 75 HG LEU 75 198.221 1.678 -2.558 562 HD11 LEU 75 HD11 LEU 75 200.080 1.104 -1.307 563 HD12 LEU 75 HD12 LEU 75 201.143 1.071 -2.713 564 HD13 LEU 75 HD13 LEU 75 199.972 -0.223 -2.462 565 HD21 LEU 75 HD21 LEU 75 199.869 3.506 -2.487 566 HD22 LEU 75 HD22 LEU 75 198.831 3.592 -3.910 567 HD23 LEU 75 HD23 LEU 75 200.482 2.991 -4.059 568 H GLY 76 H GLY 76 196.497 3.452 -4.663 569 HA2 GLY 76 HA2 GLY 76 197.023 5.435 -5.872 570 HA3 GLY 76 HA3 GLY 76 197.506 4.437 -7.235 571 H ASP 77 H ASP 77 195.069 2.766 -6.953 572 HA ASP 77 HA ASP 77 193.454 4.113 -8.784 573 HB2 ASP 77 HB2 ASP 77 193.620 1.603 -8.369 574 HB3 ASP 77 HB3 ASP 77 192.514 1.858 -7.026 575 H LYS 78 H LYS 78 191.337 4.958 -8.580 576 HA LYS 78 HA LYS 78 190.753 6.023 -5.892 577 HB2 LYS 78 HB2 LYS 78 191.310 7.581 -7.886 578 HB3 LYS 78 HB3 LYS 78 189.697 7.180 -8.462 579 HG2 LYS 78 HG2 LYS 78 188.914 8.821 -7.200 580 HG3 LYS 78 HG3 LYS 78 189.365 7.877 -5.780 581 HD2 LYS 78 HD2 LYS 78 191.752 8.975 -6.451 582 HD3 LYS 78 HD3 LYS 78 190.641 10.248 -6.964 583 HE2 LYS 78 HE2 LYS 78 189.614 10.223 -4.727 584 HE3 LYS 78 HE3 LYS 78 190.769 8.988 -4.225 585 HZ1 LYS 78 HZ1 LYS 78 192.563 10.533 -4.574 586 HZ2 LYS 78 HZ2 LYS 78 191.423 11.236 -3.542 587 HZ3 LYS 78 HZ3 LYS 78 191.500 11.709 -5.163 588 H ILE 79 H ILE 79 188.571 6.166 -5.227 589 HA ILE 79 HA ILE 79 186.827 4.187 -6.523 590 HB ILE 79 HB ILE 79 187.187 4.887 -3.638 591 HG12 ILE 79 HG12 ILE 79 186.934 2.175 -3.891 592 HG13 ILE 79 HG13 ILE 79 187.665 2.609 -5.431 593 HG21 ILE 79 HG21 ILE 79 184.781 3.637 -4.924 594 HG22 ILE 79 HG22 ILE 79 184.847 4.962 -3.763 595 HG23 ILE 79 HG23 ILE 79 185.214 3.318 -3.244 596 HD11 ILE 79 HD11 ILE 79 189.601 3.341 -4.459 597 HD12 ILE 79 HD12 ILE 79 189.149 2.016 -3.385 598 HD13 ILE 79 HD13 ILE 79 188.826 3.684 -2.913 599 H TYR 80 H TYR 80 184.670 4.555 -6.810 600 HA TYR 80 HA TYR 80 183.523 7.129 -6.050 601 HB2 TYR 80 HB2 TYR 80 183.493 6.148 -8.917 602 HB3 TYR 80 HB3 TYR 80 182.743 7.621 -8.308 603 HD1 TYR 80 HD1 TYR 80 184.403 9.294 -7.119 604 HD2 TYR 80 HD2 TYR 80 185.586 6.286 -9.882 605 HE1 TYR 80 HE1 TYR 80 186.475 10.538 -7.574 606 HE2 TYR 80 HE2 TYR 80 187.662 7.520 -10.346 607 HH TYR 80 HH TYR 80 189.095 9.185 -9.273 608 H PHE 81 H PHE 81 181.490 6.742 -5.237 609 HA PHE 81 HA PHE 81 179.824 4.709 -6.447 610 HB2 PHE 81 HB2 PHE 81 179.586 3.424 -4.309 611 HB3 PHE 81 HB3 PHE 81 181.145 3.266 -5.080 612 HD1 PHE 81 HD1 PHE 81 182.939 5.053 -4.245 613 HD2 PHE 81 HD2 PHE 81 179.508 3.799 -2.064 614 HE1 PHE 81 HE1 PHE 81 184.006 5.785 -2.153 615 HE2 PHE 81 HE2 PHE 81 180.568 4.528 0.031 616 HZ PHE 81 HZ PHE 81 182.818 5.526 -0.011 617 H TRP 82 H TRP 82 178.032 4.157 -4.726 618 HA TRP 82 HA TRP 82 177.094 6.412 -3.188 619 HB2 TRP 82 HB2 TRP 82 174.957 6.647 -4.351 620 HB3 TRP 82 HB3 TRP 82 176.285 7.002 -5.447 621 HD1 TRP 82 HD1 TRP 82 176.747 5.239 -7.421 622 HE1 TRP 82 HE1 TRP 82 175.217 3.505 -8.538 623 HE3 TRP 82 HE3 TRP 82 173.061 5.016 -3.888 624 HZ2 TRP 82 HZ2 TRP 82 172.770 2.207 -7.999 625 HZ3 TRP 82 HZ3 TRP 82 171.157 3.503 -4.267 626 HH2 TRP 82 HH2 TRP 82 171.016 2.127 -6.280 627 H THR 83 H THR 83 176.077 5.628 -1.418 628 HA THR 83 HA THR 83 175.325 2.775 -1.491 629 HB THR 83 HB THR 83 175.447 2.960 1.025 630 HG1 THR 83 HG1 THR 83 176.885 5.333 0.471 631 HG21 THR 83 HG21 THR 83 177.523 2.178 0.967 632 HG22 THR 83 HG22 THR 83 178.161 3.677 0.292 633 HG23 THR 83 HG23 THR 83 177.456 2.459 -0.772 634 H TYR 84 H TYR 84 173.375 2.081 -0.573 635 HA TYR 84 HA TYR 84 171.407 4.204 -0.062 636 HB2 TYR 84 HB2 TYR 84 171.357 3.042 -2.364 637 HB3 TYR 84 HB3 TYR 84 170.756 1.645 -1.485 638 HD1 TYR 84 HD1 TYR 84 168.654 2.116 0.042 639 HD2 TYR 84 HD2 TYR 84 169.864 4.577 -3.211 640 HE1 TYR 84 HE1 TYR 84 166.376 3.030 -0.113 641 HE2 TYR 84 HE2 TYR 84 167.589 5.495 -3.372 642 HH TYR 84 HH TYR 84 164.947 4.112 -1.989 643 H VAL 85 H VAL 85 169.843 3.755 1.489 644 HA VAL 85 HA VAL 85 170.052 1.166 2.864 645 HB VAL 85 HB VAL 85 170.847 2.090 4.729 646 HG11 VAL 85 HG11 VAL 85 171.934 3.765 3.360 647 HG12 VAL 85 HG12 VAL 85 171.412 4.476 4.888 648 HG13 VAL 85 HG13 VAL 85 170.490 4.779 3.415 649 HG21 VAL 85 HG21 VAL 85 168.569 2.286 5.486 650 HG22 VAL 85 HG22 VAL 85 168.395 3.847 4.684 651 HG23 VAL 85 HG23 VAL 85 169.490 3.678 6.054 652 H ILE 86 H ILE 86 168.136 0.652 4.189 653 HA ILE 86 HA ILE 86 165.697 2.038 3.286 654 HB ILE 86 HB ILE 86 165.973 -0.954 3.589 655 HG12 ILE 86 HG12 ILE 86 167.079 -0.055 1.576 656 HG13 ILE 86 HG13 ILE 86 165.690 -1.071 1.197 657 HG21 ILE 86 HG21 ILE 86 163.666 0.863 3.269 658 HG22 ILE 86 HG22 ILE 86 163.775 -0.707 4.063 659 HG23 ILE 86 HG23 ILE 86 163.647 -0.614 2.305 660 HD11 ILE 86 HD11 ILE 86 164.380 0.757 0.584 661 HD12 ILE 86 HD12 ILE 86 165.958 1.040 -0.147 662 HD13 ILE 86 HD13 ILE 86 165.495 1.909 1.315 663 H LYS 87 H LYS 87 164.687 2.837 4.966 664 HA LYS 87 HA LYS 87 164.890 1.464 7.559 665 HB2 LYS 87 HB2 LYS 87 165.780 3.861 7.282 666 HB3 LYS 87 HB3 LYS 87 164.094 4.343 7.179 667 HG2 LYS 87 HG2 LYS 87 164.604 2.629 9.461 668 HG3 LYS 87 HG3 LYS 87 165.597 4.087 9.478 669 HD2 LYS 87 HD2 LYS 87 162.879 4.700 8.722 670 HD3 LYS 87 HD3 LYS 87 162.924 3.844 10.263 671 HE2 LYS 87 HE2 LYS 87 164.967 5.908 10.051 672 HE3 LYS 87 HE3 LYS 87 163.330 6.544 9.889 673 HZ1 LYS 87 HZ1 LYS 87 162.761 5.855 11.999 674 HZ2 LYS 87 HZ2 LYS 87 164.371 6.325 12.220 675 HZ3 LYS 87 HZ3 LYS 87 163.981 4.684 12.078 676 H ASP 88 H ASP 88 163.115 0.278 6.055 677 HA ASP 88 HA ASP 88 160.954 -0.453 6.070 678 HB2 ASP 88 HB2 ASP 88 161.129 0.467 8.527 679 HB3 ASP 88 HB3 ASP 88 160.096 1.752 7.910 680 H GLY 89 H GLY 89 161.315 0.603 3.869 681 HA2 GLY 89 HA2 GLY 89 160.277 1.646 2.097 682 HA3 GLY 89 HA3 GLY 89 158.958 2.054 3.186 683 H LEU 90 H LEU 90 162.175 2.994 4.029 684 HA LEU 90 HA LEU 90 161.847 5.678 2.929 685 HB2 LEU 90 HB2 LEU 90 162.509 5.407 5.839 686 HB3 LEU 90 HB3 LEU 90 161.932 6.816 4.965 687 HG LEU 90 HG LEU 90 160.233 4.377 5.392 688 HD11 LEU 90 HD11 LEU 90 161.077 5.551 7.530 689 HD12 LEU 90 HD12 LEU 90 159.347 5.261 7.351 690 HD13 LEU 90 HD13 LEU 90 160.007 6.866 7.043 691 HD21 LEU 90 HD21 LEU 90 159.133 7.102 5.076 692 HD22 LEU 90 HD22 LEU 90 158.542 5.558 4.460 693 HD23 LEU 90 HD23 LEU 90 159.884 6.375 3.654 694 H GLY 91 H GLY 91 163.604 4.849 1.669 695 HA2 GLY 91 HA2 GLY 91 166.093 4.446 3.067 696 HA3 GLY 91 HA3 GLY 91 165.798 4.079 1.387 697 H TYR 92 H TYR 92 168.075 5.278 2.117 698 HA TYR 92 HA TYR 92 167.949 7.787 0.671 699 HB2 TYR 92 HB2 TYR 92 169.273 7.718 3.389 700 HB3 TYR 92 HB3 TYR 92 169.062 9.114 2.336 701 HD1 TYR 92 HD1 TYR 92 167.272 6.713 4.508 702 HD2 TYR 92 HD2 TYR 92 167.073 10.404 2.399 703 HE1 TYR 92 HE1 TYR 92 165.164 7.249 5.655 704 HE2 TYR 92 HE2 TYR 92 164.963 10.949 3.542 705 HH TYR 92 HH TYR 92 163.816 9.174 6.230 706 H ARG 93 H ARG 93 170.060 8.346 -0.237 707 HA ARG 93 HA ARG 93 172.046 6.232 0.176 708 HB2 ARG 93 HB2 ARG 93 172.588 6.249 -2.198 709 HB3 ARG 93 HB3 ARG 93 170.895 5.828 -1.928 710 HG2 ARG 93 HG2 ARG 93 170.634 8.468 -2.271 711 HG3 ARG 93 HG3 ARG 93 172.075 8.184 -3.250 712 HD2 ARG 93 HD2 ARG 93 170.946 6.635 -4.633 713 HD3 ARG 93 HD3 ARG 93 169.580 6.529 -3.524 714 HE ARG 93 HE ARG 93 170.041 8.541 -5.531 715 HH11 ARG 93 HH11 ARG 93 168.388 7.781 -2.551 716 HH12 ARG 93 HH12 ARG 93 167.145 8.961 -2.795 717 HH21 ARG 93 HH21 ARG 93 168.409 10.095 -5.850 718 HH22 ARG 93 HH22 ARG 93 167.155 10.274 -4.667 719 H GLN 94 H GLN 94 174.166 6.727 0.039 720 HA GLN 94 HA GLN 94 174.819 9.580 0.186 721 HB2 GLN 94 HB2 GLN 94 175.542 8.218 2.098 722 HB3 GLN 94 HB3 GLN 94 176.416 7.143 1.016 723 HG2 GLN 94 HG2 GLN 94 177.531 9.506 0.354 724 HG3 GLN 94 HG3 GLN 94 177.144 9.796 2.050 725 HE21 GLN 94 HE21 GLN 94 179.747 9.672 0.999 726 HE22 GLN 94 HE22 GLN 94 180.549 8.312 1.702 727 H ASP 95 H ASP 95 174.564 9.709 -2.142 728 HA ASP 95 HA ASP 95 176.393 8.255 -3.821 729 HB2 ASP 95 HB2 ASP 95 175.420 9.626 -5.646 730 HB3 ASP 95 HB3 ASP 95 174.201 8.797 -4.685 731 H ASN 96 H ASN 96 177.476 9.736 -5.597 732 HA ASN 96 HA ASN 96 179.240 11.078 -6.087 733 HB2 ASN 96 HB2 ASN 96 177.611 12.856 -5.611 734 HB3 ASN 96 HB3 ASN 96 178.051 12.803 -3.909 735 HD21 ASN 96 HD21 ASN 96 179.349 13.395 -7.134 736 HD22 ASN 96 HD22 ASN 96 180.549 14.534 -6.639 737 H GLY 97 H GLY 97 179.296 9.080 -3.758 738 HA2 GLY 97 HA2 GLY 97 181.244 10.160 -1.937 739 HA3 GLY 97 HA3 GLY 97 180.711 8.488 -2.024 740 H GLU 98 H GLU 98 183.338 9.041 -1.578 741 HA GLU 98 HA GLU 98 184.553 7.807 -3.893 742 HB2 GLU 98 HB2 GLU 98 186.341 9.457 -4.117 743 HB3 GLU 98 HB3 GLU 98 184.771 10.191 -4.420 744 HG2 GLU 98 HG2 GLU 98 184.992 10.722 -1.812 745 HG3 GLU 98 HG3 GLU 98 186.702 10.665 -2.238 746 H TRP 99 H TRP 99 186.677 6.970 -3.463 747 HA TRP 99 HA TRP 99 187.697 7.072 -0.769 748 HB2 TRP 99 HB2 TRP 99 185.980 5.374 -0.504 749 HB3 TRP 99 HB3 TRP 99 186.588 4.497 -1.903 750 HD1 TRP 99 HD1 TRP 99 188.339 5.779 1.333 751 HE1 TRP 99 HE1 TRP 99 189.724 3.828 2.283 752 HE3 TRP 99 HE3 TRP 99 187.120 2.189 -2.080 753 HZ2 TRP 99 HZ2 TRP 99 190.225 1.128 1.657 754 HZ3 TRP 99 HZ3 TRP 99 188.088 -0.055 -1.839 755 HH2 TRP 99 HH2 TRP 99 189.606 -0.574 -0.006 756 H THR 100 H THR 100 189.748 5.739 -0.592 757 HA THR 100 HA THR 100 191.170 5.857 -3.166 758 HB THR 100 HB THR 100 191.821 7.363 -1.210 759 HG1 THR 100 HG1 THR 100 193.229 6.916 -2.958 760 HG21 THR 100 HG21 THR 100 192.355 6.507 0.763 761 HG22 THR 100 HG22 THR 100 193.631 5.549 0.014 762 HG23 THR 100 HG23 THR 100 192.002 4.883 0.166 763 H VAL 101 H VAL 101 192.980 4.413 -3.462 764 HA VAL 101 HA VAL 101 192.630 1.789 -2.154 765 HB VAL 101 HB VAL 101 193.625 2.186 -4.977 766 HG11 VAL 101 HG11 VAL 101 194.453 0.162 -4.144 767 HG12 VAL 101 HG12 VAL 101 193.006 -0.295 -5.041 768 HG13 VAL 101 HG13 VAL 101 192.960 -0.198 -3.281 769 HG21 VAL 101 HG21 VAL 101 190.866 1.563 -3.957 770 HG22 VAL 101 HG22 VAL 101 191.384 1.172 -5.595 771 HG23 VAL 101 HG23 VAL 101 191.356 2.851 -5.056 772 H THR 102 H THR 102 194.632 4.400 -2.465 773 HA THR 102 HA THR 102 197.176 3.296 -2.859 774 HB THR 102 HB THR 102 196.547 5.686 -1.132 775 HG1 THR 102 HG1 THR 102 195.625 6.397 -2.882 776 HG21 THR 102 HG21 THR 102 198.936 4.825 -1.334 777 HG22 THR 102 HG22 THR 102 198.642 6.526 -1.695 778 HG23 THR 102 HG23 THR 102 198.855 5.370 -3.009 779 H GLU 103 H GLU 103 195.058 2.932 -0.224 780 HA GLU 103 HA GLU 103 197.269 1.834 1.376 781 HB2 GLU 103 HB2 GLU 103 196.064 4.128 2.093 782 HB3 GLU 103 HB3 GLU 103 194.965 2.981 2.847 783 HG2 GLU 103 HG2 GLU 103 196.558 2.204 4.309 784 HG3 GLU 103 HG3 GLU 103 197.900 2.692 3.273 785 H PHE 104 H PHE 104 196.782 0.023 2.646 786 HA PHE 104 HA PHE 104 194.130 -1.168 2.207 787 HB2 PHE 104 HB2 PHE 104 196.786 -2.611 2.036 788 HB3 PHE 104 HB3 PHE 104 195.205 -3.377 1.942 789 HD1 PHE 104 HD1 PHE 104 197.074 -0.592 0.295 790 HD2 PHE 104 HD2 PHE 104 194.428 -3.895 -0.146 791 HE1 PHE 104 HE1 PHE 104 197.064 -0.253 -2.142 792 HE2 PHE 104 HE2 PHE 104 194.414 -3.564 -2.583 793 HZ PHE 104 HZ PHE 104 195.733 -1.742 -3.587 794 H VAL 105 H VAL 105 193.610 -2.870 3.819 795 HA VAL 105 HA VAL 105 194.991 -2.347 6.365 796 HB VAL 105 HB VAL 105 192.937 -2.607 7.578 797 HG11 VAL 105 HG11 VAL 105 193.533 -0.451 6.155 798 HG12 VAL 105 HG12 VAL 105 192.057 -0.561 7.114 799 HG13 VAL 105 HG13 VAL 105 192.003 -0.850 5.374 800 HG21 VAL 105 HG21 VAL 105 190.798 -3.034 6.508 801 HG22 VAL 105 HG22 VAL 105 191.924 -4.340 6.136 802 HG23 VAL 105 HG23 VAL 105 191.574 -3.104 4.926 803 H ASN 106 H ASN 106 195.125 -4.044 7.849 804 HA ASN 106 HA ASN 106 195.669 -6.589 6.659 805 HB2 ASN 106 HB2 ASN 106 196.832 -5.333 8.657 806 HB3 ASN 106 HB3 ASN 106 195.602 -6.157 9.609 807 HD21 ASN 106 HD21 ASN 106 196.983 -7.490 10.679 808 HD22 ASN 106 HD22 ASN 106 197.857 -8.766 9.912 809 H GLU 107 H GLU 107 194.808 -8.608 7.317 810 HA GLU 107 HA GLU 107 192.015 -8.737 7.390 811 HB2 GLU 107 HB2 GLU 107 194.244 -10.651 7.832 812 HB3 GLU 107 HB3 GLU 107 192.680 -11.108 8.498 813 HG2 GLU 107 HG2 GLU 107 191.663 -10.894 6.299 814 HG3 GLU 107 HG3 GLU 107 193.213 -10.392 5.622 815 H ASP 108 H ASP 108 194.303 -7.956 9.764 816 HA ASP 108 HA ASP 108 192.827 -8.779 12.080 817 HB2 ASP 108 HB2 ASP 108 195.247 -7.092 11.569 818 HB3 ASP 108 HB3 ASP 108 194.443 -6.972 13.132 819 H GLY 109 H GLY 109 192.954 -5.937 10.022 820 HA2 GLY 109 HA2 GLY 109 190.842 -4.661 9.966 821 HA3 GLY 109 HA3 GLY 109 190.843 -4.743 11.719 822 H THR 110 H THR 110 193.931 -4.220 10.321 823 HA THR 110 HA THR 110 193.629 -1.314 10.617 824 HB THR 110 HB THR 110 195.495 -1.047 11.967 825 HG1 THR 110 HG1 THR 110 197.066 -2.572 12.245 826 HG21 THR 110 HG21 THR 110 193.884 -1.838 13.455 827 HG22 THR 110 HG22 THR 110 195.328 -2.784 13.821 828 HG23 THR 110 HG23 THR 110 194.025 -3.496 12.870 829 HA PRO 111 HA PRO 111 195.718 -0.619 6.908 830 HB2 PRO 111 HB2 PRO 111 197.771 0.918 8.435 831 HB3 PRO 111 HB3 PRO 111 196.822 1.404 7.025 832 HG2 PRO 111 HG2 PRO 111 196.209 2.301 9.463 833 HG3 PRO 111 HG3 PRO 111 194.942 1.890 8.293 834 HD2 PRO 111 HD2 PRO 111 195.854 0.384 10.699 835 HD3 PRO 111 HD3 PRO 111 194.239 0.496 9.993 836 H ALA 112 H ALA 112 196.958 -1.902 5.766 837 HA ALA 112 HA ALA 112 199.015 -3.474 7.068 838 HB1 ALA 112 HB1 ALA 112 198.540 -3.820 4.182 839 HB2 ALA 112 HB2 ALA 112 197.169 -4.158 5.239 840 HB3 ALA 112 HB3 ALA 112 198.690 -5.024 5.462 841 H ASP 113 H ASP 113 200.911 -2.472 7.284 842 HA ASP 113 HA ASP 113 202.806 -1.315 6.837 843 HB2 ASP 113 HB2 ASP 113 203.450 -3.099 5.524 844 HB3 ASP 113 HB3 ASP 113 202.169 -2.833 4.355 845 H THR 114 H THR 114 203.833 0.422 5.470 846 HA THR 114 HA THR 114 203.761 2.588 4.779 847 HB THR 114 HB THR 114 201.971 2.916 2.862 848 HG1 THR 114 HG1 THR 114 201.454 0.909 1.918 849 HG21 THR 114 HG21 THR 114 203.448 1.639 1.276 850 HG22 THR 114 HG22 THR 114 204.395 1.160 2.685 851 HG23 THR 114 HG23 THR 114 204.245 2.865 2.262 852 H SER 115 H SER 115 202.585 2.472 7.135 853 HA SER 115 HA SER 115 200.622 4.571 6.996 854 HB2 SER 115 HB2 SER 115 198.788 3.474 7.979 855 HB3 SER 115 HB3 SER 115 199.367 2.320 6.779 856 HG SER 115 HG SER 115 199.238 2.084 9.480 857 H LEU 116 H LEU 116 199.834 5.058 9.351 858 HA LEU 116 HA LEU 116 201.489 4.291 11.517 859 HB2 LEU 116 HB2 LEU 116 202.721 6.348 11.866 860 HB3 LEU 116 HB3 LEU 116 203.139 5.644 10.316 861 HG LEU 116 HG LEU 116 201.001 7.702 10.320 862 HD11 LEU 116 HD11 LEU 116 202.292 9.077 11.566 863 HD12 LEU 116 HD12 LEU 116 203.119 9.311 10.026 864 HD13 LEU 116 HD13 LEU 116 203.773 8.186 11.217 865 HD21 LEU 116 HD21 LEU 116 201.574 7.942 8.148 866 HD22 LEU 116 HD22 LEU 116 202.250 6.330 8.379 867 HD23 LEU 116 HD23 LEU 116 203.298 7.747 8.467 868 H GLU 117 H GLU 117 198.796 4.351 11.279 869 HA GLU 117 HA GLU 117 197.684 6.784 12.326 870 HB2 GLU 117 HB2 GLU 117 196.686 4.212 11.361 871 HB3 GLU 117 HB3 GLU 117 195.793 4.812 12.751 872 HG2 GLU 117 HG2 GLU 117 194.867 6.503 11.597 873 HG3 GLU 117 HG3 GLU 117 196.317 6.783 10.633 874 HA PRO 118 HA PRO 118 198.191 6.058 16.643 875 HB2 PRO 118 HB2 PRO 118 195.915 7.123 17.667 876 HB3 PRO 118 HB3 PRO 118 197.222 8.112 17.005 877 HG2 PRO 118 HG2 PRO 118 194.652 7.266 15.725 878 HG3 PRO 118 HG3 PRO 118 195.447 8.850 15.694 879 HD2 PRO 118 HD2 PRO 118 195.609 7.100 13.635 880 HD3 PRO 118 HD3 PRO 118 196.928 8.216 14.045 Start of MODEL 16 1 H GLN 6 H GLN 6 161.942 14.221 8.693 2 HA GLN 6 HA GLN 6 163.042 12.161 7.956 3 HB2 GLN 6 HB2 GLN 6 163.259 14.883 6.795 4 HB3 GLN 6 HB3 GLN 6 164.207 13.625 6.014 5 HG2 GLN 6 HG2 GLN 6 161.641 12.554 6.429 6 HG3 GLN 6 HG3 GLN 6 161.416 14.185 5.799 7 HE21 GLN 6 HE21 GLN 6 160.836 13.811 3.751 8 HE22 GLN 6 HE22 GLN 6 161.778 12.932 2.599 9 H TYR 7 H TYR 7 164.788 10.937 8.233 10 HA TYR 7 HA TYR 7 167.167 11.984 9.422 11 HB2 TYR 7 HB2 TYR 7 166.277 9.702 9.862 12 HB3 TYR 7 HB3 TYR 7 166.729 9.237 8.233 13 HD1 TYR 7 HD1 TYR 7 168.324 10.920 11.173 14 HD2 TYR 7 HD2 TYR 7 168.678 8.017 8.082 15 HE1 TYR 7 HE1 TYR 7 170.561 10.320 12.000 16 HE2 TYR 7 HE2 TYR 7 170.916 7.409 8.901 17 HH TYR 7 HH TYR 7 172.065 8.199 11.873 18 H VAL 8 H VAL 8 169.317 11.142 8.442 19 HA VAL 8 HA VAL 8 169.382 11.897 5.594 20 HB VAL 8 HB VAL 8 171.552 12.463 7.612 21 HG11 VAL 8 HG11 VAL 8 172.173 14.121 5.724 22 HG12 VAL 8 HG12 VAL 8 171.172 13.082 4.709 23 HG13 VAL 8 HG13 VAL 8 172.581 12.415 5.536 24 HG21 VAL 8 HG21 VAL 8 170.637 14.903 6.950 25 HG22 VAL 8 HG22 VAL 8 170.082 14.006 8.364 26 HG23 VAL 8 HG23 VAL 8 169.133 13.983 6.877 27 H VAL 9 H VAL 9 171.255 11.073 4.400 28 HA VAL 9 HA VAL 9 171.551 8.290 4.691 29 HB VAL 9 HB VAL 9 173.404 10.067 3.117 30 HG11 VAL 9 HG11 VAL 9 173.537 7.420 3.509 31 HG12 VAL 9 HG12 VAL 9 174.064 8.214 2.028 32 HG13 VAL 9 HG13 VAL 9 172.471 7.461 2.105 33 HG21 VAL 9 HG21 VAL 9 170.946 8.918 1.891 34 HG22 VAL 9 HG22 VAL 9 171.896 10.317 1.404 35 HG23 VAL 9 HG23 VAL 9 170.821 10.420 2.795 36 HA PRO 10 HA PRO 10 174.867 8.163 7.701 37 HB2 PRO 10 HB2 PRO 10 175.640 5.575 7.206 38 HB3 PRO 10 HB3 PRO 10 174.282 6.021 8.239 39 HG2 PRO 10 HG2 PRO 10 174.282 5.110 5.394 40 HG3 PRO 10 HG3 PRO 10 173.164 4.691 6.705 41 HD2 PRO 10 HD2 PRO 10 172.526 6.483 4.796 42 HD3 PRO 10 HD3 PRO 10 171.956 6.645 6.469 43 H SER 11 H SER 11 177.196 6.940 7.542 44 HA SER 11 HA SER 11 178.421 7.956 5.076 45 HB2 SER 11 HB2 SER 11 178.918 9.066 7.340 46 HB3 SER 11 HB3 SER 11 179.855 7.617 7.690 47 HG SER 11 HG SER 11 181.094 9.346 6.747 48 H ALA 12 H ALA 12 179.024 6.380 3.745 49 HA ALA 12 HA ALA 12 179.657 3.750 4.795 50 HB1 ALA 12 HB1 ALA 12 179.528 2.968 2.571 51 HB2 ALA 12 HB2 ALA 12 179.717 4.593 1.912 52 HB3 ALA 12 HB3 ALA 12 178.230 4.149 2.749 53 H LYS 13 H LYS 13 181.632 3.524 5.619 54 HA LYS 13 HA LYS 13 183.910 4.861 4.381 55 HB2 LYS 13 HB2 LYS 13 183.259 4.046 7.018 56 HB3 LYS 13 HB3 LYS 13 184.664 3.108 6.527 57 HG2 LYS 13 HG2 LYS 13 185.690 5.326 5.812 58 HG3 LYS 13 HG3 LYS 13 184.384 6.086 6.726 59 HD2 LYS 13 HD2 LYS 13 185.125 5.158 8.757 60 HD3 LYS 13 HD3 LYS 13 186.168 3.994 7.939 61 HE2 LYS 13 HE2 LYS 13 187.700 5.694 7.298 62 HE3 LYS 13 HE3 LYS 13 186.586 6.971 7.785 63 HZ1 LYS 13 HZ1 LYS 13 187.347 5.087 9.861 64 HZ2 LYS 13 HZ2 LYS 13 187.152 6.764 9.939 65 HZ3 LYS 13 HZ3 LYS 13 188.579 6.108 9.310 66 H LEU 14 H LEU 14 185.927 3.549 4.006 67 HA LEU 14 HA LEU 14 185.440 0.743 3.399 68 HB2 LEU 14 HB2 LEU 14 186.511 2.570 1.263 69 HB3 LEU 14 HB3 LEU 14 186.067 0.881 1.108 70 HG LEU 14 HG LEU 14 183.678 1.739 1.757 71 HD11 LEU 14 HD11 LEU 14 184.934 4.117 1.967 72 HD12 LEU 14 HD12 LEU 14 183.221 3.935 1.589 73 HD13 LEU 14 HD13 LEU 14 184.388 4.187 0.292 74 HD21 LEU 14 HD21 LEU 14 183.546 2.489 -0.810 75 HD22 LEU 14 HD22 LEU 14 183.685 0.805 -0.303 76 HD23 LEU 14 HD23 LEU 14 185.120 1.691 -0.820 77 H GLU 15 H GLU 15 187.372 -0.437 2.817 78 HA GLU 15 HA GLU 15 189.934 0.833 3.337 79 HB2 GLU 15 HB2 GLU 15 188.900 -1.467 5.008 80 HB3 GLU 15 HB3 GLU 15 190.554 -0.874 5.028 81 HG2 GLU 15 HG2 GLU 15 188.103 0.675 5.835 82 HG3 GLU 15 HG3 GLU 15 189.301 -0.028 6.921 83 H ALA 16 H ALA 16 191.634 -0.214 2.307 84 HA ALA 16 HA ALA 16 190.837 -2.256 0.397 85 HB1 ALA 16 HB1 ALA 16 192.594 -0.143 0.286 86 HB2 ALA 16 HB2 ALA 16 192.465 -1.447 -0.894 87 HB3 ALA 16 HB3 ALA 16 193.658 -1.544 0.400 88 H ILE 17 H ILE 17 190.713 -4.255 1.204 89 HA ILE 17 HA ILE 17 192.408 -5.239 3.278 90 HB ILE 17 HB ILE 17 190.656 -6.828 1.396 91 HG12 ILE 17 HG12 ILE 17 189.350 -5.097 2.519 92 HG13 ILE 17 HG13 ILE 17 188.953 -6.682 3.176 93 HG21 ILE 17 HG21 ILE 17 190.607 -8.230 3.646 94 HG22 ILE 17 HG22 ILE 17 192.184 -7.468 3.860 95 HG23 ILE 17 HG23 ILE 17 191.868 -8.454 2.432 96 HD11 ILE 17 HD11 ILE 17 190.969 -5.818 4.827 97 HD12 ILE 17 HD12 ILE 17 189.240 -5.743 5.167 98 HD13 ILE 17 HD13 ILE 17 190.065 -4.343 4.483 99 H TYR 18 H TYR 18 194.064 -6.751 3.167 100 HA TYR 18 HA TYR 18 195.371 -6.944 0.542 101 HB2 TYR 18 HB2 TYR 18 196.397 -6.060 2.917 102 HB3 TYR 18 HB3 TYR 18 196.910 -7.744 2.922 103 HD1 TYR 18 HD1 TYR 18 196.810 -4.828 0.584 104 HD2 TYR 18 HD2 TYR 18 198.951 -8.233 1.965 105 HE1 TYR 18 HE1 TYR 18 198.675 -4.253 -0.911 106 HE2 TYR 18 HE2 TYR 18 200.824 -7.669 0.475 107 HH TYR 18 HH TYR 18 200.923 -6.216 -1.887 108 HA PRO 19 HA PRO 19 196.800 -7.968 -0.431 109 HB2 PRO 19 HB2 PRO 19 197.270 -9.779 -2.329 110 HB3 PRO 19 HB3 PRO 19 198.096 -9.865 -0.769 111 HG2 PRO 19 HG2 PRO 19 195.833 -11.494 -1.806 112 HG3 PRO 19 HG3 PRO 19 197.160 -11.967 -0.733 113 HD2 PRO 19 HD2 PRO 19 194.538 -11.261 0.036 114 HD3 PRO 19 HD3 PRO 19 195.933 -11.464 1.106 115 H ARG 20 H ARG 20 193.752 -9.403 -0.774 116 HA ARG 20 HA ARG 20 192.970 -7.520 -2.748 117 HB2 ARG 20 HB2 ARG 20 192.009 -9.369 -4.252 118 HB3 ARG 20 HB3 ARG 20 193.729 -9.025 -4.371 119 HG2 ARG 20 HG2 ARG 20 194.323 -11.041 -3.572 120 HG3 ARG 20 HG3 ARG 20 192.985 -11.100 -2.423 121 HD2 ARG 20 HD2 ARG 20 192.150 -12.654 -3.811 122 HD3 ARG 20 HD3 ARG 20 191.661 -11.272 -4.788 123 HE ARG 20 HE ARG 20 193.769 -13.162 -5.366 124 HH11 ARG 20 HH11 ARG 20 192.410 -10.025 -6.079 125 HH12 ARG 20 HH12 ARG 20 193.166 -9.914 -7.633 126 HH21 ARG 20 HH21 ARG 20 194.760 -13.015 -7.410 127 HH22 ARG 20 HH22 ARG 20 194.497 -11.611 -8.389 128 H GLY 21 H GLY 21 191.459 -6.803 -1.303 129 HA2 GLY 21 HA2 GLY 21 189.040 -8.349 -1.149 130 HA3 GLY 21 HA3 GLY 21 189.825 -8.139 0.399 131 H LEU 22 H LEU 22 187.731 -7.053 0.885 132 HA LEU 22 HA LEU 22 188.054 -4.198 0.578 133 HB2 LEU 22 HB2 LEU 22 186.816 -4.559 -1.410 134 HB3 LEU 22 HB3 LEU 22 185.727 -5.682 -0.618 135 HG LEU 22 HG LEU 22 184.736 -3.842 0.663 136 HD11 LEU 22 HD11 LEU 22 187.058 -2.510 0.228 137 HD12 LEU 22 HD12 LEU 22 185.554 -1.754 0.756 138 HD13 LEU 22 HD13 LEU 22 185.996 -1.739 -0.950 139 HD21 LEU 22 HD21 LEU 22 184.763 -2.979 -2.206 140 HD22 LEU 22 HD22 LEU 22 183.423 -2.994 -1.058 141 HD23 LEU 22 HD23 LEU 22 184.031 -4.511 -1.724 142 H ARG 23 H ARG 23 186.999 -3.007 2.158 143 HA ARG 23 HA ARG 23 185.293 -4.455 4.049 144 HB2 ARG 23 HB2 ARG 23 187.971 -4.013 4.582 145 HB3 ARG 23 HB3 ARG 23 187.178 -2.672 5.394 146 HG2 ARG 23 HG2 ARG 23 186.348 -5.534 5.776 147 HG3 ARG 23 HG3 ARG 23 187.561 -4.736 6.779 148 HD2 ARG 23 HD2 ARG 23 185.413 -2.968 6.729 149 HD3 ARG 23 HD3 ARG 23 184.672 -4.560 6.873 150 HE ARG 23 HE ARG 23 185.528 -4.737 8.994 151 HH11 ARG 23 HH11 ARG 23 187.072 -2.068 7.357 152 HH12 ARG 23 HH12 ARG 23 187.856 -1.483 8.785 153 HH21 ARG 23 HH21 ARG 23 186.559 -3.967 10.873 154 HH22 ARG 23 HH22 ARG 23 187.566 -2.561 10.782 155 H VAL 24 H VAL 24 183.497 -3.278 3.530 156 HA VAL 24 HA VAL 24 183.660 -0.353 3.809 157 HB VAL 24 HB VAL 24 181.470 -1.989 2.523 158 HG11 VAL 24 HG11 VAL 24 181.957 0.985 2.429 159 HG12 VAL 24 HG12 VAL 24 180.753 0.192 3.444 160 HG13 VAL 24 HG13 VAL 24 180.619 0.106 1.688 161 HG21 VAL 24 HG21 VAL 24 182.407 -0.935 0.407 162 HG22 VAL 24 HG22 VAL 24 183.345 -2.241 1.130 163 HG23 VAL 24 HG23 VAL 24 183.844 -0.566 1.360 164 H SER 25 H SER 25 182.063 0.757 5.049 165 HA SER 25 HA SER 25 180.235 -0.792 6.674 166 HB2 SER 25 HB2 SER 25 181.924 0.967 8.337 167 HB3 SER 25 HB3 SER 25 181.259 -0.627 8.692 168 HG SER 25 HG SER 25 183.422 -0.926 8.504 169 H ILE 26 H ILE 26 178.564 0.386 7.535 170 HA ILE 26 HA ILE 26 178.572 3.311 7.140 171 HB ILE 26 HB ILE 26 176.214 3.171 6.333 172 HG12 ILE 26 HG12 ILE 26 176.140 0.607 5.208 173 HG13 ILE 26 HG13 ILE 26 176.670 0.361 6.869 174 HG21 ILE 26 HG21 ILE 26 177.655 3.643 4.613 175 HG22 ILE 26 HG22 ILE 26 176.911 2.155 4.030 176 HG23 ILE 26 HG23 ILE 26 178.515 2.110 4.764 177 HD11 ILE 26 HD11 ILE 26 174.309 2.092 6.292 178 HD12 ILE 26 HD12 ILE 26 174.704 1.181 7.749 179 HD13 ILE 26 HD13 ILE 26 174.148 0.337 6.305 180 HA PRO 27 HA PRO 27 176.980 3.073 11.318 181 HB2 PRO 27 HB2 PRO 27 176.009 5.634 11.469 182 HB3 PRO 27 HB3 PRO 27 177.709 5.210 11.694 183 HG2 PRO 27 HG2 PRO 27 176.329 6.287 9.272 184 HG3 PRO 27 HG3 PRO 27 177.917 6.709 9.937 185 HD2 PRO 27 HD2 PRO 27 177.639 5.071 7.810 186 HD3 PRO 27 HD3 PRO 27 178.937 4.855 9.003 187 H ASP 28 H ASP 28 175.245 1.733 11.293 188 HA ASP 28 HA ASP 28 172.866 2.229 9.834 189 HB2 ASP 28 HB2 ASP 28 173.530 -0.042 10.391 190 HB3 ASP 28 HB3 ASP 28 173.414 0.317 12.109 191 H ASP 29 H ASP 29 170.750 2.487 10.704 192 HA ASP 29 HA ASP 29 170.491 3.643 13.354 193 HB2 ASP 29 HB2 ASP 29 169.520 5.158 10.922 194 HB3 ASP 29 HB3 ASP 29 169.433 5.678 12.601 195 H GLY 30 H GLY 30 169.668 1.210 12.416 196 HA2 GLY 30 HA2 GLY 30 167.805 -0.105 12.683 197 HA3 GLY 30 HA3 GLY 30 166.868 1.355 12.890 198 H PHE 31 H PHE 31 168.887 0.313 10.163 199 HA PHE 31 HA PHE 31 166.713 0.933 8.350 200 HB2 PHE 31 HB2 PHE 31 169.392 -0.220 7.588 201 HB3 PHE 31 HB3 PHE 31 168.275 0.677 6.570 202 HD1 PHE 31 HD1 PHE 31 167.666 2.908 8.531 203 HD2 PHE 31 HD2 PHE 31 171.322 1.092 7.334 204 HE1 PHE 31 HE1 PHE 31 168.864 4.992 9.047 205 HE2 PHE 31 HE2 PHE 31 172.527 3.171 7.851 206 HZ PHE 31 HZ PHE 31 171.300 5.126 8.710 207 H SER 32 H SER 32 166.924 -0.737 6.343 208 HA SER 32 HA SER 32 166.541 -3.448 7.379 209 HB2 SER 32 HB2 SER 32 164.382 -1.977 6.874 210 HB3 SER 32 HB3 SER 32 164.715 -2.494 5.221 211 HG SER 32 HG SER 32 164.824 -4.687 6.199 212 H LEU 33 H LEU 33 167.507 -1.303 4.783 213 HA LEU 33 HA LEU 33 168.794 -3.617 3.511 214 HB2 LEU 33 HB2 LEU 33 166.546 -2.918 2.364 215 HB3 LEU 33 HB3 LEU 33 167.502 -1.591 1.750 216 HG LEU 33 HG LEU 33 169.136 -3.302 0.867 217 HD11 LEU 33 HD11 LEU 33 166.966 -5.301 0.825 218 HD12 LEU 33 HD12 LEU 33 167.810 -5.086 2.359 219 HD13 LEU 33 HD13 LEU 33 168.714 -5.517 0.908 220 HD21 LEU 33 HD21 LEU 33 168.124 -3.213 -1.147 221 HD22 LEU 33 HD22 LEU 33 167.049 -2.100 -0.300 222 HD23 LEU 33 HD23 LEU 33 166.577 -3.784 -0.522 223 H PHE 34 H PHE 34 170.816 -3.241 2.957 224 HA PHE 34 HA PHE 34 171.708 -0.453 2.649 225 HB2 PHE 34 HB2 PHE 34 172.626 -1.314 4.691 226 HB3 PHE 34 HB3 PHE 34 173.118 -2.800 3.908 227 HD1 PHE 34 HD1 PHE 34 173.577 0.573 2.491 228 HD2 PHE 34 HD2 PHE 34 175.423 -2.740 4.424 229 HE1 PHE 34 HE1 PHE 34 175.789 1.530 2.012 230 HE2 PHE 34 HE2 PHE 34 177.641 -1.787 3.947 231 HZ PHE 34 HZ PHE 34 177.826 0.351 2.737 232 H ALA 35 H ALA 35 171.518 -0.460 0.404 233 HA ALA 35 HA ALA 35 172.888 -2.520 -1.125 234 HB1 ALA 35 HB1 ALA 35 171.843 -0.340 -2.705 235 HB2 ALA 35 HB2 ALA 35 170.630 -0.960 -1.586 236 HB3 ALA 35 HB3 ALA 35 171.416 -2.051 -2.726 237 H PHE 36 H PHE 36 174.809 -2.283 -2.094 238 HA PHE 36 HA PHE 36 176.076 0.372 -1.960 239 HB2 PHE 36 HB2 PHE 36 177.050 -1.429 -0.473 240 HB3 PHE 36 HB3 PHE 36 177.522 -2.279 -1.941 241 HD1 PHE 36 HD1 PHE 36 179.290 -1.423 -3.361 242 HD2 PHE 36 HD2 PHE 36 178.171 0.587 0.219 243 HE1 PHE 36 HE1 PHE 36 181.368 -0.110 -3.453 244 HE2 PHE 36 HE2 PHE 36 180.246 1.905 0.134 245 HZ PHE 36 HZ PHE 36 181.849 1.557 -1.705 246 H HIS 37 H HIS 37 176.642 1.270 -3.818 247 HA HIS 37 HA HIS 37 177.025 -0.416 -6.195 248 HB2 HIS 37 HB2 HIS 37 175.049 1.593 -5.664 249 HB3 HIS 37 HB3 HIS 37 176.125 2.167 -6.919 250 HD1 HIS 37 HD1 HIS 37 175.363 -1.471 -6.679 251 HD2 HIS 37 HD2 HIS 37 174.106 1.825 -8.868 252 HE1 HIS 37 HE1 HIS 37 173.972 -2.403 -8.554 253 HE2 HIS 37 HE2 HIS 37 173.153 -0.384 -9.818 254 H GLY 38 H GLY 38 179.150 -0.165 -6.873 255 HA2 GLY 38 HA2 GLY 38 180.231 2.559 -6.824 256 HA3 GLY 38 HA3 GLY 38 181.063 1.376 -5.837 257 H LYS 39 H LYS 39 181.689 3.019 -8.314 258 HA LYS 39 HA LYS 39 182.625 0.817 -10.026 259 HB2 LYS 39 HB2 LYS 39 181.197 3.036 -10.764 260 HB3 LYS 39 HB3 LYS 39 182.848 3.556 -11.073 261 HG2 LYS 39 HG2 LYS 39 183.216 1.716 -12.561 262 HG3 LYS 39 HG3 LYS 39 181.654 1.010 -12.143 263 HD2 LYS 39 HD2 LYS 39 180.857 3.451 -12.947 264 HD3 LYS 39 HD3 LYS 39 182.305 3.265 -13.938 265 HE2 LYS 39 HE2 LYS 39 181.388 1.637 -15.203 266 HE3 LYS 39 HE3 LYS 39 180.532 0.918 -13.840 267 HZ1 LYS 39 HZ1 LYS 39 179.099 1.942 -15.596 268 HZ2 LYS 39 HZ2 LYS 39 179.687 3.455 -15.119 269 HZ3 LYS 39 HZ3 LYS 39 178.812 2.507 -14.025 270 H LEU 40 H LEU 40 184.789 0.770 -10.674 271 HA LEU 40 HA LEU 40 186.588 2.247 -8.894 272 HB2 LEU 40 HB2 LEU 40 186.615 -0.302 -9.121 273 HB3 LEU 40 HB3 LEU 40 187.348 -0.041 -10.691 274 HG LEU 40 HG LEU 40 189.179 1.235 -9.525 275 HD11 LEU 40 HD11 LEU 40 189.177 1.592 -7.328 276 HD12 LEU 40 HD12 LEU 40 188.705 -0.070 -6.974 277 HD13 LEU 40 HD13 LEU 40 187.476 1.134 -7.363 278 HD21 LEU 40 HD21 LEU 40 188.664 -1.682 -9.166 279 HD22 LEU 40 HD22 LEU 40 190.102 -0.956 -8.448 280 HD23 LEU 40 HD23 LEU 40 189.845 -0.865 -10.190 281 H ASN 41 H ASN 41 187.855 3.825 -9.607 282 HA ASN 41 HA ASN 41 188.856 5.332 -10.984 283 HB2 ASN 41 HB2 ASN 41 189.857 2.910 -11.664 284 HB3 ASN 41 HB3 ASN 41 189.181 3.408 -13.213 285 HD21 ASN 41 HD21 ASN 41 191.310 3.491 -14.035 286 HD22 ASN 41 HD22 ASN 41 192.341 4.834 -13.695 287 H GLU 42 H GLU 42 186.276 5.748 -11.057 288 HA GLU 42 HA GLU 42 185.755 7.061 -13.419 289 HB2 GLU 42 HB2 GLU 42 185.567 4.859 -14.483 290 HB3 GLU 42 HB3 GLU 42 184.347 4.386 -13.306 291 HG2 GLU 42 HG2 GLU 42 182.864 6.136 -14.131 292 HG3 GLU 42 HG3 GLU 42 184.087 6.623 -15.301 293 H GLU 43 H GLU 43 184.715 8.639 -12.469 294 HA GLU 43 HA GLU 43 183.212 8.505 -10.138 295 HB2 GLU 43 HB2 GLU 43 182.852 10.549 -12.327 296 HB3 GLU 43 HB3 GLU 43 182.472 10.745 -10.620 297 HG2 GLU 43 HG2 GLU 43 184.806 10.620 -10.048 298 HG3 GLU 43 HG3 GLU 43 185.218 10.297 -11.722 299 H MET 44 H MET 44 180.855 9.695 -10.412 300 HA MET 44 HA MET 44 179.253 7.944 -12.134 301 HB2 MET 44 HB2 MET 44 178.786 8.618 -9.235 302 HB3 MET 44 HB3 MET 44 177.563 7.894 -10.272 303 HG2 MET 44 HG2 MET 44 179.847 6.326 -10.596 304 HG3 MET 44 HG3 MET 44 179.737 6.663 -8.871 305 HE1 MET 44 HE1 MET 44 179.662 4.400 -8.377 306 HE2 MET 44 HE2 MET 44 179.109 3.321 -9.657 307 HE3 MET 44 HE3 MET 44 178.157 3.500 -8.181 308 H ASP 45 H ASP 45 177.146 8.733 -12.624 309 HA ASP 45 HA ASP 45 176.391 11.430 -12.046 310 HB2 ASP 45 HB2 ASP 45 178.220 11.476 -13.870 311 HB3 ASP 45 HB3 ASP 45 176.981 10.827 -14.929 312 H GLY 46 H GLY 46 175.180 9.037 -11.592 313 HA2 GLY 46 HA2 GLY 46 172.626 9.151 -12.101 314 HA3 GLY 46 HA3 GLY 46 173.221 8.587 -13.654 315 H LEU 47 H LEU 47 171.832 7.493 -10.975 316 HA LEU 47 HA LEU 47 173.165 5.487 -9.816 317 HB2 LEU 47 HB2 LEU 47 170.351 5.302 -10.874 318 HB3 LEU 47 HB3 LEU 47 171.039 4.286 -9.626 319 HG LEU 47 HG LEU 47 171.128 7.219 -9.186 320 HD11 LEU 47 HD11 LEU 47 168.877 6.980 -9.990 321 HD12 LEU 47 HD12 LEU 47 168.837 7.152 -8.236 322 HD13 LEU 47 HD13 LEU 47 168.617 5.564 -8.972 323 HD21 LEU 47 HD21 LEU 47 172.043 5.368 -7.669 324 HD22 LEU 47 HD22 LEU 47 170.357 5.042 -7.270 325 HD23 LEU 47 HD23 LEU 47 171.053 6.626 -6.929 326 H GLU 48 H GLU 48 174.751 4.582 -11.101 327 HA GLU 48 HA GLU 48 173.825 2.787 -13.241 328 HB2 GLU 48 HB2 GLU 48 176.480 4.140 -12.777 329 HB3 GLU 48 HB3 GLU 48 176.276 2.829 -13.930 330 HG2 GLU 48 HG2 GLU 48 174.353 5.026 -14.201 331 HG3 GLU 48 HG3 GLU 48 176.032 5.454 -14.521 332 H ALA 49 H ALA 49 174.717 0.683 -13.374 333 HA ALA 49 HA ALA 49 174.796 -0.741 -11.015 334 HB1 ALA 49 HB1 ALA 49 175.316 -2.633 -12.292 335 HB2 ALA 49 HB2 ALA 49 176.162 -1.681 -13.511 336 HB3 ALA 49 HB3 ALA 49 174.406 -1.584 -13.378 337 H GLY 50 H GLY 50 177.340 1.030 -12.532 338 HA2 GLY 50 HA2 GLY 50 179.596 1.216 -12.100 339 HA3 GLY 50 HA3 GLY 50 179.086 1.042 -10.428 340 H HIS 51 H HIS 51 180.116 -0.500 -9.373 341 HA HIS 51 HA HIS 51 180.766 -2.982 -10.783 342 HB2 HIS 51 HB2 HIS 51 182.651 -1.087 -9.763 343 HB3 HIS 51 HB3 HIS 51 182.768 -2.564 -8.813 344 HD1 HIS 51 HD1 HIS 51 185.058 -1.680 -10.678 345 HD2 HIS 51 HD2 HIS 51 182.035 -4.314 -11.770 346 HE1 HIS 51 HE1 HIS 51 185.998 -3.032 -12.578 347 HE2 HIS 51 HE2 HIS 51 184.183 -4.676 -13.166 348 H TRP 52 H TRP 52 181.442 -1.919 -7.472 349 HA TRP 52 HA TRP 52 180.523 -4.311 -6.314 350 HB2 TRP 52 HB2 TRP 52 180.936 -1.559 -5.128 351 HB3 TRP 52 HB3 TRP 52 180.547 -2.985 -4.169 352 HD1 TRP 52 HD1 TRP 52 182.432 -5.037 -4.321 353 HE1 TRP 52 HE1 TRP 52 184.993 -4.852 -4.465 354 HE3 TRP 52 HE3 TRP 52 182.809 -0.201 -5.935 355 HZ2 TRP 52 HZ2 TRP 52 186.922 -2.912 -5.167 356 HZ3 TRP 52 HZ3 TRP 52 185.048 0.743 -6.320 357 HH2 TRP 52 HH2 TRP 52 187.062 -0.586 -5.941 358 H ALA 53 H ALA 53 178.484 -4.806 -7.064 359 HA ALA 53 HA ALA 53 176.305 -3.037 -6.176 360 HB1 ALA 53 HB1 ALA 53 174.969 -4.148 -8.022 361 HB2 ALA 53 HB2 ALA 53 176.507 -4.776 -8.618 362 HB3 ALA 53 HB3 ALA 53 176.238 -3.034 -8.532 363 H ARG 54 H ARG 54 176.112 -4.056 -4.140 364 HA ARG 54 HA ARG 54 174.740 -6.627 -4.276 365 HB2 ARG 54 HB2 ARG 54 177.149 -7.035 -3.850 366 HB3 ARG 54 HB3 ARG 54 177.023 -6.087 -2.382 367 HG2 ARG 54 HG2 ARG 54 174.979 -8.056 -2.324 368 HG3 ARG 54 HG3 ARG 54 176.493 -8.848 -2.765 369 HD2 ARG 54 HD2 ARG 54 177.571 -8.083 -0.799 370 HD3 ARG 54 HD3 ARG 54 176.260 -6.963 -0.432 371 HE ARG 54 HE ARG 54 175.244 -9.581 -0.496 372 HH11 ARG 54 HH11 ARG 54 177.317 -7.557 1.448 373 HH12 ARG 54 HH12 ARG 54 176.965 -8.395 2.921 374 HH21 ARG 54 HH21 ARG 54 174.778 -10.686 1.442 375 HH22 ARG 54 HH22 ARG 54 175.524 -10.171 2.917 376 H ASP 55 H ASP 55 172.923 -6.564 -3.154 377 HA ASP 55 HA ASP 55 172.419 -4.403 -1.283 378 HB2 ASP 55 HB2 ASP 55 170.103 -5.438 -1.267 379 HB3 ASP 55 HB3 ASP 55 170.647 -4.795 -2.810 380 H ILE 56 H ILE 56 172.467 -4.599 0.878 381 HA ILE 56 HA ILE 56 172.852 -7.291 1.992 382 HB ILE 56 HB ILE 56 173.348 -4.707 3.453 383 HG12 ILE 56 HG12 ILE 56 175.307 -6.287 1.771 384 HG13 ILE 56 HG13 ILE 56 174.688 -4.682 1.396 385 HG21 ILE 56 HG21 ILE 56 174.421 -7.498 3.829 386 HG22 ILE 56 HG22 ILE 56 173.179 -6.723 4.810 387 HG23 ILE 56 HG23 ILE 56 174.826 -6.094 4.816 388 HD11 ILE 56 HD11 ILE 56 176.972 -5.361 2.883 389 HD12 ILE 56 HD12 ILE 56 175.817 -4.652 4.012 390 HD13 ILE 56 HD13 ILE 56 176.309 -3.757 2.574 391 H THR 57 H THR 57 171.781 -7.869 3.971 392 HA THR 57 HA THR 57 169.518 -6.241 4.798 393 HB THR 57 HB THR 57 168.828 -9.078 4.291 394 HG1 THR 57 HG1 THR 57 169.611 -8.828 2.318 395 HG21 THR 57 HG21 THR 57 166.690 -8.328 4.016 396 HG22 THR 57 HG22 THR 57 167.200 -6.751 3.416 397 HG23 THR 57 HG23 THR 57 167.319 -7.119 5.136 398 H LYS 58 H LYS 58 171.800 -6.747 6.229 399 HA LYS 58 HA LYS 58 170.794 -7.769 8.640 400 HB2 LYS 58 HB2 LYS 58 171.088 -9.920 7.367 401 HB3 LYS 58 HB3 LYS 58 172.817 -9.597 7.341 402 HG2 LYS 58 HG2 LYS 58 172.155 -9.333 10.006 403 HG3 LYS 58 HG3 LYS 58 171.157 -10.680 9.458 404 HD2 LYS 58 HD2 LYS 58 173.494 -11.343 8.305 405 HD3 LYS 58 HD3 LYS 58 174.092 -10.470 9.717 406 HE2 LYS 58 HE2 LYS 58 171.928 -12.418 10.206 407 HE3 LYS 58 HE3 LYS 58 173.485 -13.092 9.727 408 HZ1 LYS 58 HZ1 LYS 58 173.563 -11.043 11.787 409 HZ2 LYS 58 HZ2 LYS 58 174.442 -12.483 11.656 410 HZ3 LYS 58 HZ3 LYS 58 172.853 -12.512 12.238 411 HA PRO 59 HA PRO 59 174.258 -4.777 9.107 412 HB2 PRO 59 HB2 PRO 59 173.068 -4.869 11.839 413 HB3 PRO 59 HB3 PRO 59 173.567 -3.473 10.876 414 HG2 PRO 59 HG2 PRO 59 170.988 -4.086 11.152 415 HG3 PRO 59 HG3 PRO 59 171.624 -3.492 9.608 416 HD2 PRO 59 HD2 PRO 59 170.849 -6.260 10.401 417 HD3 PRO 59 HD3 PRO 59 170.699 -5.452 8.827 418 H LYS 60 H LYS 60 175.790 -4.617 11.145 419 HA LYS 60 HA LYS 60 176.619 -7.371 11.811 420 HB2 LYS 60 HB2 LYS 60 178.220 -6.217 10.354 421 HB3 LYS 60 HB3 LYS 60 178.326 -4.891 11.505 422 HG2 LYS 60 HG2 LYS 60 180.141 -5.989 12.226 423 HG3 LYS 60 HG3 LYS 60 178.965 -6.976 13.098 424 HD2 LYS 60 HD2 LYS 60 178.928 -8.552 11.197 425 HD3 LYS 60 HD3 LYS 60 180.168 -7.584 10.397 426 HE2 LYS 60 HE2 LYS 60 180.458 -8.942 13.076 427 HE3 LYS 60 HE3 LYS 60 181.110 -9.541 11.552 428 HZ1 LYS 60 HZ1 LYS 60 182.827 -8.405 12.738 429 HZ2 LYS 60 HZ2 LYS 60 181.866 -7.028 12.940 430 HZ3 LYS 60 HZ3 LYS 60 182.407 -7.460 11.397 431 H GLU 61 H GLU 61 176.488 -4.043 12.968 432 HA GLU 61 HA GLU 61 175.524 -4.608 15.491 433 HB2 GLU 61 HB2 GLU 61 178.163 -5.404 15.379 434 HB3 GLU 61 HB3 GLU 61 178.280 -3.787 16.057 435 HG2 GLU 61 HG2 GLU 61 176.753 -4.401 17.842 436 HG3 GLU 61 HG3 GLU 61 176.570 -6.011 17.147 437 H GLY 62 H GLY 62 174.327 -2.838 14.762 438 HA2 GLY 62 HA2 GLY 62 173.780 -0.599 14.896 439 HA3 GLY 62 HA3 GLY 62 175.357 -0.303 15.623 440 H ARG 63 H ARG 63 176.034 -2.038 12.961 441 HA ARG 63 HA ARG 63 175.801 0.009 10.942 442 HB2 ARG 63 HB2 ARG 63 178.619 -0.815 11.494 443 HB3 ARG 63 HB3 ARG 63 178.016 0.631 10.701 444 HG2 ARG 63 HG2 ARG 63 177.396 1.599 12.804 445 HG3 ARG 63 HG3 ARG 63 177.785 0.103 13.655 446 HD2 ARG 63 HD2 ARG 63 179.919 1.350 12.011 447 HD3 ARG 63 HD3 ARG 63 179.480 2.147 13.521 448 HE ARG 63 HE ARG 63 179.957 -0.677 13.789 449 HH11 ARG 63 HH11 ARG 63 181.427 2.489 13.780 450 HH12 ARG 63 HH12 ARG 63 182.790 1.996 14.724 451 HH21 ARG 63 HH21 ARG 63 181.751 -1.326 15.033 452 HH22 ARG 63 HH22 ARG 63 182.975 -0.170 15.437 453 H TRP 64 H TRP 64 176.246 -0.787 8.837 454 HA TRP 64 HA TRP 64 176.243 -3.683 8.680 455 HB2 TRP 64 HB2 TRP 64 176.009 -1.697 6.426 456 HB3 TRP 64 HB3 TRP 64 175.604 -3.397 6.392 457 HD1 TRP 64 HD1 TRP 64 174.442 -0.520 8.732 458 HE1 TRP 64 HE1 TRP 64 171.879 -0.606 8.856 459 HE3 TRP 64 HE3 TRP 64 173.591 -4.450 5.571 460 HZ2 TRP 64 HZ2 TRP 64 169.770 -2.116 7.761 461 HZ3 TRP 64 HZ3 TRP 64 171.267 -5.149 5.167 462 HH2 TRP 64 HH2 TRP 64 169.395 -4.005 6.243 463 H THR 65 H THR 65 177.645 -4.782 7.182 464 HA THR 65 HA THR 65 180.147 -3.374 6.583 465 HB THR 65 HB THR 65 180.197 -6.191 7.624 466 HG1 THR 65 HG1 THR 65 179.198 -4.904 9.221 467 HG21 THR 65 HG21 THR 65 182.393 -4.709 8.509 468 HG22 THR 65 HG22 THR 65 182.168 -4.279 6.813 469 HG23 THR 65 HG23 THR 65 182.365 -5.969 7.276 470 H PHE 66 H PHE 66 180.439 -3.479 4.463 471 HA PHE 66 HA PHE 66 179.544 -5.888 3.033 472 HB2 PHE 66 HB2 PHE 66 178.442 -3.965 2.149 473 HB3 PHE 66 HB3 PHE 66 179.937 -3.041 2.109 474 HD1 PHE 66 HD1 PHE 66 178.689 -6.293 0.759 475 HD2 PHE 66 HD2 PHE 66 180.802 -2.673 0.026 476 HE1 PHE 66 HE1 PHE 66 179.039 -6.977 -1.578 477 HE2 PHE 66 HE2 PHE 66 181.156 -3.349 -2.313 478 HZ PHE 66 HZ PHE 66 180.275 -5.503 -3.118 479 H ARG 67 H ARG 67 181.361 -7.144 3.424 480 HA ARG 67 HA ARG 67 183.954 -6.138 2.540 481 HB2 ARG 67 HB2 ARG 67 183.203 -8.734 3.896 482 HB3 ARG 67 HB3 ARG 67 184.844 -8.231 3.511 483 HG2 ARG 67 HG2 ARG 67 184.986 -6.951 5.325 484 HG3 ARG 67 HG3 ARG 67 183.400 -6.231 5.045 485 HD2 ARG 67 HD2 ARG 67 183.609 -7.523 7.182 486 HD3 ARG 67 HD3 ARG 67 182.297 -8.042 6.125 487 HE ARG 67 HE ARG 67 183.351 -10.061 5.854 488 HH11 ARG 67 HH11 ARG 67 185.570 -7.801 7.319 489 HH12 ARG 67 HH12 ARG 67 186.763 -9.007 7.669 490 HH21 ARG 67 HH21 ARG 67 184.918 -11.649 6.314 491 HH22 ARG 67 HH22 ARG 67 186.393 -11.191 7.099 492 H ASP 68 H ASP 68 185.155 -7.057 0.906 493 HA ASP 68 HA ASP 68 183.904 -9.162 -0.703 494 HB2 ASP 68 HB2 ASP 68 183.819 -6.493 -1.457 495 HB3 ASP 68 HB3 ASP 68 185.191 -7.132 -2.358 496 H ARG 69 H ARG 69 185.350 -10.747 -0.582 497 HA ARG 69 HA ARG 69 188.196 -10.160 -0.481 498 HB2 ARG 69 HB2 ARG 69 186.467 -12.444 0.185 499 HB3 ARG 69 HB3 ARG 69 188.016 -12.887 -0.518 500 HG2 ARG 69 HG2 ARG 69 188.148 -10.862 1.604 501 HG3 ARG 69 HG3 ARG 69 187.597 -12.460 2.114 502 HD2 ARG 69 HD2 ARG 69 189.661 -13.243 0.665 503 HD3 ARG 69 HD3 ARG 69 190.231 -11.612 1.020 504 HE ARG 69 HE ARG 69 190.137 -13.819 2.815 505 HH11 ARG 69 HH11 ARG 69 189.834 -10.347 2.656 506 HH12 ARG 69 HH12 ARG 69 190.323 -10.103 4.299 507 HH21 ARG 69 HH21 ARG 69 190.778 -13.502 4.978 508 HH22 ARG 69 HH22 ARG 69 190.860 -11.894 5.617 509 H ASN 70 H ASN 70 186.507 -9.808 -2.973 510 HA ASN 70 HA ASN 70 188.337 -11.229 -4.755 511 HB2 ASN 70 HB2 ASN 70 186.369 -11.706 -6.290 512 HB3 ASN 70 HB3 ASN 70 186.459 -12.682 -4.826 513 HD21 ASN 70 HD21 ASN 70 184.533 -13.021 -4.016 514 HD22 ASN 70 HD22 ASN 70 183.237 -11.881 -3.943 515 H ALA 71 H ALA 71 188.050 -8.451 -3.844 516 HA ALA 71 HA ALA 71 187.154 -7.064 -6.252 517 HB1 ALA 71 HB1 ALA 71 186.424 -6.191 -4.087 518 HB2 ALA 71 HB2 ALA 71 187.421 -5.020 -4.950 519 HB3 ALA 71 HB3 ALA 71 188.107 -5.948 -3.617 520 H LYS 72 H LYS 72 188.572 -6.755 -7.834 521 HA LYS 72 HA LYS 72 191.390 -7.033 -7.442 522 HB2 LYS 72 HB2 LYS 72 190.054 -7.608 -9.547 523 HB3 LYS 72 HB3 LYS 72 190.060 -5.883 -9.890 524 HG2 LYS 72 HG2 LYS 72 192.553 -5.953 -9.795 525 HG3 LYS 72 HG3 LYS 72 192.441 -7.708 -9.674 526 HD2 LYS 72 HD2 LYS 72 190.855 -7.250 -11.820 527 HD3 LYS 72 HD3 LYS 72 192.020 -5.935 -11.988 528 HE2 LYS 72 HE2 LYS 72 192.936 -7.730 -13.200 529 HE3 LYS 72 HE3 LYS 72 193.825 -7.697 -11.678 530 HZ1 LYS 72 HZ1 LYS 72 191.753 -9.606 -12.558 531 HZ2 LYS 72 HZ2 LYS 72 192.102 -9.405 -10.916 532 HZ3 LYS 72 HZ3 LYS 72 193.311 -9.923 -11.979 533 H LEU 73 H LEU 73 191.570 -5.348 -5.781 534 HA LEU 73 HA LEU 73 191.469 -2.604 -6.790 535 HB2 LEU 73 HB2 LEU 73 191.926 -3.702 -4.016 536 HB3 LEU 73 HB3 LEU 73 191.935 -1.995 -4.417 537 HG LEU 73 HG LEU 73 189.562 -3.824 -4.776 538 HD11 LEU 73 HD11 LEU 73 190.103 -1.766 -2.640 539 HD12 LEU 73 HD12 LEU 73 190.127 -3.515 -2.414 540 HD13 LEU 73 HD13 LEU 73 188.621 -2.702 -2.836 541 HD21 LEU 73 HD21 LEU 73 190.079 -0.938 -5.323 542 HD22 LEU 73 HD22 LEU 73 188.468 -1.448 -4.819 543 HD23 LEU 73 HD23 LEU 73 189.191 -2.124 -6.279 544 H LYS 74 H LYS 74 193.250 -1.292 -6.954 545 HA LYS 74 HA LYS 74 195.865 -2.496 -6.363 546 HB2 LYS 74 HB2 LYS 74 196.725 -1.455 -8.478 547 HB3 LYS 74 HB3 LYS 74 195.600 -2.784 -8.724 548 HG2 LYS 74 HG2 LYS 74 193.874 -0.737 -8.765 549 HG3 LYS 74 HG3 LYS 74 195.320 0.083 -9.358 550 HD2 LYS 74 HD2 LYS 74 194.250 -0.717 -11.288 551 HD3 LYS 74 HD3 LYS 74 195.553 -1.868 -10.986 552 HE2 LYS 74 HE2 LYS 74 192.864 -2.393 -9.815 553 HE3 LYS 74 HE3 LYS 74 193.112 -2.684 -11.535 554 HZ1 LYS 74 HZ1 LYS 74 193.768 -4.687 -10.781 555 HZ2 LYS 74 HZ2 LYS 74 194.169 -4.118 -9.240 556 HZ3 LYS 74 HZ3 LYS 74 195.245 -3.901 -10.527 557 H LEU 75 H LEU 75 197.436 -1.115 -5.640 558 HA LEU 75 HA LEU 75 196.666 1.180 -4.271 559 HB2 LEU 75 HB2 LEU 75 198.841 -0.343 -4.193 560 HB3 LEU 75 HB3 LEU 75 199.482 0.930 -5.215 561 HG LEU 75 HG LEU 75 198.161 1.660 -2.635 562 HD11 LEU 75 HD11 LEU 75 200.695 0.183 -2.960 563 HD12 LEU 75 HD12 LEU 75 199.595 0.268 -1.583 564 HD13 LEU 75 HD13 LEU 75 200.734 1.580 -1.886 565 HD21 LEU 75 HD21 LEU 75 199.182 3.657 -2.924 566 HD22 LEU 75 HD22 LEU 75 199.187 3.157 -4.615 567 HD23 LEU 75 HD23 LEU 75 200.630 2.938 -3.626 568 H GLY 76 H GLY 76 196.404 3.246 -4.794 569 HA2 GLY 76 HA2 GLY 76 197.087 5.224 -5.994 570 HA3 GLY 76 HA3 GLY 76 197.497 4.193 -7.357 571 H ASP 77 H ASP 77 195.008 2.632 -7.033 572 HA ASP 77 HA ASP 77 193.406 4.116 -8.792 573 HB2 ASP 77 HB2 ASP 77 193.536 1.587 -8.592 574 HB3 ASP 77 HB3 ASP 77 192.484 1.737 -7.189 575 H LYS 78 H LYS 78 191.267 4.910 -8.485 576 HA LYS 78 HA LYS 78 190.766 5.830 -5.728 577 HB2 LYS 78 HB2 LYS 78 191.238 7.592 -7.436 578 HB3 LYS 78 HB3 LYS 78 189.812 7.066 -8.322 579 HG2 LYS 78 HG2 LYS 78 188.358 7.925 -6.762 580 HG3 LYS 78 HG3 LYS 78 189.545 7.849 -5.458 581 HD2 LYS 78 HD2 LYS 78 190.202 9.631 -7.722 582 HD3 LYS 78 HD3 LYS 78 188.849 10.130 -6.704 583 HE2 LYS 78 HE2 LYS 78 190.762 11.130 -5.759 584 HE3 LYS 78 HE3 LYS 78 190.381 9.753 -4.723 585 HZ1 LYS 78 HZ1 LYS 78 192.452 9.791 -6.852 586 HZ2 LYS 78 HZ2 LYS 78 192.091 8.475 -5.853 587 HZ3 LYS 78 HZ3 LYS 78 192.747 9.886 -5.188 588 H ILE 79 H ILE 79 188.503 6.085 -5.117 589 HA ILE 79 HA ILE 79 186.808 4.057 -6.403 590 HB ILE 79 HB ILE 79 187.399 4.537 -3.562 591 HG12 ILE 79 HG12 ILE 79 186.553 2.063 -3.623 592 HG13 ILE 79 HG13 ILE 79 186.641 2.267 -5.368 593 HG21 ILE 79 HG21 ILE 79 185.189 3.730 -2.804 594 HG22 ILE 79 HG22 ILE 79 184.583 3.912 -4.451 595 HG23 ILE 79 HG23 ILE 79 185.110 5.329 -3.543 596 HD11 ILE 79 HD11 ILE 79 188.977 2.873 -3.596 597 HD12 ILE 79 HD12 ILE 79 188.955 2.565 -5.332 598 HD13 ILE 79 HD13 ILE 79 188.650 1.248 -4.198 599 H TYR 80 H TYR 80 184.658 4.436 -6.736 600 HA TYR 80 HA TYR 80 183.522 7.011 -5.981 601 HB2 TYR 80 HB2 TYR 80 183.872 6.082 -8.834 602 HB3 TYR 80 HB3 TYR 80 182.655 7.270 -8.378 603 HD1 TYR 80 HD1 TYR 80 183.550 9.330 -7.024 604 HD2 TYR 80 HD2 TYR 80 185.988 6.816 -9.438 605 HE1 TYR 80 HE1 TYR 80 185.229 11.119 -7.179 606 HE2 TYR 80 HE2 TYR 80 187.676 8.597 -9.599 607 HH TYR 80 HH TYR 80 187.098 11.752 -8.862 608 H PHE 81 H PHE 81 181.540 6.586 -5.127 609 HA PHE 81 HA PHE 81 179.833 4.609 -6.397 610 HB2 PHE 81 HB2 PHE 81 179.572 3.296 -4.284 611 HB3 PHE 81 HB3 PHE 81 181.141 3.139 -5.035 612 HD1 PHE 81 HD1 PHE 81 182.920 4.934 -4.147 613 HD2 PHE 81 HD2 PHE 81 179.476 3.604 -2.034 614 HE1 PHE 81 HE1 PHE 81 183.959 5.622 -2.026 615 HE2 PHE 81 HE2 PHE 81 180.509 4.289 0.090 616 HZ PHE 81 HZ PHE 81 182.752 5.302 0.095 617 H TRP 82 H TRP 82 178.043 4.060 -4.638 618 HA TRP 82 HA TRP 82 177.140 6.310 -3.100 619 HB2 TRP 82 HB2 TRP 82 175.049 6.674 -4.266 620 HB3 TRP 82 HB3 TRP 82 176.382 6.930 -5.381 621 HD1 TRP 82 HD1 TRP 82 176.747 5.044 -7.293 622 HE1 TRP 82 HE1 TRP 82 175.066 3.441 -8.399 623 HE3 TRP 82 HE3 TRP 82 172.999 5.286 -3.827 624 HZ2 TRP 82 HZ2 TRP 82 172.491 2.407 -7.868 625 HZ3 TRP 82 HZ3 TRP 82 170.959 3.960 -4.201 626 HH2 TRP 82 HH2 TRP 82 170.713 2.551 -6.179 627 H THR 83 H THR 83 175.904 5.611 -1.407 628 HA THR 83 HA THR 83 175.345 2.721 -1.378 629 HB THR 83 HB THR 83 175.018 3.145 1.121 630 HG1 THR 83 HG1 THR 83 175.339 5.079 1.864 631 HG21 THR 83 HG21 THR 83 177.188 2.361 -0.096 632 HG22 THR 83 HG22 THR 83 177.225 2.824 1.606 633 HG23 THR 83 HG23 THR 83 177.776 3.956 0.372 634 H TYR 84 H TYR 84 173.327 2.027 -0.174 635 HA TYR 84 HA TYR 84 171.139 3.943 -0.353 636 HB2 TYR 84 HB2 TYR 84 171.301 2.871 -2.569 637 HB3 TYR 84 HB3 TYR 84 171.157 1.296 -1.798 638 HD1 TYR 84 HD1 TYR 84 169.250 4.406 -1.069 639 HD2 TYR 84 HD2 TYR 84 169.140 0.464 -2.666 640 HE1 TYR 84 HE1 TYR 84 166.805 4.562 -1.271 641 HE2 TYR 84 HE2 TYR 84 166.694 0.609 -2.871 642 HH TYR 84 HH TYR 84 165.002 2.966 -3.084 643 H VAL 85 H VAL 85 170.375 3.826 1.687 644 HA VAL 85 HA VAL 85 170.140 1.177 2.937 645 HB VAL 85 HB VAL 85 170.902 2.157 4.792 646 HG11 VAL 85 HG11 VAL 85 171.682 4.395 4.868 647 HG12 VAL 85 HG12 VAL 85 170.567 4.897 3.596 648 HG13 VAL 85 HG13 VAL 85 171.915 3.824 3.215 649 HG21 VAL 85 HG21 VAL 85 168.461 3.920 4.617 650 HG22 VAL 85 HG22 VAL 85 169.530 3.830 6.016 651 HG23 VAL 85 HG23 VAL 85 168.624 2.406 5.506 652 H ILE 86 H ILE 86 168.126 0.862 4.311 653 HA ILE 86 HA ILE 86 165.787 2.335 3.356 654 HB ILE 86 HB ILE 86 165.784 -0.673 3.301 655 HG12 ILE 86 HG12 ILE 86 167.353 0.292 1.612 656 HG13 ILE 86 HG13 ILE 86 166.004 -0.607 0.925 657 HG21 ILE 86 HG21 ILE 86 163.834 0.442 1.611 658 HG22 ILE 86 HG22 ILE 86 163.767 1.349 3.122 659 HG23 ILE 86 HG23 ILE 86 163.591 -0.406 3.139 660 HD11 ILE 86 HD11 ILE 86 165.391 1.128 -0.268 661 HD12 ILE 86 HD12 ILE 86 166.830 1.976 0.300 662 HD13 ILE 86 HD13 ILE 86 165.304 2.146 1.169 663 H LYS 87 H LYS 87 165.020 3.047 5.256 664 HA LYS 87 HA LYS 87 164.941 1.199 7.529 665 HB2 LYS 87 HB2 LYS 87 164.568 3.138 8.930 666 HB3 LYS 87 HB3 LYS 87 165.962 3.420 7.897 667 HG2 LYS 87 HG2 LYS 87 164.758 4.904 6.513 668 HG3 LYS 87 HG3 LYS 87 163.217 4.439 7.233 669 HD2 LYS 87 HD2 LYS 87 165.403 5.657 8.886 670 HD3 LYS 87 HD3 LYS 87 164.287 6.664 7.961 671 HE2 LYS 87 HE2 LYS 87 162.445 5.989 9.210 672 HE3 LYS 87 HE3 LYS 87 163.258 4.539 9.803 673 HZ1 LYS 87 HZ1 LYS 87 164.467 7.076 10.545 674 HZ2 LYS 87 HZ2 LYS 87 164.253 5.669 11.459 675 HZ3 LYS 87 HZ3 LYS 87 162.965 6.745 11.249 676 H ASP 88 H ASP 88 163.192 0.531 5.583 677 HA ASP 88 HA ASP 88 161.031 -0.217 5.479 678 HB2 ASP 88 HB2 ASP 88 161.071 0.242 8.043 679 HB3 ASP 88 HB3 ASP 88 160.153 1.687 7.628 680 H GLY 89 H GLY 89 161.217 0.928 3.434 681 HA2 GLY 89 HA2 GLY 89 160.214 2.215 1.815 682 HA3 GLY 89 HA3 GLY 89 159.006 2.656 3.010 683 H LEU 90 H LEU 90 162.321 3.288 3.758 684 HA LEU 90 HA LEU 90 162.163 6.034 2.787 685 HB2 LEU 90 HB2 LEU 90 162.912 5.594 5.652 686 HB3 LEU 90 HB3 LEU 90 162.407 7.075 4.859 687 HG LEU 90 HG LEU 90 160.553 4.748 5.262 688 HD11 LEU 90 HD11 LEU 90 160.901 7.152 7.053 689 HD12 LEU 90 HD12 LEU 90 161.382 5.502 7.448 690 HD13 LEU 90 HD13 LEU 90 159.677 5.892 7.221 691 HD21 LEU 90 HD21 LEU 90 158.921 6.082 4.444 692 HD22 LEU 90 HD22 LEU 90 160.284 6.851 3.629 693 HD23 LEU 90 HD23 LEU 90 159.634 7.552 5.112 694 H GLY 91 H GLY 91 163.798 5.147 1.422 695 HA2 GLY 91 HA2 GLY 91 166.237 4.256 2.569 696 HA3 GLY 91 HA3 GLY 91 165.920 4.459 0.866 697 H TYR 92 H TYR 92 168.304 5.084 2.010 698 HA TYR 92 HA TYR 92 168.528 7.937 1.420 699 HB2 TYR 92 HB2 TYR 92 169.849 6.719 3.850 700 HB3 TYR 92 HB3 TYR 92 169.873 8.403 3.343 701 HD1 TYR 92 HD1 TYR 92 167.736 9.736 3.442 702 HD2 TYR 92 HD2 TYR 92 168.108 5.884 5.209 703 HE1 TYR 92 HE1 TYR 92 165.751 10.185 4.822 704 HE2 TYR 92 HE2 TYR 92 166.124 6.321 6.594 705 HH TYR 92 HH TYR 92 163.985 7.960 6.281 706 H ARG 93 H ARG 93 170.341 8.317 0.179 707 HA ARG 93 HA ARG 93 172.243 6.091 -0.014 708 HB2 ARG 93 HB2 ARG 93 172.534 6.607 -2.393 709 HB3 ARG 93 HB3 ARG 93 170.880 6.122 -2.005 710 HG2 ARG 93 HG2 ARG 93 170.781 8.853 -1.753 711 HG3 ARG 93 HG3 ARG 93 171.886 8.619 -3.109 712 HD2 ARG 93 HD2 ARG 93 170.160 7.049 -4.079 713 HD3 ARG 93 HD3 ARG 93 169.057 7.627 -2.831 714 HE ARG 93 HE ARG 93 170.017 9.883 -4.075 715 HH11 ARG 93 HH11 ARG 93 168.262 7.028 -5.047 716 HH12 ARG 93 HH12 ARG 93 167.421 7.830 -6.331 717 HH21 ARG 93 HH21 ARG 93 168.914 10.940 -5.763 718 HH22 ARG 93 HH22 ARG 93 167.791 10.050 -6.739 719 H GLN 94 H GLN 94 174.344 6.487 -0.141 720 HA GLN 94 HA GLN 94 175.177 9.267 0.294 721 HB2 GLN 94 HB2 GLN 94 175.828 7.360 1.915 722 HB3 GLN 94 HB3 GLN 94 176.940 6.852 0.650 723 HG2 GLN 94 HG2 GLN 94 177.612 9.427 0.784 724 HG3 GLN 94 HG3 GLN 94 177.042 9.200 2.435 725 HE21 GLN 94 HE21 GLN 94 178.865 7.198 0.138 726 HE22 GLN 94 HE22 GLN 94 180.183 6.869 1.205 727 H ASP 95 H ASP 95 174.750 9.549 -2.021 728 HA ASP 95 HA ASP 95 176.503 8.240 -3.888 729 HB2 ASP 95 HB2 ASP 95 175.450 9.763 -5.550 730 HB3 ASP 95 HB3 ASP 95 174.290 8.823 -4.624 731 H ASN 96 H ASN 96 177.608 9.705 -5.549 732 HA ASN 96 HA ASN 96 179.364 11.062 -6.029 733 HB2 ASN 96 HB2 ASN 96 177.726 12.832 -5.569 734 HB3 ASN 96 HB3 ASN 96 178.141 12.777 -3.861 735 HD21 ASN 96 HD21 ASN 96 179.521 13.341 -7.061 736 HD22 ASN 96 HD22 ASN 96 180.691 14.505 -6.549 737 H GLY 97 H GLY 97 179.438 9.048 -3.731 738 HA2 GLY 97 HA2 GLY 97 181.398 10.163 -1.923 739 HA3 GLY 97 HA3 GLY 97 180.828 8.502 -1.944 740 H GLU 98 H GLU 98 183.488 9.127 -1.578 741 HA GLU 98 HA GLU 98 184.636 7.706 -3.817 742 HB2 GLU 98 HB2 GLU 98 184.807 10.028 -4.567 743 HB3 GLU 98 HB3 GLU 98 185.619 10.468 -3.070 744 HG2 GLU 98 HG2 GLU 98 187.100 8.352 -4.165 745 HG3 GLU 98 HG3 GLU 98 186.719 9.433 -5.503 746 H TRP 99 H TRP 99 186.552 6.654 -3.323 747 HA TRP 99 HA TRP 99 187.706 7.062 -0.672 748 HB2 TRP 99 HB2 TRP 99 186.090 5.301 -0.303 749 HB3 TRP 99 HB3 TRP 99 186.684 4.414 -1.701 750 HD1 TRP 99 HD1 TRP 99 188.239 5.709 1.629 751 HE1 TRP 99 HE1 TRP 99 189.822 3.875 2.504 752 HE3 TRP 99 HE3 TRP 99 187.655 2.295 -2.108 753 HZ2 TRP 99 HZ2 TRP 99 190.702 1.312 1.698 754 HZ3 TRP 99 HZ3 TRP 99 188.894 0.176 -1.993 755 HH2 TRP 99 HH2 TRP 99 190.382 -0.301 -0.127 756 H THR 100 H THR 100 189.810 5.862 -0.445 757 HA THR 100 HA THR 100 191.241 5.970 -3.010 758 HB THR 100 HB THR 100 191.897 7.458 -1.066 759 HG1 THR 100 HG1 THR 100 194.096 7.138 -1.457 760 HG21 THR 100 HG21 THR 100 192.282 6.597 0.935 761 HG22 THR 100 HG22 THR 100 193.640 5.696 0.265 762 HG23 THR 100 HG23 THR 100 192.037 4.960 0.320 763 H VAL 101 H VAL 101 192.970 4.496 -3.415 764 HA VAL 101 HA VAL 101 192.658 1.878 -2.091 765 HB VAL 101 HB VAL 101 193.562 2.169 -4.949 766 HG11 VAL 101 HG11 VAL 101 193.909 0.076 -3.474 767 HG12 VAL 101 HG12 VAL 101 193.253 -0.130 -5.098 768 HG13 VAL 101 HG13 VAL 101 192.179 -0.176 -3.701 769 HG21 VAL 101 HG21 VAL 101 191.001 2.845 -4.068 770 HG22 VAL 101 HG22 VAL 101 190.845 1.195 -4.669 771 HG23 VAL 101 HG23 VAL 101 191.482 2.458 -5.719 772 H THR 102 H THR 102 194.690 4.457 -2.546 773 HA THR 102 HA THR 102 197.180 3.278 -3.063 774 HB THR 102 HB THR 102 197.854 5.413 -1.538 775 HG1 THR 102 HG1 THR 102 196.288 6.872 -1.485 776 HG21 THR 102 HG21 THR 102 196.807 6.257 -4.130 777 HG22 THR 102 HG22 THR 102 197.892 4.869 -4.196 778 HG23 THR 102 HG23 THR 102 198.434 6.379 -3.462 779 H GLU 103 H GLU 103 195.201 3.021 -0.312 780 HA GLU 103 HA GLU 103 197.487 1.986 1.232 781 HB2 GLU 103 HB2 GLU 103 196.083 4.190 1.955 782 HB3 GLU 103 HB3 GLU 103 195.139 2.939 2.753 783 HG2 GLU 103 HG2 GLU 103 196.946 2.261 4.076 784 HG3 GLU 103 HG3 GLU 103 198.114 3.107 3.062 785 H PHE 104 H PHE 104 197.108 0.138 2.517 786 HA PHE 104 HA PHE 104 194.528 -1.195 2.104 787 HB2 PHE 104 HB2 PHE 104 197.257 -2.445 1.725 788 HB3 PHE 104 HB3 PHE 104 195.747 -3.345 1.764 789 HD1 PHE 104 HD1 PHE 104 197.279 -0.453 -0.031 790 HD2 PHE 104 HD2 PHE 104 194.768 -3.883 -0.237 791 HE1 PHE 104 HE1 PHE 104 197.029 -0.120 -2.456 792 HE2 PHE 104 HE2 PHE 104 194.517 -3.559 -2.662 793 HZ PHE 104 HZ PHE 104 195.649 -1.676 -3.778 794 H VAL 105 H VAL 105 193.882 -2.563 3.786 795 HA VAL 105 HA VAL 105 195.428 -2.205 6.252 796 HB VAL 105 HB VAL 105 193.432 -2.655 7.509 797 HG11 VAL 105 HG11 VAL 105 192.071 -0.759 6.869 798 HG12 VAL 105 HG12 VAL 105 192.771 -0.764 5.251 799 HG13 VAL 105 HG13 VAL 105 193.777 -0.372 6.645 800 HG21 VAL 105 HG21 VAL 105 191.785 -3.927 6.717 801 HG22 VAL 105 HG22 VAL 105 192.589 -3.992 5.150 802 HG23 VAL 105 HG23 VAL 105 191.415 -2.719 5.487 803 H ASN 106 H ASN 106 195.282 -4.025 7.809 804 HA ASN 106 HA ASN 106 196.218 -6.435 6.552 805 HB2 ASN 106 HB2 ASN 106 196.912 -5.222 8.826 806 HB3 ASN 106 HB3 ASN 106 195.702 -6.326 9.471 807 HD21 ASN 106 HD21 ASN 106 197.248 -7.467 10.621 808 HD22 ASN 106 HD22 ASN 106 198.356 -8.546 9.850 809 H GLU 107 H GLU 107 195.392 -8.538 6.892 810 HA GLU 107 HA GLU 107 192.634 -8.815 6.549 811 HB2 GLU 107 HB2 GLU 107 193.076 -11.238 7.273 812 HB3 GLU 107 HB3 GLU 107 193.950 -10.650 5.866 813 HG2 GLU 107 HG2 GLU 107 195.370 -10.235 8.380 814 HG3 GLU 107 HG3 GLU 107 195.053 -11.931 8.009 815 H ASP 108 H ASP 108 194.479 -8.112 9.299 816 HA ASP 108 HA ASP 108 192.712 -9.216 11.277 817 HB2 ASP 108 HB2 ASP 108 195.275 -8.449 11.396 818 HB3 ASP 108 HB3 ASP 108 194.525 -6.955 11.954 819 H GLY 109 H GLY 109 192.972 -6.224 9.484 820 HA2 GLY 109 HA2 GLY 109 190.832 -5.013 9.264 821 HA3 GLY 109 HA3 GLY 109 190.634 -5.219 10.997 822 H THR 110 H THR 110 193.852 -4.600 10.429 823 HA THR 110 HA THR 110 193.441 -1.702 10.762 824 HB THR 110 HB THR 110 195.115 -1.549 12.351 825 HG1 THR 110 HG1 THR 110 195.991 -4.163 11.683 826 HG21 THR 110 HG21 THR 110 193.740 -4.176 12.803 827 HG22 THR 110 HG22 THR 110 193.374 -2.604 13.516 828 HG23 THR 110 HG23 THR 110 194.846 -3.460 13.977 829 HA PRO 111 HA PRO 111 195.962 -0.499 7.459 830 HB2 PRO 111 HB2 PRO 111 198.057 0.347 9.421 831 HB3 PRO 111 HB3 PRO 111 197.393 1.228 8.041 832 HG2 PRO 111 HG2 PRO 111 196.602 1.777 10.536 833 HG3 PRO 111 HG3 PRO 111 195.465 1.824 9.177 834 HD2 PRO 111 HD2 PRO 111 195.718 -0.174 11.353 835 HD3 PRO 111 HD3 PRO 111 194.298 0.280 10.410 836 H ALA 112 H ALA 112 197.188 -1.593 6.115 837 HA ALA 112 HA ALA 112 198.396 -4.007 6.766 838 HB1 ALA 112 HB1 ALA 112 197.610 -3.390 4.522 839 HB2 ALA 112 HB2 ALA 112 199.257 -4.023 4.515 840 HB3 ALA 112 HB3 ALA 112 198.978 -2.288 4.367 841 H ASP 113 H ASP 113 200.676 -4.618 6.501 842 HA ASP 113 HA ASP 113 202.586 -2.491 7.136 843 HB2 ASP 113 HB2 ASP 113 201.606 -3.928 9.170 844 HB3 ASP 113 HB3 ASP 113 202.873 -5.035 8.649 845 H THR 114 H THR 114 204.887 -3.669 7.327 846 HA THR 114 HA THR 114 205.265 -4.907 4.737 847 HB THR 114 HB THR 114 206.786 -3.126 5.512 848 HG1 THR 114 HG1 THR 114 208.079 -5.636 5.252 849 HG21 THR 114 HG21 THR 114 208.255 -3.309 7.283 850 HG22 THR 114 HG22 THR 114 208.042 -5.054 7.414 851 HG23 THR 114 HG23 THR 114 206.759 -3.965 7.944 852 H SER 115 H SER 115 205.496 -5.785 8.129 853 HA SER 115 HA SER 115 205.699 -7.791 9.183 854 HB2 SER 115 HB2 SER 115 205.173 -9.287 6.647 855 HB3 SER 115 HB3 SER 115 204.568 -9.593 8.274 856 HG SER 115 HG SER 115 203.349 -7.567 7.961 857 H LEU 116 H LEU 116 206.924 -9.933 9.122 858 HA LEU 116 HA LEU 116 208.909 -11.030 8.974 859 HB2 LEU 116 HB2 LEU 116 208.278 -10.166 6.298 860 HB3 LEU 116 HB3 LEU 116 210.016 -10.164 6.536 861 HG LEU 116 HG LEU 116 209.235 -12.285 5.599 862 HD11 LEU 116 HD11 LEU 116 211.211 -12.516 6.819 863 HD12 LEU 116 HD12 LEU 116 210.161 -13.780 7.460 864 HD13 LEU 116 HD13 LEU 116 210.395 -12.284 8.364 865 HD21 LEU 116 HD21 LEU 116 207.140 -12.808 6.281 866 HD22 LEU 116 HD22 LEU 116 207.374 -12.125 7.891 867 HD23 LEU 116 HD23 LEU 116 208.023 -13.720 7.506 868 H GLU 117 H GLU 117 210.114 -10.102 10.556 869 HA GLU 117 HA GLU 117 212.004 -8.025 9.698 870 HB2 GLU 117 HB2 GLU 117 210.556 -8.046 12.353 871 HB3 GLU 117 HB3 GLU 117 211.786 -6.891 11.858 872 HG2 GLU 117 HG2 GLU 117 210.381 -5.858 10.326 873 HG3 GLU 117 HG3 GLU 117 209.280 -7.233 10.263 874 HA PRO 118 HA PRO 118 215.019 -10.712 11.485 875 HB2 PRO 118 HB2 PRO 118 217.004 -8.948 12.026 876 HB3 PRO 118 HB3 PRO 118 216.596 -9.451 10.382 877 HG2 PRO 118 HG2 PRO 118 215.816 -6.961 11.849 878 HG3 PRO 118 HG3 PRO 118 216.365 -7.146 10.173 879 HD2 PRO 118 HD2 PRO 118 213.751 -6.868 10.836 880 HD3 PRO 118 HD3 PRO 118 214.289 -7.814 9.433 Start of MODEL 17 1 H GLN 6 H GLN 6 162.640 11.799 9.480 2 HA GLN 6 HA GLN 6 162.992 9.991 7.202 3 HB2 GLN 6 HB2 GLN 6 163.356 12.121 5.892 4 HB3 GLN 6 HB3 GLN 6 161.689 11.780 6.326 5 HG2 GLN 6 HG2 GLN 6 162.992 13.378 8.346 6 HG3 GLN 6 HG3 GLN 6 163.089 14.136 6.758 7 HE21 GLN 6 HE21 GLN 6 161.358 15.161 5.991 8 HE22 GLN 6 HE22 GLN 6 159.789 15.149 6.715 9 H TYR 7 H TYR 7 164.896 9.158 7.938 10 HA TYR 7 HA TYR 7 166.946 10.926 9.000 11 HB2 TYR 7 HB2 TYR 7 166.540 8.728 10.038 12 HB3 TYR 7 HB3 TYR 7 167.013 7.933 8.548 13 HD1 TYR 7 HD1 TYR 7 168.359 10.484 10.931 14 HD2 TYR 7 HD2 TYR 7 169.163 7.105 8.476 15 HE1 TYR 7 HE1 TYR 7 170.690 10.479 11.713 16 HE2 TYR 7 HE2 TYR 7 171.497 7.088 9.251 17 HH TYR 7 HH TYR 7 173.129 8.857 10.212 18 H VAL 8 H VAL 8 169.237 10.379 8.197 19 HA VAL 8 HA VAL 8 169.199 10.568 5.257 20 HB VAL 8 HB VAL 8 171.402 11.546 7.068 21 HG11 VAL 8 HG11 VAL 8 172.313 11.361 4.957 22 HG12 VAL 8 HG12 VAL 8 171.723 13.023 4.949 23 HG13 VAL 8 HG13 VAL 8 170.795 11.754 4.152 24 HG21 VAL 8 HG21 VAL 8 170.243 13.815 6.208 25 HG22 VAL 8 HG22 VAL 8 169.860 13.050 7.750 26 HG23 VAL 8 HG23 VAL 8 168.820 12.782 6.351 27 H VAL 9 H VAL 9 171.066 9.697 4.104 28 HA VAL 9 HA VAL 9 171.606 7.025 4.846 29 HB VAL 9 HB VAL 9 171.548 7.620 2.517 30 HG11 VAL 9 HG11 VAL 9 173.868 8.958 1.906 31 HG12 VAL 9 HG12 VAL 9 173.330 9.754 3.382 32 HG13 VAL 9 HG13 VAL 9 172.257 9.668 1.986 33 HG21 VAL 9 HG21 VAL 9 173.571 6.568 1.721 34 HG22 VAL 9 HG22 VAL 9 173.040 5.770 3.201 35 HG23 VAL 9 HG23 VAL 9 174.388 6.907 3.248 36 HA PRO 10 HA PRO 10 175.047 7.662 7.608 37 HB2 PRO 10 HB2 PRO 10 175.814 4.898 6.930 38 HB3 PRO 10 HB3 PRO 10 175.367 5.589 8.491 39 HG2 PRO 10 HG2 PRO 10 173.738 3.919 7.172 40 HG3 PRO 10 HG3 PRO 10 173.115 5.263 8.147 41 HD2 PRO 10 HD2 PRO 10 173.409 5.048 5.176 42 HD3 PRO 10 HD3 PRO 10 172.096 5.763 6.134 43 H SER 11 H SER 11 177.489 6.605 7.525 44 HA SER 11 HA SER 11 178.573 7.556 4.966 45 HB2 SER 11 HB2 SER 11 179.145 8.738 7.170 46 HB3 SER 11 HB3 SER 11 180.118 7.315 7.539 47 HG SER 11 HG SER 11 180.805 9.390 6.075 48 H ALA 12 H ALA 12 179.527 6.149 3.663 49 HA ALA 12 HA ALA 12 179.937 3.425 4.541 50 HB1 ALA 12 HB1 ALA 12 179.728 2.874 2.383 51 HB2 ALA 12 HB2 ALA 12 180.870 4.111 1.856 52 HB3 ALA 12 HB3 ALA 12 179.186 4.537 2.162 53 H LYS 13 H LYS 13 181.705 3.090 5.745 54 HA LYS 13 HA LYS 13 184.219 4.404 5.047 55 HB2 LYS 13 HB2 LYS 13 183.338 4.214 7.438 56 HB3 LYS 13 HB3 LYS 13 183.749 2.508 7.344 57 HG2 LYS 13 HG2 LYS 13 185.655 3.291 8.289 58 HG3 LYS 13 HG3 LYS 13 186.088 3.484 6.590 59 HD2 LYS 13 HD2 LYS 13 185.248 5.838 6.732 60 HD3 LYS 13 HD3 LYS 13 185.061 5.604 8.471 61 HE2 LYS 13 HE2 LYS 13 187.159 6.691 8.081 62 HE3 LYS 13 HE3 LYS 13 187.479 5.033 8.591 63 HZ1 LYS 13 HZ1 LYS 13 188.697 6.073 6.541 64 HZ2 LYS 13 HZ2 LYS 13 187.298 5.593 5.721 65 HZ3 LYS 13 HZ3 LYS 13 188.234 4.446 6.538 66 H LEU 14 H LEU 14 185.199 3.415 3.376 67 HA LEU 14 HA LEU 14 185.214 0.495 3.250 68 HB2 LEU 14 HB2 LEU 14 186.040 2.602 1.260 69 HB3 LEU 14 HB3 LEU 14 186.223 0.879 0.988 70 HG LEU 14 HG LEU 14 183.616 0.899 1.542 71 HD11 LEU 14 HD11 LEU 14 183.040 3.067 1.905 72 HD12 LEU 14 HD12 LEU 14 182.851 3.025 0.151 73 HD13 LEU 14 HD13 LEU 14 184.317 3.698 0.865 74 HD21 LEU 14 HD21 LEU 14 183.876 1.771 -1.178 75 HD22 LEU 14 HD22 LEU 14 183.560 0.154 -0.549 76 HD23 LEU 14 HD23 LEU 14 185.220 0.712 -0.756 77 H GLU 15 H GLU 15 187.203 -0.612 2.649 78 HA GLU 15 HA GLU 15 189.705 0.679 3.385 79 HB2 GLU 15 HB2 GLU 15 188.425 -1.576 4.895 80 HB3 GLU 15 HB3 GLU 15 190.175 -1.455 4.816 81 HG2 GLU 15 HG2 GLU 15 190.111 0.726 5.846 82 HG3 GLU 15 HG3 GLU 15 188.349 0.713 5.827 83 H ALA 16 H ALA 16 191.427 -0.130 2.213 84 HA ALA 16 HA ALA 16 190.756 -2.085 0.173 85 HB1 ALA 16 HB1 ALA 16 193.136 -0.319 0.643 86 HB2 ALA 16 HB2 ALA 16 191.940 -0.234 -0.649 87 HB3 ALA 16 HB3 ALA 16 193.112 -1.552 -0.620 88 H ILE 17 H ILE 17 190.739 -4.115 0.884 89 HA ILE 17 HA ILE 17 192.560 -5.141 2.831 90 HB ILE 17 HB ILE 17 190.798 -6.742 0.976 91 HG12 ILE 17 HG12 ILE 17 189.431 -5.049 2.069 92 HG13 ILE 17 HG13 ILE 17 189.101 -6.628 2.777 93 HG21 ILE 17 HG21 ILE 17 192.342 -7.304 3.451 94 HG22 ILE 17 HG22 ILE 17 192.061 -8.319 2.034 95 HG23 ILE 17 HG23 ILE 17 190.791 -8.117 3.241 96 HD11 ILE 17 HD11 ILE 17 189.949 -4.226 4.049 97 HD12 ILE 17 HD12 ILE 17 191.163 -5.479 4.301 98 HD13 ILE 17 HD13 ILE 17 189.488 -5.767 4.771 99 H TYR 18 H TYR 18 194.039 -6.900 2.505 100 HA TYR 18 HA TYR 18 195.241 -6.930 -0.186 101 HB2 TYR 18 HB2 TYR 18 196.413 -6.025 2.152 102 HB3 TYR 18 HB3 TYR 18 197.028 -7.668 2.012 103 HD1 TYR 18 HD1 TYR 18 196.633 -4.526 0.049 104 HD2 TYR 18 HD2 TYR 18 198.863 -8.097 0.649 105 HE1 TYR 18 HE1 TYR 18 198.301 -3.750 -1.584 106 HE2 TYR 18 HE2 TYR 18 200.538 -7.333 -0.981 107 HH TYR 18 HH TYR 18 200.583 -4.118 -2.201 108 HA PRO 19 HA PRO 19 196.803 -7.999 -1.170 109 HB2 PRO 19 HB2 PRO 19 196.695 -10.112 -3.086 110 HB3 PRO 19 HB3 PRO 19 198.061 -9.643 -2.074 111 HG2 PRO 19 HG2 PRO 19 196.674 -12.031 -1.864 112 HG3 PRO 19 HG3 PRO 19 197.677 -11.320 -0.588 113 HD2 PRO 19 HD2 PRO 19 194.705 -11.245 -0.930 114 HD3 PRO 19 HD3 PRO 19 195.666 -11.420 0.553 115 H ARG 20 H ARG 20 193.656 -9.133 -1.238 116 HA ARG 20 HA ARG 20 192.822 -7.217 -3.116 117 HB2 ARG 20 HB2 ARG 20 191.845 -8.814 -4.782 118 HB3 ARG 20 HB3 ARG 20 193.602 -8.728 -4.800 119 HG2 ARG 20 HG2 ARG 20 193.027 -10.765 -3.003 120 HG3 ARG 20 HG3 ARG 20 191.865 -10.983 -4.313 121 HD2 ARG 20 HD2 ARG 20 194.273 -10.425 -5.590 122 HD3 ARG 20 HD3 ARG 20 194.712 -11.496 -4.261 123 HE ARG 20 HE ARG 20 193.661 -13.210 -5.346 124 HH11 ARG 20 HH11 ARG 20 192.606 -10.190 -6.741 125 HH12 ARG 20 HH12 ARG 20 191.738 -10.946 -8.034 126 HH21 ARG 20 HH21 ARG 20 192.519 -14.206 -7.049 127 HH22 ARG 20 HH22 ARG 20 191.688 -13.226 -8.209 128 H GLY 21 H GLY 21 191.312 -6.562 -1.670 129 HA2 GLY 21 HA2 GLY 21 188.915 -8.124 -1.483 130 HA3 GLY 21 HA3 GLY 21 189.751 -7.996 0.046 131 H LEU 22 H LEU 22 187.560 -6.969 0.514 132 HA LEU 22 HA LEU 22 187.919 -4.095 0.439 133 HB2 LEU 22 HB2 LEU 22 186.342 -5.256 -1.509 134 HB3 LEU 22 HB3 LEU 22 185.175 -4.776 -0.293 135 HG LEU 22 HG LEU 22 185.394 -3.028 -1.941 136 HD11 LEU 22 HD11 LEU 22 186.872 -2.043 0.477 137 HD12 LEU 22 HD12 LEU 22 185.173 -2.508 0.546 138 HD13 LEU 22 HD13 LEU 22 185.685 -1.196 -0.516 139 HD21 LEU 22 HD21 LEU 22 187.675 -3.617 -2.687 140 HD22 LEU 22 HD22 LEU 22 188.315 -2.906 -1.207 141 HD23 LEU 22 HD23 LEU 22 187.473 -1.893 -2.382 142 H ARG 23 H ARG 23 187.043 -3.079 2.179 143 HA ARG 23 HA ARG 23 185.245 -4.619 3.918 144 HB2 ARG 23 HB2 ARG 23 187.944 -4.161 4.478 145 HB3 ARG 23 HB3 ARG 23 187.086 -2.966 5.443 146 HG2 ARG 23 HG2 ARG 23 186.597 -5.938 5.474 147 HG3 ARG 23 HG3 ARG 23 187.476 -5.015 6.695 148 HD2 ARG 23 HD2 ARG 23 185.412 -3.689 7.093 149 HD3 ARG 23 HD3 ARG 23 184.560 -4.750 5.972 150 HE ARG 23 HE ARG 23 184.483 -6.359 7.602 151 HH11 ARG 23 HH11 ARG 23 186.779 -3.904 8.538 152 HH12 ARG 23 HH12 ARG 23 186.990 -4.533 10.137 153 HH21 ARG 23 HH21 ARG 23 184.758 -7.188 9.705 154 HH22 ARG 23 HH22 ARG 23 185.844 -6.398 10.800 155 H VAL 24 H VAL 24 183.432 -3.427 3.651 156 HA VAL 24 HA VAL 24 183.638 -0.512 3.998 157 HB VAL 24 HB VAL 24 181.287 -1.999 2.839 158 HG11 VAL 24 HG11 VAL 24 180.484 0.077 3.378 159 HG12 VAL 24 HG12 VAL 24 181.103 0.391 1.757 160 HG13 VAL 24 HG13 VAL 24 182.050 0.859 3.168 161 HG21 VAL 24 HG21 VAL 24 182.768 -2.505 1.190 162 HG22 VAL 24 HG22 VAL 24 183.840 -1.162 1.590 163 HG23 VAL 24 HG23 VAL 24 182.360 -0.868 0.678 164 H SER 25 H SER 25 181.985 0.571 5.219 165 HA SER 25 HA SER 25 180.271 -0.984 6.950 166 HB2 SER 25 HB2 SER 25 181.963 0.855 8.521 167 HB3 SER 25 HB3 SER 25 181.363 -0.752 8.925 168 HG SER 25 HG SER 25 183.505 -1.031 8.671 169 H ILE 26 H ILE 26 178.611 0.235 7.874 170 HA ILE 26 HA ILE 26 178.614 3.131 7.394 171 HB ILE 26 HB ILE 26 176.253 2.941 6.505 172 HG12 ILE 26 HG12 ILE 26 176.739 0.275 5.414 173 HG13 ILE 26 HG13 ILE 26 176.577 0.270 7.164 174 HG21 ILE 26 HG21 ILE 26 178.016 3.557 5.026 175 HG22 ILE 26 HG22 ILE 26 177.022 2.360 4.198 176 HG23 ILE 26 HG23 ILE 26 178.570 1.888 4.898 177 HD11 ILE 26 HD11 ILE 26 174.407 1.191 7.058 178 HD12 ILE 26 HD12 ILE 26 174.466 -0.104 5.861 179 HD13 ILE 26 HD13 ILE 26 174.580 1.581 5.347 180 HA PRO 27 HA PRO 27 176.930 2.850 11.558 181 HB2 PRO 27 HB2 PRO 27 176.106 5.500 11.641 182 HB3 PRO 27 HB3 PRO 27 177.705 4.917 12.103 183 HG2 PRO 27 HG2 PRO 27 176.815 6.195 9.566 184 HG3 PRO 27 HG3 PRO 27 178.354 6.354 10.426 185 HD2 PRO 27 HD2 PRO 27 178.099 4.846 8.205 186 HD3 PRO 27 HD3 PRO 27 179.207 4.409 9.523 187 H ASP 28 H ASP 28 175.137 1.589 11.306 188 HA ASP 28 HA ASP 28 172.887 2.209 9.750 189 HB2 ASP 28 HB2 ASP 28 173.332 -0.071 10.428 190 HB3 ASP 28 HB3 ASP 28 173.180 0.364 12.124 191 H ASP 29 H ASP 29 170.719 2.601 10.481 192 HA ASP 29 HA ASP 29 170.438 4.026 13.011 193 HB2 ASP 29 HB2 ASP 29 170.756 5.426 10.643 194 HB3 ASP 29 HB3 ASP 29 169.008 5.356 10.828 195 H GLY 30 H GLY 30 169.615 1.486 12.452 196 HA2 GLY 30 HA2 GLY 30 167.779 0.167 12.782 197 HA3 GLY 30 HA3 GLY 30 166.851 1.635 12.994 198 H PHE 31 H PHE 31 168.692 0.466 10.199 199 HA PHE 31 HA PHE 31 166.382 0.981 8.510 200 HB2 PHE 31 HB2 PHE 31 169.089 -0.013 7.628 201 HB3 PHE 31 HB3 PHE 31 167.859 0.773 6.642 202 HD1 PHE 31 HD1 PHE 31 167.108 3.091 8.183 203 HD2 PHE 31 HD2 PHE 31 170.946 1.332 7.663 204 HE1 PHE 31 HE1 PHE 31 168.161 5.269 8.626 205 HE2 PHE 31 HE2 PHE 31 172.006 3.504 8.109 206 HZ PHE 31 HZ PHE 31 170.614 5.477 8.588 207 H SER 32 H SER 32 166.617 -0.722 6.503 208 HA SER 32 HA SER 32 166.377 -3.412 7.634 209 HB2 SER 32 HB2 SER 32 164.110 -2.661 7.393 210 HB3 SER 32 HB3 SER 32 164.433 -2.022 5.781 211 HG SER 32 HG SER 32 164.560 -4.067 4.990 212 H LEU 33 H LEU 33 167.226 -1.323 4.938 213 HA LEU 33 HA LEU 33 168.624 -3.646 3.780 214 HB2 LEU 33 HB2 LEU 33 166.387 -3.093 2.578 215 HB3 LEU 33 HB3 LEU 33 167.261 -1.717 1.962 216 HG LEU 33 HG LEU 33 169.012 -3.345 1.118 217 HD11 LEU 33 HD11 LEU 33 167.959 -5.209 2.574 218 HD12 LEU 33 HD12 LEU 33 168.572 -5.602 0.967 219 HD13 LEU 33 HD13 LEU 33 166.839 -5.390 1.224 220 HD21 LEU 33 HD21 LEU 33 166.921 -2.227 -0.098 221 HD22 LEU 33 HD22 LEU 33 166.485 -3.922 -0.304 222 HD23 LEU 33 HD23 LEU 33 168.028 -3.328 -0.919 223 H PHE 34 H PHE 34 170.595 -3.248 3.039 224 HA PHE 34 HA PHE 34 171.446 -0.454 2.737 225 HB2 PHE 34 HB2 PHE 34 172.389 -1.307 4.792 226 HB3 PHE 34 HB3 PHE 34 172.965 -2.747 3.973 227 HD1 PHE 34 HD1 PHE 34 173.190 0.893 3.202 228 HD2 PHE 34 HD2 PHE 34 175.258 -2.765 3.871 229 HE1 PHE 34 HE1 PHE 34 175.322 2.012 2.697 230 HE2 PHE 34 HE2 PHE 34 177.395 -1.652 3.369 231 HZ PHE 34 HZ PHE 34 177.429 0.739 2.782 232 H ALA 35 H ALA 35 171.659 -0.209 0.577 233 HA ALA 35 HA ALA 35 172.905 -2.388 -0.954 234 HB1 ALA 35 HB1 ALA 35 170.604 -0.922 -1.457 235 HB2 ALA 35 HB2 ALA 35 171.449 -1.979 -2.588 236 HB3 ALA 35 HB3 ALA 35 171.801 -0.251 -2.564 237 H PHE 36 H PHE 36 174.978 -2.154 -1.412 238 HA PHE 36 HA PHE 36 176.093 0.562 -1.559 239 HB2 PHE 36 HB2 PHE 36 177.128 -0.847 0.142 240 HB3 PHE 36 HB3 PHE 36 177.465 -2.088 -1.059 241 HD1 PHE 36 HD1 PHE 36 178.071 1.569 -0.608 242 HD2 PHE 36 HD2 PHE 36 179.619 -2.205 -1.812 243 HE1 PHE 36 HE1 PHE 36 180.249 2.616 -1.071 244 HE2 PHE 36 HE2 PHE 36 181.802 -1.168 -2.276 245 HZ PHE 36 HZ PHE 36 182.118 1.246 -1.906 246 H HIS 37 H HIS 37 176.682 1.335 -3.466 247 HA HIS 37 HA HIS 37 177.291 -0.544 -5.647 248 HB2 HIS 37 HB2 HIS 37 175.147 1.254 -5.490 249 HB3 HIS 37 HB3 HIS 37 176.314 2.006 -6.562 250 HD1 HIS 37 HD1 HIS 37 173.433 0.232 -6.946 251 HD2 HIS 37 HD2 HIS 37 177.280 -0.465 -8.350 252 HE1 HIS 37 HE1 HIS 37 173.158 -1.294 -8.924 253 HE2 HIS 37 HE2 HIS 37 175.507 -1.804 -9.676 254 H GLY 38 H GLY 38 179.286 -0.190 -6.601 255 HA2 GLY 38 HA2 GLY 38 180.378 2.500 -6.605 256 HA3 GLY 38 HA3 GLY 38 181.213 1.389 -5.538 257 H LYS 39 H LYS 39 181.894 2.870 -8.086 258 HA LYS 39 HA LYS 39 182.913 0.553 -9.592 259 HB2 LYS 39 HB2 LYS 39 181.304 2.524 -10.584 260 HB3 LYS 39 HB3 LYS 39 182.897 3.165 -10.957 261 HG2 LYS 39 HG2 LYS 39 181.986 0.401 -11.718 262 HG3 LYS 39 HG3 LYS 39 181.857 1.809 -12.772 263 HD2 LYS 39 HD2 LYS 39 184.348 2.108 -12.466 264 HD3 LYS 39 HD3 LYS 39 184.356 0.518 -11.703 265 HE2 LYS 39 HE2 LYS 39 184.901 0.082 -13.930 266 HE3 LYS 39 HE3 LYS 39 183.183 -0.301 -13.825 267 HZ1 LYS 39 HZ1 LYS 39 183.450 0.955 -15.770 268 HZ2 LYS 39 HZ2 LYS 39 184.445 2.096 -15.017 269 HZ3 LYS 39 HZ3 LYS 39 182.796 2.036 -14.645 270 H LEU 40 H LEU 40 185.075 0.413 -9.913 271 HA LEU 40 HA LEU 40 186.740 2.333 -8.499 272 HB2 LEU 40 HB2 LEU 40 187.138 0.010 -8.028 273 HB3 LEU 40 HB3 LEU 40 187.326 -0.354 -9.732 274 HG LEU 40 HG LEU 40 189.312 1.417 -9.494 275 HD11 LEU 40 HD11 LEU 40 190.144 1.744 -7.438 276 HD12 LEU 40 HD12 LEU 40 189.779 0.099 -6.917 277 HD13 LEU 40 HD13 LEU 40 188.516 1.330 -6.902 278 HD21 LEU 40 HD21 LEU 40 189.688 -0.748 -10.367 279 HD22 LEU 40 HD22 LEU 40 189.331 -1.514 -8.819 280 HD23 LEU 40 HD23 LEU 40 190.803 -0.563 -9.014 281 H ASN 41 H ASN 41 187.870 3.876 -9.459 282 HA ASN 41 HA ASN 41 188.927 5.137 -11.025 283 HB2 ASN 41 HB2 ASN 41 190.037 2.798 -11.395 284 HB3 ASN 41 HB3 ASN 41 189.099 2.793 -12.886 285 HD21 ASN 41 HD21 ASN 41 191.892 2.755 -12.783 286 HD22 ASN 41 HD22 ASN 41 192.483 4.224 -13.475 287 H GLU 42 H GLU 42 186.268 5.450 -11.040 288 HA GLU 42 HA GLU 42 185.661 6.661 -13.407 289 HB2 GLU 42 HB2 GLU 42 185.699 4.469 -14.498 290 HB3 GLU 42 HB3 GLU 42 184.505 3.866 -13.358 291 HG2 GLU 42 HG2 GLU 42 182.877 5.466 -14.207 292 HG3 GLU 42 HG3 GLU 42 184.075 6.090 -15.338 293 H GLU 43 H GLU 43 184.428 8.136 -12.504 294 HA GLU 43 HA GLU 43 182.910 7.904 -10.212 295 HB2 GLU 43 HB2 GLU 43 182.364 9.781 -12.512 296 HB3 GLU 43 HB3 GLU 43 181.838 9.992 -10.846 297 HG2 GLU 43 HG2 GLU 43 184.155 10.159 -10.130 298 HG3 GLU 43 HG3 GLU 43 184.677 9.932 -11.790 299 H MET 44 H MET 44 180.426 8.725 -10.493 300 HA MET 44 HA MET 44 179.076 6.712 -12.163 301 HB2 MET 44 HB2 MET 44 177.834 7.428 -9.562 302 HB3 MET 44 HB3 MET 44 177.813 5.903 -10.435 303 HG2 MET 44 HG2 MET 44 180.430 6.708 -9.359 304 HG3 MET 44 HG3 MET 44 179.194 6.343 -8.167 305 HE1 MET 44 HE1 MET 44 177.465 4.434 -9.007 306 HE2 MET 44 HE2 MET 44 178.335 3.498 -7.791 307 HE3 MET 44 HE3 MET 44 178.047 2.815 -9.392 308 H ASP 45 H ASP 45 177.917 7.773 -13.629 309 HA ASP 45 HA ASP 45 177.003 10.442 -13.204 310 HB2 ASP 45 HB2 ASP 45 175.901 9.514 -15.566 311 HB3 ASP 45 HB3 ASP 45 177.397 10.407 -15.403 312 H GLY 46 H GLY 46 175.748 9.267 -11.279 313 HA2 GLY 46 HA2 GLY 46 173.586 9.332 -10.464 314 HA3 GLY 46 HA3 GLY 46 173.005 9.237 -12.102 315 H LEU 47 H LEU 47 173.769 7.572 -9.304 316 HA LEU 47 HA LEU 47 174.026 5.309 -8.820 317 HB2 LEU 47 HB2 LEU 47 171.265 5.131 -9.877 318 HB3 LEU 47 HB3 LEU 47 171.915 4.633 -8.329 319 HG LEU 47 HG LEU 47 171.518 7.516 -9.100 320 HD11 LEU 47 HD11 LEU 47 169.438 7.534 -8.093 321 HD12 LEU 47 HD12 LEU 47 169.740 6.046 -7.196 322 HD13 LEU 47 HD13 LEU 47 169.419 5.983 -8.930 323 HD21 LEU 47 HD21 LEU 47 173.164 6.658 -7.254 324 HD22 LEU 47 HD22 LEU 47 171.682 6.466 -6.314 325 HD23 LEU 47 HD23 LEU 47 172.122 8.051 -6.954 326 H GLU 48 H GLU 48 175.535 4.689 -10.485 327 HA GLU 48 HA GLU 48 174.347 3.249 -12.750 328 HB2 GLU 48 HB2 GLU 48 177.167 4.183 -12.206 329 HB3 GLU 48 HB3 GLU 48 176.744 3.139 -13.556 330 HG2 GLU 48 HG2 GLU 48 175.112 5.559 -13.345 331 HG3 GLU 48 HG3 GLU 48 176.826 5.851 -13.639 332 H ALA 49 H ALA 49 175.172 1.117 -13.289 333 HA ALA 49 HA ALA 49 175.018 -0.710 -11.246 334 HB1 ALA 49 HB1 ALA 49 175.715 -2.370 -12.798 335 HB2 ALA 49 HB2 ALA 49 176.550 -1.177 -13.790 336 HB3 ALA 49 HB3 ALA 49 174.789 -1.168 -13.697 337 H GLY 50 H GLY 50 177.762 1.128 -12.292 338 HA2 GLY 50 HA2 GLY 50 179.985 1.101 -11.696 339 HA3 GLY 50 HA3 GLY 50 179.314 0.895 -10.087 340 H HIS 51 H HIS 51 180.319 -0.653 -9.038 341 HA HIS 51 HA HIS 51 180.784 -3.212 -10.374 342 HB2 HIS 51 HB2 HIS 51 182.831 -1.390 -9.345 343 HB3 HIS 51 HB3 HIS 51 182.956 -3.014 -8.678 344 HD1 HIS 51 HD1 HIS 51 182.574 -1.457 -12.136 345 HD2 HIS 51 HD2 HIS 51 184.441 -4.642 -10.232 346 HE1 HIS 51 HE1 HIS 51 183.928 -2.604 -13.918 347 HE2 HIS 51 HE2 HIS 51 185.123 -4.472 -12.721 348 H TRP 52 H TRP 52 181.599 -1.866 -7.187 349 HA TRP 52 HA TRP 52 180.746 -4.154 -5.774 350 HB2 TRP 52 HB2 TRP 52 181.120 -1.306 -4.814 351 HB3 TRP 52 HB3 TRP 52 180.931 -2.710 -3.766 352 HD1 TRP 52 HD1 TRP 52 182.911 -4.726 -4.387 353 HE1 TRP 52 HE1 TRP 52 185.433 -4.324 -4.632 354 HE3 TRP 52 HE3 TRP 52 182.845 0.298 -5.325 355 HZ2 TRP 52 HZ2 TRP 52 187.181 -2.155 -5.147 356 HZ3 TRP 52 HZ3 TRP 52 184.984 1.459 -5.686 357 HH2 TRP 52 HH2 TRP 52 187.106 0.257 -5.597 358 H ALA 53 H ALA 53 178.676 -4.563 -6.672 359 HA ALA 53 HA ALA 53 176.540 -2.801 -5.659 360 HB1 ALA 53 HB1 ALA 53 175.957 -4.645 -7.901 361 HB2 ALA 53 HB2 ALA 53 176.968 -3.245 -8.251 362 HB3 ALA 53 HB3 ALA 53 175.352 -3.020 -7.581 363 H ARG 54 H ARG 54 176.217 -3.868 -3.699 364 HA ARG 54 HA ARG 54 174.939 -6.482 -3.948 365 HB2 ARG 54 HB2 ARG 54 177.265 -6.878 -3.370 366 HB3 ARG 54 HB3 ARG 54 177.130 -5.806 -1.994 367 HG2 ARG 54 HG2 ARG 54 176.890 -7.831 -0.964 368 HG3 ARG 54 HG3 ARG 54 175.201 -7.447 -1.299 369 HD2 ARG 54 HD2 ARG 54 176.978 -9.161 -3.033 370 HD3 ARG 54 HD3 ARG 54 175.786 -9.770 -1.887 371 HE ARG 54 HE ARG 54 175.282 -8.665 -4.497 372 HH11 ARG 54 HH11 ARG 54 173.921 -9.344 -1.356 373 HH12 ARG 54 HH12 ARG 54 172.288 -9.375 -1.932 374 HH21 ARG 54 HH21 ARG 54 173.135 -8.702 -5.255 375 HH22 ARG 54 HH22 ARG 54 171.841 -9.010 -4.145 376 H ASP 55 H ASP 55 173.061 -6.539 -2.918 377 HA ASP 55 HA ASP 55 172.344 -4.405 -1.077 378 HB2 ASP 55 HB2 ASP 55 170.067 -5.536 -1.242 379 HB3 ASP 55 HB3 ASP 55 170.685 -4.803 -2.714 380 H ILE 56 H ILE 56 172.125 -4.648 1.073 381 HA ILE 56 HA ILE 56 172.372 -7.376 2.167 382 HB ILE 56 HB ILE 56 173.197 -4.904 3.664 383 HG12 ILE 56 HG12 ILE 56 174.942 -6.622 1.884 384 HG13 ILE 56 HG13 ILE 56 174.486 -4.951 1.572 385 HG21 ILE 56 HG21 ILE 56 174.528 -7.503 4.048 386 HG22 ILE 56 HG22 ILE 56 172.833 -7.424 4.530 387 HG23 ILE 56 HG23 ILE 56 174.003 -6.308 5.234 388 HD11 ILE 56 HD11 ILE 56 176.459 -4.490 2.512 389 HD12 ILE 56 HD12 ILE 56 176.546 -6.048 3.335 390 HD13 ILE 56 HD13 ILE 56 175.596 -4.735 4.031 391 H THR 57 H THR 57 171.057 -7.975 3.869 392 HA THR 57 HA THR 57 169.043 -6.026 4.757 393 HB THR 57 HB THR 57 168.121 -8.819 4.430 394 HG1 THR 57 HG1 THR 57 168.841 -7.177 2.264 395 HG21 THR 57 HG21 THR 57 166.160 -7.560 3.397 396 HG22 THR 57 HG22 THR 57 166.946 -6.101 3.999 397 HG23 THR 57 HG23 THR 57 166.446 -7.362 5.125 398 H LYS 58 H LYS 58 171.499 -7.182 5.986 399 HA LYS 58 HA LYS 58 170.294 -7.893 8.522 400 HB2 LYS 58 HB2 LYS 58 172.123 -9.776 7.032 401 HB3 LYS 58 HB3 LYS 58 171.813 -9.900 8.758 402 HG2 LYS 58 HG2 LYS 58 169.693 -10.045 6.625 403 HG3 LYS 58 HG3 LYS 58 170.451 -11.441 7.389 404 HD2 LYS 58 HD2 LYS 58 169.477 -9.564 9.361 405 HD3 LYS 58 HD3 LYS 58 168.189 -10.069 8.267 406 HE2 LYS 58 HE2 LYS 58 168.237 -12.221 8.987 407 HE3 LYS 58 HE3 LYS 58 169.973 -12.193 9.292 408 HZ1 LYS 58 HZ1 LYS 58 168.411 -12.325 11.284 409 HZ2 LYS 58 HZ2 LYS 58 168.096 -10.687 11.004 410 HZ3 LYS 58 HZ3 LYS 58 169.670 -11.197 11.355 411 HA PRO 59 HA PRO 59 173.799 -4.953 9.059 412 HB2 PRO 59 HB2 PRO 59 172.505 -4.961 11.743 413 HB3 PRO 59 HB3 PRO 59 173.065 -3.594 10.772 414 HG2 PRO 59 HG2 PRO 59 170.467 -4.153 10.967 415 HG3 PRO 59 HG3 PRO 59 171.166 -3.607 9.433 416 HD2 PRO 59 HD2 PRO 59 170.317 -6.345 10.260 417 HD3 PRO 59 HD3 PRO 59 170.228 -5.568 8.667 418 H LYS 60 H LYS 60 175.192 -4.776 11.222 419 HA LYS 60 HA LYS 60 175.976 -7.536 11.925 420 HB2 LYS 60 HB2 LYS 60 177.670 -6.301 10.611 421 HB3 LYS 60 HB3 LYS 60 177.701 -5.050 11.846 422 HG2 LYS 60 HG2 LYS 60 178.218 -7.818 12.743 423 HG3 LYS 60 HG3 LYS 60 179.461 -7.047 11.754 424 HD2 LYS 60 HD2 LYS 60 179.520 -5.157 13.312 425 HD3 LYS 60 HD3 LYS 60 178.280 -5.931 14.298 426 HE2 LYS 60 HE2 LYS 60 179.719 -7.644 14.975 427 HE3 LYS 60 HE3 LYS 60 180.857 -7.325 13.666 428 HZ1 LYS 60 HZ1 LYS 60 181.844 -6.473 15.598 429 HZ2 LYS 60 HZ2 LYS 60 180.415 -5.737 16.124 430 HZ3 LYS 60 HZ3 LYS 60 181.243 -5.114 14.789 431 H GLU 61 H GLU 61 175.887 -4.215 13.118 432 HA GLU 61 HA GLU 61 174.636 -4.756 15.524 433 HB2 GLU 61 HB2 GLU 61 176.771 -5.950 16.057 434 HB3 GLU 61 HB3 GLU 61 177.624 -4.423 15.863 435 HG2 GLU 61 HG2 GLU 61 176.251 -3.481 17.696 436 HG3 GLU 61 HG3 GLU 61 175.537 -5.075 17.931 437 H GLY 62 H GLY 62 173.615 -2.938 14.629 438 HA2 GLY 62 HA2 GLY 62 173.157 -0.678 14.669 439 HA3 GLY 62 HA3 GLY 62 174.609 -0.453 15.643 440 H ARG 63 H ARG 63 175.469 -2.249 13.010 441 HA ARG 63 HA ARG 63 175.749 -0.118 11.088 442 HB2 ARG 63 HB2 ARG 63 177.607 0.205 12.813 443 HB3 ARG 63 HB3 ARG 63 178.290 -1.294 12.197 444 HG2 ARG 63 HG2 ARG 63 178.047 -0.044 9.886 445 HG3 ARG 63 HG3 ARG 63 178.118 1.380 10.926 446 HD2 ARG 63 HD2 ARG 63 180.133 -0.847 11.076 447 HD3 ARG 63 HD3 ARG 63 180.325 0.539 10.004 448 HE ARG 63 HE ARG 63 180.629 0.497 12.873 449 HH11 ARG 63 HH11 ARG 63 180.102 2.483 10.050 450 HH12 ARG 63 HH12 ARG 63 180.701 3.923 10.800 451 HH21 ARG 63 HH21 ARG 63 181.412 2.393 13.859 452 HH22 ARG 63 HH22 ARG 63 181.442 3.873 12.963 453 H TRP 64 H TRP 64 176.102 -0.896 9.021 454 HA TRP 64 HA TRP 64 176.005 -3.780 8.739 455 HB2 TRP 64 HB2 TRP 64 175.936 -1.713 6.553 456 HB3 TRP 64 HB3 TRP 64 175.443 -3.383 6.457 457 HD1 TRP 64 HD1 TRP 64 174.349 -0.371 8.662 458 HE1 TRP 64 HE1 TRP 64 171.784 -0.389 8.781 459 HE3 TRP 64 HE3 TRP 64 173.411 -4.507 5.799 460 HZ2 TRP 64 HZ2 TRP 64 169.642 -1.923 7.794 461 HZ3 TRP 64 HZ3 TRP 64 171.070 -5.179 5.439 462 HH2 TRP 64 HH2 TRP 64 169.224 -3.913 6.419 463 H THR 65 H THR 65 177.411 -4.905 7.330 464 HA THR 65 HA THR 65 179.982 -3.600 6.784 465 HB THR 65 HB THR 65 179.931 -6.412 7.822 466 HG1 THR 65 HG1 THR 65 180.090 -4.090 9.440 467 HG21 THR 65 HG21 THR 65 182.120 -6.224 7.662 468 HG22 THR 65 HG22 THR 65 182.085 -4.886 8.809 469 HG23 THR 65 HG23 THR 65 181.956 -4.570 7.077 470 H PHE 66 H PHE 66 180.480 -3.818 4.715 471 HA PHE 66 HA PHE 66 179.487 -6.188 3.273 472 HB2 PHE 66 HB2 PHE 66 178.500 -4.113 2.435 473 HB3 PHE 66 HB3 PHE 66 180.105 -3.431 2.192 474 HD1 PHE 66 HD1 PHE 66 178.825 -6.826 1.384 475 HD2 PHE 66 HD2 PHE 66 180.290 -3.114 -0.094 476 HE1 PHE 66 HE1 PHE 66 178.874 -7.758 -0.892 477 HE2 PHE 66 HE2 PHE 66 180.340 -4.037 -2.374 478 HZ PHE 66 HZ PHE 66 179.632 -6.361 -2.776 479 H ARG 67 H ARG 67 181.099 -7.616 3.163 480 HA ARG 67 HA ARG 67 183.822 -6.649 2.647 481 HB2 ARG 67 HB2 ARG 67 182.686 -8.900 4.136 482 HB3 ARG 67 HB3 ARG 67 184.036 -9.356 3.107 483 HG2 ARG 67 HG2 ARG 67 184.660 -6.944 4.528 484 HG3 ARG 67 HG3 ARG 67 184.130 -8.195 5.654 485 HD2 ARG 67 HD2 ARG 67 186.126 -8.831 3.516 486 HD3 ARG 67 HD3 ARG 67 186.640 -8.033 5.002 487 HE ARG 67 HE ARG 67 185.915 -10.778 4.688 488 HH11 ARG 67 HH11 ARG 67 185.960 -8.122 6.952 489 HH12 ARG 67 HH12 ARG 67 186.004 -9.149 8.346 490 HH21 ARG 67 HH21 ARG 67 185.972 -12.128 6.520 491 HH22 ARG 67 HH22 ARG 67 186.013 -11.422 8.102 492 H ASP 68 H ASP 68 184.970 -7.251 0.874 493 HA ASP 68 HA ASP 68 183.747 -9.132 -1.014 494 HB2 ASP 68 HB2 ASP 68 183.518 -6.447 -1.415 495 HB3 ASP 68 HB3 ASP 68 185.023 -6.784 -2.264 496 H ARG 69 H ARG 69 185.234 -10.708 -1.006 497 HA ARG 69 HA ARG 69 188.069 -10.075 -0.897 498 HB2 ARG 69 HB2 ARG 69 186.825 -12.813 -1.118 499 HB3 ARG 69 HB3 ARG 69 188.431 -12.402 -0.531 500 HG2 ARG 69 HG2 ARG 69 187.650 -12.313 1.533 501 HG3 ARG 69 HG3 ARG 69 186.568 -10.999 1.068 502 HD2 ARG 69 HD2 ARG 69 185.769 -13.776 0.377 503 HD3 ARG 69 HD3 ARG 69 185.664 -13.284 2.067 504 HE ARG 69 HE ARG 69 184.420 -11.276 0.729 505 HH11 ARG 69 HH11 ARG 69 184.028 -14.743 0.796 506 HH12 ARG 69 HH12 ARG 69 182.331 -14.683 0.461 507 HH21 ARG 69 HH21 ARG 69 182.188 -11.195 0.285 508 HH22 ARG 69 HH22 ARG 69 181.285 -12.669 0.170 509 H ASN 70 H ASN 70 186.343 -9.530 -3.323 510 HA ASN 70 HA ASN 70 188.103 -10.865 -5.255 511 HB2 ASN 70 HB2 ASN 70 185.169 -11.002 -5.091 512 HB3 ASN 70 HB3 ASN 70 185.783 -10.580 -6.686 513 HD21 ASN 70 HD21 ASN 70 185.962 -12.273 -7.942 514 HD22 ASN 70 HD22 ASN 70 186.442 -13.861 -7.459 515 H ALA 71 H ALA 71 188.143 -8.204 -4.045 516 HA ALA 71 HA ALA 71 187.439 -6.472 -6.301 517 HB1 ALA 71 HB1 ALA 71 187.832 -4.615 -4.767 518 HB2 ALA 71 HB2 ALA 71 188.356 -5.747 -3.519 519 HB3 ALA 71 HB3 ALA 71 186.686 -5.769 -4.085 520 H LYS 72 H LYS 72 189.023 -6.696 -7.807 521 HA LYS 72 HA LYS 72 191.794 -6.887 -7.130 522 HB2 LYS 72 HB2 LYS 72 190.874 -7.900 -9.175 523 HB3 LYS 72 HB3 LYS 72 190.485 -6.300 -9.792 524 HG2 LYS 72 HG2 LYS 72 192.855 -5.729 -9.829 525 HG3 LYS 72 HG3 LYS 72 193.253 -7.327 -9.195 526 HD2 LYS 72 HD2 LYS 72 191.798 -6.834 -11.790 527 HD3 LYS 72 HD3 LYS 72 193.534 -7.123 -11.659 528 HE2 LYS 72 HE2 LYS 72 192.803 -9.261 -10.366 529 HE3 LYS 72 HE3 LYS 72 191.256 -8.996 -11.169 530 HZ1 LYS 72 HZ1 LYS 72 192.781 -8.806 -13.262 531 HZ2 LYS 72 HZ2 LYS 72 192.306 -10.321 -12.680 532 HZ3 LYS 72 HZ3 LYS 72 193.849 -9.725 -12.324 533 H LEU 73 H LEU 73 191.843 -4.957 -5.752 534 HA LEU 73 HA LEU 73 191.780 -2.396 -7.143 535 HB2 LEU 73 HB2 LEU 73 192.486 -2.862 -4.257 536 HB3 LEU 73 HB3 LEU 73 191.928 -1.378 -5.005 537 HG LEU 73 HG LEU 73 189.981 -3.498 -5.329 538 HD11 LEU 73 HD11 LEU 73 191.300 -3.881 -3.018 539 HD12 LEU 73 HD12 LEU 73 189.582 -4.215 -3.231 540 HD13 LEU 73 HD13 LEU 73 190.102 -2.697 -2.496 541 HD21 LEU 73 HD21 LEU 73 188.764 -1.610 -3.868 542 HD22 LEU 73 HD22 LEU 73 189.026 -1.468 -5.606 543 HD23 LEU 73 HD23 LEU 73 190.127 -0.672 -4.480 544 H LYS 74 H LYS 74 193.545 -1.025 -7.348 545 HA LYS 74 HA LYS 74 196.172 -2.173 -6.700 546 HB2 LYS 74 HB2 LYS 74 195.381 -2.312 -9.191 547 HB3 LYS 74 HB3 LYS 74 195.779 -0.599 -9.221 548 HG2 LYS 74 HG2 LYS 74 198.051 -1.011 -8.780 549 HG3 LYS 74 HG3 LYS 74 197.737 -2.682 -8.306 550 HD2 LYS 74 HD2 LYS 74 198.402 -3.146 -10.408 551 HD3 LYS 74 HD3 LYS 74 196.754 -2.674 -10.832 552 HE2 LYS 74 HE2 LYS 74 197.938 -1.368 -12.289 553 HE3 LYS 74 HE3 LYS 74 197.814 -0.270 -10.914 554 HZ1 LYS 74 HZ1 LYS 74 200.027 -1.022 -10.210 555 HZ2 LYS 74 HZ2 LYS 74 200.058 -0.298 -11.737 556 HZ3 LYS 74 HZ3 LYS 74 200.143 -1.982 -11.598 557 H LEU 75 H LEU 75 197.693 -0.766 -5.981 558 HA LEU 75 HA LEU 75 196.947 1.576 -4.721 559 HB2 LEU 75 HB2 LEU 75 199.169 0.076 -4.718 560 HB3 LEU 75 HB3 LEU 75 199.737 1.389 -5.730 561 HG LEU 75 HG LEU 75 198.468 2.003 -3.090 562 HD11 LEU 75 HD11 LEU 75 200.009 0.659 -2.135 563 HD12 LEU 75 HD12 LEU 75 201.067 2.037 -2.441 564 HD13 LEU 75 HD13 LEU 75 201.058 0.669 -3.552 565 HD21 LEU 75 HD21 LEU 75 199.339 3.600 -5.066 566 HD22 LEU 75 HD22 LEU 75 200.830 3.430 -4.138 567 HD23 LEU 75 HD23 LEU 75 199.375 4.056 -3.363 568 H GLY 76 H GLY 76 196.700 3.643 -5.284 569 HA2 GLY 76 HA2 GLY 76 197.294 5.578 -6.574 570 HA3 GLY 76 HA3 GLY 76 197.678 4.508 -7.915 571 H ASP 77 H ASP 77 195.233 2.924 -7.490 572 HA ASP 77 HA ASP 77 193.551 4.323 -9.240 573 HB2 ASP 77 HB2 ASP 77 193.769 1.792 -8.918 574 HB3 ASP 77 HB3 ASP 77 192.684 1.996 -7.548 575 H LYS 78 H LYS 78 191.393 5.052 -8.898 576 HA LYS 78 HA LYS 78 190.942 6.060 -6.166 577 HB2 LYS 78 HB2 LYS 78 191.247 7.584 -8.324 578 HB3 LYS 78 HB3 LYS 78 189.538 7.227 -8.530 579 HG2 LYS 78 HG2 LYS 78 189.225 9.021 -7.237 580 HG3 LYS 78 HG3 LYS 78 189.627 7.936 -5.906 581 HD2 LYS 78 HD2 LYS 78 191.159 9.533 -5.440 582 HD3 LYS 78 HD3 LYS 78 192.100 8.676 -6.662 583 HE2 LYS 78 HE2 LYS 78 190.280 10.646 -7.799 584 HE3 LYS 78 HE3 LYS 78 191.454 11.354 -6.691 585 HZ1 LYS 78 HZ1 LYS 78 191.877 10.065 -9.272 586 HZ2 LYS 78 HZ2 LYS 78 193.055 9.799 -8.088 587 HZ3 LYS 78 HZ3 LYS 78 192.684 11.377 -8.571 588 H ILE 79 H ILE 79 188.690 6.276 -5.503 589 HA ILE 79 HA ILE 79 186.999 4.167 -6.660 590 HB ILE 79 HB ILE 79 187.402 4.903 -3.782 591 HG12 ILE 79 HG12 ILE 79 187.364 2.136 -4.154 592 HG13 ILE 79 HG13 ILE 79 188.218 2.758 -5.561 593 HG21 ILE 79 HG21 ILE 79 185.068 4.736 -3.876 594 HG22 ILE 79 HG22 ILE 79 185.600 3.129 -3.382 595 HG23 ILE 79 HG23 ILE 79 185.122 3.425 -5.053 596 HD11 ILE 79 HD11 ILE 79 189.495 2.135 -3.377 597 HD12 ILE 79 HD12 ILE 79 188.985 3.744 -2.865 598 HD13 ILE 79 HD13 ILE 79 189.963 3.551 -4.320 599 H TYR 80 H TYR 80 184.795 4.469 -6.776 600 HA TYR 80 HA TYR 80 183.662 7.036 -5.985 601 HB2 TYR 80 HB2 TYR 80 183.777 6.022 -8.826 602 HB3 TYR 80 HB3 TYR 80 182.562 7.182 -8.296 603 HD1 TYR 80 HD1 TYR 80 183.694 9.200 -6.851 604 HD2 TYR 80 HD2 TYR 80 185.600 6.925 -9.899 605 HE1 TYR 80 HE1 TYR 80 185.282 11.041 -7.225 606 HE2 TYR 80 HE2 TYR 80 187.193 8.758 -10.281 607 HH TYR 80 HH TYR 80 187.688 11.233 -8.170 608 H PHE 81 H PHE 81 181.623 6.714 -5.134 609 HA PHE 81 HA PHE 81 179.978 4.565 -6.143 610 HB2 PHE 81 HB2 PHE 81 179.813 3.556 -3.765 611 HB3 PHE 81 HB3 PHE 81 181.177 3.124 -4.777 612 HD1 PHE 81 HD1 PHE 81 180.410 6.016 -2.545 613 HD2 PHE 81 HD2 PHE 81 183.083 2.853 -3.526 614 HE1 PHE 81 HE1 PHE 81 181.935 6.759 -0.767 615 HE2 PHE 81 HE2 PHE 81 184.611 3.590 -1.743 616 HZ PHE 81 HZ PHE 81 184.038 5.546 -0.363 617 H TRP 82 H TRP 82 178.174 4.119 -4.457 618 HA TRP 82 HA TRP 82 177.242 6.446 -3.028 619 HB2 TRP 82 HB2 TRP 82 175.101 6.599 -4.197 620 HB3 TRP 82 HB3 TRP 82 176.426 6.899 -5.313 621 HD1 TRP 82 HD1 TRP 82 176.943 4.953 -7.137 622 HE1 TRP 82 HE1 TRP 82 175.388 3.182 -8.172 623 HE3 TRP 82 HE3 TRP 82 173.148 5.102 -3.715 624 HZ2 TRP 82 HZ2 TRP 82 172.888 2.004 -7.615 625 HZ3 TRP 82 HZ3 TRP 82 171.208 3.623 -4.041 626 HH2 TRP 82 HH2 TRP 82 171.083 2.105 -5.951 627 H THR 83 H THR 83 176.088 5.813 -1.268 628 HA THR 83 HA THR 83 175.614 2.922 -1.019 629 HB THR 83 HB THR 83 175.190 3.813 1.477 630 HG1 THR 83 HG1 THR 83 176.563 5.537 1.901 631 HG21 THR 83 HG21 THR 83 176.884 2.166 0.896 632 HG22 THR 83 HG22 THR 83 177.516 3.376 2.012 633 HG23 THR 83 HG23 THR 83 177.935 3.452 0.300 634 H TYR 84 H TYR 84 173.641 2.153 0.017 635 HA TYR 84 HA TYR 84 171.399 4.031 -0.105 636 HB2 TYR 84 HB2 TYR 84 171.576 2.810 -2.268 637 HB3 TYR 84 HB3 TYR 84 171.398 1.300 -1.387 638 HD1 TYR 84 HD1 TYR 84 169.567 4.494 -0.866 639 HD2 TYR 84 HD2 TYR 84 169.363 0.456 -2.191 640 HE1 TYR 84 HE1 TYR 84 167.123 4.688 -1.066 641 HE2 TYR 84 HE2 TYR 84 166.919 0.639 -2.396 642 HH TYR 84 HH TYR 84 165.287 3.277 -2.650 643 H VAL 85 H VAL 85 169.844 3.683 1.419 644 HA VAL 85 HA VAL 85 169.989 1.211 2.991 645 HB VAL 85 HB VAL 85 170.742 2.250 4.812 646 HG11 VAL 85 HG11 VAL 85 171.049 4.801 4.807 647 HG12 VAL 85 HG12 VAL 85 170.538 4.715 3.123 648 HG13 VAL 85 HG13 VAL 85 171.978 3.845 3.652 649 HG21 VAL 85 HG21 VAL 85 168.438 2.473 5.485 650 HG22 VAL 85 HG22 VAL 85 168.286 3.991 4.598 651 HG23 VAL 85 HG23 VAL 85 169.338 3.895 6.010 652 H ILE 86 H ILE 86 168.007 0.836 4.283 653 HA ILE 86 HA ILE 86 165.640 2.243 3.255 654 HB ILE 86 HB ILE 86 165.772 -0.759 3.514 655 HG12 ILE 86 HG12 ILE 86 167.140 0.079 1.642 656 HG13 ILE 86 HG13 ILE 86 165.744 -0.846 1.100 657 HG21 ILE 86 HG21 ILE 86 163.608 1.118 3.294 658 HG22 ILE 86 HG22 ILE 86 163.556 -0.628 3.530 659 HG23 ILE 86 HG23 ILE 86 163.628 0.038 1.900 660 HD11 ILE 86 HD11 ILE 86 166.473 1.888 0.558 661 HD12 ILE 86 HD12 ILE 86 164.819 1.737 1.150 662 HD13 ILE 86 HD13 ILE 86 165.335 0.828 -0.271 663 H LYS 87 H LYS 87 164.881 3.166 5.027 664 HA LYS 87 HA LYS 87 164.852 1.678 7.548 665 HB2 LYS 87 HB2 LYS 87 165.753 4.109 7.257 666 HB3 LYS 87 HB3 LYS 87 164.056 4.558 7.274 667 HG2 LYS 87 HG2 LYS 87 164.656 2.774 9.453 668 HG3 LYS 87 HG3 LYS 87 165.731 4.175 9.467 669 HD2 LYS 87 HD2 LYS 87 163.949 5.684 9.645 670 HD3 LYS 87 HD3 LYS 87 162.766 4.485 9.122 671 HE2 LYS 87 HE2 LYS 87 163.511 3.220 11.275 672 HE3 LYS 87 HE3 LYS 87 164.099 4.804 11.778 673 HZ1 LYS 87 HZ1 LYS 87 161.650 3.991 12.272 674 HZ2 LYS 87 HZ2 LYS 87 161.374 4.658 10.742 675 HZ3 LYS 87 HZ3 LYS 87 162.009 5.618 11.980 676 H ASP 88 H ASP 88 163.096 0.501 6.074 677 HA ASP 88 HA ASP 88 160.923 -0.173 5.997 678 HB2 ASP 88 HB2 ASP 88 161.110 0.819 8.479 679 HB3 ASP 88 HB3 ASP 88 159.953 1.970 7.818 680 H GLY 89 H GLY 89 161.297 0.890 3.817 681 HA2 GLY 89 HA2 GLY 89 160.279 1.975 2.058 682 HA3 GLY 89 HA3 GLY 89 158.982 2.421 3.157 683 H LEU 90 H LEU 90 162.267 3.244 3.918 684 HA LEU 90 HA LEU 90 161.947 5.963 2.894 685 HB2 LEU 90 HB2 LEU 90 162.811 5.579 5.739 686 HB3 LEU 90 HB3 LEU 90 162.224 7.036 4.952 687 HG LEU 90 HG LEU 90 160.491 4.634 5.472 688 HD11 LEU 90 HD11 LEU 90 159.825 5.477 7.499 689 HD12 LEU 90 HD12 LEU 90 160.305 7.125 7.097 690 HD13 LEU 90 HD13 LEU 90 161.532 5.925 7.509 691 HD21 LEU 90 HD21 LEU 90 159.398 7.359 5.206 692 HD22 LEU 90 HD22 LEU 90 158.782 5.821 4.600 693 HD23 LEU 90 HD23 LEU 90 160.084 6.649 3.744 694 H GLY 91 H GLY 91 163.576 4.919 1.505 695 HA2 GLY 91 HA2 GLY 91 166.133 4.432 2.688 696 HA3 GLY 91 HA3 GLY 91 165.732 4.227 1.002 697 H TYR 92 H TYR 92 168.089 5.306 1.859 698 HA TYR 92 HA TYR 92 168.027 7.892 0.546 699 HB2 TYR 92 HB2 TYR 92 169.021 7.566 3.387 700 HB3 TYR 92 HB3 TYR 92 169.389 8.957 2.373 701 HD1 TYR 92 HD1 TYR 92 166.659 7.134 4.073 702 HD2 TYR 92 HD2 TYR 92 167.811 10.709 2.076 703 HE1 TYR 92 HE1 TYR 92 164.570 8.207 4.802 704 HE2 TYR 92 HE2 TYR 92 165.726 11.793 2.801 705 HH TYR 92 HH TYR 92 163.120 10.329 3.735 706 H ARG 93 H ARG 93 170.184 8.512 -0.233 707 HA ARG 93 HA ARG 93 172.151 6.363 0.067 708 HB2 ARG 93 HB2 ARG 93 172.679 6.454 -2.301 709 HB3 ARG 93 HB3 ARG 93 170.974 6.068 -2.058 710 HG2 ARG 93 HG2 ARG 93 171.676 8.919 -2.432 711 HG3 ARG 93 HG3 ARG 93 171.797 7.857 -3.837 712 HD2 ARG 93 HD2 ARG 93 169.503 7.228 -3.651 713 HD3 ARG 93 HD3 ARG 93 169.350 8.031 -2.089 714 HE ARG 93 HE ARG 93 170.057 10.048 -3.736 715 HH11 ARG 93 HH11 ARG 93 167.564 7.611 -3.904 716 HH12 ARG 93 HH12 ARG 93 166.472 8.613 -4.800 717 HH21 ARG 93 HH21 ARG 93 168.622 11.367 -4.914 718 HH22 ARG 93 HH22 ARG 93 167.072 10.746 -5.372 719 H GLN 94 H GLN 94 174.282 6.871 -0.124 720 HA GLN 94 HA GLN 94 174.914 9.732 0.078 721 HB2 GLN 94 HB2 GLN 94 175.574 7.987 1.919 722 HB3 GLN 94 HB3 GLN 94 176.842 7.541 0.784 723 HG2 GLN 94 HG2 GLN 94 177.170 10.199 0.797 724 HG3 GLN 94 HG3 GLN 94 176.530 9.969 2.421 725 HE21 GLN 94 HE21 GLN 94 178.991 8.744 0.195 726 HE22 GLN 94 HE22 GLN 94 180.171 8.399 1.409 727 H ASP 95 H ASP 95 174.673 9.808 -2.242 728 HA ASP 95 HA ASP 95 176.504 8.340 -3.898 729 HB2 ASP 95 HB2 ASP 95 175.564 9.725 -5.735 730 HB3 ASP 95 HB3 ASP 95 174.332 8.900 -4.788 731 H ASN 96 H ASN 96 177.648 9.752 -5.660 732 HA ASN 96 HA ASN 96 179.412 11.089 -6.165 733 HB2 ASN 96 HB2 ASN 96 177.834 12.903 -5.705 734 HB3 ASN 96 HB3 ASN 96 178.229 12.826 -3.993 735 HD21 ASN 96 HD21 ASN 96 179.848 13.169 -7.131 736 HD22 ASN 96 HD22 ASN 96 180.967 14.381 -6.615 737 H GLY 97 H GLY 97 179.412 9.110 -3.789 738 HA2 GLY 97 HA2 GLY 97 181.369 10.137 -1.972 739 HA3 GLY 97 HA3 GLY 97 180.862 8.460 -2.111 740 H GLU 98 H GLU 98 183.490 9.115 -1.655 741 HA GLU 98 HA GLU 98 184.719 7.954 -4.011 742 HB2 GLU 98 HB2 GLU 98 184.808 10.476 -4.267 743 HB3 GLU 98 HB3 GLU 98 185.871 10.497 -2.866 744 HG2 GLU 98 HG2 GLU 98 187.344 8.879 -4.164 745 HG3 GLU 98 HG3 GLU 98 186.373 9.308 -5.571 746 H TRP 99 H TRP 99 186.795 7.064 -3.621 747 HA TRP 99 HA TRP 99 187.867 7.103 -0.940 748 HB2 TRP 99 HB2 TRP 99 186.111 5.408 -0.759 749 HB3 TRP 99 HB3 TRP 99 186.784 4.545 -2.130 750 HD1 TRP 99 HD1 TRP 99 188.485 5.852 1.113 751 HE1 TRP 99 HE1 TRP 99 189.786 3.884 2.142 752 HE3 TRP 99 HE3 TRP 99 187.201 2.207 -2.222 753 HZ2 TRP 99 HZ2 TRP 99 190.204 1.153 1.604 754 HZ3 TRP 99 HZ3 TRP 99 188.090 -0.061 -1.896 755 HH2 TRP 99 HH2 TRP 99 189.558 -0.577 -0.022 756 H THR 100 H THR 100 189.923 5.721 -0.850 757 HA THR 100 HA THR 100 191.300 5.975 -3.439 758 HB THR 100 HB THR 100 191.976 7.402 -1.458 759 HG1 THR 100 HG1 THR 100 193.377 6.913 -3.247 760 HG21 THR 100 HG21 THR 100 192.530 6.510 0.490 761 HG22 THR 100 HG22 THR 100 193.761 5.515 -0.286 762 HG23 THR 100 HG23 THR 100 192.110 4.911 -0.131 763 H VAL 101 H VAL 101 193.135 4.590 -3.831 764 HA VAL 101 HA VAL 101 192.886 1.901 -2.646 765 HB VAL 101 HB VAL 101 193.794 2.437 -5.473 766 HG11 VAL 101 HG11 VAL 101 193.283 -0.038 -5.648 767 HG12 VAL 101 HG12 VAL 101 193.169 -0.040 -3.886 768 HG13 VAL 101 HG13 VAL 101 194.684 0.406 -4.672 769 HG21 VAL 101 HG21 VAL 101 191.069 1.695 -4.421 770 HG22 VAL 101 HG22 VAL 101 191.560 1.410 -6.088 771 HG23 VAL 101 HG23 VAL 101 191.498 3.055 -5.458 772 H THR 102 H THR 102 194.845 4.590 -3.113 773 HA THR 102 HA THR 102 197.377 3.503 -3.536 774 HB THR 102 HB THR 102 198.186 5.611 -2.384 775 HG1 THR 102 HG1 THR 102 196.792 6.604 -1.202 776 HG21 THR 102 HG21 THR 102 197.103 7.172 -4.054 777 HG22 THR 102 HG22 THR 102 196.220 5.764 -4.640 778 HG23 THR 102 HG23 THR 102 197.982 5.791 -4.709 779 H GLU 103 H GLU 103 195.348 3.200 -0.836 780 HA GLU 103 HA GLU 103 197.631 2.278 0.782 781 HB2 GLU 103 HB2 GLU 103 195.796 4.319 1.413 782 HB3 GLU 103 HB3 GLU 103 195.336 2.940 2.403 783 HG2 GLU 103 HG2 GLU 103 196.863 3.734 3.823 784 HG3 GLU 103 HG3 GLU 103 198.022 2.950 2.749 785 H PHE 104 H PHE 104 197.052 0.586 2.382 786 HA PHE 104 HA PHE 104 194.696 -0.988 1.665 787 HB2 PHE 104 HB2 PHE 104 197.548 -1.991 1.653 788 HB3 PHE 104 HB3 PHE 104 196.148 -3.059 1.694 789 HD1 PHE 104 HD1 PHE 104 194.551 -3.044 -0.234 790 HD2 PHE 104 HD2 PHE 104 198.303 -1.038 -0.359 791 HE1 PHE 104 HE1 PHE 104 194.426 -2.972 -2.690 792 HE2 PHE 104 HE2 PHE 104 198.184 -0.962 -2.816 793 HZ PHE 104 HZ PHE 104 196.245 -1.930 -3.988 794 H VAL 105 H VAL 105 193.963 -2.320 3.383 795 HA VAL 105 HA VAL 105 195.096 -1.512 5.944 796 HB VAL 105 HB VAL 105 193.043 -2.095 7.000 797 HG11 VAL 105 HG11 VAL 105 191.650 -0.499 6.086 798 HG12 VAL 105 HG12 VAL 105 192.063 -0.930 4.427 799 HG13 VAL 105 HG13 VAL 105 193.217 -0.040 5.421 800 HG21 VAL 105 HG21 VAL 105 192.387 -4.144 6.082 801 HG22 VAL 105 HG22 VAL 105 192.443 -3.533 4.430 802 HG23 VAL 105 HG23 VAL 105 191.148 -3.026 5.514 803 H ASN 106 H ASN 106 194.060 -3.681 7.495 804 HA ASN 106 HA ASN 106 195.962 -5.775 6.685 805 HB2 ASN 106 HB2 ASN 106 196.000 -4.380 8.968 806 HB3 ASN 106 HB3 ASN 106 194.906 -5.670 9.452 807 HD21 ASN 106 HD21 ASN 106 196.315 -6.591 10.885 808 HD22 ASN 106 HD22 ASN 106 197.748 -7.423 10.397 809 H GLU 107 H GLU 107 195.421 -7.918 6.742 810 HA GLU 107 HA GLU 107 192.816 -8.651 6.080 811 HB2 GLU 107 HB2 GLU 107 193.589 -10.992 6.753 812 HB3 GLU 107 HB3 GLU 107 194.535 -10.178 5.513 813 HG2 GLU 107 HG2 GLU 107 196.369 -10.037 6.810 814 HG3 GLU 107 HG3 GLU 107 195.440 -9.777 8.285 815 H ASP 108 H ASP 108 194.262 -7.906 9.083 816 HA ASP 108 HA ASP 108 192.573 -9.373 10.824 817 HB2 ASP 108 HB2 ASP 108 194.805 -7.853 11.169 818 HB3 ASP 108 HB3 ASP 108 193.567 -6.755 11.768 819 H GLY 109 H GLY 109 192.259 -6.349 9.089 820 HA2 GLY 109 HA2 GLY 109 189.928 -5.728 8.584 821 HA3 GLY 109 HA3 GLY 109 189.563 -6.057 10.269 822 H THR 110 H THR 110 192.565 -4.467 9.678 823 HA THR 110 HA THR 110 191.339 -1.846 10.004 824 HB THR 110 HB THR 110 192.474 -1.217 11.925 825 HG1 THR 110 HG1 THR 110 194.071 -3.547 11.650 826 HG21 THR 110 HG21 THR 110 192.215 -3.112 13.594 827 HG22 THR 110 HG22 THR 110 191.615 -4.071 12.242 828 HG23 THR 110 HG23 THR 110 190.768 -2.603 12.725 829 HA PRO 111 HA PRO 111 194.133 -0.131 7.248 830 HB2 PRO 111 HB2 PRO 111 194.829 1.862 9.351 831 HB3 PRO 111 HB3 PRO 111 194.283 2.120 7.690 832 HG2 PRO 111 HG2 PRO 111 192.616 2.470 9.737 833 HG3 PRO 111 HG3 PRO 111 192.058 1.735 8.222 834 HD2 PRO 111 HD2 PRO 111 192.678 0.442 10.839 835 HD3 PRO 111 HD3 PRO 111 191.429 0.037 9.658 836 H ALA 112 H ALA 112 195.531 -2.044 7.566 837 HA ALA 112 HA ALA 112 197.688 -2.760 7.445 838 HB1 ALA 112 HB1 ALA 112 198.042 -0.088 7.469 839 HB2 ALA 112 HB2 ALA 112 199.354 -1.266 7.391 840 HB3 ALA 112 HB3 ALA 112 198.904 -0.547 8.939 841 H ASP 113 H ASP 113 199.686 -2.905 9.211 842 HA ASP 113 HA ASP 113 198.397 -3.729 11.732 843 HB2 ASP 113 HB2 ASP 113 199.246 -5.571 10.159 844 HB3 ASP 113 HB3 ASP 113 200.864 -5.028 10.590 845 H THR 114 H THR 114 198.886 -2.023 13.025 846 HA THR 114 HA THR 114 201.365 -0.650 12.997 847 HB THR 114 HB THR 114 200.440 0.003 15.410 848 HG1 THR 114 HG1 THR 114 198.789 -1.523 15.447 849 HG21 THR 114 HG21 THR 114 198.633 1.420 14.011 850 HG22 THR 114 HG22 THR 114 199.738 0.943 12.722 851 HG23 THR 114 HG23 THR 114 200.345 1.830 14.120 852 H SER 115 H SER 115 200.218 -3.494 14.632 853 HA SER 115 HA SER 115 201.253 -5.035 15.946 854 HB2 SER 115 HB2 SER 115 203.495 -3.717 14.526 855 HB3 SER 115 HB3 SER 115 203.928 -4.616 15.981 856 HG SER 115 HG SER 115 203.522 -5.611 13.620 857 H LEU 116 H LEU 116 203.174 -5.074 17.768 858 HA LEU 116 HA LEU 116 203.743 -4.445 19.876 859 HB2 LEU 116 HB2 LEU 116 204.105 -2.195 18.316 860 HB3 LEU 116 HB3 LEU 116 203.105 -1.606 19.630 861 HG LEU 116 HG LEU 116 205.681 -3.111 20.065 862 HD11 LEU 116 HD11 LEU 116 205.243 -0.129 20.095 863 HD12 LEU 116 HD12 LEU 116 206.083 -1.021 18.825 864 HD13 LEU 116 HD13 LEU 116 206.745 -0.979 20.459 865 HD21 LEU 116 HD21 LEU 116 205.377 -2.778 22.276 866 HD22 LEU 116 HD22 LEU 116 203.677 -2.706 21.812 867 HD23 LEU 116 HD23 LEU 116 204.594 -1.217 22.045 868 H GLU 117 H GLU 117 201.983 -5.510 20.817 869 HA GLU 117 HA GLU 117 200.120 -3.742 22.149 870 HB2 GLU 117 HB2 GLU 117 199.305 -5.021 19.797 871 HB3 GLU 117 HB3 GLU 117 198.609 -5.980 21.095 872 HG2 GLU 117 HG2 GLU 117 197.937 -3.572 21.988 873 HG3 GLU 117 HG3 GLU 117 198.035 -3.198 20.268 874 HA PRO 118 HA PRO 118 200.853 -6.473 25.540 875 HB2 PRO 118 HB2 PRO 118 197.950 -6.121 26.117 876 HB3 PRO 118 HB3 PRO 118 199.346 -5.886 27.175 877 HG2 PRO 118 HG2 PRO 118 198.056 -3.796 26.152 878 HG3 PRO 118 HG3 PRO 118 199.824 -3.790 26.302 879 HD2 PRO 118 HD2 PRO 118 198.126 -4.177 23.878 880 HD3 PRO 118 HD3 PRO 118 199.688 -3.349 24.044 Start of MODEL 18 1 H GLN 6 H GLN 6 163.104 12.951 10.325 2 HA GLN 6 HA GLN 6 163.161 11.699 7.675 3 HB2 GLN 6 HB2 GLN 6 163.111 14.593 8.487 4 HB3 GLN 6 HB3 GLN 6 163.950 14.090 7.027 5 HG2 GLN 6 HG2 GLN 6 161.270 12.992 7.196 6 HG3 GLN 6 HG3 GLN 6 161.287 14.754 7.240 7 HE21 GLN 6 HE21 GLN 6 162.947 15.673 5.579 8 HE22 GLN 6 HE22 GLN 6 162.804 15.024 3.983 9 H TYR 7 H TYR 7 164.832 10.369 8.540 10 HA TYR 7 HA TYR 7 167.144 11.506 9.782 11 HB2 TYR 7 HB2 TYR 7 166.374 9.170 10.149 12 HB3 TYR 7 HB3 TYR 7 166.850 8.777 8.508 13 HD1 TYR 7 HD1 TYR 7 168.354 10.436 11.509 14 HD2 TYR 7 HD2 TYR 7 168.858 7.669 8.316 15 HE1 TYR 7 HE1 TYR 7 170.619 9.921 12.320 16 HE2 TYR 7 HE2 TYR 7 171.124 7.146 9.118 17 HH TYR 7 HH TYR 7 172.724 9.027 11.457 18 H VAL 8 H VAL 8 169.342 10.793 8.783 19 HA VAL 8 HA VAL 8 169.383 11.725 5.987 20 HB VAL 8 HB VAL 8 171.591 12.101 8.008 21 HG11 VAL 8 HG11 VAL 8 171.118 13.127 5.220 22 HG12 VAL 8 HG12 VAL 8 172.474 12.169 5.816 23 HG13 VAL 8 HG13 VAL 8 172.292 13.849 6.318 24 HG21 VAL 8 HG21 VAL 8 170.673 14.594 7.593 25 HG22 VAL 8 HG22 VAL 8 170.149 13.574 8.932 26 HG23 VAL 8 HG23 VAL 8 169.163 13.689 7.475 27 H VAL 9 H VAL 9 171.233 10.981 4.704 28 HA VAL 9 HA VAL 9 171.513 8.180 4.786 29 HB VAL 9 HB VAL 9 173.354 10.039 3.302 30 HG11 VAL 9 HG11 VAL 9 173.979 8.252 2.100 31 HG12 VAL 9 HG12 VAL 9 172.360 7.557 2.086 32 HG13 VAL 9 HG13 VAL 9 173.398 7.349 3.496 33 HG21 VAL 9 HG21 VAL 9 170.794 9.038 2.124 34 HG22 VAL 9 HG22 VAL 9 171.818 10.364 1.593 35 HG23 VAL 9 HG23 VAL 9 170.828 10.540 3.038 36 HA PRO 10 HA PRO 10 174.835 7.847 7.779 37 HB2 PRO 10 HB2 PRO 10 175.577 5.284 7.088 38 HB3 PRO 10 HB3 PRO 10 174.269 5.680 8.200 39 HG2 PRO 10 HG2 PRO 10 174.146 4.936 5.313 40 HG3 PRO 10 HG3 PRO 10 173.061 4.475 6.637 41 HD2 PRO 10 HD2 PRO 10 172.402 6.376 4.847 42 HD3 PRO 10 HD3 PRO 10 171.898 6.469 6.546 43 H SER 11 H SER 11 177.151 6.794 7.635 44 HA SER 11 HA SER 11 178.394 7.827 5.183 45 HB2 SER 11 HB2 SER 11 178.874 8.908 7.462 46 HB3 SER 11 HB3 SER 11 179.800 7.452 7.813 47 HG SER 11 HG SER 11 180.223 9.233 5.643 48 H ALA 12 H ALA 12 178.957 6.249 3.832 49 HA ALA 12 HA ALA 12 179.552 3.597 4.809 50 HB1 ALA 12 HB1 ALA 12 179.254 2.874 2.673 51 HB2 ALA 12 HB2 ALA 12 180.002 4.305 1.966 52 HB3 ALA 12 HB3 ALA 12 178.351 4.385 2.580 53 H LYS 13 H LYS 13 181.477 3.211 5.671 54 HA LYS 13 HA LYS 13 183.836 4.660 4.813 55 HB2 LYS 13 HB2 LYS 13 183.084 2.946 7.081 56 HB3 LYS 13 HB3 LYS 13 184.740 2.729 6.534 57 HG2 LYS 13 HG2 LYS 13 185.397 4.695 7.363 58 HG3 LYS 13 HG3 LYS 13 183.950 5.527 6.790 59 HD2 LYS 13 HD2 LYS 13 182.708 4.428 8.691 60 HD3 LYS 13 HD3 LYS 13 184.278 3.908 9.309 61 HE2 LYS 13 HE2 LYS 13 184.952 6.079 9.779 62 HE3 LYS 13 HE3 LYS 13 183.788 6.788 8.660 63 HZ1 LYS 13 HZ1 LYS 13 183.362 5.779 11.389 64 HZ2 LYS 13 HZ2 LYS 13 182.075 5.770 10.293 65 HZ3 LYS 13 HZ3 LYS 13 182.838 7.226 10.687 66 H LEU 14 H LEU 14 185.869 3.410 4.308 67 HA LEU 14 HA LEU 14 185.473 0.784 3.157 68 HB2 LEU 14 HB2 LEU 14 186.013 3.215 1.477 69 HB3 LEU 14 HB3 LEU 14 186.473 1.607 0.946 70 HG LEU 14 HG LEU 14 183.852 1.219 1.603 71 HD11 LEU 14 HD11 LEU 14 182.846 3.238 0.227 72 HD12 LEU 14 HD12 LEU 14 184.240 4.079 0.905 73 HD13 LEU 14 HD13 LEU 14 183.061 3.321 1.975 74 HD21 LEU 14 HD21 LEU 14 183.511 0.908 -0.672 75 HD22 LEU 14 HD22 LEU 14 185.252 0.693 -0.503 76 HD23 LEU 14 HD23 LEU 14 184.608 2.214 -1.119 77 H GLU 15 H GLU 15 187.284 -0.406 3.054 78 HA GLU 15 HA GLU 15 189.886 0.898 3.421 79 HB2 GLU 15 HB2 GLU 15 188.685 -1.288 5.103 80 HB3 GLU 15 HB3 GLU 15 190.428 -1.125 4.944 81 HG2 GLU 15 HG2 GLU 15 190.489 0.862 6.097 82 HG3 GLU 15 HG3 GLU 15 188.805 1.244 5.738 83 H ALA 16 H ALA 16 191.517 -0.020 2.198 84 HA ALA 16 HA ALA 16 190.667 -2.056 0.308 85 HB1 ALA 16 HB1 ALA 16 192.111 0.101 -0.115 86 HB2 ALA 16 HB2 ALA 16 192.383 -1.376 -1.041 87 HB3 ALA 16 HB3 ALA 16 193.438 -0.976 0.312 88 H ILE 17 H ILE 17 190.837 -4.115 0.762 89 HA ILE 17 HA ILE 17 192.780 -5.058 2.716 90 HB ILE 17 HB ILE 17 190.767 -6.768 1.270 91 HG12 ILE 17 HG12 ILE 17 189.604 -4.809 2.249 92 HG13 ILE 17 HG13 ILE 17 189.166 -6.317 3.047 93 HG21 ILE 17 HG21 ILE 17 190.935 -7.726 3.777 94 HG22 ILE 17 HG22 ILE 17 192.552 -7.048 3.599 95 HG23 ILE 17 HG23 ILE 17 191.973 -8.260 2.457 96 HD11 ILE 17 HD11 ILE 17 189.454 -4.908 4.831 97 HD12 ILE 17 HD12 ILE 17 190.778 -4.031 4.065 98 HD13 ILE 17 HD13 ILE 17 191.052 -5.647 4.716 99 H TYR 18 H TYR 18 194.746 -5.546 2.005 100 HA TYR 18 HA TYR 18 195.210 -6.358 -0.731 101 HB2 TYR 18 HB2 TYR 18 196.712 -5.028 1.190 102 HB3 TYR 18 HB3 TYR 18 197.484 -6.606 1.088 103 HD1 TYR 18 HD1 TYR 18 195.839 -4.760 -1.685 104 HD2 TYR 18 HD2 TYR 18 199.511 -6.050 0.034 105 HE1 TYR 18 HE1 TYR 18 197.033 -4.040 -3.710 106 HE2 TYR 18 HE2 TYR 18 200.714 -5.335 -1.987 107 HH TYR 18 HH TYR 18 199.161 -4.574 -4.880 108 HA PRO 19 HA PRO 19 196.609 -7.354 -1.846 109 HB2 PRO 19 HB2 PRO 19 197.067 -9.412 -3.479 110 HB3 PRO 19 HB3 PRO 19 198.152 -9.059 -2.130 111 HG2 PRO 19 HG2 PRO 19 196.132 -11.212 -2.420 112 HG3 PRO 19 HG3 PRO 19 197.651 -11.209 -1.510 113 HD2 PRO 19 HD2 PRO 19 195.025 -10.763 -0.502 114 HD3 PRO 19 HD3 PRO 19 196.554 -10.618 0.380 115 H ARG 20 H ARG 20 193.815 -9.143 -1.304 116 HA ARG 20 HA ARG 20 192.481 -7.897 -3.492 117 HB2 ARG 20 HB2 ARG 20 193.068 -10.808 -3.480 118 HB3 ARG 20 HB3 ARG 20 191.481 -10.302 -4.042 119 HG2 ARG 20 HG2 ARG 20 192.338 -9.850 -6.029 120 HG3 ARG 20 HG3 ARG 20 193.380 -8.629 -5.296 121 HD2 ARG 20 HD2 ARG 20 195.119 -9.880 -5.890 122 HD3 ARG 20 HD3 ARG 20 194.597 -11.061 -4.691 123 HE ARG 20 HE ARG 20 194.293 -11.229 -7.565 124 HH11 ARG 20 HH11 ARG 20 193.305 -12.477 -4.456 125 HH12 ARG 20 HH12 ARG 20 192.749 -13.984 -5.100 126 HH21 ARG 20 HH21 ARG 20 193.563 -13.211 -8.408 127 HH22 ARG 20 HH22 ARG 20 192.895 -14.401 -7.341 128 H GLY 21 H GLY 21 191.219 -6.886 -1.946 129 HA2 GLY 21 HA2 GLY 21 188.906 -8.281 -1.114 130 HA3 GLY 21 HA3 GLY 21 189.985 -8.083 0.247 131 H LEU 22 H LEU 22 187.619 -6.957 0.556 132 HA LEU 22 HA LEU 22 188.238 -4.128 0.578 133 HB2 LEU 22 HB2 LEU 22 186.822 -5.038 -1.563 134 HB3 LEU 22 HB3 LEU 22 185.526 -4.648 -0.448 135 HG LEU 22 HG LEU 22 186.110 -2.816 -2.038 136 HD11 LEU 22 HD11 LEU 22 185.449 -1.285 -0.538 137 HD12 LEU 22 HD12 LEU 22 186.775 -1.645 0.569 138 HD13 LEU 22 HD13 LEU 22 185.337 -2.666 0.554 139 HD21 LEU 22 HD21 LEU 22 188.156 -1.890 -2.184 140 HD22 LEU 22 HD22 LEU 22 188.686 -3.443 -1.538 141 HD23 LEU 22 HD23 LEU 22 188.476 -2.065 -0.458 142 H ARG 23 H ARG 23 187.154 -2.999 2.178 143 HA ARG 23 HA ARG 23 185.199 -4.496 3.783 144 HB2 ARG 23 HB2 ARG 23 187.421 -4.682 4.847 145 HB3 ARG 23 HB3 ARG 23 187.530 -2.928 4.903 146 HG2 ARG 23 HG2 ARG 23 185.757 -2.779 6.469 147 HG3 ARG 23 HG3 ARG 23 185.337 -4.480 6.251 148 HD2 ARG 23 HD2 ARG 23 187.022 -5.206 7.585 149 HD3 ARG 23 HD3 ARG 23 188.109 -3.905 7.101 150 HE ARG 23 HE ARG 23 185.934 -2.961 8.693 151 HH11 ARG 23 HH11 ARG 23 189.054 -4.516 8.845 152 HH12 ARG 23 HH12 ARG 23 189.388 -3.970 10.454 153 HH21 ARG 23 HH21 ARG 23 186.371 -2.240 10.808 154 HH22 ARG 23 HH22 ARG 23 187.865 -2.677 11.569 155 H VAL 24 H VAL 24 183.379 -3.342 3.618 156 HA VAL 24 HA VAL 24 183.558 -0.415 3.935 157 HB VAL 24 HB VAL 24 181.480 -1.895 2.324 158 HG11 VAL 24 HG11 VAL 24 181.894 0.926 1.766 159 HG12 VAL 24 HG12 VAL 24 181.381 0.631 3.427 160 HG13 VAL 24 HG13 VAL 24 180.401 0.042 2.085 161 HG21 VAL 24 HG21 VAL 24 184.113 -0.746 1.573 162 HG22 VAL 24 HG22 VAL 24 182.770 -0.563 0.445 163 HG23 VAL 24 HG23 VAL 24 183.282 -2.172 0.954 164 H SER 25 H SER 25 182.078 0.583 5.268 165 HA SER 25 HA SER 25 179.992 -1.035 6.522 166 HB2 SER 25 HB2 SER 25 181.560 0.635 8.404 167 HB3 SER 25 HB3 SER 25 180.787 -0.928 8.658 168 HG SER 25 HG SER 25 182.646 -1.816 8.309 169 H ILE 26 H ILE 26 178.257 0.153 7.346 170 HA ILE 26 HA ILE 26 178.356 3.081 6.980 171 HB ILE 26 HB ILE 26 176.056 3.009 6.025 172 HG12 ILE 26 HG12 ILE 26 176.065 0.398 4.926 173 HG13 ILE 26 HG13 ILE 26 176.333 0.228 6.656 174 HG21 ILE 26 HG21 ILE 26 177.537 3.442 4.361 175 HG22 ILE 26 HG22 ILE 26 176.912 1.899 3.781 176 HG23 ILE 26 HG23 ILE 26 178.455 1.961 4.633 177 HD11 ILE 26 HD11 ILE 26 174.298 1.238 7.182 178 HD12 ILE 26 HD12 ILE 26 173.934 0.186 5.814 179 HD13 ILE 26 HD13 ILE 26 174.118 1.923 5.567 180 HA PRO 27 HA PRO 27 176.746 2.970 11.175 181 HB2 PRO 27 HB2 PRO 27 175.668 5.596 10.257 182 HB3 PRO 27 HB3 PRO 27 176.535 5.197 11.742 183 HG2 PRO 27 HG2 PRO 27 177.765 6.452 9.738 184 HG3 PRO 27 HG3 PRO 27 178.603 5.221 10.703 185 HD2 PRO 27 HD2 PRO 27 177.536 5.051 7.931 186 HD3 PRO 27 HD3 PRO 27 178.929 4.233 8.660 187 H ASP 28 H ASP 28 175.081 1.553 11.313 188 HA ASP 28 HA ASP 28 172.710 1.794 9.728 189 HB2 ASP 28 HB2 ASP 28 173.573 -0.401 10.422 190 HB3 ASP 28 HB3 ASP 28 173.287 0.017 12.106 191 H ASP 29 H ASP 29 170.604 2.158 10.453 192 HA ASP 29 HA ASP 29 170.256 3.336 13.103 193 HB2 ASP 29 HB2 ASP 29 170.623 5.011 10.998 194 HB3 ASP 29 HB3 ASP 29 168.880 4.783 10.915 195 H GLY 30 H GLY 30 169.486 0.841 12.395 196 HA2 GLY 30 HA2 GLY 30 167.669 -0.532 12.576 197 HA3 GLY 30 HA3 GLY 30 166.707 0.904 12.865 198 H PHE 31 H PHE 31 168.664 0.408 9.999 199 HA PHE 31 HA PHE 31 166.424 0.902 8.300 200 HB2 PHE 31 HB2 PHE 31 169.112 -0.151 7.430 201 HB3 PHE 31 HB3 PHE 31 167.946 0.737 6.460 202 HD1 PHE 31 HD1 PHE 31 167.242 2.967 8.201 203 HD2 PHE 31 HD2 PHE 31 171.023 1.150 7.499 204 HE1 PHE 31 HE1 PHE 31 168.361 5.079 8.784 205 HE2 PHE 31 HE2 PHE 31 172.150 3.256 8.082 206 HZ PHE 31 HZ PHE 31 170.818 5.224 8.725 207 H SER 32 H SER 32 166.670 -0.691 6.187 208 HA SER 32 HA SER 32 166.272 -3.429 7.137 209 HB2 SER 32 HB2 SER 32 164.265 -1.651 6.043 210 HB3 SER 32 HB3 SER 32 164.450 -3.086 5.035 211 HG SER 32 HG SER 32 164.164 -3.227 7.846 212 H LEU 33 H LEU 33 167.258 -1.214 4.591 213 HA LEU 33 HA LEU 33 168.551 -3.526 3.298 214 HB2 LEU 33 HB2 LEU 33 166.372 -2.843 2.102 215 HB3 LEU 33 HB3 LEU 33 167.265 -1.424 1.613 216 HG LEU 33 HG LEU 33 169.033 -3.168 0.776 217 HD11 LEU 33 HD11 LEU 33 167.572 -5.039 1.751 218 HD12 LEU 33 HD12 LEU 33 168.245 -5.252 0.133 219 HD13 LEU 33 HD13 LEU 33 166.555 -4.783 0.332 220 HD21 LEU 33 HD21 LEU 33 167.188 -1.565 -0.419 221 HD22 LEU 33 HD22 LEU 33 166.763 -3.150 -1.067 222 HD23 LEU 33 HD23 LEU 33 168.402 -2.524 -1.267 223 H PHE 34 H PHE 34 170.595 -3.194 2.869 224 HA PHE 34 HA PHE 34 171.587 -0.438 2.645 225 HB2 PHE 34 HB2 PHE 34 172.467 -1.284 4.649 226 HB3 PHE 34 HB3 PHE 34 172.727 -2.874 3.971 227 HD1 PHE 34 HD1 PHE 34 173.733 0.357 2.471 228 HD2 PHE 34 HD2 PHE 34 174.999 -3.208 4.418 229 HE1 PHE 34 HE1 PHE 34 176.076 0.926 1.984 230 HE2 PHE 34 HE2 PHE 34 177.344 -2.646 3.935 231 HZ PHE 34 HZ PHE 34 177.886 -0.575 2.714 232 H ALA 35 H ALA 35 171.540 -0.309 0.407 233 HA ALA 35 HA ALA 35 172.981 -2.366 -1.108 234 HB1 ALA 35 HB1 ALA 35 170.639 -0.810 -1.625 235 HB2 ALA 35 HB2 ALA 35 171.323 -2.136 -2.566 236 HB3 ALA 35 HB3 ALA 35 171.845 -0.479 -2.869 237 H PHE 36 H PHE 36 175.051 -1.980 -1.478 238 HA PHE 36 HA PHE 36 175.958 0.806 -1.692 239 HB2 PHE 36 HB2 PHE 36 177.056 -0.463 0.070 240 HB3 PHE 36 HB3 PHE 36 177.502 -1.721 -1.076 241 HD1 PHE 36 HD1 PHE 36 177.771 2.004 -1.073 242 HD2 PHE 36 HD2 PHE 36 179.757 -1.740 -1.456 243 HE1 PHE 36 HE1 PHE 36 179.887 3.177 -1.528 244 HE2 PHE 36 HE2 PHE 36 181.875 -0.575 -1.912 245 HZ PHE 36 HZ PHE 36 181.942 1.885 -1.949 246 H HIS 37 H HIS 37 176.592 1.574 -3.594 247 HA HIS 37 HA HIS 37 177.245 -0.304 -5.758 248 HB2 HIS 37 HB2 HIS 37 175.314 1.827 -5.555 249 HB3 HIS 37 HB3 HIS 37 176.475 2.178 -6.814 250 HD1 HIS 37 HD1 HIS 37 175.691 -1.390 -6.267 251 HD2 HIS 37 HD2 HIS 37 174.352 1.707 -8.689 252 HE1 HIS 37 HE1 HIS 37 174.294 -2.484 -8.047 253 HE2 HIS 37 HE2 HIS 37 173.416 -0.581 -9.441 254 H GLY 38 H GLY 38 179.326 -0.057 -6.559 255 HA2 GLY 38 HA2 GLY 38 180.510 2.605 -6.489 256 HA3 GLY 38 HA3 GLY 38 181.289 1.411 -5.471 257 H LYS 39 H LYS 39 181.841 2.978 -8.105 258 HA LYS 39 HA LYS 39 182.797 0.681 -9.671 259 HB2 LYS 39 HB2 LYS 39 181.282 2.246 -10.858 260 HB3 LYS 39 HB3 LYS 39 182.423 3.548 -10.557 261 HG2 LYS 39 HG2 LYS 39 182.606 2.660 -12.829 262 HG3 LYS 39 HG3 LYS 39 184.096 2.443 -11.909 263 HD2 LYS 39 HD2 LYS 39 183.443 0.113 -11.447 264 HD3 LYS 39 HD3 LYS 39 181.989 0.341 -12.420 265 HE2 LYS 39 HE2 LYS 39 184.696 0.894 -13.574 266 HE3 LYS 39 HE3 LYS 39 184.081 -0.756 -13.491 267 HZ1 LYS 39 HZ1 LYS 39 183.282 -0.165 -15.510 268 HZ2 LYS 39 HZ2 LYS 39 183.182 1.481 -15.136 269 HZ3 LYS 39 HZ3 LYS 39 181.995 0.414 -14.576 270 H LEU 40 H LEU 40 184.944 0.514 -10.211 271 HA LEU 40 HA LEU 40 186.762 2.148 -8.623 272 HB2 LEU 40 HB2 LEU 40 186.979 -0.288 -8.535 273 HB3 LEU 40 HB3 LEU 40 187.253 -0.335 -10.265 274 HG LEU 40 HG LEU 40 189.341 0.960 -9.946 275 HD11 LEU 40 HD11 LEU 40 188.666 2.076 -7.851 276 HD12 LEU 40 HD12 LEU 40 190.245 1.297 -7.739 277 HD13 LEU 40 HD13 LEU 40 188.832 0.536 -7.007 278 HD21 LEU 40 HD21 LEU 40 190.414 -0.968 -8.450 279 HD22 LEU 40 HD22 LEU 40 189.910 -1.229 -10.118 280 HD23 LEU 40 HD23 LEU 40 188.857 -1.722 -8.792 281 H ASN 41 H ASN 41 187.665 3.889 -9.479 282 HA ASN 41 HA ASN 41 188.632 5.334 -10.945 283 HB2 ASN 41 HB2 ASN 41 190.152 3.418 -11.380 284 HB3 ASN 41 HB3 ASN 41 189.073 2.881 -12.663 285 HD21 ASN 41 HD21 ASN 41 191.394 3.175 -13.606 286 HD22 ASN 41 HD22 ASN 41 191.649 4.677 -14.420 287 H GLU 42 H GLU 42 186.200 5.852 -11.067 288 HA GLU 42 HA GLU 42 185.544 6.763 -13.568 289 HB2 GLU 42 HB2 GLU 42 185.269 4.460 -14.302 290 HB3 GLU 42 HB3 GLU 42 184.179 4.134 -12.961 291 HG2 GLU 42 HG2 GLU 42 182.582 5.747 -13.880 292 HG3 GLU 42 HG3 GLU 42 183.674 6.039 -15.234 293 H GLU 43 H GLU 43 184.539 8.483 -12.850 294 HA GLU 43 HA GLU 43 183.216 8.799 -10.442 295 HB2 GLU 43 HB2 GLU 43 182.628 10.340 -12.971 296 HB3 GLU 43 HB3 GLU 43 182.343 10.877 -11.322 297 HG2 GLU 43 HG2 GLU 43 184.717 10.913 -10.888 298 HG3 GLU 43 HG3 GLU 43 185.033 10.284 -12.498 299 H MET 44 H MET 44 180.783 9.910 -10.824 300 HA MET 44 HA MET 44 179.089 7.914 -12.119 301 HB2 MET 44 HB2 MET 44 178.386 8.748 -9.330 302 HB3 MET 44 HB3 MET 44 177.881 7.322 -10.224 303 HG2 MET 44 HG2 MET 44 180.250 6.506 -10.049 304 HG3 MET 44 HG3 MET 44 180.542 7.841 -8.936 305 HE1 MET 44 HE1 MET 44 179.673 4.194 -9.182 306 HE2 MET 44 HE2 MET 44 178.082 4.825 -9.607 307 HE3 MET 44 HE3 MET 44 178.308 3.947 -8.093 308 H ASP 45 H ASP 45 177.143 8.674 -12.812 309 HA ASP 45 HA ASP 45 176.348 11.390 -12.087 310 HB2 ASP 45 HB2 ASP 45 177.751 11.397 -14.209 311 HB3 ASP 45 HB3 ASP 45 176.450 10.490 -14.966 312 H GLY 46 H GLY 46 175.259 9.040 -11.197 313 HA2 GLY 46 HA2 GLY 46 172.603 9.275 -11.351 314 HA3 GLY 46 HA3 GLY 46 172.994 8.333 -12.779 315 H LEU 47 H LEU 47 172.063 6.410 -12.134 316 HA LEU 47 HA LEU 47 173.236 5.165 -9.758 317 HB2 LEU 47 HB2 LEU 47 170.563 4.678 -11.058 318 HB3 LEU 47 HB3 LEU 47 171.171 3.887 -9.625 319 HG LEU 47 HG LEU 47 170.936 6.863 -9.691 320 HD11 LEU 47 HD11 LEU 47 168.738 6.556 -10.161 321 HD12 LEU 47 HD12 LEU 47 168.668 6.213 -8.431 322 HD13 LEU 47 HD13 LEU 47 168.733 4.886 -9.591 323 HD21 LEU 47 HD21 LEU 47 170.461 5.043 -7.362 324 HD22 LEU 47 HD22 LEU 47 171.003 6.722 -7.380 325 HD23 LEU 47 HD23 LEU 47 172.102 5.434 -7.877 326 H GLU 48 H GLU 48 175.008 4.473 -11.106 327 HA GLU 48 HA GLU 48 174.347 2.400 -13.072 328 HB2 GLU 48 HB2 GLU 48 176.796 4.060 -12.561 329 HB3 GLU 48 HB3 GLU 48 176.903 2.573 -13.494 330 HG2 GLU 48 HG2 GLU 48 175.259 3.449 -15.075 331 HG3 GLU 48 HG3 GLU 48 175.161 4.941 -14.141 332 H ALA 49 H ALA 49 175.306 0.344 -12.994 333 HA ALA 49 HA ALA 49 175.390 -0.872 -10.509 334 HB1 ALA 49 HB1 ALA 49 176.929 -2.190 -12.643 335 HB2 ALA 49 HB2 ALA 49 175.260 -1.777 -13.035 336 HB3 ALA 49 HB3 ALA 49 175.612 -2.805 -11.645 337 H GLY 50 H GLY 50 177.957 0.576 -12.392 338 HA2 GLY 50 HA2 GLY 50 180.174 0.960 -11.932 339 HA3 GLY 50 HA3 GLY 50 179.679 0.967 -10.246 340 H HIS 51 H HIS 51 180.254 -0.687 -8.956 341 HA HIS 51 HA HIS 51 181.112 -3.207 -10.103 342 HB2 HIS 51 HB2 HIS 51 183.012 -1.222 -9.420 343 HB3 HIS 51 HB3 HIS 51 183.116 -2.471 -8.185 344 HD1 HIS 51 HD1 HIS 51 182.280 -3.327 -11.738 345 HD2 HIS 51 HD2 HIS 51 185.529 -3.470 -9.151 346 HE1 HIS 51 HE1 HIS 51 184.014 -4.719 -12.913 347 HE2 HIS 51 HE2 HIS 51 185.936 -4.863 -11.291 348 H TRP 52 H TRP 52 181.781 -1.730 -6.948 349 HA TRP 52 HA TRP 52 180.959 -3.966 -5.473 350 HB2 TRP 52 HB2 TRP 52 181.182 -1.054 -4.681 351 HB3 TRP 52 HB3 TRP 52 180.887 -2.358 -3.537 352 HD1 TRP 52 HD1 TRP 52 182.908 -4.303 -3.473 353 HE1 TRP 52 HE1 TRP 52 185.450 -3.953 -3.623 354 HE3 TRP 52 HE3 TRP 52 182.963 0.349 -5.593 355 HZ2 TRP 52 HZ2 TRP 52 187.250 -1.961 -4.518 356 HZ3 TRP 52 HZ3 TRP 52 185.135 1.405 -6.065 357 HH2 TRP 52 HH2 TRP 52 187.232 0.272 -5.538 358 H ALA 53 H ALA 53 178.959 -4.651 -6.238 359 HA ALA 53 HA ALA 53 176.673 -2.919 -5.561 360 HB1 ALA 53 HB1 ALA 53 177.125 -4.756 -7.870 361 HB2 ALA 53 HB2 ALA 53 176.480 -3.115 -7.848 362 HB3 ALA 53 HB3 ALA 53 175.483 -4.461 -7.296 363 H ARG 54 H ARG 54 176.494 -3.724 -3.443 364 HA ARG 54 HA ARG 54 175.434 -6.457 -3.306 365 HB2 ARG 54 HB2 ARG 54 177.691 -6.510 -2.482 366 HB3 ARG 54 HB3 ARG 54 177.394 -5.140 -1.433 367 HG2 ARG 54 HG2 ARG 54 177.324 -6.964 0.006 368 HG3 ARG 54 HG3 ARG 54 175.622 -6.633 -0.318 369 HD2 ARG 54 HD2 ARG 54 175.948 -8.992 -0.471 370 HD3 ARG 54 HD3 ARG 54 175.701 -8.375 -2.103 371 HE ARG 54 HE ARG 54 178.387 -8.376 -1.869 372 HH11 ARG 54 HH11 ARG 54 175.962 -10.814 -1.264 373 HH12 ARG 54 HH12 ARG 54 177.012 -12.133 -1.652 374 HH21 ARG 54 HH21 ARG 54 179.770 -10.113 -2.383 375 HH22 ARG 54 HH22 ARG 54 179.174 -11.737 -2.287 376 H ASP 55 H ASP 55 173.485 -6.570 -2.422 377 HA ASP 55 HA ASP 55 172.492 -4.287 -0.847 378 HB2 ASP 55 HB2 ASP 55 171.347 -5.248 -3.036 379 HB3 ASP 55 HB3 ASP 55 170.668 -6.405 -1.898 380 H ILE 56 H ILE 56 173.199 -4.840 1.199 381 HA ILE 56 HA ILE 56 172.763 -7.488 2.256 382 HB ILE 56 HB ILE 56 173.542 -5.054 3.848 383 HG12 ILE 56 HG12 ILE 56 175.370 -6.927 2.326 384 HG13 ILE 56 HG13 ILE 56 175.024 -5.261 1.879 385 HG21 ILE 56 HG21 ILE 56 173.479 -6.545 5.501 386 HG22 ILE 56 HG22 ILE 56 174.897 -7.291 4.765 387 HG23 ILE 56 HG23 ILE 56 173.285 -7.890 4.377 388 HD11 ILE 56 HD11 ILE 56 176.870 -6.325 3.859 389 HD12 ILE 56 HD12 ILE 56 175.871 -5.004 4.461 390 HD13 ILE 56 HD13 ILE 56 176.866 -4.772 3.025 391 H THR 57 H THR 57 171.336 -8.078 3.889 392 HA THR 57 HA THR 57 169.208 -6.139 4.507 393 HB THR 57 HB THR 57 167.778 -8.370 4.595 394 HG1 THR 57 HG1 THR 57 169.746 -8.952 2.640 395 HG21 THR 57 HG21 THR 57 167.194 -6.536 3.144 396 HG22 THR 57 HG22 THR 57 167.104 -8.056 2.258 397 HG23 THR 57 HG23 THR 57 168.480 -6.978 2.023 398 H LYS 58 H LYS 58 171.647 -7.152 5.973 399 HA LYS 58 HA LYS 58 170.323 -7.551 8.510 400 HB2 LYS 58 HB2 LYS 58 171.833 -9.552 9.013 401 HB3 LYS 58 HB3 LYS 58 170.440 -9.837 7.977 402 HG2 LYS 58 HG2 LYS 58 171.749 -10.036 6.063 403 HG3 LYS 58 HG3 LYS 58 173.131 -9.235 6.811 404 HD2 LYS 58 HD2 LYS 58 173.520 -11.634 6.610 405 HD3 LYS 58 HD3 LYS 58 173.430 -11.153 8.305 406 HE2 LYS 58 HE2 LYS 58 171.541 -12.332 8.672 407 HE3 LYS 58 HE3 LYS 58 170.878 -11.961 7.081 408 HZ1 LYS 58 HZ1 LYS 58 171.773 -13.804 6.182 409 HZ2 LYS 58 HZ2 LYS 58 171.753 -14.367 7.777 410 HZ3 LYS 58 HZ3 LYS 58 173.179 -13.736 7.122 411 HA PRO 59 HA PRO 59 173.804 -4.640 8.999 412 HB2 PRO 59 HB2 PRO 59 172.623 -4.669 11.732 413 HB3 PRO 59 HB3 PRO 59 173.104 -3.294 10.730 414 HG2 PRO 59 HG2 PRO 59 170.532 -3.932 11.041 415 HG3 PRO 59 HG3 PRO 59 171.151 -3.352 9.485 416 HD2 PRO 59 HD2 PRO 59 170.397 -6.112 10.314 417 HD3 PRO 59 HD3 PRO 59 170.253 -5.329 8.729 418 H LYS 60 H LYS 60 175.539 -4.491 10.683 419 HA LYS 60 HA LYS 60 176.186 -7.171 11.721 420 HB2 LYS 60 HB2 LYS 60 177.979 -5.027 10.588 421 HB3 LYS 60 HB3 LYS 60 178.602 -6.349 11.565 422 HG2 LYS 60 HG2 LYS 60 176.902 -7.382 9.504 423 HG3 LYS 60 HG3 LYS 60 178.124 -6.322 8.804 424 HD2 LYS 60 HD2 LYS 60 179.701 -7.867 9.088 425 HD3 LYS 60 HD3 LYS 60 179.315 -8.010 10.802 426 HE2 LYS 60 HE2 LYS 60 177.427 -9.291 8.931 427 HE3 LYS 60 HE3 LYS 60 179.030 -10.018 9.032 428 HZ1 LYS 60 HZ1 LYS 60 178.653 -10.763 11.101 429 HZ2 LYS 60 HZ2 LYS 60 177.021 -10.602 10.687 430 HZ3 LYS 60 HZ3 LYS 60 177.791 -9.386 11.575 431 H GLU 61 H GLU 61 174.619 -5.432 13.169 432 HA GLU 61 HA GLU 61 174.413 -4.910 15.369 433 HB2 GLU 61 HB2 GLU 61 176.480 -6.402 15.698 434 HB3 GLU 61 HB3 GLU 61 177.392 -4.898 15.727 435 HG2 GLU 61 HG2 GLU 61 176.562 -4.268 17.748 436 HG3 GLU 61 HG3 GLU 61 175.039 -5.124 17.517 437 H GLY 62 H GLY 62 173.593 -2.970 14.680 438 HA2 GLY 62 HA2 GLY 62 173.443 -0.685 14.803 439 HA3 GLY 62 HA3 GLY 62 174.986 -0.690 15.647 440 H ARG 63 H ARG 63 175.659 -2.383 12.976 441 HA ARG 63 HA ARG 63 175.832 -0.212 11.081 442 HB2 ARG 63 HB2 ARG 63 178.125 -0.978 12.771 443 HB3 ARG 63 HB3 ARG 63 178.475 -0.846 11.053 444 HG2 ARG 63 HG2 ARG 63 178.214 1.396 11.031 445 HG3 ARG 63 HG3 ARG 63 176.951 1.375 12.262 446 HD2 ARG 63 HD2 ARG 63 178.427 1.521 13.973 447 HD3 ARG 63 HD3 ARG 63 179.653 0.566 13.139 448 HE ARG 63 HE ARG 63 179.237 3.179 12.009 449 HH11 ARG 63 HH11 ARG 63 180.976 1.334 14.408 450 HH12 ARG 63 HH12 ARG 63 182.282 2.465 14.512 451 HH21 ARG 63 HH21 ARG 63 180.954 4.668 12.145 452 HH22 ARG 63 HH22 ARG 63 182.270 4.359 13.228 453 H TRP 64 H TRP 64 176.008 -0.950 8.984 454 HA TRP 64 HA TRP 64 175.960 -3.815 8.618 455 HB2 TRP 64 HB2 TRP 64 175.914 -1.694 6.483 456 HB3 TRP 64 HB3 TRP 64 175.424 -3.360 6.337 457 HD1 TRP 64 HD1 TRP 64 174.276 -0.310 8.460 458 HE1 TRP 64 HE1 TRP 64 171.706 -0.361 8.559 459 HE3 TRP 64 HE3 TRP 64 173.433 -4.594 5.798 460 HZ2 TRP 64 HZ2 TRP 64 169.601 -1.996 7.637 461 HZ3 TRP 64 HZ3 TRP 64 171.110 -5.329 5.454 462 HH2 TRP 64 HH2 TRP 64 169.232 -4.054 6.356 463 H THR 65 H THR 65 177.382 -4.909 7.183 464 HA THR 65 HA THR 65 179.944 -3.570 6.683 465 HB THR 65 HB THR 65 179.803 -6.385 7.748 466 HG1 THR 65 HG1 THR 65 180.247 -3.997 9.210 467 HG21 THR 65 HG21 THR 65 182.164 -5.230 8.547 468 HG22 THR 65 HG22 THR 65 181.942 -4.619 6.906 469 HG23 THR 65 HG23 THR 65 181.954 -6.358 7.208 470 H PHE 66 H PHE 66 180.445 -3.717 4.615 471 HA PHE 66 HA PHE 66 179.435 -6.010 3.071 472 HB2 PHE 66 HB2 PHE 66 178.555 -4.064 2.082 473 HB3 PHE 66 HB3 PHE 66 180.049 -3.165 2.304 474 HD1 PHE 66 HD1 PHE 66 179.092 -6.376 0.652 475 HD2 PHE 66 HD2 PHE 66 181.079 -2.628 0.335 476 HE1 PHE 66 HE1 PHE 66 179.760 -6.929 -1.651 477 HE2 PHE 66 HE2 PHE 66 181.752 -3.173 -1.968 478 HZ PHE 66 HZ PHE 66 181.091 -5.326 -2.964 479 H ARG 67 H ARG 67 181.133 -7.406 3.617 480 HA ARG 67 HA ARG 67 183.850 -6.609 2.932 481 HB2 ARG 67 HB2 ARG 67 182.781 -8.269 4.889 482 HB3 ARG 67 HB3 ARG 67 183.503 -9.386 3.738 483 HG2 ARG 67 HG2 ARG 67 185.129 -7.051 4.553 484 HG3 ARG 67 HG3 ARG 67 184.861 -8.316 5.754 485 HD2 ARG 67 HD2 ARG 67 185.494 -9.623 3.344 486 HD3 ARG 67 HD3 ARG 67 186.639 -8.294 3.504 487 HE ARG 67 HE ARG 67 187.598 -9.366 5.291 488 HH11 ARG 67 HH11 ARG 67 184.547 -10.890 4.542 489 HH12 ARG 67 HH12 ARG 67 184.811 -12.226 5.610 490 HH21 ARG 67 HH21 ARG 67 187.944 -11.123 6.697 491 HH22 ARG 67 HH22 ARG 67 186.740 -12.360 6.833 492 H ASP 68 H ASP 68 184.926 -7.255 1.171 493 HA ASP 68 HA ASP 68 183.840 -9.436 -0.457 494 HB2 ASP 68 HB2 ASP 68 183.040 -7.198 -1.324 495 HB3 ASP 68 HB3 ASP 68 184.724 -6.809 -1.660 496 H ARG 69 H ARG 69 185.473 -10.853 -0.234 497 HA ARG 69 HA ARG 69 188.236 -9.956 -0.329 498 HB2 ARG 69 HB2 ARG 69 188.787 -12.287 0.210 499 HB3 ARG 69 HB3 ARG 69 187.618 -11.617 1.339 500 HG2 ARG 69 HG2 ARG 69 185.962 -13.009 0.670 501 HG3 ARG 69 HG3 ARG 69 186.538 -13.074 -0.996 502 HD2 ARG 69 HD2 ARG 69 188.503 -14.420 -0.088 503 HD3 ARG 69 HD3 ARG 69 187.564 -14.574 1.397 504 HE ARG 69 HE ARG 69 187.106 -15.931 -1.095 505 HH11 ARG 69 HH11 ARG 69 185.645 -14.843 1.882 506 HH12 ARG 69 HH12 ARG 69 184.373 -16.016 1.832 507 HH21 ARG 69 HH21 ARG 69 185.434 -17.475 -1.162 508 HH22 ARG 69 HH22 ARG 69 184.251 -17.510 0.104 509 H ASN 70 H ASN 70 186.404 -9.959 -2.746 510 HA ASN 70 HA ASN 70 188.243 -11.419 -4.509 511 HB2 ASN 70 HB2 ASN 70 185.249 -11.553 -4.442 512 HB3 ASN 70 HB3 ASN 70 186.092 -11.749 -5.976 513 HD21 ASN 70 HD21 ASN 70 188.239 -13.187 -5.435 514 HD22 ASN 70 HD22 ASN 70 187.827 -14.720 -4.756 515 H ALA 71 H ALA 71 188.453 -8.721 -3.885 516 HA ALA 71 HA ALA 71 187.542 -7.427 -6.375 517 HB1 ALA 71 HB1 ALA 71 188.025 -5.297 -4.874 518 HB2 ALA 71 HB2 ALA 71 187.677 -6.442 -3.579 519 HB3 ALA 71 HB3 ALA 71 186.475 -6.137 -4.833 520 H LYS 72 H LYS 72 189.266 -7.656 -7.701 521 HA LYS 72 HA LYS 72 191.970 -7.426 -6.803 522 HB2 LYS 72 HB2 LYS 72 191.164 -8.783 -8.786 523 HB3 LYS 72 HB3 LYS 72 190.992 -7.266 -9.654 524 HG2 LYS 72 HG2 LYS 72 193.246 -6.946 -9.832 525 HG3 LYS 72 HG3 LYS 72 193.604 -7.867 -8.371 526 HD2 LYS 72 HD2 LYS 72 192.960 -9.937 -9.590 527 HD3 LYS 72 HD3 LYS 72 192.775 -8.969 -11.053 528 HE2 LYS 72 HE2 LYS 72 195.332 -8.607 -9.664 529 HE3 LYS 72 HE3 LYS 72 195.066 -10.233 -10.293 530 HZ1 LYS 72 HZ1 LYS 72 196.070 -8.243 -11.741 531 HZ2 LYS 72 HZ2 LYS 72 194.430 -8.052 -12.104 532 HZ3 LYS 72 HZ3 LYS 72 195.197 -9.527 -12.412 533 H LEU 73 H LEU 73 192.482 -5.473 -5.963 534 HA LEU 73 HA LEU 73 192.139 -3.133 -7.722 535 HB2 LEU 73 HB2 LEU 73 192.363 -2.900 -4.743 536 HB3 LEU 73 HB3 LEU 73 191.716 -1.744 -5.891 537 HG LEU 73 HG LEU 73 190.318 -4.359 -5.487 538 HD11 LEU 73 HD11 LEU 73 188.900 -2.988 -3.808 539 HD12 LEU 73 HD12 LEU 73 190.368 -2.029 -3.619 540 HD13 LEU 73 HD13 LEU 73 190.392 -3.755 -3.259 541 HD21 LEU 73 HD21 LEU 73 188.423 -3.186 -6.259 542 HD22 LEU 73 HD22 LEU 73 189.751 -2.693 -7.310 543 HD23 LEU 73 HD23 LEU 73 189.200 -1.620 -6.023 544 H LYS 74 H LYS 74 193.770 -1.396 -7.325 545 HA LYS 74 HA LYS 74 196.327 -2.411 -6.308 546 HB2 LYS 74 HB2 LYS 74 195.885 -1.211 -9.046 547 HB3 LYS 74 HB3 LYS 74 197.470 -1.405 -8.313 548 HG2 LYS 74 HG2 LYS 74 197.508 -3.642 -8.649 549 HG3 LYS 74 HG3 LYS 74 195.763 -3.815 -8.442 550 HD2 LYS 74 HD2 LYS 74 195.332 -3.439 -10.637 551 HD3 LYS 74 HD3 LYS 74 196.665 -2.296 -10.814 552 HE2 LYS 74 HE2 LYS 74 197.073 -4.314 -12.115 553 HE3 LYS 74 HE3 LYS 74 198.256 -4.151 -10.818 554 HZ1 LYS 74 HZ1 LYS 74 196.082 -6.094 -11.118 555 HZ2 LYS 74 HZ2 LYS 74 196.538 -5.639 -9.555 556 HZ3 LYS 74 HZ3 LYS 74 197.676 -6.331 -10.598 557 H LEU 75 H LEU 75 197.692 -0.832 -5.465 558 HA LEU 75 HA LEU 75 196.428 1.484 -4.512 559 HB2 LEU 75 HB2 LEU 75 198.171 1.623 -3.138 560 HB3 LEU 75 HB3 LEU 75 198.666 0.099 -3.825 561 HG LEU 75 HG LEU 75 200.205 1.266 -5.342 562 HD11 LEU 75 HD11 LEU 75 199.723 3.399 -5.840 563 HD12 LEU 75 HD12 LEU 75 200.517 3.792 -4.316 564 HD13 LEU 75 HD13 LEU 75 198.766 3.622 -4.378 565 HD21 LEU 75 HD21 LEU 75 200.345 1.711 -2.387 566 HD22 LEU 75 HD22 LEU 75 201.647 2.266 -3.446 567 HD23 LEU 75 HD23 LEU 75 201.228 0.553 -3.387 568 H GLY 76 H GLY 76 196.122 3.398 -5.310 569 HA2 GLY 76 HA2 GLY 76 197.227 5.294 -6.532 570 HA3 GLY 76 HA3 GLY 76 197.534 4.111 -7.799 571 H ASP 77 H ASP 77 194.969 2.789 -7.412 572 HA ASP 77 HA ASP 77 193.430 4.351 -9.192 573 HB2 ASP 77 HB2 ASP 77 193.545 1.825 -9.127 574 HB3 ASP 77 HB3 ASP 77 192.518 1.891 -7.699 575 H LYS 78 H LYS 78 191.368 5.249 -8.865 576 HA LYS 78 HA LYS 78 190.881 6.094 -6.093 577 HB2 LYS 78 HB2 LYS 78 191.167 7.669 -8.209 578 HB3 LYS 78 HB3 LYS 78 189.462 7.311 -8.424 579 HG2 LYS 78 HG2 LYS 78 189.747 9.375 -7.202 580 HG3 LYS 78 HG3 LYS 78 189.009 8.152 -6.166 581 HD2 LYS 78 HD2 LYS 78 190.608 8.576 -4.673 582 HD3 LYS 78 HD3 LYS 78 191.757 7.847 -5.795 583 HE2 LYS 78 HE2 LYS 78 192.773 9.850 -5.686 584 HE3 LYS 78 HE3 LYS 78 191.532 10.337 -6.838 585 HZ1 LYS 78 HZ1 LYS 78 190.912 10.516 -3.982 586 HZ2 LYS 78 HZ2 LYS 78 190.391 11.493 -5.261 587 HZ3 LYS 78 HZ3 LYS 78 191.954 11.675 -4.641 588 H ILE 79 H ILE 79 188.584 6.387 -5.470 589 HA ILE 79 HA ILE 79 186.917 4.233 -6.582 590 HB ILE 79 HB ILE 79 187.199 5.097 -3.717 591 HG12 ILE 79 HG12 ILE 79 187.348 2.329 -3.947 592 HG13 ILE 79 HG13 ILE 79 188.198 2.916 -5.371 593 HG21 ILE 79 HG21 ILE 79 185.108 3.358 -5.001 594 HG22 ILE 79 HG22 ILE 79 184.868 4.793 -4.005 595 HG23 ILE 79 HG23 ILE 79 185.476 3.305 -3.277 596 HD11 ILE 79 HD11 ILE 79 188.798 3.869 -2.596 597 HD12 ILE 79 HD12 ILE 79 189.748 4.117 -4.056 598 HD13 ILE 79 HD13 ILE 79 189.610 2.504 -3.353 599 H TYR 80 H TYR 80 184.715 4.512 -6.725 600 HA TYR 80 HA TYR 80 183.550 7.101 -6.067 601 HB2 TYR 80 HB2 TYR 80 183.724 5.963 -8.857 602 HB3 TYR 80 HB3 TYR 80 182.464 7.106 -8.400 603 HD1 TYR 80 HD1 TYR 80 183.094 9.413 -7.696 604 HD2 TYR 80 HD2 TYR 80 185.945 6.687 -9.289 605 HE1 TYR 80 HE1 TYR 80 184.626 11.284 -8.140 606 HE2 TYR 80 HE2 TYR 80 187.485 8.550 -9.737 607 HH TYR 80 HH TYR 80 186.508 11.837 -9.520 608 H PHE 81 H PHE 81 181.573 6.741 -5.125 609 HA PHE 81 HA PHE 81 179.942 4.533 -6.075 610 HB2 PHE 81 HB2 PHE 81 179.774 3.635 -3.665 611 HB3 PHE 81 HB3 PHE 81 181.177 3.202 -4.623 612 HD1 PHE 81 HD1 PHE 81 180.147 6.019 -2.403 613 HD2 PHE 81 HD2 PHE 81 183.165 3.215 -3.472 614 HE1 PHE 81 HE1 PHE 81 181.599 6.915 -0.632 615 HE2 PHE 81 HE2 PHE 81 184.622 4.108 -1.700 616 HZ PHE 81 HZ PHE 81 183.840 5.957 -0.278 617 H TRP 82 H TRP 82 178.129 4.147 -4.403 618 HA TRP 82 HA TRP 82 177.160 6.465 -3.020 619 HB2 TRP 82 HB2 TRP 82 175.101 6.752 -4.268 620 HB3 TRP 82 HB3 TRP 82 176.468 6.974 -5.348 621 HD1 TRP 82 HD1 TRP 82 176.929 4.976 -7.143 622 HE1 TRP 82 HE1 TRP 82 175.291 3.323 -8.237 623 HE3 TRP 82 HE3 TRP 82 173.028 5.416 -3.870 624 HZ2 TRP 82 HZ2 TRP 82 172.688 2.330 -7.774 625 HZ3 TRP 82 HZ3 TRP 82 170.998 4.082 -4.269 626 HH2 TRP 82 HH2 TRP 82 170.834 2.572 -6.180 627 H THR 83 H THR 83 175.861 5.844 -1.343 628 HA THR 83 HA THR 83 175.352 2.946 -1.182 629 HB THR 83 HB THR 83 174.748 3.900 1.302 630 HG1 THR 83 HG1 THR 83 176.905 5.469 0.362 631 HG21 THR 83 HG21 THR 83 177.625 3.478 0.711 632 HG22 THR 83 HG22 THR 83 176.498 2.147 0.451 633 HG23 THR 83 HG23 THR 83 176.643 2.880 2.048 634 H TYR 84 H TYR 84 173.314 2.209 -0.157 635 HA TYR 84 HA TYR 84 171.078 4.068 -0.414 636 HB2 TYR 84 HB2 TYR 84 171.310 3.032 -2.618 637 HB3 TYR 84 HB3 TYR 84 171.276 1.436 -1.879 638 HD1 TYR 84 HD1 TYR 84 169.123 4.394 -1.180 639 HD2 TYR 84 HD2 TYR 84 169.345 0.442 -2.741 640 HE1 TYR 84 HE1 TYR 84 166.676 4.357 -1.417 641 HE2 TYR 84 HE2 TYR 84 166.898 0.394 -2.985 642 HH TYR 84 HH TYR 84 164.955 1.444 -2.329 643 H VAL 85 H VAL 85 170.318 3.941 1.631 644 HA VAL 85 HA VAL 85 170.045 1.283 2.855 645 HB VAL 85 HB VAL 85 170.824 2.257 4.703 646 HG11 VAL 85 HG11 VAL 85 171.919 3.940 3.373 647 HG12 VAL 85 HG12 VAL 85 171.313 4.666 4.862 648 HG13 VAL 85 HG13 VAL 85 170.451 4.917 3.346 649 HG21 VAL 85 HG21 VAL 85 168.332 3.953 4.594 650 HG22 VAL 85 HG22 VAL 85 169.411 3.843 5.983 651 HG23 VAL 85 HG23 VAL 85 168.539 2.415 5.432 652 H ILE 86 H ILE 86 168.019 0.981 4.206 653 HA ILE 86 HA ILE 86 165.697 2.449 3.191 654 HB ILE 86 HB ILE 86 165.770 -0.567 3.199 655 HG12 ILE 86 HG12 ILE 86 167.182 0.489 1.433 656 HG13 ILE 86 HG13 ILE 86 165.854 -0.487 0.812 657 HG21 ILE 86 HG21 ILE 86 163.690 1.321 2.107 658 HG22 ILE 86 HG22 ILE 86 163.577 0.495 3.660 659 HG23 ILE 86 HG23 ILE 86 163.601 -0.438 2.164 660 HD11 ILE 86 HD11 ILE 86 165.188 1.217 -0.399 661 HD12 ILE 86 HD12 ILE 86 166.476 2.218 0.269 662 HD13 ILE 86 HD13 ILE 86 164.906 2.150 1.069 663 H LYS 87 H LYS 87 164.957 3.253 5.047 664 HA LYS 87 HA LYS 87 164.904 1.574 7.438 665 HB2 LYS 87 HB2 LYS 87 165.778 3.979 7.415 666 HB3 LYS 87 HB3 LYS 87 164.097 4.468 7.273 667 HG2 LYS 87 HG2 LYS 87 163.596 3.887 9.412 668 HG3 LYS 87 HG3 LYS 87 164.796 2.594 9.458 669 HD2 LYS 87 HD2 LYS 87 165.693 4.206 10.878 670 HD3 LYS 87 HD3 LYS 87 166.530 4.500 9.353 671 HE2 LYS 87 HE2 LYS 87 165.612 6.531 9.108 672 HE3 LYS 87 HE3 LYS 87 164.020 5.974 9.624 673 HZ1 LYS 87 HZ1 LYS 87 166.098 6.216 11.665 674 HZ2 LYS 87 HZ2 LYS 87 164.434 6.492 11.781 675 HZ3 LYS 87 HZ3 LYS 87 165.434 7.648 11.056 676 H ASP 88 H ASP 88 163.204 0.275 6.272 677 HA ASP 88 HA ASP 88 161.047 -0.409 6.047 678 HB2 ASP 88 HB2 ASP 88 161.165 0.103 8.529 679 HB3 ASP 88 HB3 ASP 88 160.383 1.639 8.163 680 H GLY 89 H GLY 89 161.770 1.392 4.123 681 HA2 GLY 89 HA2 GLY 89 160.395 2.291 2.404 682 HA3 GLY 89 HA3 GLY 89 159.201 2.716 3.620 683 H LEU 90 H LEU 90 162.589 3.428 4.044 684 HA LEU 90 HA LEU 90 162.193 6.208 3.236 685 HB2 LEU 90 HB2 LEU 90 163.452 5.651 5.895 686 HB3 LEU 90 HB3 LEU 90 162.778 7.152 5.285 687 HG LEU 90 HG LEU 90 161.101 4.736 5.914 688 HD11 LEU 90 HD11 LEU 90 161.587 7.142 7.668 689 HD12 LEU 90 HD12 LEU 90 162.292 5.546 7.930 690 HD13 LEU 90 HD13 LEU 90 160.544 5.763 8.024 691 HD21 LEU 90 HD21 LEU 90 160.471 6.855 4.395 692 HD22 LEU 90 HD22 LEU 90 160.037 7.488 5.984 693 HD23 LEU 90 HD23 LEU 90 159.301 5.997 5.397 694 H GLY 91 H GLY 91 163.570 5.327 1.557 695 HA2 GLY 91 HA2 GLY 91 166.135 4.362 2.028 696 HA3 GLY 91 HA3 GLY 91 165.578 5.032 0.518 697 H TYR 92 H TYR 92 168.130 5.242 1.581 698 HA TYR 92 HA TYR 92 168.515 8.116 1.484 699 HB2 TYR 92 HB2 TYR 92 169.448 6.452 3.834 700 HB3 TYR 92 HB3 TYR 92 170.035 8.068 3.465 701 HD1 TYR 92 HD1 TYR 92 168.141 9.896 3.210 702 HD2 TYR 92 HD2 TYR 92 167.694 6.228 5.319 703 HE1 TYR 92 HE1 TYR 92 166.277 10.865 4.487 704 HE2 TYR 92 HE2 TYR 92 165.828 7.187 6.602 705 HH TYR 92 HH TYR 92 164.066 9.267 6.015 706 H ARG 93 H ARG 93 170.387 8.549 0.331 707 HA ARG 93 HA ARG 93 172.251 6.318 0.021 708 HB2 ARG 93 HB2 ARG 93 172.487 6.775 -2.347 709 HB3 ARG 93 HB3 ARG 93 170.808 6.400 -1.947 710 HG2 ARG 93 HG2 ARG 93 171.142 9.210 -1.752 711 HG3 ARG 93 HG3 ARG 93 171.845 8.676 -3.281 712 HD2 ARG 93 HD2 ARG 93 169.714 8.869 -4.003 713 HD3 ARG 93 HD3 ARG 93 169.565 7.257 -3.306 714 HE ARG 93 HE ARG 93 168.225 8.121 -1.660 715 HH11 ARG 93 HH11 ARG 93 169.812 10.742 -3.332 716 HH12 ARG 93 HH12 ARG 93 168.864 11.971 -2.566 717 HH21 ARG 93 HH21 ARG 93 166.977 9.737 -0.650 718 HH22 ARG 93 HH22 ARG 93 167.255 11.401 -1.042 719 H GLN 94 H GLN 94 174.340 6.750 -0.141 720 HA GLN 94 HA GLN 94 175.126 9.558 0.249 721 HB2 GLN 94 HB2 GLN 94 175.784 7.543 1.871 722 HB3 GLN 94 HB3 GLN 94 177.061 7.332 0.679 723 HG2 GLN 94 HG2 GLN 94 177.342 9.929 1.051 724 HG3 GLN 94 HG3 GLN 94 176.609 9.535 2.604 725 HE21 GLN 94 HE21 GLN 94 179.435 10.174 1.373 726 HE22 GLN 94 HE22 GLN 94 180.461 9.091 2.245 727 H ASP 95 H ASP 95 174.734 9.747 -2.062 728 HA ASP 95 HA ASP 95 176.500 8.375 -3.870 729 HB2 ASP 95 HB2 ASP 95 175.458 9.846 -5.589 730 HB3 ASP 95 HB3 ASP 95 174.295 8.930 -4.642 731 H ASN 96 H ASN 96 177.602 9.807 -5.585 732 HA ASN 96 HA ASN 96 179.343 11.171 -6.104 733 HB2 ASN 96 HB2 ASN 96 177.734 12.955 -5.632 734 HB3 ASN 96 HB3 ASN 96 178.148 12.891 -3.925 735 HD21 ASN 96 HD21 ASN 96 178.983 14.875 -3.642 736 HD22 ASN 96 HD22 ASN 96 180.371 15.483 -4.472 737 H GLY 97 H GLY 97 179.422 9.180 -3.767 738 HA2 GLY 97 HA2 GLY 97 181.392 10.258 -1.976 739 HA3 GLY 97 HA3 GLY 97 180.864 8.585 -2.057 740 H GLU 98 H GLU 98 183.505 9.248 -1.671 741 HA GLU 98 HA GLU 98 184.685 7.974 -3.988 742 HB2 GLU 98 HB2 GLU 98 184.770 10.464 -4.409 743 HB3 GLU 98 HB3 GLU 98 185.828 10.593 -3.011 744 HG2 GLU 98 HG2 GLU 98 187.214 8.773 -4.301 745 HG3 GLU 98 HG3 GLU 98 186.359 9.432 -5.695 746 H TRP 99 H TRP 99 186.708 7.023 -3.573 747 HA TRP 99 HA TRP 99 187.833 7.237 -0.907 748 HB2 TRP 99 HB2 TRP 99 186.116 5.542 -0.604 749 HB3 TRP 99 HB3 TRP 99 186.715 4.644 -1.989 750 HD1 TRP 99 HD1 TRP 99 188.579 5.997 1.148 751 HE1 TRP 99 HE1 TRP 99 189.914 4.037 2.150 752 HE3 TRP 99 HE3 TRP 99 187.100 2.295 -2.044 753 HZ2 TRP 99 HZ2 TRP 99 190.282 1.293 1.648 754 HZ3 TRP 99 HZ3 TRP 99 187.985 0.026 -1.713 755 HH2 TRP 99 HH2 TRP 99 189.540 -0.466 0.096 756 H THR 100 H THR 100 189.911 5.951 -0.756 757 HA THR 100 HA THR 100 191.277 6.067 -3.356 758 HB THR 100 HB THR 100 192.017 7.519 -1.413 759 HG1 THR 100 HG1 THR 100 194.154 7.244 -1.941 760 HG21 THR 100 HG21 THR 100 192.128 5.020 -0.052 761 HG22 THR 100 HG22 THR 100 192.490 6.636 0.559 762 HG23 THR 100 HG23 THR 100 193.764 5.670 -0.181 763 H VAL 101 H VAL 101 192.975 4.564 -3.816 764 HA VAL 101 HA VAL 101 192.612 1.922 -2.549 765 HB VAL 101 HB VAL 101 193.460 2.384 -5.411 766 HG11 VAL 101 HG11 VAL 101 192.732 -0.062 -3.816 767 HG12 VAL 101 HG12 VAL 101 194.259 0.301 -4.621 768 HG13 VAL 101 HG13 VAL 101 192.820 -0.050 -5.578 769 HG21 VAL 101 HG21 VAL 101 191.256 1.822 -6.123 770 HG22 VAL 101 HG22 VAL 101 191.112 3.130 -4.951 771 HG23 VAL 101 HG23 VAL 101 190.746 1.472 -4.474 772 H THR 102 H THR 102 194.748 4.458 -3.156 773 HA THR 102 HA THR 102 197.176 3.192 -3.633 774 HB THR 102 HB THR 102 198.224 5.236 -2.988 775 HG1 THR 102 HG1 THR 102 197.020 6.827 -1.838 776 HG21 THR 102 HG21 THR 102 197.386 6.223 -4.774 777 HG22 THR 102 HG22 THR 102 196.044 6.803 -3.789 778 HG23 THR 102 HG23 THR 102 195.907 5.271 -4.652 779 H GLU 103 H GLU 103 195.283 3.011 -0.866 780 HA GLU 103 HA GLU 103 197.568 1.948 0.644 781 HB2 GLU 103 HB2 GLU 103 196.813 4.255 1.422 782 HB3 GLU 103 HB3 GLU 103 195.326 3.481 1.953 783 HG2 GLU 103 HG2 GLU 103 196.282 2.817 3.833 784 HG3 GLU 103 HG3 GLU 103 197.573 2.015 2.943 785 H PHE 104 H PHE 104 197.129 0.205 2.027 786 HA PHE 104 HA PHE 104 194.413 -0.898 1.903 787 HB2 PHE 104 HB2 PHE 104 196.965 -2.429 1.359 788 HB3 PHE 104 HB3 PHE 104 195.370 -3.157 1.524 789 HD1 PHE 104 HD1 PHE 104 197.285 -0.703 -0.506 790 HD2 PHE 104 HD2 PHE 104 194.007 -3.412 -0.339 791 HE1 PHE 104 HE1 PHE 104 196.911 -0.395 -2.918 792 HE2 PHE 104 HE2 PHE 104 193.629 -3.109 -2.750 793 HZ PHE 104 HZ PHE 104 195.082 -1.599 -4.043 794 H VAL 105 H VAL 105 193.850 -2.249 3.667 795 HA VAL 105 HA VAL 105 195.559 -1.818 6.004 796 HB VAL 105 HB VAL 105 193.659 -2.279 7.401 797 HG11 VAL 105 HG11 VAL 105 193.928 -0.041 6.142 798 HG12 VAL 105 HG12 VAL 105 192.408 -0.371 6.974 799 HG13 VAL 105 HG13 VAL 105 192.517 -0.566 5.224 800 HG21 VAL 105 HG21 VAL 105 192.295 -3.896 6.593 801 HG22 VAL 105 HG22 VAL 105 192.550 -3.422 4.914 802 HG23 VAL 105 HG23 VAL 105 191.407 -2.529 5.917 803 H ASN 106 H ASN 106 195.917 -3.527 7.495 804 HA ASN 106 HA ASN 106 196.516 -6.029 6.186 805 HB2 ASN 106 HB2 ASN 106 197.312 -4.625 8.646 806 HB3 ASN 106 HB3 ASN 106 197.236 -6.377 8.786 807 HD21 ASN 106 HD21 ASN 106 199.331 -4.053 8.390 808 HD22 ASN 106 HD22 ASN 106 200.469 -4.783 7.316 809 H GLU 107 H GLU 107 195.868 -8.081 6.904 810 HA GLU 107 HA GLU 107 193.159 -8.374 7.505 811 HB2 GLU 107 HB2 GLU 107 193.815 -10.736 8.167 812 HB3 GLU 107 HB3 GLU 107 194.291 -10.240 6.548 813 HG2 GLU 107 HG2 GLU 107 196.302 -9.729 8.613 814 HG3 GLU 107 HG3 GLU 107 195.921 -11.432 8.361 815 H ASP 108 H ASP 108 195.823 -7.540 9.443 816 HA ASP 108 HA ASP 108 194.861 -8.469 11.966 817 HB2 ASP 108 HB2 ASP 108 197.231 -7.356 11.036 818 HB3 ASP 108 HB3 ASP 108 196.572 -6.103 12.083 819 H GLY 109 H GLY 109 194.383 -5.605 10.000 820 HA2 GLY 109 HA2 GLY 109 192.210 -4.500 10.362 821 HA3 GLY 109 HA3 GLY 109 192.537 -4.603 12.083 822 H THR 110 H THR 110 195.167 -3.776 9.973 823 HA THR 110 HA THR 110 194.708 -0.929 10.323 824 HB THR 110 HB THR 110 196.604 -0.414 11.548 825 HG1 THR 110 HG1 THR 110 197.516 -3.005 10.882 826 HG21 THR 110 HG21 THR 110 194.896 -1.641 12.926 827 HG22 THR 110 HG22 THR 110 196.535 -1.607 13.578 828 HG23 THR 110 HG23 THR 110 195.931 -3.063 12.789 829 HA PRO 111 HA PRO 111 196.512 -0.161 6.476 830 HB2 PRO 111 HB2 PRO 111 198.572 1.484 7.886 831 HB3 PRO 111 HB3 PRO 111 197.562 1.899 6.496 832 HG2 PRO 111 HG2 PRO 111 196.970 2.828 8.920 833 HG3 PRO 111 HG3 PRO 111 195.689 2.304 7.811 834 HD2 PRO 111 HD2 PRO 111 196.774 0.940 10.226 835 HD3 PRO 111 HD3 PRO 111 195.133 0.925 9.575 836 H ALA 112 H ALA 112 197.696 -1.460 5.296 837 HA ALA 112 HA ALA 112 200.074 -2.702 6.460 838 HB1 ALA 112 HB1 ALA 112 199.587 -4.575 5.311 839 HB2 ALA 112 HB2 ALA 112 199.091 -3.686 3.872 840 HB3 ALA 112 HB3 ALA 112 197.973 -3.867 5.224 841 H ASP 113 H ASP 113 200.673 -0.216 5.865 842 HA ASP 113 HA ASP 113 201.372 0.465 3.261 843 HB2 ASP 113 HB2 ASP 113 201.540 1.717 5.657 844 HB3 ASP 113 HB3 ASP 113 203.239 1.349 5.379 845 H THR 114 H THR 114 204.009 1.018 3.066 846 HA THR 114 HA THR 114 206.015 0.150 2.438 847 HB THR 114 HB THR 114 205.769 -2.242 4.177 848 HG1 THR 114 HG1 THR 114 205.774 0.404 5.190 849 HG21 THR 114 HG21 THR 114 207.856 -0.534 3.189 850 HG22 THR 114 HG22 THR 114 207.963 -2.118 3.957 851 HG23 THR 114 HG23 THR 114 207.925 -0.659 4.947 852 H SER 115 H SER 115 203.605 -0.625 1.048 853 HA SER 115 HA SER 115 204.322 -3.325 0.121 854 HB2 SER 115 HB2 SER 115 201.947 -3.063 -0.995 855 HB3 SER 115 HB3 SER 115 202.090 -3.506 0.706 856 HG SER 115 HG SER 115 201.039 -1.260 -0.427 857 H LEU 116 H LEU 116 203.360 -3.500 -2.319 858 HA LEU 116 HA LEU 116 203.748 -3.026 -4.507 859 HB2 LEU 116 HB2 LEU 116 202.838 -0.634 -3.340 860 HB3 LEU 116 HB3 LEU 116 204.193 -0.182 -4.356 861 HG LEU 116 HG LEU 116 202.114 0.011 -5.588 862 HD11 LEU 116 HD11 LEU 116 202.818 -1.002 -7.541 863 HD12 LEU 116 HD12 LEU 116 203.413 -2.437 -6.706 864 HD13 LEU 116 HD13 LEU 116 204.310 -0.922 -6.605 865 HD21 LEU 116 HD21 LEU 116 200.623 -1.785 -5.961 866 HD22 LEU 116 HD22 LEU 116 200.944 -1.771 -4.227 867 HD23 LEU 116 HD23 LEU 116 201.742 -2.956 -5.263 868 H GLU 117 H GLU 117 205.738 -4.033 -4.660 869 HA GLU 117 HA GLU 117 207.973 -2.269 -5.135 870 HB2 GLU 117 HB2 GLU 117 207.809 -4.002 -2.740 871 HB3 GLU 117 HB3 GLU 117 209.330 -4.046 -3.620 872 HG2 GLU 117 HG2 GLU 117 209.940 -2.033 -2.890 873 HG3 GLU 117 HG3 GLU 117 208.345 -1.344 -3.181 874 HA PRO 118 HA PRO 118 207.639 -5.662 -8.243 875 HB2 PRO 118 HB2 PRO 118 209.547 -3.748 -9.503 876 HB3 PRO 118 HB3 PRO 118 208.168 -4.594 -10.213 877 HG2 PRO 118 HG2 PRO 118 208.001 -2.011 -9.603 878 HG3 PRO 118 HG3 PRO 118 206.628 -3.099 -9.335 879 HD2 PRO 118 HD2 PRO 118 208.539 -1.935 -7.363 880 HD3 PRO 118 HD3 PRO 118 206.809 -2.286 -7.187 Start of MODEL 19 1 H GLN 6 H GLN 6 162.635 11.521 10.095 2 HA GLN 6 HA GLN 6 163.218 10.702 7.342 3 HB2 GLN 6 HB2 GLN 6 161.764 12.743 8.222 4 HB3 GLN 6 HB3 GLN 6 163.350 13.474 8.442 5 HG2 GLN 6 HG2 GLN 6 163.841 13.023 6.063 6 HG3 GLN 6 HG3 GLN 6 162.197 12.415 5.873 7 HE21 GLN 6 HE21 GLN 6 162.450 14.230 4.202 8 HE22 GLN 6 HE22 GLN 6 161.900 15.789 4.701 9 H TYR 7 H TYR 7 165.089 9.480 8.325 10 HA TYR 7 HA TYR 7 167.262 11.144 9.302 11 HB2 TYR 7 HB2 TYR 7 166.830 8.949 10.321 12 HB3 TYR 7 HB3 TYR 7 167.179 8.161 8.794 13 HD1 TYR 7 HD1 TYR 7 168.775 10.610 11.130 14 HD2 TYR 7 HD2 TYR 7 169.280 7.237 8.586 15 HE1 TYR 7 HE1 TYR 7 171.144 10.480 11.782 16 HE2 TYR 7 HE2 TYR 7 171.650 7.100 9.229 17 HH TYR 7 HH TYR 7 173.416 8.809 10.128 18 H VAL 8 H VAL 8 169.477 10.557 8.367 19 HA VAL 8 HA VAL 8 169.295 10.799 5.437 20 HB VAL 8 HB VAL 8 171.632 11.642 7.146 21 HG11 VAL 8 HG11 VAL 8 172.416 11.470 4.981 22 HG12 VAL 8 HG12 VAL 8 171.900 13.156 5.045 23 HG13 VAL 8 HG13 VAL 8 170.874 11.948 4.273 24 HG21 VAL 8 HG21 VAL 8 170.191 13.190 7.946 25 HG22 VAL 8 HG22 VAL 8 169.073 13.005 6.595 26 HG23 VAL 8 HG23 VAL 8 170.530 13.979 6.406 27 H VAL 9 H VAL 9 171.066 9.870 4.173 28 HA VAL 9 HA VAL 9 171.515 7.164 4.841 29 HB VAL 9 HB VAL 9 171.375 7.885 2.523 30 HG11 VAL 9 HG11 VAL 9 173.218 9.874 3.367 31 HG12 VAL 9 HG12 VAL 9 172.400 9.718 1.814 32 HG13 VAL 9 HG13 VAL 9 173.965 8.947 2.067 33 HG21 VAL 9 HG21 VAL 9 172.688 5.852 3.164 34 HG22 VAL 9 HG22 VAL 9 174.149 6.831 3.048 35 HG23 VAL 9 HG23 VAL 9 173.149 6.567 1.621 36 HA PRO 10 HA PRO 10 175.070 7.569 7.509 37 HB2 PRO 10 HB2 PRO 10 175.655 4.805 6.630 38 HB3 PRO 10 HB3 PRO 10 175.408 5.437 8.259 39 HG2 PRO 10 HG2 PRO 10 173.554 3.932 7.064 40 HG3 PRO 10 HG3 PRO 10 173.107 5.292 8.111 41 HD2 PRO 10 HD2 PRO 10 173.122 5.120 5.126 42 HD3 PRO 10 HD3 PRO 10 171.958 5.913 6.206 43 H SER 11 H SER 11 177.484 6.666 7.331 44 HA SER 11 HA SER 11 178.452 7.510 4.694 45 HB2 SER 11 HB2 SER 11 179.043 8.837 6.808 46 HB3 SER 11 HB3 SER 11 180.083 7.475 7.221 47 HG SER 11 HG SER 11 181.115 9.220 6.027 48 H ALA 12 H ALA 12 179.460 6.090 3.441 49 HA ALA 12 HA ALA 12 179.967 3.423 4.424 50 HB1 ALA 12 HB1 ALA 12 179.323 3.011 2.336 51 HB2 ALA 12 HB2 ALA 12 180.929 3.539 1.833 52 HB3 ALA 12 HB3 ALA 12 179.589 4.685 1.846 53 H LYS 13 H LYS 13 181.737 3.147 5.621 54 HA LYS 13 HA LYS 13 184.231 4.480 4.860 55 HB2 LYS 13 HB2 LYS 13 183.104 3.417 7.351 56 HB3 LYS 13 HB3 LYS 13 184.793 2.990 7.110 57 HG2 LYS 13 HG2 LYS 13 185.495 5.193 7.165 58 HG3 LYS 13 HG3 LYS 13 183.895 5.818 6.761 59 HD2 LYS 13 HD2 LYS 13 183.293 4.640 9.073 60 HD3 LYS 13 HD3 LYS 13 185.001 4.961 9.377 61 HE2 LYS 13 HE2 LYS 13 184.416 7.349 8.507 62 HE3 LYS 13 HE3 LYS 13 182.761 6.883 8.900 63 HZ1 LYS 13 HZ1 LYS 13 184.415 8.003 10.644 64 HZ2 LYS 13 HZ2 LYS 13 184.755 6.376 10.954 65 HZ3 LYS 13 HZ3 LYS 13 183.171 6.951 11.100 66 H LEU 14 H LEU 14 185.378 3.418 3.367 67 HA LEU 14 HA LEU 14 185.374 0.482 3.416 68 HB2 LEU 14 HB2 LEU 14 186.249 2.333 1.205 69 HB3 LEU 14 HB3 LEU 14 186.114 0.589 1.105 70 HG LEU 14 HG LEU 14 183.596 1.086 1.752 71 HD11 LEU 14 HD11 LEU 14 183.866 3.471 2.065 72 HD12 LEU 14 HD12 LEU 14 182.820 3.159 0.680 73 HD13 LEU 14 HD13 LEU 14 184.498 3.638 0.426 74 HD21 LEU 14 HD21 LEU 14 184.425 1.702 -1.057 75 HD22 LEU 14 HD22 LEU 14 183.044 0.769 -0.482 76 HD23 LEU 14 HD23 LEU 14 184.671 0.095 -0.373 77 H GLU 15 H GLU 15 187.316 -0.667 2.974 78 HA GLU 15 HA GLU 15 189.835 0.736 3.455 79 HB2 GLU 15 HB2 GLU 15 188.853 -1.644 5.044 80 HB3 GLU 15 HB3 GLU 15 190.511 -1.061 5.065 81 HG2 GLU 15 HG2 GLU 15 189.922 0.927 6.147 82 HG3 GLU 15 HG3 GLU 15 188.211 0.720 5.777 83 H ALA 16 H ALA 16 191.589 -0.205 2.374 84 HA ALA 16 HA ALA 16 190.842 -2.179 0.377 85 HB1 ALA 16 HB1 ALA 16 192.481 -0.028 0.286 86 HB2 ALA 16 HB2 ALA 16 192.537 -1.370 -0.856 87 HB3 ALA 16 HB3 ALA 16 193.649 -1.329 0.510 88 H ILE 17 H ILE 17 191.114 -4.271 0.568 89 HA ILE 17 HA ILE 17 192.892 -5.305 2.665 90 HB ILE 17 HB ILE 17 190.808 -6.909 1.200 91 HG12 ILE 17 HG12 ILE 17 189.621 -5.011 2.119 92 HG13 ILE 17 HG13 ILE 17 189.285 -6.425 3.113 93 HG21 ILE 17 HG21 ILE 17 191.198 -8.530 2.716 94 HG22 ILE 17 HG22 ILE 17 191.461 -7.387 4.033 95 HG23 ILE 17 HG23 ILE 17 192.753 -7.713 2.878 96 HD11 ILE 17 HD11 ILE 17 189.676 -4.343 4.397 97 HD12 ILE 17 HD12 ILE 17 191.332 -4.334 3.793 98 HD13 ILE 17 HD13 ILE 17 190.773 -5.658 4.814 99 H TYR 18 H TYR 18 194.855 -5.829 1.904 100 HA TYR 18 HA TYR 18 195.265 -6.624 -0.822 101 HB2 TYR 18 HB2 TYR 18 197.539 -6.436 -0.375 102 HB3 TYR 18 HB3 TYR 18 196.842 -5.263 0.726 103 HD1 TYR 18 HD1 TYR 18 196.365 -6.130 3.150 104 HD2 TYR 18 HD2 TYR 18 199.047 -8.005 0.430 105 HE1 TYR 18 HE1 TYR 18 197.502 -7.226 5.035 106 HE2 TYR 18 HE2 TYR 18 200.191 -9.105 2.307 107 HH TYR 18 HH TYR 18 200.268 -8.288 5.150 108 HA PRO 19 HA PRO 19 196.826 -7.697 -1.883 109 HB2 PRO 19 HB2 PRO 19 196.700 -9.966 -3.587 110 HB3 PRO 19 HB3 PRO 19 198.109 -9.361 -2.716 111 HG2 PRO 19 HG2 PRO 19 196.815 -11.782 -2.229 112 HG3 PRO 19 HG3 PRO 19 197.940 -10.970 -1.127 113 HD2 PRO 19 HD2 PRO 19 194.952 -11.003 -1.110 114 HD3 PRO 19 HD3 PRO 19 196.090 -10.999 0.254 115 H ARG 20 H ARG 20 193.776 -8.989 -1.488 116 HA ARG 20 HA ARG 20 192.628 -7.348 -3.456 117 HB2 ARG 20 HB2 ARG 20 191.600 -9.117 -4.850 118 HB3 ARG 20 HB3 ARG 20 193.349 -9.063 -5.002 119 HG2 ARG 20 HG2 ARG 20 192.664 -10.868 -2.905 120 HG3 ARG 20 HG3 ARG 20 191.716 -11.264 -4.339 121 HD2 ARG 20 HD2 ARG 20 194.425 -10.692 -5.093 122 HD3 ARG 20 HD3 ARG 20 194.406 -11.901 -3.809 123 HE ARG 20 HE ARG 20 193.482 -13.401 -5.276 124 HH11 ARG 20 HH11 ARG 20 193.264 -10.196 -6.639 125 HH12 ARG 20 HH12 ARG 20 192.742 -10.757 -8.192 126 HH21 ARG 20 HH21 ARG 20 192.796 -14.140 -7.317 127 HH22 ARG 20 HH22 ARG 20 192.477 -12.995 -8.578 128 H GLY 21 H GLY 21 191.257 -6.597 -1.923 129 HA2 GLY 21 HA2 GLY 21 188.918 -8.075 -1.357 130 HA3 GLY 21 HA3 GLY 21 189.953 -8.058 0.051 131 H LEU 22 H LEU 22 187.442 -6.935 0.159 132 HA LEU 22 HA LEU 22 188.123 -4.107 0.527 133 HB2 LEU 22 HB2 LEU 22 186.959 -4.060 -1.534 134 HB3 LEU 22 HB3 LEU 22 185.756 -5.202 -0.969 135 HG LEU 22 HG LEU 22 184.813 -3.515 0.521 136 HD11 LEU 22 HD11 LEU 22 185.807 -1.591 1.065 137 HD12 LEU 22 HD12 LEU 22 186.288 -1.258 -0.600 138 HD13 LEU 22 HD13 LEU 22 187.270 -2.322 0.406 139 HD21 LEU 22 HD21 LEU 22 183.583 -2.545 -1.103 140 HD22 LEU 22 HD22 LEU 22 184.474 -3.656 -2.141 141 HD23 LEU 22 HD23 LEU 22 184.998 -1.980 -1.989 142 H ARG 23 H ARG 23 187.125 -3.098 2.241 143 HA ARG 23 HA ARG 23 185.256 -4.678 3.858 144 HB2 ARG 23 HB2 ARG 23 187.886 -3.522 4.713 145 HB3 ARG 23 HB3 ARG 23 186.574 -3.654 5.875 146 HG2 ARG 23 HG2 ARG 23 187.023 -6.106 4.365 147 HG3 ARG 23 HG3 ARG 23 188.420 -5.594 5.315 148 HD2 ARG 23 HD2 ARG 23 185.834 -5.431 6.704 149 HD3 ARG 23 HD3 ARG 23 186.352 -7.062 6.283 150 HE ARG 23 HE ARG 23 187.434 -5.403 8.321 151 HH11 ARG 23 HH11 ARG 23 188.300 -7.835 5.974 152 HH12 ARG 23 HH12 ARG 23 189.664 -8.402 6.878 153 HH21 ARG 23 HH21 ARG 23 189.226 -6.147 9.512 154 HH22 ARG 23 HH22 ARG 23 190.190 -7.444 8.889 155 H VAL 24 H VAL 24 183.491 -3.408 3.512 156 HA VAL 24 HA VAL 24 183.761 -0.521 3.991 157 HB VAL 24 HB VAL 24 181.424 -1.938 2.717 158 HG11 VAL 24 HG11 VAL 24 182.166 0.909 3.195 159 HG12 VAL 24 HG12 VAL 24 180.604 0.107 3.361 160 HG13 VAL 24 HG13 VAL 24 181.229 0.494 1.759 161 HG21 VAL 24 HG21 VAL 24 182.447 -0.848 0.602 162 HG22 VAL 24 HG22 VAL 24 183.118 -2.368 1.192 163 HG23 VAL 24 HG23 VAL 24 183.947 -0.848 1.530 164 H SER 25 H SER 25 182.066 0.579 5.163 165 HA SER 25 HA SER 25 180.300 -0.970 6.845 166 HB2 SER 25 HB2 SER 25 182.088 0.855 8.380 167 HB3 SER 25 HB3 SER 25 181.286 -0.629 8.893 168 HG SER 25 HG SER 25 183.540 -0.917 8.691 169 H ILE 26 H ILE 26 178.676 0.303 7.840 170 HA ILE 26 HA ILE 26 178.713 3.185 7.289 171 HB ILE 26 HB ILE 26 176.326 3.014 6.457 172 HG12 ILE 26 HG12 ILE 26 176.789 0.334 5.383 173 HG13 ILE 26 HG13 ILE 26 176.613 0.359 7.134 174 HG21 ILE 26 HG21 ILE 26 177.038 2.431 4.141 175 HG22 ILE 26 HG22 ILE 26 178.593 1.928 4.804 176 HG23 ILE 26 HG23 ILE 26 178.073 3.608 4.947 177 HD11 ILE 26 HD11 ILE 26 174.456 1.316 6.992 178 HD12 ILE 26 HD12 ILE 26 174.507 -0.012 5.831 179 HD13 ILE 26 HD13 ILE 26 174.648 1.656 5.273 180 HA PRO 27 HA PRO 27 177.068 3.159 11.457 181 HB2 PRO 27 HB2 PRO 27 176.091 5.759 11.344 182 HB3 PRO 27 HB3 PRO 27 177.726 5.303 11.828 183 HG2 PRO 27 HG2 PRO 27 176.739 6.329 9.213 184 HG3 PRO 27 HG3 PRO 27 178.282 6.627 10.031 185 HD2 PRO 27 HD2 PRO 27 178.067 4.941 7.936 186 HD3 PRO 27 HD3 PRO 27 179.215 4.663 9.260 187 H ASP 28 H ASP 28 175.381 1.711 11.163 188 HA ASP 28 HA ASP 28 173.047 2.132 9.700 189 HB2 ASP 28 HB2 ASP 28 173.704 -0.075 10.493 190 HB3 ASP 28 HB3 ASP 28 173.482 0.433 12.162 191 H ASP 29 H ASP 29 170.859 2.404 10.506 192 HA ASP 29 HA ASP 29 170.556 3.876 12.998 193 HB2 ASP 29 HB2 ASP 29 170.935 5.356 10.770 194 HB3 ASP 29 HB3 ASP 29 169.192 5.122 10.678 195 H GLY 30 H GLY 30 169.746 1.331 12.521 196 HA2 GLY 30 HA2 GLY 30 167.922 -0.009 12.816 197 HA3 GLY 30 HA3 GLY 30 166.994 1.455 13.063 198 H PHE 31 H PHE 31 168.805 0.571 10.168 199 HA PHE 31 HA PHE 31 166.441 1.001 8.559 200 HB2 PHE 31 HB2 PHE 31 169.155 0.078 7.612 201 HB3 PHE 31 HB3 PHE 31 167.888 0.830 6.650 202 HD1 PHE 31 HD1 PHE 31 167.085 3.164 7.946 203 HD2 PHE 31 HD2 PHE 31 170.969 1.433 7.903 204 HE1 PHE 31 HE1 PHE 31 168.068 5.376 8.391 205 HE2 PHE 31 HE2 PHE 31 171.960 3.637 8.353 206 HZ PHE 31 HZ PHE 31 170.512 5.612 8.595 207 H SER 32 H SER 32 166.703 -0.682 6.497 208 HA SER 32 HA SER 32 166.469 -3.379 7.615 209 HB2 SER 32 HB2 SER 32 164.295 -1.890 6.811 210 HB3 SER 32 HB3 SER 32 164.663 -2.833 5.367 211 HG SER 32 HG SER 32 163.454 -3.629 7.604 212 H LEU 33 H LEU 33 167.320 -1.287 4.918 213 HA LEU 33 HA LEU 33 168.778 -3.592 3.806 214 HB2 LEU 33 HB2 LEU 33 166.535 -3.101 2.579 215 HB3 LEU 33 HB3 LEU 33 167.404 -1.737 1.924 216 HG LEU 33 HG LEU 33 169.172 -3.349 1.134 217 HD11 LEU 33 HD11 LEU 33 168.014 -5.161 2.707 218 HD12 LEU 33 HD12 LEU 33 168.920 -5.594 1.256 219 HD13 LEU 33 HD13 LEU 33 167.159 -5.513 1.207 220 HD21 LEU 33 HD21 LEU 33 166.654 -4.093 -0.230 221 HD22 LEU 33 HD22 LEU 33 168.171 -3.481 -0.891 222 HD23 LEU 33 HD23 LEU 33 167.034 -2.374 -0.121 223 H PHE 34 H PHE 34 170.719 -3.178 3.000 224 HA PHE 34 HA PHE 34 171.549 -0.383 2.669 225 HB2 PHE 34 HB2 PHE 34 172.477 -1.167 4.748 226 HB3 PHE 34 HB3 PHE 34 173.056 -2.639 3.988 227 HD1 PHE 34 HD1 PHE 34 173.318 0.974 3.094 228 HD2 PHE 34 HD2 PHE 34 175.345 -2.678 3.911 229 HE1 PHE 34 HE1 PHE 34 175.466 2.054 2.579 230 HE2 PHE 34 HE2 PHE 34 177.497 -1.603 3.395 231 HZ PHE 34 HZ PHE 34 177.559 0.766 2.728 232 H ALA 35 H ALA 35 171.511 -0.361 0.449 233 HA ALA 35 HA ALA 35 172.908 -2.475 -1.012 234 HB1 ALA 35 HB1 ALA 35 170.699 -0.710 -1.591 235 HB2 ALA 35 HB2 ALA 35 171.217 -2.171 -2.429 236 HB3 ALA 35 HB3 ALA 35 171.932 -0.615 -2.848 237 H PHE 36 H PHE 36 174.809 -2.161 -2.047 238 HA PHE 36 HA PHE 36 175.960 0.548 -1.927 239 HB2 PHE 36 HB2 PHE 36 176.947 -1.183 -0.346 240 HB3 PHE 36 HB3 PHE 36 177.555 -2.008 -1.777 241 HD1 PHE 36 HD1 PHE 36 178.985 -0.562 -3.397 242 HD2 PHE 36 HD2 PHE 36 178.236 0.432 0.673 243 HE1 PHE 36 HE1 PHE 36 180.973 0.889 -3.389 244 HE2 PHE 36 HE2 PHE 36 180.221 1.886 0.687 245 HZ PHE 36 HZ PHE 36 181.592 2.115 -1.347 246 H HIS 37 H HIS 37 176.529 1.408 -3.797 247 HA HIS 37 HA HIS 37 177.057 -0.350 -6.098 248 HB2 HIS 37 HB2 HIS 37 175.043 1.635 -5.747 249 HB3 HIS 37 HB3 HIS 37 176.204 2.246 -6.907 250 HD1 HIS 37 HD1 HIS 37 175.535 -1.415 -6.787 251 HD2 HIS 37 HD2 HIS 37 174.328 1.891 -8.993 252 HE1 HIS 37 HE1 HIS 37 174.312 -2.346 -8.774 253 HE2 HIS 37 HE2 HIS 37 173.480 -0.323 -10.025 254 H GLY 38 H GLY 38 179.143 -0.077 -6.866 255 HA2 GLY 38 HA2 GLY 38 180.273 2.605 -6.818 256 HA3 GLY 38 HA3 GLY 38 181.054 1.462 -5.746 257 H LYS 39 H LYS 39 181.819 2.974 -8.257 258 HA LYS 39 HA LYS 39 182.790 0.672 -9.811 259 HB2 LYS 39 HB2 LYS 39 181.349 2.733 -10.784 260 HB3 LYS 39 HB3 LYS 39 182.966 3.399 -10.959 261 HG2 LYS 39 HG2 LYS 39 183.579 1.271 -12.169 262 HG3 LYS 39 HG3 LYS 39 181.855 0.897 -12.191 263 HD2 LYS 39 HD2 LYS 39 182.357 3.602 -13.082 264 HD3 LYS 39 HD3 LYS 39 183.269 2.434 -14.040 265 HE2 LYS 39 HE2 LYS 39 181.401 2.095 -15.206 266 HE3 LYS 39 HE3 LYS 39 180.754 1.290 -13.779 267 HZ1 LYS 39 HZ1 LYS 39 180.564 4.208 -13.920 268 HZ2 LYS 39 HZ2 LYS 39 179.509 3.091 -13.212 269 HZ3 LYS 39 HZ3 LYS 39 179.517 3.300 -14.891 270 H LEU 40 H LEU 40 184.972 0.618 -10.420 271 HA LEU 40 HA LEU 40 186.717 2.190 -8.669 272 HB2 LEU 40 HB2 LEU 40 186.882 -0.263 -8.563 273 HB3 LEU 40 HB3 LEU 40 187.301 -0.304 -10.264 274 HG LEU 40 HG LEU 40 189.265 1.281 -9.483 275 HD11 LEU 40 HD11 LEU 40 190.076 0.712 -7.265 276 HD12 LEU 40 HD12 LEU 40 188.654 -0.295 -6.987 277 HD13 LEU 40 HD13 LEU 40 188.477 1.450 -7.169 278 HD21 LEU 40 HD21 LEU 40 189.509 -1.621 -8.783 279 HD22 LEU 40 HD22 LEU 40 190.682 -0.559 -9.563 280 HD23 LEU 40 HD23 LEU 40 189.262 -1.107 -10.453 281 H ASN 41 H ASN 41 187.775 3.862 -9.475 282 HA ASN 41 HA ASN 41 188.823 5.281 -10.909 283 HB2 ASN 41 HB2 ASN 41 190.241 3.212 -11.246 284 HB3 ASN 41 HB3 ASN 41 189.279 2.879 -12.684 285 HD21 ASN 41 HD21 ASN 41 191.246 5.398 -11.171 286 HD22 ASN 41 HD22 ASN 41 191.888 6.028 -12.645 287 H GLU 42 H GLU 42 186.232 5.557 -11.115 288 HA GLU 42 HA GLU 42 185.741 6.681 -13.572 289 HB2 GLU 42 HB2 GLU 42 185.755 4.411 -14.505 290 HB3 GLU 42 HB3 GLU 42 184.499 3.931 -13.369 291 HG2 GLU 42 HG2 GLU 42 182.960 5.521 -14.383 292 HG3 GLU 42 HG3 GLU 42 184.218 6.028 -15.508 293 H GLU 43 H GLU 43 184.543 8.234 -12.780 294 HA GLU 43 HA GLU 43 182.943 8.156 -10.517 295 HB2 GLU 43 HB2 GLU 43 182.547 9.990 -12.881 296 HB3 GLU 43 HB3 GLU 43 182.046 10.286 -11.221 297 HG2 GLU 43 HG2 GLU 43 184.354 10.374 -10.512 298 HG3 GLU 43 HG3 GLU 43 184.883 9.993 -12.143 299 H MET 44 H MET 44 180.507 9.191 -11.077 300 HA MET 44 HA MET 44 179.088 7.408 -12.875 301 HB2 MET 44 HB2 MET 44 177.863 7.441 -10.200 302 HB3 MET 44 HB3 MET 44 178.030 6.119 -11.346 303 HG2 MET 44 HG2 MET 44 180.272 5.696 -10.632 304 HG3 MET 44 HG3 MET 44 180.273 7.138 -9.624 305 HE1 MET 44 HE1 MET 44 179.216 3.231 -9.657 306 HE2 MET 44 HE2 MET 44 177.944 4.212 -10.385 307 HE3 MET 44 HE3 MET 44 177.672 3.431 -8.826 308 H ASP 45 H ASP 45 177.652 8.620 -13.921 309 HA ASP 45 HA ASP 45 176.885 11.189 -12.914 310 HB2 ASP 45 HB2 ASP 45 175.485 10.720 -15.250 311 HB3 ASP 45 HB3 ASP 45 177.019 11.550 -15.119 312 H GLY 46 H GLY 46 175.846 9.647 -11.102 313 HA2 GLY 46 HA2 GLY 46 173.477 10.016 -10.394 314 HA3 GLY 46 HA3 GLY 46 173.093 9.135 -11.855 315 H LEU 47 H LEU 47 172.551 7.112 -11.491 316 HA LEU 47 HA LEU 47 173.932 5.655 -9.369 317 HB2 LEU 47 HB2 LEU 47 171.059 5.396 -10.222 318 HB3 LEU 47 HB3 LEU 47 171.844 4.552 -8.911 319 HG LEU 47 HG LEU 47 171.735 7.540 -8.944 320 HD11 LEU 47 HD11 LEU 47 169.433 6.180 -9.098 321 HD12 LEU 47 HD12 LEU 47 169.616 7.645 -8.134 322 HD13 LEU 47 HD13 LEU 47 169.710 6.062 -7.360 323 HD21 LEU 47 HD21 LEU 47 173.232 6.189 -7.402 324 HD22 LEU 47 HD22 LEU 47 171.752 5.656 -6.603 325 HD23 LEU 47 HD23 LEU 47 172.163 7.369 -6.640 326 H GLU 48 H GLU 48 175.369 5.076 -11.169 327 HA GLU 48 HA GLU 48 174.278 3.287 -13.183 328 HB2 GLU 48 HB2 GLU 48 176.891 4.634 -12.716 329 HB3 GLU 48 HB3 GLU 48 176.899 3.143 -13.649 330 HG2 GLU 48 HG2 GLU 48 174.982 4.313 -14.984 331 HG3 GLU 48 HG3 GLU 48 175.684 5.780 -14.302 332 H ALA 49 H ALA 49 175.079 1.141 -13.515 333 HA ALA 49 HA ALA 49 174.965 -0.513 -11.328 334 HB1 ALA 49 HB1 ALA 49 176.257 -2.138 -12.944 335 HB2 ALA 49 HB2 ALA 49 175.942 -0.857 -14.113 336 HB3 ALA 49 HB3 ALA 49 174.599 -1.640 -13.279 337 H GLY 50 H GLY 50 177.705 1.218 -12.582 338 HA2 GLY 50 HA2 GLY 50 179.920 1.290 -11.964 339 HA3 GLY 50 HA3 GLY 50 179.276 1.078 -10.343 340 H HIS 51 H HIS 51 180.223 -0.511 -9.286 341 HA HIS 51 HA HIS 51 180.744 -3.027 -10.673 342 HB2 HIS 51 HB2 HIS 51 182.789 -1.254 -10.046 343 HB3 HIS 51 HB3 HIS 51 182.831 -2.423 -8.732 344 HD1 HIS 51 HD1 HIS 51 184.057 -1.898 -12.067 345 HD2 HIS 51 HD2 HIS 51 182.975 -5.206 -9.799 346 HE1 HIS 51 HE1 HIS 51 185.126 -3.870 -13.202 347 HE2 HIS 51 HE2 HIS 51 184.525 -5.850 -11.766 348 H TRP 52 H TRP 52 181.495 -1.780 -7.430 349 HA TRP 52 HA TRP 52 180.668 -4.115 -6.104 350 HB2 TRP 52 HB2 TRP 52 180.941 -1.278 -5.085 351 HB3 TRP 52 HB3 TRP 52 180.696 -2.685 -4.053 352 HD1 TRP 52 HD1 TRP 52 182.719 -4.638 -4.318 353 HE1 TRP 52 HE1 TRP 52 185.253 -4.251 -4.508 354 HE3 TRP 52 HE3 TRP 52 182.685 0.246 -5.831 355 HZ2 TRP 52 HZ2 TRP 52 187.010 -2.152 -5.205 356 HZ3 TRP 52 HZ3 TRP 52 184.838 1.369 -6.237 357 HH2 TRP 52 HH2 TRP 52 186.954 0.193 -5.930 358 H ALA 53 H ALA 53 178.642 -4.719 -6.830 359 HA ALA 53 HA ALA 53 176.407 -2.980 -6.013 360 HB1 ALA 53 HB1 ALA 53 175.078 -3.999 -7.792 361 HB2 ALA 53 HB2 ALA 53 176.463 -4.981 -8.270 362 HB3 ALA 53 HB3 ALA 53 176.525 -3.226 -8.438 363 H ARG 54 H ARG 54 176.317 -3.906 -3.915 364 HA ARG 54 HA ARG 54 175.110 -6.577 -3.891 365 HB2 ARG 54 HB2 ARG 54 177.462 -6.797 -3.302 366 HB3 ARG 54 HB3 ARG 54 177.275 -5.599 -2.036 367 HG2 ARG 54 HG2 ARG 54 177.021 -7.391 -0.711 368 HG3 ARG 54 HG3 ARG 54 175.366 -7.378 -1.324 369 HD2 ARG 54 HD2 ARG 54 175.695 -9.423 -2.126 370 HD3 ARG 54 HD3 ARG 54 176.896 -8.760 -3.231 371 HE ARG 54 HE ARG 54 177.903 -9.322 -0.591 372 HH11 ARG 54 HH11 ARG 54 177.316 -10.614 -3.781 373 HH12 ARG 54 HH12 ARG 54 178.513 -11.855 -3.636 374 HH21 ARG 54 HH21 ARG 54 179.478 -10.958 -0.399 375 HH22 ARG 54 HH22 ARG 54 179.740 -12.052 -1.716 376 H ASP 55 H ASP 55 173.303 -6.709 -2.730 377 HA ASP 55 HA ASP 55 172.524 -4.435 -1.057 378 HB2 ASP 55 HB2 ASP 55 170.255 -5.660 -1.183 379 HB3 ASP 55 HB3 ASP 55 170.832 -4.836 -2.623 380 H ILE 56 H ILE 56 172.484 -4.609 1.100 381 HA ILE 56 HA ILE 56 172.680 -7.309 2.266 382 HB ILE 56 HB ILE 56 173.497 -4.780 3.676 383 HG12 ILE 56 HG12 ILE 56 175.330 -6.601 2.104 384 HG13 ILE 56 HG13 ILE 56 174.744 -5.051 1.507 385 HG21 ILE 56 HG21 ILE 56 173.126 -7.268 4.644 386 HG22 ILE 56 HG22 ILE 56 174.287 -6.118 5.310 387 HG23 ILE 56 HG23 ILE 56 174.825 -7.360 4.180 388 HD11 ILE 56 HD11 ILE 56 176.270 -3.930 2.663 389 HD12 ILE 56 HD12 ILE 56 177.053 -5.487 2.934 390 HD13 ILE 56 HD13 ILE 56 175.940 -4.837 4.138 391 H THR 57 H THR 57 171.369 -7.892 3.965 392 HA THR 57 HA THR 57 169.327 -5.946 4.804 393 HB THR 57 HB THR 57 168.285 -7.397 3.166 394 HG1 THR 57 HG1 THR 57 166.663 -8.299 4.515 395 HG21 THR 57 HG21 THR 57 168.614 -9.578 2.943 396 HG22 THR 57 HG22 THR 57 168.378 -9.872 4.666 397 HG23 THR 57 HG23 THR 57 169.961 -9.383 4.063 398 H LYS 58 H LYS 58 171.805 -6.896 6.083 399 HA LYS 58 HA LYS 58 170.663 -7.522 8.659 400 HB2 LYS 58 HB2 LYS 58 171.422 -9.670 7.125 401 HB3 LYS 58 HB3 LYS 58 172.871 -9.365 8.074 402 HG2 LYS 58 HG2 LYS 58 171.486 -9.460 10.127 403 HG3 LYS 58 HG3 LYS 58 170.102 -9.905 9.125 404 HD2 LYS 58 HD2 LYS 58 170.784 -12.005 9.614 405 HD3 LYS 58 HD3 LYS 58 171.896 -11.721 8.273 406 HE2 LYS 58 HE2 LYS 58 173.219 -10.639 10.437 407 HE3 LYS 58 HE3 LYS 58 172.439 -12.068 11.113 408 HZ1 LYS 58 HZ1 LYS 58 173.683 -13.460 9.853 409 HZ2 LYS 58 HZ2 LYS 58 174.783 -12.178 9.943 410 HZ3 LYS 58 HZ3 LYS 58 173.827 -12.375 8.562 411 HA PRO 59 HA PRO 59 174.078 -4.510 9.051 412 HB2 PRO 59 HB2 PRO 59 172.913 -4.397 11.778 413 HB3 PRO 59 HB3 PRO 59 173.311 -3.082 10.670 414 HG2 PRO 59 HG2 PRO 59 170.776 -3.805 11.098 415 HG3 PRO 59 HG3 PRO 59 171.330 -3.301 9.492 416 HD2 PRO 59 HD2 PRO 59 170.769 -6.044 10.531 417 HD3 PRO 59 HD3 PRO 59 170.470 -5.364 8.919 418 H LYS 60 H LYS 60 175.813 -4.277 10.672 419 HA LYS 60 HA LYS 60 176.558 -6.904 11.769 420 HB2 LYS 60 HB2 LYS 60 178.009 -5.581 10.025 421 HB3 LYS 60 HB3 LYS 60 178.508 -4.653 11.432 422 HG2 LYS 60 HG2 LYS 60 180.129 -6.334 11.131 423 HG3 LYS 60 HG3 LYS 60 179.147 -6.834 12.510 424 HD2 LYS 60 HD2 LYS 60 177.775 -8.082 10.627 425 HD3 LYS 60 HD3 LYS 60 179.316 -7.987 9.770 426 HE2 LYS 60 HE2 LYS 60 179.227 -10.072 10.953 427 HE3 LYS 60 HE3 LYS 60 180.412 -9.029 11.739 428 HZ1 LYS 60 HZ1 LYS 60 179.178 -8.881 13.600 429 HZ2 LYS 60 HZ2 LYS 60 178.518 -10.341 13.056 430 HZ3 LYS 60 HZ3 LYS 60 177.700 -8.887 12.776 431 H GLU 61 H GLU 61 174.756 -5.157 13.087 432 HA GLU 61 HA GLU 61 174.319 -4.653 15.259 433 HB2 GLU 61 HB2 GLU 61 176.691 -6.049 15.548 434 HB3 GLU 61 HB3 GLU 61 177.031 -4.505 16.318 435 HG2 GLU 61 HG2 GLU 61 176.069 -5.328 18.134 436 HG3 GLU 61 HG3 GLU 61 174.533 -5.186 17.283 437 H GLY 62 H GLY 62 173.654 -2.667 14.565 438 HA2 GLY 62 HA2 GLY 62 173.598 -0.376 14.748 439 HA3 GLY 62 HA3 GLY 62 175.106 -0.461 15.647 440 H ARG 63 H ARG 63 175.802 -2.162 12.990 441 HA ARG 63 HA ARG 63 176.146 0.004 11.110 442 HB2 ARG 63 HB2 ARG 63 178.320 -0.832 12.907 443 HB3 ARG 63 HB3 ARG 63 178.762 -0.779 11.206 444 HG2 ARG 63 HG2 ARG 63 178.134 1.530 11.055 445 HG3 ARG 63 HG3 ARG 63 177.495 1.505 12.699 446 HD2 ARG 63 HD2 ARG 63 179.564 1.557 13.652 447 HD3 ARG 63 HD3 ARG 63 180.319 0.686 12.317 448 HE ARG 63 HE ARG 63 179.691 3.054 11.197 449 HH11 ARG 63 HH11 ARG 63 181.371 2.213 14.138 450 HH12 ARG 63 HH12 ARG 63 182.371 3.625 14.118 451 HH21 ARG 63 HH21 ARG 63 181.004 4.912 11.169 452 HH22 ARG 63 HH22 ARG 63 182.162 5.159 12.432 453 H TRP 64 H TRP 64 176.124 -0.782 9.060 454 HA TRP 64 HA TRP 64 176.056 -3.631 8.692 455 HB2 TRP 64 HB2 TRP 64 176.050 -1.487 6.571 456 HB3 TRP 64 HB3 TRP 64 175.551 -3.152 6.392 457 HD1 TRP 64 HD1 TRP 64 174.429 -0.127 8.564 458 HE1 TRP 64 HE1 TRP 64 171.863 -0.168 8.679 459 HE3 TRP 64 HE3 TRP 64 173.547 -4.376 5.855 460 HZ2 TRP 64 HZ2 TRP 64 169.741 -1.775 7.743 461 HZ3 TRP 64 HZ3 TRP 64 171.217 -5.093 5.514 462 HH2 TRP 64 HH2 TRP 64 169.350 -3.817 6.445 463 H THR 65 H THR 65 177.406 -4.733 7.134 464 HA THR 65 HA THR 65 180.046 -3.515 6.727 465 HB THR 65 HB THR 65 179.680 -6.370 7.636 466 HG1 THR 65 HG1 THR 65 180.478 -4.149 9.205 467 HG21 THR 65 HG21 THR 65 181.912 -6.590 7.659 468 HG22 THR 65 HG22 THR 65 182.183 -4.915 8.132 469 HG23 THR 65 HG23 THR 65 181.843 -5.311 6.447 470 H PHE 66 H PHE 66 180.338 -3.439 4.606 471 HA PHE 66 HA PHE 66 179.410 -5.708 2.973 472 HB2 PHE 66 HB2 PHE 66 178.223 -3.732 2.321 473 HB3 PHE 66 HB3 PHE 66 179.702 -2.780 2.288 474 HD1 PHE 66 HD1 PHE 66 179.365 -6.169 0.871 475 HD2 PHE 66 HD2 PHE 66 179.534 -1.994 0.066 476 HE1 PHE 66 HE1 PHE 66 179.614 -6.647 -1.530 477 HE2 PHE 66 HE2 PHE 66 179.784 -2.463 -2.335 478 HZ PHE 66 HZ PHE 66 179.826 -4.793 -3.136 479 H ARG 67 H ARG 67 181.340 -6.880 3.326 480 HA ARG 67 HA ARG 67 183.780 -5.702 2.195 481 HB2 ARG 67 HB2 ARG 67 184.983 -7.493 3.350 482 HB3 ARG 67 HB3 ARG 67 183.984 -6.578 4.471 483 HG2 ARG 67 HG2 ARG 67 182.674 -8.930 3.314 484 HG3 ARG 67 HG3 ARG 67 184.078 -9.284 4.324 485 HD2 ARG 67 HD2 ARG 67 182.333 -7.276 5.499 486 HD3 ARG 67 HD3 ARG 67 181.501 -8.803 5.203 487 HE ARG 67 HE ARG 67 184.049 -9.102 6.500 488 HH11 ARG 67 HH11 ARG 67 180.639 -8.538 6.983 489 HH12 ARG 67 HH12 ARG 67 180.643 -9.136 8.608 490 HH21 ARG 67 HH21 ARG 67 184.056 -9.888 8.639 491 HH22 ARG 67 HH22 ARG 67 182.582 -9.902 9.548 492 H ASP 68 H ASP 68 185.039 -6.862 0.692 493 HA ASP 68 HA ASP 68 183.766 -9.163 -0.606 494 HB2 ASP 68 HB2 ASP 68 184.160 -6.488 -1.759 495 HB3 ASP 68 HB3 ASP 68 184.779 -7.798 -2.760 496 H ARG 69 H ARG 69 185.212 -10.739 -0.493 497 HA ARG 69 HA ARG 69 188.054 -10.132 -0.428 498 HB2 ARG 69 HB2 ARG 69 186.422 -12.605 0.061 499 HB3 ARG 69 HB3 ARG 69 188.163 -12.708 -0.161 500 HG2 ARG 69 HG2 ARG 69 187.959 -12.592 2.130 501 HG3 ARG 69 HG3 ARG 69 188.261 -10.908 1.696 502 HD2 ARG 69 HD2 ARG 69 186.265 -10.255 2.451 503 HD3 ARG 69 HD3 ARG 69 185.435 -11.583 1.640 504 HE ARG 69 HE ARG 69 185.464 -12.761 3.605 505 HH11 ARG 69 HH11 ARG 69 187.680 -10.076 3.859 506 HH12 ARG 69 HH12 ARG 69 187.959 -10.304 5.553 507 HH21 ARG 69 HH21 ARG 69 185.829 -13.062 5.833 508 HH22 ARG 69 HH22 ARG 69 186.909 -11.999 6.674 509 H ASN 70 H ASN 70 186.338 -9.902 -2.915 510 HA ASN 70 HA ASN 70 188.182 -11.339 -4.662 511 HB2 ASN 70 HB2 ASN 70 185.182 -11.613 -4.722 512 HB3 ASN 70 HB3 ASN 70 186.177 -11.945 -6.138 513 HD21 ASN 70 HD21 ASN 70 184.598 -13.414 -3.774 514 HD22 ASN 70 HD22 ASN 70 185.583 -14.814 -3.540 515 H ALA 71 H ALA 71 187.836 -8.549 -3.896 516 HA ALA 71 HA ALA 71 186.827 -7.325 -6.358 517 HB1 ALA 71 HB1 ALA 71 186.050 -6.421 -4.201 518 HB2 ALA 71 HB2 ALA 71 186.910 -5.220 -5.167 519 HB3 ALA 71 HB3 ALA 71 187.713 -5.994 -3.801 520 H LYS 72 H LYS 72 188.144 -6.559 -7.884 521 HA LYS 72 HA LYS 72 190.986 -6.891 -7.613 522 HB2 LYS 72 HB2 LYS 72 189.550 -7.270 -9.716 523 HB3 LYS 72 HB3 LYS 72 189.605 -5.523 -9.908 524 HG2 LYS 72 HG2 LYS 72 192.088 -5.662 -9.908 525 HG3 LYS 72 HG3 LYS 72 191.939 -7.421 -9.898 526 HD2 LYS 72 HD2 LYS 72 190.697 -5.652 -11.998 527 HD3 LYS 72 HD3 LYS 72 192.290 -6.392 -12.163 528 HE2 LYS 72 HE2 LYS 72 191.420 -8.539 -12.279 529 HE3 LYS 72 HE3 LYS 72 189.907 -8.076 -11.504 530 HZ1 LYS 72 HZ1 LYS 72 189.638 -6.634 -13.631 531 HZ2 LYS 72 HZ2 LYS 72 189.275 -8.285 -13.684 532 HZ3 LYS 72 HZ3 LYS 72 190.747 -7.724 -14.298 533 H LEU 73 H LEU 73 191.806 -5.441 -6.158 534 HA LEU 73 HA LEU 73 191.406 -2.583 -6.760 535 HB2 LEU 73 HB2 LEU 73 192.505 -3.564 -4.156 536 HB3 LEU 73 HB3 LEU 73 191.671 -2.064 -4.508 537 HG LEU 73 HG LEU 73 190.427 -4.803 -4.276 538 HD11 LEU 73 HD11 LEU 73 190.204 -2.308 -2.601 539 HD12 LEU 73 HD12 LEU 73 190.962 -3.831 -2.136 540 HD13 LEU 73 HD13 LEU 73 189.220 -3.757 -2.395 541 HD21 LEU 73 HD21 LEU 73 188.952 -2.230 -4.732 542 HD22 LEU 73 HD22 LEU 73 188.353 -3.883 -4.854 543 HD23 LEU 73 HD23 LEU 73 189.467 -3.259 -6.068 544 H LYS 74 H LYS 74 193.227 -1.180 -6.648 545 HA LYS 74 HA LYS 74 195.856 -2.450 -6.574 546 HB2 LYS 74 HB2 LYS 74 194.723 -0.933 -8.912 547 HB3 LYS 74 HB3 LYS 74 196.457 -1.063 -8.652 548 HG2 LYS 74 HG2 LYS 74 196.385 -3.437 -8.875 549 HG3 LYS 74 HG3 LYS 74 194.620 -3.434 -8.890 550 HD2 LYS 74 HD2 LYS 74 195.377 -1.690 -10.939 551 HD3 LYS 74 HD3 LYS 74 196.482 -3.061 -11.066 552 HE2 LYS 74 HE2 LYS 74 193.469 -3.169 -11.034 553 HE3 LYS 74 HE3 LYS 74 194.517 -3.453 -12.423 554 HZ1 LYS 74 HZ1 LYS 74 194.035 -5.165 -10.082 555 HZ2 LYS 74 HZ2 LYS 74 195.513 -5.279 -10.897 556 HZ3 LYS 74 HZ3 LYS 74 194.067 -5.576 -11.724 557 H LEU 75 H LEU 75 197.579 -1.046 -6.147 558 HA LEU 75 HA LEU 75 197.002 1.059 -4.383 559 HB2 LEU 75 HB2 LEU 75 199.193 -0.453 -4.956 560 HB3 LEU 75 HB3 LEU 75 199.656 1.078 -5.673 561 HG LEU 75 HG LEU 75 200.501 0.812 -3.380 562 HD11 LEU 75 HD11 LEU 75 198.481 2.986 -3.854 563 HD12 LEU 75 HD12 LEU 75 200.221 3.041 -4.128 564 HD13 LEU 75 HD13 LEU 75 199.588 2.971 -2.483 565 HD21 LEU 75 HD21 LEU 75 199.148 -0.302 -1.987 566 HD22 LEU 75 HD22 LEU 75 197.693 0.161 -2.868 567 HD23 LEU 75 HD23 LEU 75 198.408 1.273 -1.704 568 H GLY 76 H GLY 76 196.693 3.172 -4.643 569 HA2 GLY 76 HA2 GLY 76 197.035 5.281 -5.654 570 HA3 GLY 76 HA3 GLY 76 197.552 4.463 -7.121 571 H ASP 77 H ASP 77 195.162 2.654 -6.929 572 HA ASP 77 HA ASP 77 193.500 3.986 -8.692 573 HB2 ASP 77 HB2 ASP 77 193.620 1.497 -8.278 574 HB3 ASP 77 HB3 ASP 77 192.614 1.762 -6.859 575 H LYS 78 H LYS 78 191.371 4.806 -8.480 576 HA LYS 78 HA LYS 78 190.813 5.946 -5.819 577 HB2 LYS 78 HB2 LYS 78 191.337 7.390 -7.998 578 HB3 LYS 78 HB3 LYS 78 189.625 7.125 -8.289 579 HG2 LYS 78 HG2 LYS 78 189.342 8.966 -7.059 580 HG3 LYS 78 HG3 LYS 78 189.613 7.897 -5.681 581 HD2 LYS 78 HD2 LYS 78 192.167 8.530 -6.446 582 HD3 LYS 78 HD3 LYS 78 191.293 10.030 -6.768 583 HE2 LYS 78 HE2 LYS 78 190.590 8.817 -4.212 584 HE3 LYS 78 HE3 LYS 78 192.299 9.232 -4.333 585 HZ1 LYS 78 HZ1 LYS 78 190.295 11.208 -5.167 586 HZ2 LYS 78 HZ2 LYS 78 191.841 11.450 -4.523 587 HZ3 LYS 78 HZ3 LYS 78 190.571 10.975 -3.513 588 H ILE 79 H ILE 79 188.633 6.102 -5.156 589 HA ILE 79 HA ILE 79 186.888 4.117 -6.439 590 HB ILE 79 HB ILE 79 187.228 4.813 -3.549 591 HG12 ILE 79 HG12 ILE 79 187.055 2.103 -3.803 592 HG13 ILE 79 HG13 ILE 79 187.757 2.547 -5.353 593 HG21 ILE 79 HG21 ILE 79 184.906 4.809 -3.627 594 HG22 ILE 79 HG22 ILE 79 185.291 3.130 -3.250 595 HG23 ILE 79 HG23 ILE 79 184.854 3.586 -4.896 596 HD11 ILE 79 HD11 ILE 79 189.258 2.005 -3.285 597 HD12 ILE 79 HD12 ILE 79 188.939 3.690 -2.884 598 HD13 ILE 79 HD13 ILE 79 189.699 3.279 -4.421 599 H TYR 80 H TYR 80 184.708 4.459 -6.667 600 HA TYR 80 HA TYR 80 183.575 7.047 -5.939 601 HB2 TYR 80 HB2 TYR 80 184.080 6.126 -8.732 602 HB3 TYR 80 HB3 TYR 80 182.552 6.940 -8.410 603 HD1 TYR 80 HD1 TYR 80 182.690 9.237 -7.226 604 HD2 TYR 80 HD2 TYR 80 185.998 7.378 -9.148 605 HE1 TYR 80 HE1 TYR 80 183.814 11.418 -7.385 606 HE2 TYR 80 HE2 TYR 80 187.133 9.553 -9.311 607 HH TYR 80 HH TYR 80 186.652 12.011 -7.635 608 H PHE 81 H PHE 81 181.535 6.699 -5.101 609 HA PHE 81 HA PHE 81 179.867 4.629 -6.234 610 HB2 PHE 81 HB2 PHE 81 179.625 3.464 -3.980 611 HB3 PHE 81 HB3 PHE 81 181.088 3.152 -4.886 612 HD1 PHE 81 HD1 PHE 81 179.898 5.698 -2.431 613 HD2 PHE 81 HD2 PHE 81 182.991 3.023 -3.608 614 HE1 PHE 81 HE1 PHE 81 181.220 6.377 -0.474 615 HE2 PHE 81 HE2 PHE 81 184.317 3.695 -1.648 616 HZ PHE 81 HZ PHE 81 183.434 5.374 -0.080 617 H TRP 82 H TRP 82 178.040 4.138 -4.568 618 HA TRP 82 HA TRP 82 177.126 6.410 -3.056 619 HB2 TRP 82 HB2 TRP 82 175.024 6.712 -4.249 620 HB3 TRP 82 HB3 TRP 82 176.376 7.017 -5.327 621 HD1 TRP 82 HD1 TRP 82 176.802 5.222 -7.291 622 HE1 TRP 82 HE1 TRP 82 175.206 3.566 -8.440 623 HE3 TRP 82 HE3 TRP 82 173.049 5.182 -3.823 624 HZ2 TRP 82 HZ2 TRP 82 172.687 2.392 -7.939 625 HZ3 TRP 82 HZ3 TRP 82 171.079 3.768 -4.236 626 HH2 TRP 82 HH2 TRP 82 170.904 2.402 -6.250 627 H THR 83 H THR 83 175.846 5.752 -1.380 628 HA THR 83 HA THR 83 175.337 2.857 -1.262 629 HB THR 83 HB THR 83 174.927 3.387 1.214 630 HG1 THR 83 HG1 THR 83 175.824 5.330 1.921 631 HG21 THR 83 HG21 THR 83 177.704 4.077 0.327 632 HG22 THR 83 HG22 THR 83 177.063 2.435 0.236 633 HG23 THR 83 HG23 THR 83 177.185 3.250 1.795 634 H TYR 84 H TYR 84 173.328 2.129 -0.127 635 HA TYR 84 HA TYR 84 171.082 3.975 -0.377 636 HB2 TYR 84 HB2 TYR 84 171.272 2.852 -2.551 637 HB3 TYR 84 HB3 TYR 84 171.225 1.289 -1.746 638 HD1 TYR 84 HD1 TYR 84 169.144 4.319 -1.142 639 HD2 TYR 84 HD2 TYR 84 169.255 0.291 -2.508 640 HE1 TYR 84 HE1 TYR 84 166.692 4.319 -1.323 641 HE2 TYR 84 HE2 TYR 84 166.803 0.280 -2.695 642 HH TYR 84 HH TYR 84 164.973 2.049 -3.016 643 H VAL 85 H VAL 85 170.125 3.879 1.570 644 HA VAL 85 HA VAL 85 170.040 1.277 2.942 645 HB VAL 85 HB VAL 85 170.757 2.361 4.757 646 HG11 VAL 85 HG11 VAL 85 171.847 4.015 3.444 647 HG12 VAL 85 HG12 VAL 85 171.071 4.841 4.796 648 HG13 VAL 85 HG13 VAL 85 170.340 4.898 3.194 649 HG21 VAL 85 HG21 VAL 85 168.194 3.937 4.538 650 HG22 VAL 85 HG22 VAL 85 169.269 3.971 5.934 651 HG23 VAL 85 HG23 VAL 85 168.474 2.467 5.474 652 H ILE 86 H ILE 86 168.046 0.922 4.304 653 HA ILE 86 HA ILE 86 165.643 2.193 3.200 654 HB ILE 86 HB ILE 86 165.899 -0.799 3.498 655 HG12 ILE 86 HG12 ILE 86 167.210 0.070 1.607 656 HG13 ILE 86 HG13 ILE 86 165.841 -0.904 1.080 657 HG21 ILE 86 HG21 ILE 86 163.710 -0.885 2.461 658 HG22 ILE 86 HG22 ILE 86 163.681 0.873 2.322 659 HG23 ILE 86 HG23 ILE 86 163.651 0.113 3.914 660 HD11 ILE 86 HD11 ILE 86 164.935 1.741 1.191 661 HD12 ILE 86 HD12 ILE 86 165.224 0.743 -0.233 662 HD13 ILE 86 HD13 ILE 86 166.509 1.772 0.398 663 H LYS 87 H LYS 87 164.920 3.150 4.987 664 HA LYS 87 HA LYS 87 164.922 1.700 7.525 665 HB2 LYS 87 HB2 LYS 87 165.671 4.190 7.138 666 HB3 LYS 87 HB3 LYS 87 163.948 4.515 7.219 667 HG2 LYS 87 HG2 LYS 87 165.072 2.848 9.379 668 HG3 LYS 87 HG3 LYS 87 165.548 4.547 9.354 669 HD2 LYS 87 HD2 LYS 87 163.645 4.784 10.558 670 HD3 LYS 87 HD3 LYS 87 162.910 4.820 8.954 671 HE2 LYS 87 HE2 LYS 87 161.681 3.059 9.517 672 HE3 LYS 87 HE3 LYS 87 163.159 2.107 9.662 673 HZ1 LYS 87 HZ1 LYS 87 161.464 2.495 11.667 674 HZ2 LYS 87 HZ2 LYS 87 162.506 3.802 11.929 675 HZ3 LYS 87 HZ3 LYS 87 163.119 2.226 11.897 676 H ASP 88 H ASP 88 163.231 0.371 6.140 677 HA ASP 88 HA ASP 88 161.090 -0.390 6.028 678 HB2 ASP 88 HB2 ASP 88 161.252 0.496 8.518 679 HB3 ASP 88 HB3 ASP 88 160.119 1.707 7.926 680 H GLY 89 H GLY 89 161.481 0.831 3.877 681 HA2 GLY 89 HA2 GLY 89 160.326 1.838 2.144 682 HA3 GLY 89 HA3 GLY 89 159.051 2.248 3.282 683 H LEU 90 H LEU 90 162.338 3.134 3.952 684 HA LEU 90 HA LEU 90 161.926 5.860 2.972 685 HB2 LEU 90 HB2 LEU 90 162.914 5.454 5.773 686 HB3 LEU 90 HB3 LEU 90 162.268 6.908 5.033 687 HG LEU 90 HG LEU 90 160.610 4.464 5.606 688 HD11 LEU 90 HD11 LEU 90 161.724 5.953 7.557 689 HD12 LEU 90 HD12 LEU 90 160.143 5.185 7.693 690 HD13 LEU 90 HD13 LEU 90 160.261 6.887 7.246 691 HD21 LEU 90 HD21 LEU 90 159.436 7.157 5.388 692 HD22 LEU 90 HD22 LEU 90 158.842 5.604 4.797 693 HD23 LEU 90 HD23 LEU 90 160.088 6.473 3.897 694 H GLY 91 H GLY 91 163.510 4.806 1.513 695 HA2 GLY 91 HA2 GLY 91 166.103 4.264 2.530 696 HA3 GLY 91 HA3 GLY 91 165.640 4.254 0.847 697 H TYR 92 H TYR 92 168.043 5.190 1.747 698 HA TYR 92 HA TYR 92 168.017 7.897 0.715 699 HB2 TYR 92 HB2 TYR 92 169.308 7.320 3.393 700 HB3 TYR 92 HB3 TYR 92 169.256 8.870 2.557 701 HD1 TYR 92 HD1 TYR 92 167.112 10.108 2.390 702 HD2 TYR 92 HD2 TYR 92 167.472 6.561 4.713 703 HE1 TYR 92 HE1 TYR 92 165.028 10.673 3.566 704 HE2 TYR 92 HE2 TYR 92 165.388 7.117 5.895 705 HH TYR 92 HH TYR 92 164.005 9.025 6.392 706 H ARG 93 H ARG 93 170.109 8.476 -0.176 707 HA ARG 93 HA ARG 93 172.033 6.262 -0.113 708 HB2 ARG 93 HB2 ARG 93 172.512 6.630 -2.480 709 HB3 ARG 93 HB3 ARG 93 170.820 6.195 -2.220 710 HG2 ARG 93 HG2 ARG 93 170.624 8.875 -2.145 711 HG3 ARG 93 HG3 ARG 93 172.000 8.694 -3.234 712 HD2 ARG 93 HD2 ARG 93 170.587 7.024 -4.513 713 HD3 ARG 93 HD3 ARG 93 169.221 7.585 -3.548 714 HE ARG 93 HE ARG 93 170.617 9.734 -4.814 715 HH11 ARG 93 HH11 ARG 93 168.232 7.238 -5.323 716 HH12 ARG 93 HH12 ARG 93 167.438 8.084 -6.608 717 HH21 ARG 93 HH21 ARG 93 169.572 10.849 -6.503 718 HH22 ARG 93 HH22 ARG 93 168.199 10.135 -7.280 719 H GLN 94 H GLN 94 174.161 6.715 -0.218 720 HA GLN 94 HA GLN 94 174.885 9.534 0.185 721 HB2 GLN 94 HB2 GLN 94 175.496 7.739 1.938 722 HB3 GLN 94 HB3 GLN 94 176.679 7.183 0.763 723 HG2 GLN 94 HG2 GLN 94 177.229 9.824 0.806 724 HG3 GLN 94 HG3 GLN 94 176.683 9.574 2.461 725 HE21 GLN 94 HE21 GLN 94 178.524 7.538 0.216 726 HE22 GLN 94 HE22 GLN 94 179.889 7.328 1.254 727 H ASP 95 H ASP 95 174.634 9.763 -2.130 728 HA ASP 95 HA ASP 95 176.453 8.380 -3.872 729 HB2 ASP 95 HB2 ASP 95 175.524 9.878 -5.623 730 HB3 ASP 95 HB3 ASP 95 174.288 9.004 -4.727 731 H ASN 96 H ASN 96 177.629 9.848 -5.534 732 HA ASN 96 HA ASN 96 179.409 11.188 -5.963 733 HB2 ASN 96 HB2 ASN 96 177.837 12.994 -5.470 734 HB3 ASN 96 HB3 ASN 96 178.195 12.857 -3.754 735 HD21 ASN 96 HD21 ASN 96 179.917 13.265 -6.832 736 HD22 ASN 96 HD22 ASN 96 181.017 14.465 -6.253 737 H GLY 97 H GLY 97 179.381 9.117 -3.680 738 HA2 GLY 97 HA2 GLY 97 181.340 10.094 -1.818 739 HA3 GLY 97 HA3 GLY 97 180.782 8.436 -1.965 740 H GLU 98 H GLU 98 183.430 9.046 -1.507 741 HA GLU 98 HA GLU 98 184.634 7.787 -3.814 742 HB2 GLU 98 HB2 GLU 98 184.762 10.225 -4.313 743 HB3 GLU 98 HB3 GLU 98 185.697 10.446 -2.840 744 HG2 GLU 98 HG2 GLU 98 187.202 8.579 -3.975 745 HG3 GLU 98 HG3 GLU 98 186.484 9.257 -5.436 746 H TRP 99 H TRP 99 186.549 6.723 -3.357 747 HA TRP 99 HA TRP 99 187.669 6.967 -0.679 748 HB2 TRP 99 HB2 TRP 99 185.985 5.229 -0.434 749 HB3 TRP 99 HB3 TRP 99 186.633 4.367 -1.823 750 HD1 TRP 99 HD1 TRP 99 188.297 5.699 1.437 751 HE1 TRP 99 HE1 TRP 99 189.744 3.797 2.391 752 HE3 TRP 99 HE3 TRP 99 187.250 2.084 -2.005 753 HZ2 TRP 99 HZ2 TRP 99 190.359 1.127 1.754 754 HZ3 TRP 99 HZ3 TRP 99 188.301 -0.123 -1.764 755 HH2 TRP 99 HH2 TRP 99 189.819 -0.592 0.083 756 H THR 100 H THR 100 189.750 5.622 -0.514 757 HA THR 100 HA THR 100 191.157 5.778 -3.099 758 HB THR 100 HB THR 100 191.732 7.365 -1.176 759 HG1 THR 100 HG1 THR 100 193.612 7.500 -2.099 760 HG21 THR 100 HG21 THR 100 192.418 6.606 0.789 761 HG22 THR 100 HG22 THR 100 193.653 5.612 0.020 762 HG23 THR 100 HG23 THR 100 192.029 4.964 0.266 763 H VAL 101 H VAL 101 193.057 4.441 -3.344 764 HA VAL 101 HA VAL 101 192.943 1.866 -1.903 765 HB VAL 101 HB VAL 101 193.818 2.033 -4.779 766 HG11 VAL 101 HG11 VAL 101 194.521 0.029 -3.829 767 HG12 VAL 101 HG12 VAL 101 193.000 -0.408 -4.605 768 HG13 VAL 101 HG13 VAL 101 193.055 -0.144 -2.863 769 HG21 VAL 101 HG21 VAL 101 191.022 1.585 -3.743 770 HG22 VAL 101 HG22 VAL 101 191.542 1.160 -5.370 771 HG23 VAL 101 HG23 VAL 101 191.566 2.845 -4.850 772 H THR 102 H THR 102 194.592 4.464 -1.836 773 HA THR 102 HA THR 102 197.200 3.894 -2.725 774 HB THR 102 HB THR 102 197.734 5.683 -0.857 775 HG1 THR 102 HG1 THR 102 195.017 6.278 -1.273 776 HG21 THR 102 HG21 THR 102 197.917 6.984 -2.627 777 HG22 THR 102 HG22 THR 102 196.165 7.181 -2.673 778 HG23 THR 102 HG23 THR 102 196.928 5.861 -3.563 779 H GLU 103 H GLU 103 195.487 2.596 -0.097 780 HA GLU 103 HA GLU 103 197.939 1.356 0.868 781 HB2 GLU 103 HB2 GLU 103 196.428 3.375 2.348 782 HB3 GLU 103 HB3 GLU 103 196.653 1.882 3.251 783 HG2 GLU 103 HG2 GLU 103 198.980 2.068 3.204 784 HG3 GLU 103 HG3 GLU 103 198.947 3.254 1.899 785 H PHE 104 H PHE 104 197.516 -0.460 2.359 786 HA PHE 104 HA PHE 104 194.822 -1.592 2.033 787 HB2 PHE 104 HB2 PHE 104 197.458 -3.024 1.630 788 HB3 PHE 104 HB3 PHE 104 195.903 -3.835 1.743 789 HD1 PHE 104 HD1 PHE 104 194.165 -3.382 -0.012 790 HD2 PHE 104 HD2 PHE 104 198.202 -2.089 -0.390 791 HE1 PHE 104 HE1 PHE 104 193.848 -3.116 -2.438 792 HE2 PHE 104 HE2 PHE 104 197.892 -1.823 -2.817 793 HZ PHE 104 HZ PHE 104 195.715 -2.336 -3.848 794 H VAL 105 H VAL 105 194.041 -2.693 3.815 795 HA VAL 105 HA VAL 105 195.686 -2.445 6.221 796 HB VAL 105 HB VAL 105 193.678 -2.650 7.530 797 HG11 VAL 105 HG11 VAL 105 194.269 -0.530 5.978 798 HG12 VAL 105 HG12 VAL 105 192.942 -0.554 7.139 799 HG13 VAL 105 HG13 VAL 105 192.625 -0.862 5.432 800 HG21 VAL 105 HG21 VAL 105 191.895 -3.787 6.827 801 HG22 VAL 105 HG22 VAL 105 192.678 -4.036 5.268 802 HG23 VAL 105 HG23 VAL 105 191.638 -2.633 5.517 803 H ASN 106 H ASN 106 195.548 -4.161 7.826 804 HA ASN 106 HA ASN 106 196.099 -6.719 6.610 805 HB2 ASN 106 HB2 ASN 106 196.585 -5.405 9.195 806 HB3 ASN 106 HB3 ASN 106 196.302 -7.140 9.290 807 HD21 ASN 106 HD21 ASN 106 198.619 -4.873 9.038 808 HD22 ASN 106 HD22 ASN 106 199.864 -5.796 8.274 809 H GLU 107 H GLU 107 195.136 -8.693 7.168 810 HA GLU 107 HA GLU 107 192.346 -8.714 7.266 811 HB2 GLU 107 HB2 GLU 107 194.410 -10.808 7.946 812 HB3 GLU 107 HB3 GLU 107 192.687 -11.138 8.063 813 HG2 GLU 107 HG2 GLU 107 192.383 -11.107 5.802 814 HG3 GLU 107 HG3 GLU 107 193.737 -10.012 5.523 815 H ASP 108 H ASP 108 194.678 -8.139 9.665 816 HA ASP 108 HA ASP 108 193.185 -8.971 11.955 817 HB2 ASP 108 HB2 ASP 108 195.705 -8.586 11.836 818 HB3 ASP 108 HB3 ASP 108 195.347 -6.863 11.900 819 H GLY 109 H GLY 109 193.379 -6.068 9.994 820 HA2 GLY 109 HA2 GLY 109 191.301 -4.740 9.974 821 HA3 GLY 109 HA3 GLY 109 191.292 -4.882 11.724 822 H THR 110 H THR 110 194.368 -4.363 10.254 823 HA THR 110 HA THR 110 194.142 -1.474 10.671 824 HB THR 110 HB THR 110 195.995 -1.281 12.052 825 HG1 THR 110 HG1 THR 110 197.414 -3.053 12.447 826 HG21 THR 110 HG21 THR 110 195.581 -2.525 13.985 827 HG22 THR 110 HG22 THR 110 194.960 -3.902 13.072 828 HG23 THR 110 HG23 THR 110 194.019 -2.415 13.175 829 HA PRO 111 HA PRO 111 196.282 -0.735 7.007 830 HB2 PRO 111 HB2 PRO 111 198.294 0.811 8.574 831 HB3 PRO 111 HB3 PRO 111 197.339 1.305 7.170 832 HG2 PRO 111 HG2 PRO 111 196.714 2.149 9.626 833 HG3 PRO 111 HG3 PRO 111 195.454 1.749 8.443 834 HD2 PRO 111 HD2 PRO 111 196.380 0.201 10.816 835 HD3 PRO 111 HD3 PRO 111 194.764 0.320 10.117 836 H ALA 112 H ALA 112 197.539 -1.997 5.881 837 HA ALA 112 HA ALA 112 199.474 -3.704 7.108 838 HB1 ALA 112 HB1 ALA 112 199.340 -3.486 4.162 839 HB2 ALA 112 HB2 ALA 112 197.890 -4.038 5.001 840 HB3 ALA 112 HB3 ALA 112 199.409 -4.916 5.192 841 H ASP 113 H ASP 113 201.445 -3.046 7.632 842 HA ASP 113 HA ASP 113 202.859 -1.249 5.771 843 HB2 ASP 113 HB2 ASP 113 202.077 -0.459 8.225 844 HB3 ASP 113 HB3 ASP 113 203.629 -1.183 8.636 845 H THR 114 H THR 114 205.068 -1.601 5.485 846 HA THR 114 HA THR 114 205.935 -4.309 6.158 847 HB THR 114 HB THR 114 207.708 -3.915 4.478 848 HG1 THR 114 HG1 THR 114 207.582 -1.993 3.244 849 HG21 THR 114 HG21 THR 114 206.032 -4.866 3.304 850 HG22 THR 114 HG22 THR 114 206.022 -3.282 2.526 851 HG23 THR 114 HG23 THR 114 204.850 -3.651 3.792 852 H SER 115 H SER 115 207.281 -1.007 6.187 853 HA SER 115 HA SER 115 208.636 -1.590 8.690 854 HB2 SER 115 HB2 SER 115 210.037 -1.232 6.088 855 HB3 SER 115 HB3 SER 115 210.742 -0.443 7.500 856 HG SER 115 HG SER 115 211.493 -2.622 7.120 857 H LEU 116 H LEU 116 208.405 0.100 9.995 858 HA LEU 116 HA LEU 116 208.848 2.780 9.223 859 HB2 LEU 116 HB2 LEU 116 206.278 1.824 8.613 860 HB3 LEU 116 HB3 LEU 116 206.084 2.808 10.052 861 HG LEU 116 HG LEU 116 207.746 4.169 8.119 862 HD11 LEU 116 HD11 LEU 116 205.526 4.545 6.682 863 HD12 LEU 116 HD12 LEU 116 205.298 2.854 7.120 864 HD13 LEU 116 HD13 LEU 116 206.754 3.353 6.259 865 HD21 LEU 116 HD21 LEU 116 206.254 4.953 10.127 866 HD22 LEU 116 HD22 LEU 116 205.000 5.033 8.889 867 HD23 LEU 116 HD23 LEU 116 206.476 5.983 8.712 868 H GLU 117 H GLU 117 210.128 2.778 11.062 869 HA GLU 117 HA GLU 117 210.641 3.101 13.253 870 HB2 GLU 117 HB2 GLU 117 207.695 3.720 13.533 871 HB3 GLU 117 HB3 GLU 117 208.955 4.144 14.684 872 HG2 GLU 117 HG2 GLU 117 208.648 5.193 11.882 873 HG3 GLU 117 HG3 GLU 117 208.356 6.073 13.380 874 HA PRO 118 HA PRO 118 209.315 -1.147 14.388 875 HB2 PRO 118 HB2 PRO 118 211.723 -1.881 15.404 876 HB3 PRO 118 HB3 PRO 118 211.346 -1.959 13.679 877 HG2 PRO 118 HG2 PRO 118 212.856 0.135 15.197 878 HG3 PRO 118 HG3 PRO 118 213.231 -0.596 13.624 879 HD2 PRO 118 HD2 PRO 118 212.073 1.839 13.857 880 HD3 PRO 118 HD3 PRO 118 211.732 0.747 12.501 Start of MODEL 20 1 H GLN 6 H GLN 6 163.054 14.650 7.590 2 HA GLN 6 HA GLN 6 162.914 11.728 7.428 3 HB2 GLN 6 HB2 GLN 6 162.468 13.676 5.593 4 HB3 GLN 6 HB3 GLN 6 164.198 13.444 5.387 5 HG2 GLN 6 HG2 GLN 6 163.610 10.938 5.235 6 HG3 GLN 6 HG3 GLN 6 161.970 11.509 4.930 7 HE21 GLN 6 HE21 GLN 6 161.986 10.683 2.838 8 HE22 GLN 6 HE22 GLN 6 162.883 11.426 1.563 9 H TYR 7 H TYR 7 164.708 10.538 7.706 10 HA TYR 7 HA TYR 7 167.025 11.783 8.874 11 HB2 TYR 7 HB2 TYR 7 166.150 9.627 9.675 12 HB3 TYR 7 HB3 TYR 7 166.549 8.886 8.139 13 HD1 TYR 7 HD1 TYR 7 168.221 10.910 10.806 14 HD2 TYR 7 HD2 TYR 7 168.491 7.648 8.088 15 HE1 TYR 7 HE1 TYR 7 170.449 10.363 11.692 16 HE2 TYR 7 HE2 TYR 7 170.720 7.094 8.965 17 HH TYR 7 HH TYR 7 171.874 7.871 11.681 18 H VAL 8 H VAL 8 169.217 10.890 8.123 19 HA VAL 8 HA VAL 8 169.381 11.229 5.197 20 HB VAL 8 HB VAL 8 171.559 11.896 7.168 21 HG11 VAL 8 HG11 VAL 8 171.191 12.196 4.226 22 HG12 VAL 8 HG12 VAL 8 172.607 11.671 5.137 23 HG13 VAL 8 HG13 VAL 8 172.167 13.379 5.097 24 HG21 VAL 8 HG21 VAL 8 169.742 13.361 7.686 25 HG22 VAL 8 HG22 VAL 8 169.442 13.681 5.978 26 HG23 VAL 8 HG23 VAL 8 170.915 14.277 6.742 27 H VAL 9 H VAL 9 171.187 10.166 4.125 28 HA VAL 9 HA VAL 9 171.413 7.440 4.909 29 HB VAL 9 HB VAL 9 171.372 8.122 2.549 30 HG11 VAL 9 HG11 VAL 9 174.089 8.861 2.163 31 HG12 VAL 9 HG12 VAL 9 173.396 9.923 3.387 32 HG13 VAL 9 HG13 VAL 9 172.633 9.787 1.803 33 HG21 VAL 9 HG21 VAL 9 173.077 6.613 1.754 34 HG22 VAL 9 HG22 VAL 9 172.381 5.970 3.240 35 HG23 VAL 9 HG23 VAL 9 173.960 6.752 3.273 36 HA PRO 10 HA PRO 10 175.042 7.652 7.461 37 HB2 PRO 10 HB2 PRO 10 175.679 4.916 6.615 38 HB3 PRO 10 HB3 PRO 10 175.227 5.517 8.209 39 HG2 PRO 10 HG2 PRO 10 173.574 3.987 6.736 40 HG3 PRO 10 HG3 PRO 10 172.974 5.259 7.817 41 HD2 PRO 10 HD2 PRO 10 173.317 5.303 4.843 42 HD3 PRO 10 HD3 PRO 10 171.989 5.942 5.835 43 H SER 11 H SER 11 177.441 6.812 7.319 44 HA SER 11 HA SER 11 178.451 7.583 4.672 45 HB2 SER 11 HB2 SER 11 178.956 9.009 6.745 46 HB3 SER 11 HB3 SER 11 180.018 7.693 7.238 47 HG SER 11 HG SER 11 181.385 8.821 6.063 48 H ALA 12 H ALA 12 179.367 6.038 3.497 49 HA ALA 12 HA ALA 12 180.028 3.492 4.691 50 HB1 ALA 12 HB1 ALA 12 180.844 3.284 2.105 51 HB2 ALA 12 HB2 ALA 12 179.601 4.530 1.985 52 HB3 ALA 12 HB3 ALA 12 179.207 2.956 2.675 53 H LYS 13 H LYS 13 181.912 3.102 5.611 54 HA LYS 13 HA LYS 13 184.283 4.596 4.721 55 HB2 LYS 13 HB2 LYS 13 183.645 4.716 7.134 56 HB3 LYS 13 HB3 LYS 13 183.914 2.982 7.251 57 HG2 LYS 13 HG2 LYS 13 186.151 3.200 7.307 58 HG3 LYS 13 HG3 LYS 13 186.156 4.528 6.146 59 HD2 LYS 13 HD2 LYS 13 184.955 5.163 8.754 60 HD3 LYS 13 HD3 LYS 13 186.680 4.795 8.798 61 HE2 LYS 13 HE2 LYS 13 187.036 6.464 7.004 62 HE3 LYS 13 HE3 LYS 13 185.324 6.876 7.089 63 HZ1 LYS 13 HZ1 LYS 13 186.921 8.328 8.381 64 HZ2 LYS 13 HZ2 LYS 13 187.091 7.035 9.457 65 HZ3 LYS 13 HZ3 LYS 13 185.575 7.751 9.229 66 H LEU 14 H LEU 14 185.174 3.475 3.074 67 HA LEU 14 HA LEU 14 185.353 0.574 3.204 68 HB2 LEU 14 HB2 LEU 14 186.466 2.284 1.008 69 HB3 LEU 14 HB3 LEU 14 185.926 0.618 0.932 70 HG LEU 14 HG LEU 14 183.598 1.773 1.581 71 HD11 LEU 14 HD11 LEU 14 184.311 3.826 -0.336 72 HD12 LEU 14 HD12 LEU 14 185.203 3.990 1.176 73 HD13 LEU 14 HD13 LEU 14 183.440 3.956 1.192 74 HD21 LEU 14 HD21 LEU 14 184.254 2.043 -1.278 75 HD22 LEU 14 HD22 LEU 14 182.957 1.150 -0.488 76 HD23 LEU 14 HD23 LEU 14 184.580 0.466 -0.561 77 H GLU 15 H GLU 15 187.439 -0.429 2.448 78 HA GLU 15 HA GLU 15 189.875 0.976 3.101 79 HB2 GLU 15 HB2 GLU 15 188.606 -0.947 4.959 80 HB3 GLU 15 HB3 GLU 15 190.329 -1.160 4.692 81 HG2 GLU 15 HG2 GLU 15 190.776 0.483 6.094 82 HG3 GLU 15 HG3 GLU 15 189.828 1.603 5.116 83 H ALA 16 H ALA 16 191.788 -0.213 2.470 84 HA ALA 16 HA ALA 16 191.229 -2.067 0.301 85 HB1 ALA 16 HB1 ALA 16 194.007 -1.784 0.602 86 HB2 ALA 16 HB2 ALA 16 193.305 -0.204 0.943 87 HB3 ALA 16 HB3 ALA 16 192.964 -1.008 -0.588 88 H ILE 17 H ILE 17 191.437 -4.203 0.364 89 HA ILE 17 HA ILE 17 192.767 -5.416 2.698 90 HB ILE 17 HB ILE 17 190.454 -6.428 1.033 91 HG12 ILE 17 HG12 ILE 17 189.247 -6.425 3.145 92 HG13 ILE 17 HG13 ILE 17 190.701 -5.945 4.011 93 HG21 ILE 17 HG21 ILE 17 190.557 -8.363 2.743 94 HG22 ILE 17 HG22 ILE 17 192.247 -7.891 2.927 95 HG23 ILE 17 HG23 ILE 17 191.639 -8.391 1.349 96 HD11 ILE 17 HD11 ILE 17 189.739 -4.179 1.836 97 HD12 ILE 17 HD12 ILE 17 190.541 -3.781 3.356 98 HD13 ILE 17 HD13 ILE 17 188.835 -4.218 3.346 99 H TYR 18 H TYR 18 194.677 -6.271 2.232 100 HA TYR 18 HA TYR 18 195.446 -6.891 -0.471 101 HB2 TYR 18 HB2 TYR 18 196.828 -6.086 1.735 102 HB3 TYR 18 HB3 TYR 18 197.187 -7.809 1.730 103 HD1 TYR 18 HD1 TYR 18 196.901 -5.144 -0.885 104 HD2 TYR 18 HD2 TYR 18 199.224 -8.295 0.779 105 HE1 TYR 18 HE1 TYR 18 198.624 -4.771 -2.600 106 HE2 TYR 18 HE2 TYR 18 200.953 -7.932 -0.931 107 HH TYR 18 HH TYR 18 200.554 -6.468 -3.670 108 HA PRO 19 HA PRO 19 196.684 -8.011 -1.582 109 HB2 PRO 19 HB2 PRO 19 196.898 -9.884 -3.468 110 HB3 PRO 19 HB3 PRO 19 197.854 -9.971 -1.985 111 HG2 PRO 19 HG2 PRO 19 195.473 -11.546 -2.794 112 HG3 PRO 19 HG3 PRO 19 196.836 -12.014 -1.766 113 HD2 PRO 19 HD2 PRO 19 194.266 -11.128 -0.927 114 HD3 PRO 19 HD3 PRO 19 195.680 -11.442 0.094 115 H ARG 20 H ARG 20 193.536 -9.187 -1.581 116 HA ARG 20 HA ARG 20 192.686 -7.334 -3.535 117 HB2 ARG 20 HB2 ARG 20 193.508 -9.261 -4.939 118 HB3 ARG 20 HB3 ARG 20 192.231 -10.234 -4.221 119 HG2 ARG 20 HG2 ARG 20 190.606 -8.500 -5.086 120 HG3 ARG 20 HG3 ARG 20 191.954 -7.848 -6.020 121 HD2 ARG 20 HD2 ARG 20 191.511 -10.761 -6.217 122 HD3 ARG 20 HD3 ARG 20 190.278 -9.734 -6.946 123 HE ARG 20 HE ARG 20 192.678 -8.745 -7.844 124 HH11 ARG 20 HH11 ARG 20 191.014 -11.809 -7.994 125 HH12 ARG 20 HH12 ARG 20 191.720 -12.260 -9.510 126 HH21 ARG 20 HH21 ARG 20 193.607 -9.337 -9.838 127 HH22 ARG 20 HH22 ARG 20 193.193 -10.856 -10.557 128 H GLY 21 H GLY 21 191.407 -6.604 -1.830 129 HA2 GLY 21 HA2 GLY 21 188.912 -8.038 -1.532 130 HA3 GLY 21 HA3 GLY 21 189.840 -7.877 -0.059 131 H LEU 22 H LEU 22 187.648 -6.790 0.396 132 HA LEU 22 HA LEU 22 188.116 -3.951 0.386 133 HB2 LEU 22 HB2 LEU 22 187.052 -3.976 -1.712 134 HB3 LEU 22 HB3 LEU 22 185.885 -5.182 -1.204 135 HG LEU 22 HG LEU 22 184.655 -3.587 0.073 136 HD11 LEU 22 HD11 LEU 22 187.162 -2.111 0.011 137 HD12 LEU 22 HD12 LEU 22 185.831 -2.042 1.166 138 HD13 LEU 22 HD13 LEU 22 185.757 -1.100 -0.322 139 HD21 LEU 22 HD21 LEU 22 184.322 -3.584 -2.382 140 HD22 LEU 22 HD22 LEU 22 185.462 -2.245 -2.502 141 HD23 LEU 22 HD23 LEU 22 183.947 -2.038 -1.623 142 H ARG 23 H ARG 23 187.355 -3.071 2.218 143 HA ARG 23 HA ARG 23 185.254 -4.514 3.688 144 HB2 ARG 23 HB2 ARG 23 187.527 -4.939 4.655 145 HB3 ARG 23 HB3 ARG 23 187.658 -3.217 4.976 146 HG2 ARG 23 HG2 ARG 23 185.324 -3.702 6.187 147 HG3 ARG 23 HG3 ARG 23 186.074 -5.289 6.354 148 HD2 ARG 23 HD2 ARG 23 187.935 -4.383 7.516 149 HD3 ARG 23 HD3 ARG 23 187.464 -2.733 7.116 150 HE ARG 23 HE ARG 23 186.025 -2.750 8.893 151 HH11 ARG 23 HH11 ARG 23 186.947 -6.035 8.163 152 HH12 ARG 23 HH12 ARG 23 186.181 -6.695 9.570 153 HH21 ARG 23 HH21 ARG 23 185.017 -3.615 10.743 154 HH22 ARG 23 HH22 ARG 23 185.086 -5.321 11.034 155 H VAL 24 H VAL 24 183.534 -3.220 3.832 156 HA VAL 24 HA VAL 24 183.993 -0.341 4.258 157 HB VAL 24 HB VAL 24 181.660 -1.545 2.783 158 HG11 VAL 24 HG11 VAL 24 181.571 0.941 2.003 159 HG12 VAL 24 HG12 VAL 24 182.489 1.237 3.479 160 HG13 VAL 24 HG13 VAL 24 180.897 0.484 3.567 161 HG21 VAL 24 HG21 VAL 24 184.235 -0.375 1.773 162 HG22 VAL 24 HG22 VAL 24 182.778 -0.440 0.781 163 HG23 VAL 24 HG23 VAL 24 183.505 -1.931 1.379 164 H SER 25 H SER 25 182.306 0.793 5.424 165 HA SER 25 HA SER 25 180.430 -0.806 6.961 166 HB2 SER 25 HB2 SER 25 182.017 1.012 8.667 167 HB3 SER 25 HB3 SER 25 181.371 -0.591 9.017 168 HG SER 25 HG SER 25 183.567 -0.802 8.920 169 H ILE 26 H ILE 26 178.696 0.364 7.755 170 HA ILE 26 HA ILE 26 178.689 3.272 7.291 171 HB ILE 26 HB ILE 26 176.379 3.081 6.357 172 HG12 ILE 26 HG12 ILE 26 176.562 0.424 5.331 173 HG13 ILE 26 HG13 ILE 26 176.754 0.351 7.078 174 HG21 ILE 26 HG21 ILE 26 177.180 2.161 4.106 175 HG22 ILE 26 HG22 ILE 26 178.735 1.930 4.905 176 HG23 ILE 26 HG23 ILE 26 178.036 3.546 4.781 177 HD11 ILE 26 HD11 ILE 26 174.403 0.147 6.123 178 HD12 ILE 26 HD12 ILE 26 174.514 1.880 5.813 179 HD13 ILE 26 HD13 ILE 26 174.646 1.268 7.462 180 HA PRO 27 HA PRO 27 176.945 3.101 11.419 181 HB2 PRO 27 HB2 PRO 27 176.006 5.696 11.441 182 HB3 PRO 27 HB3 PRO 27 177.659 5.225 11.842 183 HG2 PRO 27 HG2 PRO 27 176.568 6.327 9.293 184 HG3 PRO 27 HG3 PRO 27 178.116 6.658 10.089 185 HD2 PRO 27 HD2 PRO 27 177.924 5.025 7.954 186 HD3 PRO 27 HD3 PRO 27 179.101 4.745 9.253 187 H ASP 28 H ASP 28 175.191 1.788 11.319 188 HA ASP 28 HA ASP 28 172.904 2.254 9.732 189 HB2 ASP 28 HB2 ASP 28 173.443 0.012 10.453 190 HB3 ASP 28 HB3 ASP 28 173.312 0.480 12.142 191 H ASP 29 H ASP 29 170.742 2.626 10.459 192 HA ASP 29 HA ASP 29 170.425 4.052 12.983 193 HB2 ASP 29 HB2 ASP 29 170.836 5.514 10.718 194 HB3 ASP 29 HB3 ASP 29 169.081 5.357 10.698 195 H GLY 30 H GLY 30 169.598 1.522 12.447 196 HA2 GLY 30 HA2 GLY 30 167.746 0.215 12.742 197 HA3 GLY 30 HA3 GLY 30 166.821 1.691 12.905 198 H PHE 31 H PHE 31 168.739 0.473 10.186 199 HA PHE 31 HA PHE 31 166.506 1.000 8.404 200 HB2 PHE 31 HB2 PHE 31 169.177 -0.146 7.610 201 HB3 PHE 31 HB3 PHE 31 168.029 0.724 6.599 202 HD1 PHE 31 HD1 PHE 31 167.426 3.072 8.244 203 HD2 PHE 31 HD2 PHE 31 171.125 1.083 7.565 204 HE1 PHE 31 HE1 PHE 31 168.632 5.168 8.703 205 HE2 PHE 31 HE2 PHE 31 172.337 3.172 8.024 206 HZ PHE 31 HZ PHE 31 171.093 5.217 8.593 207 H SER 32 H SER 32 166.719 -0.750 6.464 208 HA SER 32 HA SER 32 166.416 -3.420 7.621 209 HB2 SER 32 HB2 SER 32 164.430 -1.908 5.942 210 HB3 SER 32 HB3 SER 32 164.462 -3.672 5.929 211 HG SER 32 HG SER 32 164.303 -3.490 8.290 212 H LEU 33 H LEU 33 167.270 -1.364 4.905 213 HA LEU 33 HA LEU 33 168.614 -3.704 3.744 214 HB2 LEU 33 HB2 LEU 33 166.339 -3.155 2.588 215 HB3 LEU 33 HB3 LEU 33 167.230 -1.822 1.897 216 HG LEU 33 HG LEU 33 168.909 -3.466 1.034 217 HD11 LEU 33 HD11 LEU 33 168.691 -5.694 1.266 218 HD12 LEU 33 HD12 LEU 33 166.928 -5.638 1.219 219 HD13 LEU 33 HD13 LEU 33 167.783 -5.238 2.709 220 HD21 LEU 33 HD21 LEU 33 166.667 -2.531 -0.100 221 HD22 LEU 33 HD22 LEU 33 166.350 -4.263 -0.194 222 HD23 LEU 33 HD23 LEU 33 167.808 -3.593 -0.927 223 H PHE 34 H PHE 34 170.601 -3.316 3.092 224 HA PHE 34 HA PHE 34 171.433 -0.532 2.646 225 HB2 PHE 34 HB2 PHE 34 172.369 -1.272 4.732 226 HB3 PHE 34 HB3 PHE 34 172.919 -2.771 4.010 227 HD1 PHE 34 HD1 PHE 34 173.228 0.753 2.857 228 HD2 PHE 34 HD2 PHE 34 175.222 -2.793 4.107 229 HE1 PHE 34 HE1 PHE 34 175.397 1.786 2.322 230 HE2 PHE 34 HE2 PHE 34 177.392 -1.765 3.576 231 HZ PHE 34 HZ PHE 34 177.482 0.528 2.681 232 H ALA 35 H ALA 35 171.514 -0.455 0.450 233 HA ALA 35 HA ALA 35 172.919 -2.610 -0.968 234 HB1 ALA 35 HB1 ALA 35 170.495 -1.522 -1.525 235 HB2 ALA 35 HB2 ALA 35 171.526 -2.325 -2.710 236 HB3 ALA 35 HB3 ALA 35 171.548 -0.567 -2.569 237 H PHE 36 H PHE 36 174.932 -2.253 -1.588 238 HA PHE 36 HA PHE 36 175.869 0.526 -1.792 239 HB2 PHE 36 HB2 PHE 36 177.024 -0.888 -0.132 240 HB3 PHE 36 HB3 PHE 36 177.464 -2.014 -1.409 241 HD1 PHE 36 HD1 PHE 36 178.865 -1.073 -3.353 242 HD2 PHE 36 HD2 PHE 36 178.442 0.858 0.415 243 HE1 PHE 36 HE1 PHE 36 180.923 0.204 -3.782 244 HE2 PHE 36 HE2 PHE 36 180.499 2.141 -0.007 245 HZ PHE 36 HZ PHE 36 181.742 1.814 -2.108 246 H HIS 37 H HIS 37 176.571 1.320 -3.671 247 HA HIS 37 HA HIS 37 177.059 -0.513 -5.913 248 HB2 HIS 37 HB2 HIS 37 175.015 1.453 -5.607 249 HB3 HIS 37 HB3 HIS 37 176.142 2.012 -6.826 250 HD1 HIS 37 HD1 HIS 37 173.123 0.899 -7.209 251 HD2 HIS 37 HD2 HIS 37 176.671 -1.070 -8.097 252 HE1 HIS 37 HE1 HIS 37 172.510 -0.856 -8.900 253 HE2 HIS 37 HE2 HIS 37 174.647 -2.129 -9.306 254 H GLY 38 H GLY 38 179.145 -0.237 -6.690 255 HA2 GLY 38 HA2 GLY 38 180.216 2.489 -6.711 256 HA3 GLY 38 HA3 GLY 38 181.050 1.355 -5.667 257 H LYS 39 H LYS 39 181.948 2.858 -8.033 258 HA LYS 39 HA LYS 39 182.801 0.577 -9.687 259 HB2 LYS 39 HB2 LYS 39 181.410 2.809 -10.536 260 HB3 LYS 39 HB3 LYS 39 183.077 3.210 -10.925 261 HG2 LYS 39 HG2 LYS 39 182.003 0.541 -11.700 262 HG3 LYS 39 HG3 LYS 39 181.573 1.964 -12.650 263 HD2 LYS 39 HD2 LYS 39 184.021 2.463 -12.843 264 HD3 LYS 39 HD3 LYS 39 184.338 0.902 -12.083 265 HE2 LYS 39 HE2 LYS 39 182.949 -0.130 -13.923 266 HE3 LYS 39 HE3 LYS 39 182.993 1.441 -14.720 267 HZ1 LYS 39 HZ1 LYS 39 184.796 -0.459 -15.137 268 HZ2 LYS 39 HZ2 LYS 39 185.559 0.373 -13.876 269 HZ3 LYS 39 HZ3 LYS 39 185.140 1.191 -15.296 270 H LEU 40 H LEU 40 184.961 0.443 -10.248 271 HA LEU 40 HA LEU 40 186.765 1.985 -8.546 272 HB2 LEU 40 HB2 LEU 40 186.849 -0.526 -8.657 273 HB3 LEU 40 HB3 LEU 40 187.404 -0.375 -10.312 274 HG LEU 40 HG LEU 40 189.301 1.084 -9.270 275 HD11 LEU 40 HD11 LEU 40 188.649 -0.635 -6.891 276 HD12 LEU 40 HD12 LEU 40 188.156 1.054 -7.013 277 HD13 LEU 40 HD13 LEU 40 189.868 0.632 -7.025 278 HD21 LEU 40 HD21 LEU 40 189.574 -1.790 -8.565 279 HD22 LEU 40 HD22 LEU 40 190.677 -0.730 -9.440 280 HD23 LEU 40 HD23 LEU 40 189.245 -1.371 -10.245 281 H ASN 41 H ASN 41 187.714 3.736 -9.336 282 HA ASN 41 HA ASN 41 188.757 5.189 -10.745 283 HB2 ASN 41 HB2 ASN 41 189.963 2.941 -11.360 284 HB3 ASN 41 HB3 ASN 41 189.032 3.067 -12.849 285 HD21 ASN 41 HD21 ASN 41 190.929 3.311 -14.046 286 HD22 ASN 41 HD22 ASN 41 191.813 4.797 -14.055 287 H GLU 42 H GLU 42 186.398 5.879 -10.785 288 HA GLU 42 HA GLU 42 185.712 6.810 -13.303 289 HB2 GLU 42 HB2 GLU 42 185.093 4.482 -13.800 290 HB3 GLU 42 HB3 GLU 42 184.024 4.464 -12.403 291 HG2 GLU 42 HG2 GLU 42 182.647 6.191 -13.418 292 HG3 GLU 42 HG3 GLU 42 183.727 6.246 -14.811 293 H GLU 43 H GLU 43 184.995 8.680 -12.612 294 HA GLU 43 HA GLU 43 183.809 9.091 -10.079 295 HB2 GLU 43 HB2 GLU 43 183.718 11.044 -12.361 296 HB3 GLU 43 HB3 GLU 43 183.712 11.392 -10.634 297 HG2 GLU 43 HG2 GLU 43 185.969 10.647 -10.420 298 HG3 GLU 43 HG3 GLU 43 185.988 10.101 -12.091 299 H MET 44 H MET 44 182.398 7.264 -11.699 300 HA MET 44 HA MET 44 180.307 6.626 -12.283 301 HB2 MET 44 HB2 MET 44 179.921 8.523 -10.017 302 HB3 MET 44 HB3 MET 44 178.501 7.916 -10.859 303 HG2 MET 44 HG2 MET 44 179.972 5.641 -10.434 304 HG3 MET 44 HG3 MET 44 180.277 6.585 -8.978 305 HE1 MET 44 HE1 MET 44 177.297 3.708 -8.692 306 HE2 MET 44 HE2 MET 44 179.054 3.850 -8.747 307 HE3 MET 44 HE3 MET 44 178.124 3.828 -10.245 308 H ASP 45 H ASP 45 178.508 7.063 -13.521 309 HA ASP 45 HA ASP 45 178.141 9.774 -14.535 310 HB2 ASP 45 HB2 ASP 45 179.749 8.568 -16.016 311 HB3 ASP 45 HB3 ASP 45 178.507 7.367 -16.327 312 H GLY 46 H GLY 46 176.373 9.003 -12.869 313 HA2 GLY 46 HA2 GLY 46 174.019 9.027 -12.939 314 HA3 GLY 46 HA3 GLY 46 174.108 8.148 -14.452 315 H LEU 47 H LEU 47 173.092 7.783 -11.441 316 HA LEU 47 HA LEU 47 174.137 5.650 -10.198 317 HB2 LEU 47 HB2 LEU 47 171.190 6.007 -10.724 318 HB3 LEU 47 HB3 LEU 47 171.909 5.107 -9.406 319 HG LEU 47 HG LEU 47 172.654 7.968 -9.633 320 HD11 LEU 47 HD11 LEU 47 170.028 7.452 -9.911 321 HD12 LEU 47 HD12 LEU 47 170.663 8.866 -9.072 322 HD13 LEU 47 HD13 LEU 47 170.158 7.448 -8.154 323 HD21 LEU 47 HD21 LEU 47 172.845 7.832 -7.300 324 HD22 LEU 47 HD22 LEU 47 173.461 6.289 -7.895 325 HD23 LEU 47 HD23 LEU 47 171.836 6.387 -7.215 326 H GLU 48 H GLU 48 175.106 4.076 -11.371 327 HA GLU 48 HA GLU 48 173.344 2.401 -13.038 328 HB2 GLU 48 HB2 GLU 48 176.208 3.217 -13.447 329 HB3 GLU 48 HB3 GLU 48 175.560 1.767 -14.202 330 HG2 GLU 48 HG2 GLU 48 174.182 4.400 -14.529 331 HG3 GLU 48 HG3 GLU 48 175.577 3.979 -15.521 332 H ALA 49 H ALA 49 174.658 0.191 -13.410 333 HA ALA 49 HA ALA 49 174.493 -1.176 -10.995 334 HB1 ALA 49 HB1 ALA 49 176.052 -2.294 -13.272 335 HB2 ALA 49 HB2 ALA 49 174.321 -2.010 -13.452 336 HB3 ALA 49 HB3 ALA 49 174.910 -3.094 -12.190 337 H GLY 50 H GLY 50 177.100 0.600 -12.348 338 HA2 GLY 50 HA2 GLY 50 179.332 0.784 -11.815 339 HA3 GLY 50 HA3 GLY 50 178.737 0.620 -10.171 340 H HIS 51 H HIS 51 180.196 -0.665 -9.222 341 HA HIS 51 HA HIS 51 180.726 -3.263 -10.484 342 HB2 HIS 51 HB2 HIS 51 182.574 -1.302 -9.434 343 HB3 HIS 51 HB3 HIS 51 182.748 -2.836 -8.591 344 HD1 HIS 51 HD1 HIS 51 184.421 -4.303 -9.644 345 HD2 HIS 51 HD2 HIS 51 182.556 -1.852 -12.435 346 HE1 HIS 51 HE1 HIS 51 185.498 -4.854 -11.848 347 HE2 HIS 51 HE2 HIS 51 184.417 -3.295 -13.506 348 H TRP 52 H TRP 52 181.321 -1.995 -7.229 349 HA TRP 52 HA TRP 52 180.394 -4.375 -5.987 350 HB2 TRP 52 HB2 TRP 52 180.877 -1.611 -4.847 351 HB3 TRP 52 HB3 TRP 52 180.565 -3.053 -3.882 352 HD1 TRP 52 HD1 TRP 52 182.452 -5.090 -4.222 353 HE1 TRP 52 HE1 TRP 52 184.994 -4.869 -4.502 354 HE3 TRP 52 HE3 TRP 52 182.688 -0.193 -5.667 355 HZ2 TRP 52 HZ2 TRP 52 186.863 -2.878 -5.232 356 HZ3 TRP 52 HZ3 TRP 52 184.894 0.794 -6.138 357 HH2 TRP 52 HH2 TRP 52 186.936 -0.523 -5.923 358 H ALA 53 H ALA 53 178.346 -4.722 -6.851 359 HA ALA 53 HA ALA 53 176.239 -2.894 -5.897 360 HB1 ALA 53 HB1 ALA 53 176.005 -4.711 -8.282 361 HB2 ALA 53 HB2 ALA 53 176.555 -3.039 -8.392 362 HB3 ALA 53 HB3 ALA 53 174.930 -3.396 -7.806 363 H ARG 54 H ARG 54 175.989 -4.036 -3.901 364 HA ARG 54 HA ARG 54 174.466 -6.508 -4.224 365 HB2 ARG 54 HB2 ARG 54 176.815 -7.107 -3.785 366 HB3 ARG 54 HB3 ARG 54 176.753 -6.210 -2.283 367 HG2 ARG 54 HG2 ARG 54 174.594 -7.921 -2.098 368 HG3 ARG 54 HG3 ARG 54 175.839 -8.895 -2.882 369 HD2 ARG 54 HD2 ARG 54 177.411 -8.275 -1.082 370 HD3 ARG 54 HD3 ARG 54 176.113 -7.384 -0.286 371 HE ARG 54 HE ARG 54 175.476 -10.138 -0.808 372 HH11 ARG 54 HH11 ARG 54 176.969 -7.919 1.434 373 HH12 ARG 54 HH12 ARG 54 176.764 -8.965 2.799 374 HH21 ARG 54 HH21 ARG 54 175.208 -11.515 0.986 375 HH22 ARG 54 HH22 ARG 54 175.766 -11.006 2.546 376 H ASP 55 H ASP 55 172.667 -6.507 -3.060 377 HA ASP 55 HA ASP 55 172.193 -4.387 -1.138 378 HB2 ASP 55 HB2 ASP 55 169.858 -5.380 -1.160 379 HB3 ASP 55 HB3 ASP 55 170.421 -4.699 -2.680 380 H ILE 56 H ILE 56 171.981 -4.638 1.021 381 HA ILE 56 HA ILE 56 172.182 -7.379 2.093 382 HB ILE 56 HB ILE 56 173.303 -4.915 3.425 383 HG12 ILE 56 HG12 ILE 56 175.340 -6.722 2.532 384 HG13 ILE 56 HG13 ILE 56 174.327 -6.291 1.158 385 HG21 ILE 56 HG21 ILE 56 173.260 -6.329 5.165 386 HG22 ILE 56 HG22 ILE 56 174.659 -7.069 4.390 387 HG23 ILE 56 HG23 ILE 56 173.052 -7.746 4.136 388 HD11 ILE 56 HD11 ILE 56 175.554 -4.458 0.979 389 HD12 ILE 56 HD12 ILE 56 176.321 -4.737 2.542 390 HD13 ILE 56 HD13 ILE 56 174.776 -3.888 2.456 391 H THR 57 H THR 57 171.083 -7.801 4.066 392 HA THR 57 HA THR 57 169.203 -5.745 4.975 393 HB THR 57 HB THR 57 168.008 -7.126 3.320 394 HG1 THR 57 HG1 THR 57 166.984 -6.322 5.302 395 HG21 THR 57 HG21 THR 57 169.123 -9.234 3.482 396 HG22 THR 57 HG22 THR 57 167.424 -9.456 3.900 397 HG23 THR 57 HG23 THR 57 168.646 -9.408 5.171 398 H LYS 58 H LYS 58 171.666 -7.092 6.039 399 HA LYS 58 HA LYS 58 170.558 -7.730 8.660 400 HB2 LYS 58 HB2 LYS 58 172.404 -9.563 7.127 401 HB3 LYS 58 HB3 LYS 58 172.104 -9.703 8.852 402 HG2 LYS 58 HG2 LYS 58 169.990 -10.513 8.563 403 HG3 LYS 58 HG3 LYS 58 169.767 -9.690 7.019 404 HD2 LYS 58 HD2 LYS 58 171.816 -11.845 7.221 405 HD3 LYS 58 HD3 LYS 58 170.112 -12.295 7.127 406 HE2 LYS 58 HE2 LYS 58 171.071 -12.264 4.908 407 HE3 LYS 58 HE3 LYS 58 169.901 -10.955 5.068 408 HZ1 LYS 58 HZ1 LYS 58 172.822 -10.586 5.418 409 HZ2 LYS 58 HZ2 LYS 58 171.642 -9.382 5.290 410 HZ3 LYS 58 HZ3 LYS 58 172.021 -10.338 3.948 411 HA PRO 59 HA PRO 59 174.009 -4.722 9.101 412 HB2 PRO 59 HB2 PRO 59 172.852 -4.804 11.846 413 HB3 PRO 59 HB3 PRO 59 173.324 -3.408 10.867 414 HG2 PRO 59 HG2 PRO 59 170.755 -4.038 11.181 415 HG3 PRO 59 HG3 PRO 59 171.363 -3.467 9.616 416 HD2 PRO 59 HD2 PRO 59 170.651 -6.237 10.481 417 HD3 PRO 59 HD3 PRO 59 170.427 -5.454 8.903 418 H LYS 60 H LYS 60 175.466 -4.541 11.257 419 HA LYS 60 HA LYS 60 176.344 -7.293 11.875 420 HB2 LYS 60 HB2 LYS 60 177.778 -5.233 10.611 421 HB3 LYS 60 HB3 LYS 60 178.428 -5.323 12.242 422 HG2 LYS 60 HG2 LYS 60 178.073 -7.845 10.705 423 HG3 LYS 60 HG3 LYS 60 179.418 -6.776 10.299 424 HD2 LYS 60 HD2 LYS 60 180.541 -7.783 11.945 425 HD3 LYS 60 HD3 LYS 60 179.498 -6.898 13.059 426 HE2 LYS 60 HE2 LYS 60 179.467 -9.227 13.650 427 HE3 LYS 60 HE3 LYS 60 177.895 -8.789 12.983 428 HZ1 LYS 60 HZ1 LYS 60 179.995 -9.960 11.271 429 HZ2 LYS 60 HZ2 LYS 60 178.322 -9.927 11.024 430 HZ3 LYS 60 HZ3 LYS 60 178.983 -10.947 12.201 431 H GLU 61 H GLU 61 176.311 -3.960 13.045 432 HA GLU 61 HA GLU 61 175.286 -4.526 15.558 433 HB2 GLU 61 HB2 GLU 61 177.695 -5.546 15.673 434 HB3 GLU 61 HB3 GLU 61 178.198 -3.869 15.837 435 HG2 GLU 61 HG2 GLU 61 176.588 -3.705 17.770 436 HG3 GLU 61 HG3 GLU 61 176.437 -5.459 17.675 437 H GLY 62 H GLY 62 174.110 -2.754 14.786 438 HA2 GLY 62 HA2 GLY 62 173.572 -0.512 14.890 439 HA3 GLY 62 HA3 GLY 62 175.128 -0.223 15.665 440 H ARG 63 H ARG 63 175.799 -1.993 12.995 441 HA ARG 63 HA ARG 63 175.680 0.075 10.996 442 HB2 ARG 63 HB2 ARG 63 178.230 -0.031 10.679 443 HB3 ARG 63 HB3 ARG 63 177.603 0.974 11.979 444 HG2 ARG 63 HG2 ARG 63 178.018 -1.606 13.048 445 HG3 ARG 63 HG3 ARG 63 179.454 -1.183 12.116 446 HD2 ARG 63 HD2 ARG 63 178.200 0.652 14.146 447 HD3 ARG 63 HD3 ARG 63 179.481 -0.495 14.541 448 HE ARG 63 HE ARG 63 179.753 1.993 13.125 449 HH11 ARG 63 HH11 ARG 63 181.156 -1.152 13.684 450 HH12 ARG 63 HH12 ARG 63 182.756 -0.655 13.246 451 HH21 ARG 63 HH21 ARG 63 181.855 2.649 12.545 452 HH22 ARG 63 HH22 ARG 63 183.154 1.503 12.598 453 H TRP 64 H TRP 64 176.155 -0.698 8.896 454 HA TRP 64 HA TRP 64 176.049 -3.588 8.684 455 HB2 TRP 64 HB2 TRP 64 175.896 -1.514 6.497 456 HB3 TRP 64 HB3 TRP 64 175.476 -3.209 6.374 457 HD1 TRP 64 HD1 TRP 64 174.305 -0.287 8.653 458 HE1 TRP 64 HE1 TRP 64 171.745 -0.415 8.832 459 HE3 TRP 64 HE3 TRP 64 173.475 -4.418 5.754 460 HZ2 TRP 64 HZ2 TRP 64 169.649 -2.029 7.874 461 HZ3 TRP 64 HZ3 TRP 64 171.159 -5.186 5.443 462 HH2 TRP 64 HH2 TRP 64 169.281 -4.016 6.484 463 H THR 65 H THR 65 177.409 -4.675 7.070 464 HA THR 65 HA THR 65 180.012 -3.374 6.673 465 HB THR 65 HB THR 65 179.616 -6.190 7.701 466 HG1 THR 65 HG1 THR 65 179.386 -4.960 9.445 467 HG21 THR 65 HG21 THR 65 181.625 -5.816 6.223 468 HG22 THR 65 HG22 THR 65 181.948 -6.415 7.851 469 HG23 THR 65 HG23 THR 65 182.215 -4.715 7.466 470 H PHE 66 H PHE 66 180.445 -3.336 4.591 471 HA PHE 66 HA PHE 66 179.415 -5.487 2.868 472 HB2 PHE 66 HB2 PHE 66 178.754 -3.096 2.379 473 HB3 PHE 66 HB3 PHE 66 180.442 -2.782 1.998 474 HD1 PHE 66 HD1 PHE 66 181.485 -4.488 0.249 475 HD2 PHE 66 HD2 PHE 66 177.341 -3.612 0.659 476 HE1 PHE 66 HE1 PHE 66 181.102 -5.241 -2.061 477 HE2 PHE 66 HE2 PHE 66 176.951 -4.362 -1.650 478 HZ PHE 66 HZ PHE 66 178.832 -5.179 -3.014 479 H ARG 67 H ARG 67 181.012 -7.017 3.050 480 HA ARG 67 HA ARG 67 183.768 -6.193 2.498 481 HB2 ARG 67 HB2 ARG 67 182.570 -8.649 3.750 482 HB3 ARG 67 HB3 ARG 67 184.239 -8.626 3.196 483 HG2 ARG 67 HG2 ARG 67 184.785 -6.859 4.719 484 HG3 ARG 67 HG3 ARG 67 183.093 -6.679 5.185 485 HD2 ARG 67 HD2 ARG 67 184.737 -9.173 5.607 486 HD3 ARG 67 HD3 ARG 67 184.450 -7.941 6.836 487 HE ARG 67 HE ARG 67 181.993 -8.860 5.784 488 HH11 ARG 67 HH11 ARG 67 184.602 -9.848 7.881 489 HH12 ARG 67 HH12 ARG 67 183.610 -10.909 8.824 490 HH21 ARG 67 HH21 ARG 67 180.686 -10.254 7.023 491 HH22 ARG 67 HH22 ARG 67 181.387 -11.139 8.337 492 H ASP 68 H ASP 68 184.925 -6.933 0.788 493 HA ASP 68 HA ASP 68 183.671 -8.852 -1.039 494 HB2 ASP 68 HB2 ASP 68 183.599 -6.152 -1.553 495 HB3 ASP 68 HB3 ASP 68 185.048 -6.657 -2.416 496 H ARG 69 H ARG 69 185.100 -10.477 -0.954 497 HA ARG 69 HA ARG 69 187.952 -9.935 -0.793 498 HB2 ARG 69 HB2 ARG 69 186.267 -12.410 -0.575 499 HB3 ARG 69 HB3 ARG 69 188.008 -12.529 -0.793 500 HG2 ARG 69 HG2 ARG 69 188.332 -11.181 1.240 501 HG3 ARG 69 HG3 ARG 69 186.582 -11.149 1.471 502 HD2 ARG 69 HD2 ARG 69 186.789 -13.037 2.628 503 HD3 ARG 69 HD3 ARG 69 187.202 -13.840 1.113 504 HE ARG 69 HE ARG 69 189.440 -12.569 2.393 505 HH11 ARG 69 HH11 ARG 69 187.509 -15.472 2.233 506 HH12 ARG 69 HH12 ARG 69 188.766 -16.492 2.847 507 HH21 ARG 69 HH21 ARG 69 191.095 -13.909 3.201 508 HH22 ARG 69 HH22 ARG 69 190.801 -15.605 3.398 509 H ASN 70 H ASN 70 186.301 -9.422 -3.283 510 HA ASN 70 HA ASN 70 188.132 -10.774 -5.119 511 HB2 ASN 70 HB2 ASN 70 185.470 -11.573 -4.839 512 HB3 ASN 70 HB3 ASN 70 185.481 -10.575 -6.288 513 HD21 ASN 70 HD21 ASN 70 187.638 -12.974 -4.805 514 HD22 ASN 70 HD22 ASN 70 187.859 -13.911 -6.239 515 H ALA 71 H ALA 71 188.181 -8.115 -4.174 516 HA ALA 71 HA ALA 71 187.250 -6.560 -6.487 517 HB1 ALA 71 HB1 ALA 71 186.929 -6.039 -3.838 518 HB2 ALA 71 HB2 ALA 71 186.876 -4.826 -5.116 519 HB3 ALA 71 HB3 ALA 71 188.366 -5.086 -4.211 520 H LYS 72 H LYS 72 188.708 -6.208 -8.016 521 HA LYS 72 HA LYS 72 191.510 -6.575 -7.583 522 HB2 LYS 72 HB2 LYS 72 190.439 -7.128 -9.727 523 HB3 LYS 72 HB3 LYS 72 190.043 -5.432 -9.968 524 HG2 LYS 72 HG2 LYS 72 192.524 -4.970 -9.872 525 HG3 LYS 72 HG3 LYS 72 192.757 -6.716 -9.966 526 HD2 LYS 72 HD2 LYS 72 191.419 -6.716 -12.067 527 HD3 LYS 72 HD3 LYS 72 191.383 -4.952 -11.989 528 HE2 LYS 72 HE2 LYS 72 194.051 -6.162 -11.751 529 HE3 LYS 72 HE3 LYS 72 193.262 -6.397 -13.309 530 HZ1 LYS 72 HZ1 LYS 72 192.918 -3.727 -12.538 531 HZ2 LYS 72 HZ2 LYS 72 193.796 -4.334 -13.849 532 HZ3 LYS 72 HZ3 LYS 72 194.557 -4.111 -12.356 533 H LEU 73 H LEU 73 191.728 -4.973 -5.848 534 HA LEU 73 HA LEU 73 191.712 -2.187 -6.742 535 HB2 LEU 73 HB2 LEU 73 192.393 -3.106 -3.969 536 HB3 LEU 73 HB3 LEU 73 191.766 -1.553 -4.487 537 HG LEU 73 HG LEU 73 190.246 -4.156 -4.351 538 HD11 LEU 73 HD11 LEU 73 190.499 -3.201 -2.183 539 HD12 LEU 73 HD12 LEU 73 188.861 -2.846 -2.732 540 HD13 LEU 73 HD13 LEU 73 190.099 -1.591 -2.781 541 HD21 LEU 73 HD21 LEU 73 188.641 -1.813 -4.839 542 HD22 LEU 73 HD22 LEU 73 188.705 -3.336 -5.723 543 HD23 LEU 73 HD23 LEU 73 189.827 -2.040 -6.124 544 H LYS 74 H LYS 74 193.521 -0.950 -6.912 545 HA LYS 74 HA LYS 74 196.096 -2.178 -6.220 546 HB2 LYS 74 HB2 LYS 74 195.359 -2.286 -8.745 547 HB3 LYS 74 HB3 LYS 74 195.862 -0.602 -8.753 548 HG2 LYS 74 HG2 LYS 74 197.764 -2.518 -7.572 549 HG3 LYS 74 HG3 LYS 74 197.503 -2.641 -9.312 550 HD2 LYS 74 HD2 LYS 74 197.869 -0.098 -9.342 551 HD3 LYS 74 HD3 LYS 74 198.540 -0.314 -7.723 552 HE2 LYS 74 HE2 LYS 74 200.448 -0.522 -8.959 553 HE3 LYS 74 HE3 LYS 74 199.927 -2.206 -8.931 554 HZ1 LYS 74 HZ1 LYS 74 198.906 -1.886 -11.100 555 HZ2 LYS 74 HZ2 LYS 74 200.555 -1.516 -11.157 556 HZ3 LYS 74 HZ3 LYS 74 199.410 -0.271 -11.125 557 H LEU 75 H LEU 75 197.804 -0.705 -5.856 558 HA LEU 75 HA LEU 75 197.147 1.555 -4.392 559 HB2 LEU 75 HB2 LEU 75 199.466 0.135 -5.038 560 HB3 LEU 75 HB3 LEU 75 199.781 1.763 -5.603 561 HG LEU 75 HG LEU 75 200.567 1.235 -3.270 562 HD11 LEU 75 HD11 LEU 75 199.352 3.396 -2.359 563 HD12 LEU 75 HD12 LEU 75 198.861 3.533 -4.048 564 HD13 LEU 75 HD13 LEU 75 200.574 3.479 -3.629 565 HD21 LEU 75 HD21 LEU 75 199.171 0.370 -1.782 566 HD22 LEU 75 HD22 LEU 75 197.886 0.373 -2.988 567 HD23 LEU 75 HD23 LEU 75 198.109 1.767 -1.936 568 H GLY 76 H GLY 76 196.949 3.689 -4.798 569 HA2 GLY 76 HA2 GLY 76 197.172 5.674 -6.045 570 HA3 GLY 76 HA3 GLY 76 197.587 4.712 -7.453 571 H ASP 77 H ASP 77 195.280 2.920 -7.055 572 HA ASP 77 HA ASP 77 193.465 4.183 -8.728 573 HB2 ASP 77 HB2 ASP 77 193.688 1.719 -8.427 574 HB3 ASP 77 HB3 ASP 77 192.882 1.875 -6.869 575 H LYS 78 H LYS 78 191.200 4.690 -8.306 576 HA LYS 78 HA LYS 78 190.770 5.805 -5.606 577 HB2 LYS 78 HB2 LYS 78 191.261 7.480 -7.483 578 HB3 LYS 78 HB3 LYS 78 189.696 7.032 -8.146 579 HG2 LYS 78 HG2 LYS 78 188.555 8.177 -6.583 580 HG3 LYS 78 HG3 LYS 78 189.697 7.772 -5.299 581 HD2 LYS 78 HD2 LYS 78 191.278 9.379 -6.664 582 HD3 LYS 78 HD3 LYS 78 189.744 10.022 -7.253 583 HE2 LYS 78 HE2 LYS 78 189.129 10.036 -4.705 584 HE3 LYS 78 HE3 LYS 78 190.879 10.031 -4.493 585 HZ1 LYS 78 HZ1 LYS 78 189.936 12.277 -4.533 586 HZ2 LYS 78 HZ2 LYS 78 189.375 12.018 -6.108 587 HZ3 LYS 78 HZ3 LYS 78 191.037 12.034 -5.794 588 H ILE 79 H ILE 79 188.506 6.041 -5.005 589 HA ILE 79 HA ILE 79 186.812 4.027 -6.319 590 HB ILE 79 HB ILE 79 187.411 4.459 -3.476 591 HG12 ILE 79 HG12 ILE 79 186.901 2.042 -3.415 592 HG13 ILE 79 HG13 ILE 79 186.352 2.127 -5.085 593 HG21 ILE 79 HG21 ILE 79 185.194 3.635 -2.730 594 HG22 ILE 79 HG22 ILE 79 184.589 3.867 -4.370 595 HG23 ILE 79 HG23 ILE 79 185.128 5.254 -3.425 596 HD11 ILE 79 HD11 ILE 79 188.549 2.623 -5.858 597 HD12 ILE 79 HD12 ILE 79 188.648 1.221 -4.792 598 HD13 ILE 79 HD13 ILE 79 189.144 2.809 -4.209 599 H TYR 80 H TYR 80 184.654 4.400 -6.615 600 HA TYR 80 HA TYR 80 183.513 6.962 -5.819 601 HB2 TYR 80 HB2 TYR 80 183.681 6.036 -8.694 602 HB3 TYR 80 HB3 TYR 80 182.676 7.371 -8.138 603 HD1 TYR 80 HD1 TYR 80 183.701 9.468 -7.386 604 HD2 TYR 80 HD2 TYR 80 186.072 6.276 -8.898 605 HE1 TYR 80 HE1 TYR 80 185.598 11.011 -7.651 606 HE2 TYR 80 HE2 TYR 80 187.975 7.808 -9.166 607 HH TYR 80 HH TYR 80 188.022 10.939 -7.807 608 H PHE 81 H PHE 81 181.457 6.610 -5.082 609 HA PHE 81 HA PHE 81 179.803 4.579 -6.307 610 HB2 PHE 81 HB2 PHE 81 179.514 3.327 -4.149 611 HB3 PHE 81 HB3 PHE 81 181.082 3.138 -4.895 612 HD1 PHE 81 HD1 PHE 81 182.910 4.862 -4.054 613 HD2 PHE 81 HD2 PHE 81 179.384 3.799 -1.924 614 HE1 PHE 81 HE1 PHE 81 183.953 5.615 -1.953 615 HE2 PHE 81 HE2 PHE 81 180.419 4.552 0.176 616 HZ PHE 81 HZ PHE 81 182.706 5.461 0.163 617 H TRP 82 H TRP 82 177.978 4.069 -4.590 618 HA TRP 82 HA TRP 82 177.063 6.343 -3.089 619 HB2 TRP 82 HB2 TRP 82 174.937 6.617 -4.278 620 HB3 TRP 82 HB3 TRP 82 176.295 6.990 -5.327 621 HD1 TRP 82 HD1 TRP 82 177.016 4.761 -6.987 622 HE1 TRP 82 HE1 TRP 82 175.389 3.300 -8.350 623 HE3 TRP 82 HE3 TRP 82 172.703 5.724 -4.414 624 HZ2 TRP 82 HZ2 TRP 82 172.648 2.644 -8.336 625 HZ3 TRP 82 HZ3 TRP 82 170.622 4.637 -5.153 626 HH2 TRP 82 HH2 TRP 82 170.597 3.129 -7.073 627 H THR 83 H THR 83 175.835 5.655 -1.392 628 HA THR 83 HA THR 83 175.309 2.762 -1.327 629 HB THR 83 HB THR 83 174.915 3.301 1.178 630 HG1 THR 83 HG1 THR 83 176.056 5.178 1.834 631 HG21 THR 83 HG21 THR 83 177.731 3.848 0.367 632 HG22 THR 83 HG22 THR 83 177.010 2.266 0.064 633 HG23 THR 83 HG23 THR 83 177.113 2.887 1.712 634 H TYR 84 H TYR 84 173.321 2.023 -0.176 635 HA TYR 84 HA TYR 84 171.081 3.889 -0.356 636 HB2 TYR 84 HB2 TYR 84 171.269 2.730 -2.539 637 HB3 TYR 84 HB3 TYR 84 171.142 1.187 -1.702 638 HD1 TYR 84 HD1 TYR 84 169.204 4.303 -1.092 639 HD2 TYR 84 HD2 TYR 84 169.134 0.301 -2.535 640 HE1 TYR 84 HE1 TYR 84 166.757 4.424 -1.290 641 HE2 TYR 84 HE2 TYR 84 166.687 0.411 -2.738 642 HH TYR 84 HH TYR 84 164.822 1.631 -1.943 643 H VAL 85 H VAL 85 169.853 3.702 1.426 644 HA VAL 85 HA VAL 85 169.901 1.123 2.856 645 HB VAL 85 HB VAL 85 170.590 2.145 4.713 646 HG11 VAL 85 HG11 VAL 85 171.411 4.374 4.713 647 HG12 VAL 85 HG12 VAL 85 170.361 4.828 3.373 648 HG13 VAL 85 HG13 VAL 85 171.696 3.706 3.107 649 HG21 VAL 85 HG21 VAL 85 168.322 2.485 5.385 650 HG22 VAL 85 HG22 VAL 85 168.184 3.937 4.394 651 HG23 VAL 85 HG23 VAL 85 169.232 3.933 5.811 652 H ILE 86 H ILE 86 167.926 0.819 4.282 653 HA ILE 86 HA ILE 86 165.523 2.137 3.246 654 HB ILE 86 HB ILE 86 165.700 -0.865 3.479 655 HG12 ILE 86 HG12 ILE 86 167.065 -0.002 1.612 656 HG13 ILE 86 HG13 ILE 86 165.680 -0.943 1.065 657 HG21 ILE 86 HG21 ILE 86 163.520 -0.868 2.439 658 HG22 ILE 86 HG22 ILE 86 163.557 0.888 2.284 659 HG23 ILE 86 HG23 ILE 86 163.483 0.146 3.882 660 HD11 ILE 86 HD11 ILE 86 164.910 1.776 1.220 661 HD12 ILE 86 HD12 ILE 86 165.019 0.727 -0.192 662 HD13 ILE 86 HD13 ILE 86 166.422 1.661 0.324 663 H LYS 87 H LYS 87 164.796 3.034 5.061 664 HA LYS 87 HA LYS 87 164.765 1.450 7.533 665 HB2 LYS 87 HB2 LYS 87 165.814 3.799 7.409 666 HB3 LYS 87 HB3 LYS 87 164.161 4.394 7.330 667 HG2 LYS 87 HG2 LYS 87 164.461 2.524 9.497 668 HG3 LYS 87 HG3 LYS 87 165.654 3.819 9.614 669 HD2 LYS 87 HD2 LYS 87 163.780 5.453 9.305 670 HD3 LYS 87 HD3 LYS 87 162.657 4.096 9.429 671 HE2 LYS 87 HE2 LYS 87 162.767 5.048 11.585 672 HE3 LYS 87 HE3 LYS 87 163.735 3.576 11.654 673 HZ1 LYS 87 HZ1 LYS 87 165.725 4.844 11.524 674 HZ2 LYS 87 HZ2 LYS 87 164.768 5.547 12.729 675 HZ3 LYS 87 HZ3 LYS 87 164.881 6.275 11.207 676 H ASP 88 H ASP 88 162.931 0.334 6.241 677 HA ASP 88 HA ASP 88 160.721 -0.217 6.204 678 HB2 ASP 88 HB2 ASP 88 160.847 0.563 8.618 679 HB3 ASP 88 HB3 ASP 88 160.225 2.114 8.060 680 H GLY 89 H GLY 89 161.227 0.798 3.975 681 HA2 GLY 89 HA2 GLY 89 160.277 1.858 2.164 682 HA3 GLY 89 HA3 GLY 89 158.943 2.322 3.211 683 H LEU 90 H LEU 90 162.247 3.136 3.962 684 HA LEU 90 HA LEU 90 161.913 5.861 2.956 685 HB2 LEU 90 HB2 LEU 90 162.835 5.462 5.781 686 HB3 LEU 90 HB3 LEU 90 162.240 6.924 5.012 687 HG LEU 90 HG LEU 90 160.504 4.529 5.553 688 HD11 LEU 90 HD11 LEU 90 160.906 5.111 7.718 689 HD12 LEU 90 HD12 LEU 90 159.627 6.269 7.353 690 HD13 LEU 90 HD13 LEU 90 161.315 6.778 7.311 691 HD21 LEU 90 HD21 LEU 90 158.777 5.742 4.744 692 HD22 LEU 90 HD22 LEU 90 160.066 6.547 3.845 693 HD23 LEU 90 HD23 LEU 90 159.437 7.272 5.326 694 H GLY 91 H GLY 91 163.501 4.839 1.524 695 HA2 GLY 91 HA2 GLY 91 166.054 4.184 2.572 696 HA3 GLY 91 HA3 GLY 91 165.626 4.251 0.880 697 H TYR 92 H TYR 92 168.042 5.074 1.815 698 HA TYR 92 HA TYR 92 168.091 7.837 0.927 699 HB2 TYR 92 HB2 TYR 92 169.449 7.125 3.532 700 HB3 TYR 92 HB3 TYR 92 169.273 8.720 2.810 701 HD1 TYR 92 HD1 TYR 92 166.946 9.727 2.673 702 HD2 TYR 92 HD2 TYR 92 167.830 6.288 5.017 703 HE1 TYR 92 HE1 TYR 92 164.891 10.091 3.970 704 HE2 TYR 92 HE2 TYR 92 165.776 6.643 6.320 705 HH TYR 92 HH TYR 92 164.274 8.637 6.887 706 H ARG 93 H ARG 93 170.090 8.342 -0.088 707 HA ARG 93 HA ARG 93 172.033 6.143 -0.050 708 HB2 ARG 93 HB2 ARG 93 172.477 6.534 -2.425 709 HB3 ARG 93 HB3 ARG 93 170.799 6.071 -2.134 710 HG2 ARG 93 HG2 ARG 93 170.084 8.367 -2.380 711 HG3 ARG 93 HG3 ARG 93 171.758 8.893 -2.563 712 HD2 ARG 93 HD2 ARG 93 171.882 8.189 -4.706 713 HD3 ARG 93 HD3 ARG 93 170.885 6.767 -4.404 714 HE ARG 93 HE ARG 93 169.014 7.983 -4.973 715 HH11 ARG 93 HH11 ARG 93 171.750 10.131 -4.669 716 HH12 ARG 93 HH12 ARG 93 170.926 11.479 -5.379 717 HH21 ARG 93 HH21 ARG 93 167.933 9.754 -5.906 718 HH22 ARG 93 HH22 ARG 93 168.760 11.265 -6.079 719 H GLN 94 H GLN 94 174.147 6.589 -0.128 720 HA GLN 94 HA GLN 94 174.895 9.394 0.289 721 HB2 GLN 94 HB2 GLN 94 175.519 7.484 1.951 722 HB3 GLN 94 HB3 GLN 94 176.729 7.058 0.749 723 HG2 GLN 94 HG2 GLN 94 177.230 9.675 0.958 724 HG3 GLN 94 HG3 GLN 94 176.603 9.366 2.574 725 HE21 GLN 94 HE21 GLN 94 179.293 10.093 1.757 726 HE22 GLN 94 HE22 GLN 94 180.331 8.828 2.316 727 H ASP 95 H ASP 95 174.596 9.676 -2.023 728 HA ASP 95 HA ASP 95 176.352 8.325 -3.843 729 HB2 ASP 95 HB2 ASP 95 175.455 9.948 -5.509 730 HB3 ASP 95 HB3 ASP 95 174.208 9.055 -4.649 731 H ASN 96 H ASN 96 177.576 9.788 -5.455 732 HA ASN 96 HA ASN 96 179.414 11.056 -5.854 733 HB2 ASN 96 HB2 ASN 96 177.881 12.901 -5.340 734 HB3 ASN 96 HB3 ASN 96 178.265 12.750 -3.631 735 HD21 ASN 96 HD21 ASN 96 178.839 15.010 -3.817 736 HD22 ASN 96 HD22 ASN 96 180.411 15.441 -4.389 737 H GLY 97 H GLY 97 179.315 8.970 -3.584 738 HA2 GLY 97 HA2 GLY 97 181.357 9.910 -1.764 739 HA3 GLY 97 HA3 GLY 97 180.664 8.299 -1.803 740 H GLU 98 H GLU 98 183.377 8.807 -1.455 741 HA GLU 98 HA GLU 98 184.433 7.262 -3.659 742 HB2 GLU 98 HB2 GLU 98 186.314 8.824 -4.079 743 HB3 GLU 98 HB3 GLU 98 184.752 9.484 -4.543 744 HG2 GLU 98 HG2 GLU 98 185.723 10.098 -1.817 745 HG3 GLU 98 HG3 GLU 98 186.554 10.869 -3.169 746 H TRP 99 H TRP 99 186.649 6.531 -3.272 747 HA TRP 99 HA TRP 99 187.646 6.783 -0.560 748 HB2 TRP 99 HB2 TRP 99 186.119 4.909 -0.342 749 HB3 TRP 99 HB3 TRP 99 186.842 4.117 -1.733 750 HD1 TRP 99 HD1 TRP 99 187.816 5.166 1.863 751 HE1 TRP 99 HE1 TRP 99 189.607 3.517 2.702 752 HE3 TRP 99 HE3 TRP 99 188.442 2.429 -2.392 753 HZ2 TRP 99 HZ2 TRP 99 191.092 1.344 1.677 754 HZ3 TRP 99 HZ3 TRP 99 190.059 0.580 -2.389 755 HH2 TRP 99 HH2 TRP 99 191.352 0.050 -0.396 756 H THR 100 H THR 100 189.809 5.629 -0.353 757 HA THR 100 HA THR 100 191.265 5.970 -2.892 758 HB THR 100 HB THR 100 191.738 7.460 -0.882 759 HG1 THR 100 HG1 THR 100 193.248 7.296 -2.533 760 HG21 THR 100 HG21 THR 100 192.074 4.978 0.441 761 HG22 THR 100 HG22 THR 100 192.307 6.608 1.080 762 HG23 THR 100 HG23 THR 100 193.658 5.752 0.340 763 H VAL 101 H VAL 101 193.069 4.644 -3.357 764 HA VAL 101 HA VAL 101 193.033 2.007 -2.029 765 HB VAL 101 HB VAL 101 193.926 2.397 -4.879 766 HG11 VAL 101 HG11 VAL 101 193.128 -0.086 -4.836 767 HG12 VAL 101 HG12 VAL 101 193.293 0.088 -3.089 768 HG13 VAL 101 HG13 VAL 101 194.688 0.350 -4.137 769 HG21 VAL 101 HG21 VAL 101 191.636 1.415 -5.454 770 HG22 VAL 101 HG22 VAL 101 191.680 3.116 -4.999 771 HG23 VAL 101 HG23 VAL 101 191.143 1.909 -3.835 772 H THR 102 H THR 102 194.705 4.723 -2.061 773 HA THR 102 HA THR 102 197.343 3.920 -2.730 774 HB THR 102 HB THR 102 196.521 6.168 -0.892 775 HG1 THR 102 HG1 THR 102 195.436 6.466 -2.800 776 HG21 THR 102 HG21 THR 102 198.630 6.805 -0.882 777 HG22 THR 102 HG22 THR 102 198.690 6.766 -2.645 778 HG23 THR 102 HG23 THR 102 199.057 5.311 -1.717 779 H GLU 103 H GLU 103 195.388 3.108 -0.118 780 HA GLU 103 HA GLU 103 197.760 2.384 1.476 781 HB2 GLU 103 HB2 GLU 103 196.260 2.563 3.487 782 HB3 GLU 103 HB3 GLU 103 196.617 4.092 2.696 783 HG2 GLU 103 HG2 GLU 103 194.479 4.347 1.910 784 HG3 GLU 103 HG3 GLU 103 194.146 2.617 1.939 785 H PHE 104 H PHE 104 197.375 0.485 2.928 786 HA PHE 104 HA PHE 104 195.343 -1.349 1.889 787 HB2 PHE 104 HB2 PHE 104 198.309 -1.767 1.905 788 HB3 PHE 104 HB3 PHE 104 197.247 -3.149 2.152 789 HD1 PHE 104 HD1 PHE 104 195.265 -3.297 0.384 790 HD2 PHE 104 HD2 PHE 104 198.971 -1.302 -0.240 791 HE1 PHE 104 HE1 PHE 104 194.958 -3.500 -2.049 792 HE2 PHE 104 HE2 PHE 104 198.673 -1.501 -2.676 793 HZ PHE 104 HZ PHE 104 196.664 -2.600 -3.585 794 H VAL 105 H VAL 105 194.194 -2.120 3.535 795 HA VAL 105 HA VAL 105 195.386 -2.007 6.195 796 HB VAL 105 HB VAL 105 193.186 -2.080 7.136 797 HG11 VAL 105 HG11 VAL 105 192.646 0.032 6.614 798 HG12 VAL 105 HG12 VAL 105 192.495 -0.318 4.891 799 HG13 VAL 105 HG13 VAL 105 194.085 -0.031 5.597 800 HG21 VAL 105 HG21 VAL 105 192.393 -3.753 5.287 801 HG22 VAL 105 HG22 VAL 105 191.879 -2.291 4.452 802 HG23 VAL 105 HG23 VAL 105 191.232 -2.667 6.048 803 H ASN 106 H ASN 106 193.882 -3.842 7.550 804 HA ASN 106 HA ASN 106 194.872 -6.379 6.434 805 HB2 ASN 106 HB2 ASN 106 195.594 -5.311 8.767 806 HB3 ASN 106 HB3 ASN 106 194.126 -6.125 9.299 807 HD21 ASN 106 HD21 ASN 106 194.766 -7.860 10.353 808 HD22 ASN 106 HD22 ASN 106 195.885 -9.039 9.770 809 H GLU 107 H GLU 107 193.583 -8.192 6.413 810 HA GLU 107 HA GLU 107 190.850 -7.858 5.988 811 HB2 GLU 107 HB2 GLU 107 192.640 -10.184 6.480 812 HB3 GLU 107 HB3 GLU 107 190.916 -10.448 6.711 813 HG2 GLU 107 HG2 GLU 107 190.546 -9.564 4.412 814 HG3 GLU 107 HG3 GLU 107 192.296 -9.519 4.205 815 H ASP 108 H ASP 108 192.684 -7.951 8.862 816 HA ASP 108 HA ASP 108 190.702 -8.873 10.677 817 HB2 ASP 108 HB2 ASP 108 193.167 -8.740 11.157 818 HB3 ASP 108 HB3 ASP 108 192.998 -6.991 11.261 819 H GLY 109 H GLY 109 191.391 -5.804 9.157 820 HA2 GLY 109 HA2 GLY 109 189.428 -4.335 8.945 821 HA3 GLY 109 HA3 GLY 109 189.110 -4.654 10.639 822 H THR 110 H THR 110 192.414 -4.129 9.651 823 HA THR 110 HA THR 110 192.228 -1.307 10.329 824 HB THR 110 HB THR 110 193.698 -1.278 12.103 825 HG1 THR 110 HG1 THR 110 194.464 -3.869 11.272 826 HG21 THR 110 HG21 THR 110 192.528 -3.942 12.750 827 HG22 THR 110 HG22 THR 110 191.478 -2.536 12.571 828 HG23 THR 110 HG23 THR 110 192.760 -2.532 13.782 829 HA PRO 111 HA PRO 111 195.123 -0.525 7.236 830 HB2 PRO 111 HB2 PRO 111 196.467 1.344 9.104 831 HB3 PRO 111 HB3 PRO 111 195.746 1.656 7.522 832 HG2 PRO 111 HG2 PRO 111 194.537 2.450 9.769 833 HG3 PRO 111 HG3 PRO 111 193.606 1.844 8.387 834 HD2 PRO 111 HD2 PRO 111 194.318 0.460 10.941 835 HD3 PRO 111 HD3 PRO 111 192.816 0.397 10.018 836 H ALA 112 H ALA 112 196.051 -2.740 7.659 837 HA ALA 112 HA ALA 112 198.885 -2.460 8.023 838 HB1 ALA 112 HB1 ALA 112 197.178 -3.669 10.093 839 HB2 ALA 112 HB2 ALA 112 198.777 -2.934 10.227 840 HB3 ALA 112 HB3 ALA 112 198.614 -4.596 9.655 841 H ASP 113 H ASP 113 199.773 -3.584 6.438 842 HA ASP 113 HA ASP 113 198.481 -6.085 5.574 843 HB2 ASP 113 HB2 ASP 113 198.136 -4.299 3.911 844 HB3 ASP 113 HB3 ASP 113 199.878 -4.057 3.815 845 H THR 114 H THR 114 199.863 -7.335 6.860 846 HA THR 114 HA THR 114 202.734 -7.143 6.369 847 HB THR 114 HB THR 114 201.666 -9.254 8.150 848 HG1 THR 114 HG1 THR 114 201.456 -6.496 8.764 849 HG21 THR 114 HG21 THR 114 203.559 -8.956 9.346 850 HG22 THR 114 HG22 THR 114 203.609 -7.218 9.050 851 HG23 THR 114 HG23 THR 114 204.128 -8.340 7.794 852 H SER 115 H SER 115 202.882 -7.939 4.263 853 HA SER 115 HA SER 115 202.467 -10.841 4.043 854 HB2 SER 115 HB2 SER 115 202.100 -10.173 1.486 855 HB3 SER 115 HB3 SER 115 200.763 -10.219 2.637 856 HG SER 115 HG SER 115 200.854 -8.017 2.824 857 H LEU 116 H LEU 116 204.854 -9.955 4.844 858 HA LEU 116 HA LEU 116 206.541 -10.491 2.517 859 HB2 LEU 116 HB2 LEU 116 206.290 -7.942 3.267 860 HB3 LEU 116 HB3 LEU 116 207.524 -8.427 4.416 861 HG LEU 116 HG LEU 116 207.932 -9.048 1.523 862 HD11 LEU 116 HD11 LEU 116 207.839 -6.354 2.734 863 HD12 LEU 116 HD12 LEU 116 207.576 -6.862 1.066 864 HD13 LEU 116 HD13 LEU 116 209.217 -6.710 1.692 865 HD21 LEU 116 HD21 LEU 116 209.712 -9.896 2.633 866 HD22 LEU 116 HD22 LEU 116 209.541 -8.782 3.988 867 HD23 LEU 116 HD23 LEU 116 210.294 -8.238 2.488 868 H GLU 117 H GLU 117 206.737 -12.572 3.484 869 HA GLU 117 HA GLU 117 208.587 -12.600 5.775 870 HB2 GLU 117 HB2 GLU 117 206.092 -14.162 5.321 871 HB3 GLU 117 HB3 GLU 117 207.436 -14.975 6.111 872 HG2 GLU 117 HG2 GLU 117 206.288 -12.362 7.050 873 HG3 GLU 117 HG3 GLU 117 205.764 -13.935 7.647 874 HA PRO 118 HA PRO 118 211.221 -14.973 3.142 875 HB2 PRO 118 HB2 PRO 118 212.718 -16.276 4.985 876 HB3 PRO 118 HB3 PRO 118 212.890 -14.545 4.668 877 HG2 PRO 118 HG2 PRO 118 211.403 -15.929 6.869 878 HG3 PRO 118 HG3 PRO 118 212.450 -14.500 6.952 879 HD2 PRO 118 HD2 PRO 118 209.742 -14.337 6.913 880 HD3 PRO 118 HD3 PRO 118 210.790 -13.086 6.214
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