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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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609356 |
5lmy ![]() ![]() |
34029 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H21 MYR 1 1H2 MYR 1 116.049 8.391 -0.229 2 H22 MYR 1 2H2 MYR 1 115.497 9.312 0.994 3 H31 MYR 1 1H3 MYR 1 113.730 10.046 -0.626 4 H32 MYR 1 2H3 MYR 1 114.146 8.723 -1.478 5 H41 MYR 1 1H4 MYR 1 113.095 7.381 -0.105 6 H42 MYR 1 2H4 MYR 1 113.690 8.129 1.212 7 H51 MYR 1 1H5 MYR 1 111.991 9.905 0.685 8 H52 MYR 1 2H5 MYR 1 111.255 8.737 -0.189 9 H61 MYR 1 1H6 MYR 1 111.912 8.406 2.597 10 H62 MYR 1 2H6 MYR 1 110.451 8.931 2.102 11 H71 MYR 1 1H7 MYR 1 110.480 6.746 0.799 12 H72 MYR 1 2H7 MYR 1 111.511 6.302 1.981 13 H81 MYR 1 1H8 MYR 1 109.339 7.343 3.210 14 H82 MYR 1 2H8 MYR 1 108.780 6.322 2.070 15 H91 MYR 1 1H9 MYR 1 110.724 4.983 3.409 16 H92 MYR 1 2H9 MYR 1 109.773 5.668 4.539 17 H101 MYR 1 1H10 MYR 1 107.870 4.601 3.581 18 H102 MYR 1 2H10 MYR 1 108.824 3.896 2.465 19 H111 MYR 1 1H11 MYR 1 109.895 2.614 4.135 20 H112 MYR 1 2H11 MYR 1 109.048 3.367 5.302 21 H121 MYR 1 1H12 MYR 1 107.475 1.869 5.120 22 H122 MYR 1 2H12 MYR 1 107.217 2.325 3.580 23 H131 MYR 1 1H13 MYR 1 108.470 0.660 2.735 24 H132 MYR 1 2H13 MYR 1 109.384 0.530 4.075 25 H141 MYR 1 1H14 MYR 1 106.717 -0.505 3.724 26 H142 MYR 1 2H14 MYR 1 108.072 -1.368 4.039 27 H143 MYR 1 3H14 MYR 1 107.426 -0.414 5.196 28 H GLY 2 HN GLY 2 117.842 9.137 -0.525 29 HA2 GLY 2 HA2 GLY 2 119.444 10.740 0.004 30 HA3 GLY 2 HA1 GLY 2 118.213 11.988 -0.170 31 H GLN 3 HN GLN 3 118.653 13.063 1.748 32 HA GLN 3 HA GLN 3 119.090 11.879 4.253 33 HB2 GLN 3 HB2 GLN 3 118.006 14.583 3.464 34 HB3 GLN 3 HB1 GLN 3 118.280 14.129 5.146 35 HG2 GLN 3 HG2 GLN 3 120.644 13.650 4.638 36 HG3 GLN 3 HG1 GLN 3 120.375 14.089 2.952 37 HE21 GLN 3 HE21 GLN 3 121.789 15.340 5.587 38 HE22 GLN 3 HE22 GLN 3 121.421 16.986 5.399 39 H GLU 4 HN GLU 4 116.239 12.248 2.409 40 HA GLU 4 HA GLU 4 114.217 12.337 4.297 41 HB2 GLU 4 HB2 GLU 4 114.328 10.873 1.661 42 HB3 GLU 4 HB1 GLU 4 112.861 11.041 2.621 43 HG2 GLU 4 HG2 GLU 4 113.065 13.494 2.523 44 HG3 GLU 4 HG1 GLU 4 114.545 13.337 1.578 45 H LEU 5 HN LEU 5 116.520 9.897 3.757 46 HA LEU 5 HA LEU 5 115.373 7.495 4.316 47 HB2 LEU 5 HB2 LEU 5 117.843 7.947 4.057 48 HB3 LEU 5 HB1 LEU 5 117.859 8.491 5.733 49 HG LEU 5 HG LEU 5 116.932 6.266 6.415 50 HD11 LEU 5 HD11 LEU 5 115.900 5.248 4.620 51 HD12 LEU 5 HD12 LEU 5 117.485 4.488 4.494 52 HD13 LEU 5 HD13 LEU 5 117.077 5.854 3.457 53 HD21 LEU 5 HD21 LEU 5 119.595 6.821 5.327 54 HD22 LEU 5 HD22 LEU 5 119.210 5.100 5.350 55 HD23 LEU 5 HD23 LEU 5 119.139 6.039 6.840 56 H SER 6 HN SER 6 115.710 10.196 6.488 57 HA SER 6 HA SER 6 115.314 8.998 8.969 58 HB2 SER 6 HB2 SER 6 114.365 11.174 9.675 59 HB3 SER 6 HB1 SER 6 115.840 11.378 8.734 60 HG SER 6 HG SER 6 114.618 11.927 6.971 61 H GLN 7 HN GLN 7 113.101 9.553 6.351 62 HA GLN 7 HA GLN 7 110.647 9.350 7.671 63 HB2 GLN 7 HB2 GLN 7 111.509 8.561 4.887 64 HB3 GLN 7 HB1 GLN 7 109.843 8.392 5.440 65 HG2 GLN 7 HG2 GLN 7 109.761 10.789 5.970 66 HG3 GLN 7 HG1 GLN 7 111.437 10.970 5.454 67 HE21 GLN 7 HE21 GLN 7 111.273 12.147 3.522 68 HE22 GLN 7 HE22 GLN 7 110.297 11.695 2.208 69 H HIS 8 HN HIS 8 112.744 6.790 6.295 70 HA HIS 8 HA HIS 8 111.098 4.618 6.853 71 HB2 HIS 8 HB2 HIS 8 114.078 4.952 6.669 72 HB3 HIS 8 HB1 HIS 8 113.361 3.386 7.049 73 HD1 HIS 8 HD1 HIS 8 112.260 2.101 5.158 74 HD2 HIS 8 HD2 HIS 8 113.334 5.971 4.040 75 HE1 HIS 8 HE1 HIS 8 111.916 2.245 2.653 76 HE2 HIS 8 HE2 HIS 8 112.566 4.598 1.956 77 H GLU 9 HN GLU 9 113.671 6.070 8.831 78 HA GLU 9 HA GLU 9 113.580 4.401 11.033 79 HB2 GLU 9 HB2 GLU 9 115.159 6.301 10.787 80 HB3 GLU 9 HB1 GLU 9 113.839 7.419 11.126 81 HG2 GLU 9 HG2 GLU 9 113.531 6.435 13.343 82 HG3 GLU 9 HG1 GLU 9 114.778 5.234 13.010 83 H ARG 10 HN ARG 10 111.410 7.049 10.224 84 HA ARG 10 HA ARG 10 109.859 6.848 12.652 85 HB2 ARG 10 HB2 ARG 10 109.138 8.193 10.042 86 HB3 ARG 10 HB1 ARG 10 108.352 8.424 11.601 87 HG2 ARG 10 HG2 ARG 10 110.348 9.356 12.575 88 HG3 ARG 10 HG1 ARG 10 111.297 8.958 11.142 89 HD2 ARG 10 HD2 ARG 10 110.733 11.312 11.060 90 HD3 ARG 10 HD1 ARG 10 109.822 10.471 9.810 91 HE ARG 10 HE ARG 10 108.395 10.733 12.312 92 HH11 ARG 10 HH11 ARG 10 106.566 12.080 12.247 93 HH12 ARG 10 HH12 ARG 10 106.332 13.150 10.905 94 HH21 ARG 10 HH21 ARG 10 109.236 12.175 9.281 95 HH22 ARG 10 HH22 ARG 10 107.845 13.204 9.226 96 H TYR 11 HN TYR 11 109.397 5.887 9.279 97 HA TYR 11 HA TYR 11 106.845 4.792 9.464 98 HB2 TYR 11 HB2 TYR 11 107.972 5.012 7.317 99 HB3 TYR 11 HB1 TYR 11 109.182 3.833 7.810 100 HD1 TYR 11 HD1 TYR 11 108.706 1.463 7.865 101 HD2 TYR 11 HD2 TYR 11 105.647 4.305 6.862 102 HE1 TYR 11 HE1 TYR 11 107.254 -0.380 7.064 103 HE2 TYR 11 HE2 TYR 11 104.194 2.457 6.075 104 HH TYR 11 HH TYR 11 105.384 -0.859 5.862 105 H VAL 12 HN VAL 12 109.972 3.213 10.103 106 HA VAL 12 HA VAL 12 108.924 0.641 10.671 107 HB VAL 12 HB VAL 12 111.416 2.092 11.540 108 HG11 VAL 12 HG11 VAL 12 112.120 -0.307 12.227 109 HG12 VAL 12 HG12 VAL 12 110.390 -0.632 12.317 110 HG13 VAL 12 HG13 VAL 12 111.107 0.605 13.348 111 HG21 VAL 12 HG21 VAL 12 112.482 0.618 9.978 112 HG22 VAL 12 HG22 VAL 12 111.067 1.280 9.162 113 HG23 VAL 12 HG23 VAL 12 111.024 -0.360 9.813 114 H GLU 13 HN GLU 13 109.789 3.295 12.900 115 HA GLU 13 HA GLU 13 108.833 1.943 15.220 116 HB2 GLU 13 HB2 GLU 13 109.294 4.892 14.727 117 HB3 GLU 13 HB1 GLU 13 109.013 4.162 16.307 118 HG2 GLU 13 HG2 GLU 13 111.281 3.399 14.445 119 HG3 GLU 13 HG1 GLU 13 111.440 4.498 15.814 120 H GLN 14 HN GLN 14 107.382 4.305 13.061 121 HA GLN 14 HA GLN 14 104.983 4.673 14.545 122 HB2 GLN 14 HB2 GLN 14 105.890 6.270 12.832 123 HB3 GLN 14 HB1 GLN 14 105.434 5.108 11.584 124 HG2 GLN 14 HG2 GLN 14 103.648 6.766 11.801 125 HG3 GLN 14 HG1 GLN 14 103.063 5.220 12.434 126 HE21 GLN 14 HE21 GLN 14 101.585 6.102 14.012 127 HE22 GLN 14 HE22 GLN 14 102.113 7.021 15.338 128 H LEU 15 HN LEU 15 105.251 3.314 11.296 129 HA LEU 15 HA LEU 15 102.882 2.052 11.039 130 HB2 LEU 15 HB2 LEU 15 105.076 1.919 9.544 131 HB3 LEU 15 HB1 LEU 15 105.272 0.374 10.361 132 HG LEU 15 HG LEU 15 104.055 -0.003 8.289 133 HD11 LEU 15 HD11 LEU 15 103.333 -1.139 10.454 134 HD12 LEU 15 HD12 LEU 15 102.175 -1.153 9.124 135 HD13 LEU 15 HD13 LEU 15 101.977 -0.014 10.451 136 HD21 LEU 15 HD21 LEU 15 103.056 2.552 8.711 137 HD22 LEU 15 HD22 LEU 15 101.657 1.525 8.977 138 HD23 LEU 15 HD23 LEU 15 102.528 1.443 7.449 139 H LYS 16 HN LYS 16 105.691 0.622 12.734 140 HA LYS 16 HA LYS 16 104.369 -1.724 13.545 141 HB2 LYS 16 HB2 LYS 16 106.721 -0.217 14.674 142 HB3 LYS 16 HB1 LYS 16 106.140 -1.703 15.403 143 HG2 LYS 16 HG2 LYS 16 106.365 -2.832 13.184 144 HG3 LYS 16 HG1 LYS 16 107.075 -1.350 12.551 145 HD2 LYS 16 HD2 LYS 16 108.933 -1.488 14.062 146 HD3 LYS 16 HD1 LYS 16 108.201 -2.834 14.938 147 HE2 LYS 16 HE2 LYS 16 108.233 -3.929 12.487 148 HE3 LYS 16 HE1 LYS 16 109.580 -2.809 12.297 149 HZ1 LYS 16 HZ1 LYS 16 110.663 -4.551 13.217 150 HZ2 LYS 16 HZ2 LYS 16 109.303 -5.099 14.071 151 HZ3 LYS 16 HZ3 LYS 16 110.187 -3.770 14.645 152 H GLN 17 HN GLN 17 104.603 1.444 15.081 153 HA GLN 17 HA GLN 17 103.264 0.713 17.486 154 HB2 GLN 17 HB2 GLN 17 103.884 3.309 16.108 155 HB3 GLN 17 HB1 GLN 17 102.790 3.305 17.488 156 HG2 GLN 17 HG2 GLN 17 104.472 2.328 18.910 157 HG3 GLN 17 HG1 GLN 17 105.537 2.025 17.543 158 HE21 GLN 17 HE21 GLN 17 107.286 3.433 17.973 159 HE22 GLN 17 HE22 GLN 17 107.115 5.104 18.214 160 H ALA 18 HN ALA 18 102.092 2.564 14.687 161 HA ALA 18 HA ALA 18 99.401 2.656 15.319 162 HB1 ALA 18 HB1 ALA 18 100.115 2.246 12.455 163 HB2 ALA 18 HB2 ALA 18 100.816 3.639 13.280 164 HB3 ALA 18 HB3 ALA 18 99.065 3.453 13.197 165 H LEU 19 HN LEU 19 101.298 0.029 14.569 166 HA LEU 19 HA LEU 19 99.129 -1.666 13.567 167 HB2 LEU 19 HB2 LEU 19 102.038 -1.880 13.697 168 HB3 LEU 19 HB1 LEU 19 101.245 -3.372 14.198 169 HG LEU 19 HG LEU 19 100.564 -1.866 11.660 170 HD11 LEU 19 HD11 LEU 19 101.934 -3.354 10.455 171 HD12 LEU 19 HD12 LEU 19 102.054 -4.477 11.810 172 HD13 LEU 19 HD13 LEU 19 102.924 -2.947 11.856 173 HD21 LEU 19 HD21 LEU 19 99.283 -3.979 13.110 174 HD22 LEU 19 HD22 LEU 19 99.924 -4.651 11.611 175 HD23 LEU 19 HD23 LEU 19 98.816 -3.282 11.559 176 H LYS 20 HN LYS 20 101.212 -1.569 16.442 177 HA LYS 20 HA LYS 20 100.208 -3.649 17.884 178 HB2 LYS 20 HB2 LYS 20 102.019 -2.121 18.646 179 HB3 LYS 20 HB1 LYS 20 100.795 -0.911 19.033 180 HG2 LYS 20 HG2 LYS 20 99.737 -2.473 20.618 181 HG3 LYS 20 HG1 LYS 20 100.942 -3.699 20.220 182 HD2 LYS 20 HD2 LYS 20 102.735 -2.209 21.021 183 HD3 LYS 20 HD1 LYS 20 101.535 -0.979 21.423 184 HE2 LYS 20 HE2 LYS 20 100.469 -2.524 23.014 185 HE3 LYS 20 HE1 LYS 20 101.649 -3.770 22.607 186 HZ1 LYS 20 HZ1 LYS 20 102.368 -1.098 23.676 187 HZ2 LYS 20 HZ2 LYS 20 103.399 -2.431 23.462 188 HZ3 LYS 20 HZ3 LYS 20 102.178 -2.478 24.643 189 H THR 21 HN THR 21 98.681 -0.581 17.215 190 HA THR 21 HA THR 21 96.596 -0.705 19.107 191 HB THR 21 HB THR 21 97.282 1.211 17.486 192 HG1 THR 21 HG1 THR 21 94.724 0.465 18.345 193 HG21 THR 21 HG21 THR 21 96.725 -0.396 15.511 194 HG22 THR 21 HG22 THR 21 96.266 1.298 15.386 195 HG23 THR 21 HG23 THR 21 95.058 0.085 15.811 196 H ARG 22 HN ARG 22 96.975 -2.190 15.936 197 HA ARG 22 HA ARG 22 94.281 -3.110 15.750 198 HB2 ARG 22 HB2 ARG 22 96.806 -3.641 14.232 199 HB3 ARG 22 HB1 ARG 22 95.438 -4.729 14.019 200 HG2 ARG 22 HG2 ARG 22 94.001 -2.741 13.471 201 HG3 ARG 22 HG1 ARG 22 95.438 -1.718 13.554 202 HD2 ARG 22 HD2 ARG 22 95.042 -2.315 11.247 203 HD3 ARG 22 HD1 ARG 22 96.497 -3.134 11.808 204 HE ARG 22 HE ARG 22 95.378 -5.172 11.611 205 HH11 ARG 22 HH11 ARG 22 93.620 -6.427 10.901 206 HH12 ARG 22 HH12 ARG 22 92.101 -5.667 10.563 207 HH21 ARG 22 HH21 ARG 22 93.217 -2.481 11.357 208 HH22 ARG 22 HH22 ARG 22 91.873 -3.433 10.820 209 H GLY 23 HN GLY 23 96.887 -4.047 17.647 210 HA2 GLY 23 HA2 GLY 23 96.539 -5.713 19.385 211 HA3 GLY 23 HA1 GLY 23 95.575 -6.630 18.232 212 H VAL 24 HN VAL 24 98.620 -5.134 17.323 213 HA VAL 24 HA VAL 24 99.734 -7.835 16.917 214 HB VAL 24 HB VAL 24 100.693 -5.243 15.708 215 HG11 VAL 24 HG11 VAL 24 101.233 -8.171 15.196 216 HG12 VAL 24 HG12 VAL 24 102.392 -6.874 15.488 217 HG13 VAL 24 HG13 VAL 24 101.523 -6.953 13.958 218 HG21 VAL 24 HG21 VAL 24 99.470 -6.250 13.640 219 HG22 VAL 24 HG22 VAL 24 98.495 -5.431 14.861 220 HG23 VAL 24 HG23 VAL 24 98.566 -7.193 14.825 221 H LYS 25 HN LYS 25 102.183 -7.934 17.120 222 HA LYS 25 HA LYS 25 103.048 -6.344 19.452 223 HB2 LYS 25 HB2 LYS 25 103.707 -9.204 18.707 224 HB3 LYS 25 HB1 LYS 25 104.504 -8.314 20.005 225 HG2 LYS 25 HG2 LYS 25 102.326 -7.972 21.113 226 HG3 LYS 25 HG1 LYS 25 101.528 -8.865 19.817 227 HD2 LYS 25 HD2 LYS 25 102.879 -10.862 20.367 228 HD3 LYS 25 HD1 LYS 25 103.653 -9.969 21.677 229 HE2 LYS 25 HE2 LYS 25 101.485 -9.666 22.783 230 HE3 LYS 25 HE1 LYS 25 100.676 -10.505 21.459 231 HZ1 LYS 25 HZ1 LYS 25 102.175 -12.431 21.975 232 HZ2 LYS 25 HZ2 LYS 25 101.004 -12.083 23.157 233 HZ3 LYS 25 HZ3 LYS 25 102.621 -11.619 23.396 234 H VAL 26 HN VAL 26 105.258 -5.727 19.542 235 HA VAL 26 HA VAL 26 106.670 -5.841 16.944 236 HB VAL 26 HB VAL 26 107.377 -3.537 17.241 237 HG11 VAL 26 HG11 VAL 26 105.279 -3.720 16.110 238 HG12 VAL 26 HG12 VAL 26 105.073 -2.434 17.304 239 HG13 VAL 26 HG13 VAL 26 104.411 -4.033 17.610 240 HG21 VAL 26 HG21 VAL 26 106.239 -3.999 19.959 241 HG22 VAL 26 HG22 VAL 26 105.982 -2.400 19.265 242 HG23 VAL 26 HG23 VAL 26 107.621 -3.013 19.473 243 H LYS 27 HN LYS 27 108.240 -7.298 17.385 244 HA LYS 27 HA LYS 27 109.886 -6.868 19.812 245 HB2 LYS 27 HB2 LYS 27 108.657 -9.133 19.355 246 HB3 LYS 27 HB1 LYS 27 109.972 -9.399 18.208 247 HG2 LYS 27 HG2 LYS 27 111.426 -8.586 20.316 248 HG3 LYS 27 HG1 LYS 27 110.041 -9.230 21.186 249 HD2 LYS 27 HD2 LYS 27 111.660 -10.727 19.105 250 HD3 LYS 27 HD1 LYS 27 111.759 -10.961 20.853 251 HE2 LYS 27 HE2 LYS 27 109.280 -11.471 20.833 252 HE3 LYS 27 HE1 LYS 27 109.367 -11.481 19.072 253 HZ1 LYS 27 HZ1 LYS 27 110.923 -13.253 19.127 254 HZ2 LYS 27 HZ2 LYS 27 109.621 -13.696 20.126 255 HZ3 LYS 27 HZ3 LYS 27 111.080 -13.158 20.813 256 H TYR 28 HN TYR 28 112.240 -7.332 19.535 257 HA TYR 28 HA TYR 28 113.392 -5.813 17.490 258 HB2 TYR 28 HB2 TYR 28 114.548 -7.992 19.246 259 HB3 TYR 28 HB1 TYR 28 115.523 -6.938 18.223 260 HD1 TYR 28 HD1 TYR 28 113.234 -7.038 21.145 261 HD2 TYR 28 HD2 TYR 28 115.909 -4.638 18.793 262 HE1 TYR 28 HE1 TYR 28 113.193 -5.279 22.893 263 HE2 TYR 28 HE2 TYR 28 115.868 -2.879 20.541 264 HH TYR 28 HH TYR 28 115.365 -2.973 23.229 265 H ALA 29 HN ALA 29 112.937 -9.312 17.794 266 HA ALA 29 HA ALA 29 114.293 -10.142 15.498 267 HB1 ALA 29 HB1 ALA 29 111.764 -11.517 16.352 268 HB2 ALA 29 HB2 ALA 29 113.180 -11.547 17.404 269 HB3 ALA 29 HB3 ALA 29 113.277 -12.214 15.775 270 H ASP 30 HN ASP 30 111.388 -8.414 15.865 271 HA ASP 30 HA ASP 30 110.131 -9.139 13.375 272 HB2 ASP 30 HB2 ASP 30 108.979 -8.113 15.415 273 HB3 ASP 30 HB1 ASP 30 109.654 -6.579 14.876 274 H LEU 31 HN LEU 31 112.219 -6.492 14.441 275 HA LEU 31 HA LEU 31 112.113 -5.029 11.995 276 HB2 LEU 31 HB2 LEU 31 114.058 -5.160 14.295 277 HB3 LEU 31 HB1 LEU 31 114.428 -4.199 12.867 278 HG LEU 31 HG LEU 31 111.946 -3.287 13.314 279 HD11 LEU 31 HD11 LEU 31 111.488 -3.149 15.711 280 HD12 LEU 31 HD12 LEU 31 112.986 -4.001 16.076 281 HD13 LEU 31 HD13 LEU 31 111.669 -4.846 15.265 282 HD21 LEU 31 HD21 LEU 31 113.717 -1.739 13.217 283 HD22 LEU 31 HD22 LEU 31 114.564 -2.482 14.574 284 HD23 LEU 31 HD23 LEU 31 113.096 -1.546 14.856 285 H LEU 32 HN LEU 32 114.268 -7.604 13.158 286 HA LEU 32 HA LEU 32 116.127 -7.483 11.058 287 HB2 LEU 32 HB2 LEU 32 115.151 -9.997 12.383 288 HB3 LEU 32 HB1 LEU 32 116.746 -9.693 11.685 289 HG LEU 32 HG LEU 32 115.574 -8.262 14.109 290 HD11 LEU 32 HD11 LEU 32 116.629 -10.760 14.077 291 HD12 LEU 32 HD12 LEU 32 116.811 -9.651 15.437 292 HD13 LEU 32 HD13 LEU 32 118.104 -9.810 14.248 293 HD21 LEU 32 HD21 LEU 32 118.077 -7.893 12.466 294 HD22 LEU 32 HD22 LEU 32 118.077 -7.484 14.181 295 HD23 LEU 32 HD23 LEU 32 116.966 -6.668 13.081 296 H LYS 33 HN LYS 33 113.159 -9.415 11.336 297 HA LYS 33 HA LYS 33 113.415 -10.527 8.691 298 HB2 LYS 33 HB2 LYS 33 112.292 -11.726 10.547 299 HB3 LYS 33 HB1 LYS 33 111.013 -10.513 10.519 300 HG2 LYS 33 HG2 LYS 33 110.510 -11.090 8.162 301 HG3 LYS 33 HG1 LYS 33 111.794 -12.299 8.193 302 HD2 LYS 33 HD2 LYS 33 110.624 -13.498 10.005 303 HD3 LYS 33 HD1 LYS 33 109.336 -12.292 9.967 304 HE2 LYS 33 HE2 LYS 33 108.836 -12.874 7.635 305 HE3 LYS 33 HE1 LYS 33 110.139 -14.063 7.638 306 HZ1 LYS 33 HZ1 LYS 33 108.712 -15.523 8.456 307 HZ2 LYS 33 HZ2 LYS 33 107.488 -14.348 8.538 308 HZ3 LYS 33 HZ3 LYS 33 108.540 -14.576 9.853 309 H PHE 34 HN PHE 34 111.109 -8.228 10.179 310 HA PHE 34 HA PHE 34 109.629 -7.660 7.881 311 HB2 PHE 34 HB2 PHE 34 108.964 -7.012 10.171 312 HB3 PHE 34 HB1 PHE 34 110.263 -5.819 10.201 313 HD1 PHE 34 HD1 PHE 34 107.265 -6.845 8.213 314 HD2 PHE 34 HD2 PHE 34 109.886 -3.648 9.378 315 HE1 PHE 34 HE1 PHE 34 105.797 -5.218 7.052 316 HE2 PHE 34 HE2 PHE 34 108.420 -2.023 8.217 317 HZ PHE 34 HZ PHE 34 106.374 -2.806 7.053 318 H PHE 35 HN PHE 35 112.599 -6.190 9.088 319 HA PHE 35 HA PHE 35 112.656 -4.083 7.120 320 HB2 PHE 35 HB2 PHE 35 113.799 -4.162 9.428 321 HB3 PHE 35 HB1 PHE 35 115.064 -5.096 8.626 322 HD1 PHE 35 HD1 PHE 35 113.881 -1.874 9.441 323 HD2 PHE 35 HD2 PHE 35 115.924 -4.020 6.322 324 HE1 PHE 35 HE1 PHE 35 114.777 0.261 8.543 325 HE2 PHE 35 HE2 PHE 35 116.810 -1.883 5.433 326 HZ PHE 35 HZ PHE 35 116.239 0.256 6.542 327 H ASP 36 HN ASP 36 114.280 -7.244 7.527 328 HA ASP 36 HA ASP 36 115.831 -7.054 5.131 329 HB2 ASP 36 HB2 ASP 36 115.039 -9.427 6.826 330 HB3 ASP 36 HB1 ASP 36 116.134 -9.530 5.449 331 H PHE 37 HN PHE 37 112.575 -8.030 5.805 332 HA PHE 37 HA PHE 37 112.099 -9.655 3.535 333 HB2 PHE 37 HB2 PHE 37 110.523 -8.405 5.654 334 HB3 PHE 37 HB1 PHE 37 109.683 -8.427 4.109 335 HD1 PHE 37 HD1 PHE 37 108.157 -10.193 4.128 336 HD2 PHE 37 HD2 PHE 37 112.129 -10.826 5.638 337 HE1 PHE 37 HE1 PHE 37 107.670 -12.608 4.396 338 HE2 PHE 37 HE2 PHE 37 111.641 -13.243 5.907 339 HZ PHE 37 HZ PHE 37 109.411 -14.134 5.286 340 H VAL 38 HN VAL 38 111.117 -6.277 4.146 341 HA VAL 38 HA VAL 38 110.366 -5.824 1.427 342 HB VAL 38 HB VAL 38 110.595 -3.354 2.160 343 HG11 VAL 38 HG11 VAL 38 108.750 -5.339 3.520 344 HG12 VAL 38 HG12 VAL 38 108.443 -4.452 2.027 345 HG13 VAL 38 HG13 VAL 38 108.515 -3.593 3.567 346 HG21 VAL 38 HG21 VAL 38 111.990 -4.512 4.247 347 HG22 VAL 38 HG22 VAL 38 110.394 -4.239 4.945 348 HG23 VAL 38 HG23 VAL 38 111.300 -2.893 4.261 349 H LYS 39 HN LYS 39 113.324 -5.172 3.255 350 HA LYS 39 HA LYS 39 114.705 -3.627 1.370 351 HB2 LYS 39 HB2 LYS 39 115.483 -4.086 3.685 352 HB3 LYS 39 HB1 LYS 39 115.869 -5.737 3.201 353 HG2 LYS 39 HG2 LYS 39 117.479 -4.923 1.554 354 HG3 LYS 39 HG1 LYS 39 117.042 -3.253 1.915 355 HD2 LYS 39 HD2 LYS 39 117.817 -3.561 4.233 356 HD3 LYS 39 HD1 LYS 39 118.268 -5.223 3.864 357 HE2 LYS 39 HE2 LYS 39 119.430 -2.704 2.647 358 HE3 LYS 39 HE1 LYS 39 120.253 -3.871 3.679 359 HZ1 LYS 39 HZ1 LYS 39 119.297 -4.248 0.909 360 HZ2 LYS 39 HZ2 LYS 39 119.682 -5.561 1.917 361 HZ3 LYS 39 HZ3 LYS 39 120.874 -4.422 1.510 362 H ASP 40 HN ASP 40 114.067 -7.076 1.435 363 HA ASP 40 HA ASP 40 115.983 -8.108 -0.236 364 HB2 ASP 40 HB2 ASP 40 114.170 -9.437 0.767 365 HB3 ASP 40 HB1 ASP 40 113.016 -8.690 -0.335 366 H THR 41 HN THR 41 112.821 -6.911 -1.413 367 HA THR 41 HA THR 41 114.133 -6.236 -3.977 368 HB THR 41 HB THR 41 111.773 -6.446 -4.912 369 HG1 THR 41 HG1 THR 41 111.459 -7.252 -2.274 370 HG21 THR 41 HG21 THR 41 113.614 -8.576 -3.994 371 HG22 THR 41 HG22 THR 41 113.017 -8.224 -5.616 372 HG23 THR 41 HG23 THR 41 112.005 -9.112 -4.477 373 H CYS 42 HN CYS 42 113.171 -4.795 -1.253 374 HA CYS 42 HA CYS 42 112.098 -2.799 -0.693 375 HB2 CYS 42 HB2 CYS 42 113.225 -0.915 -2.179 376 HB3 CYS 42 HB1 CYS 42 114.163 -1.820 -0.994 377 HG CYS 42 HG CYS 42 115.528 -2.744 -2.831 378 HA PRO 43 HA PRO 43 109.141 -3.038 -4.320 379 HB2 PRO 43 HB2 PRO 43 107.179 -3.432 -2.145 380 HB3 PRO 43 HB1 PRO 43 107.409 -4.356 -3.641 381 HG2 PRO 43 HG2 PRO 43 108.093 -5.350 -1.276 382 HG3 PRO 43 HG1 PRO 43 109.045 -5.682 -2.729 383 HD2 PRO 43 HD2 PRO 43 109.614 -3.748 -0.497 384 HD3 PRO 43 HD1 PRO 43 110.723 -4.829 -1.367 385 H TRP 44 HN TRP 44 109.375 -1.275 -1.359 386 HA TRP 44 HA TRP 44 107.251 0.567 -1.779 387 HB2 TRP 44 HB2 TRP 44 109.476 0.229 0.090 388 HB3 TRP 44 HB1 TRP 44 109.114 1.921 -0.248 389 HD1 TRP 44 HD1 TRP 44 107.207 2.918 1.097 390 HE1 TRP 44 HE1 TRP 44 105.231 1.983 2.464 391 HE3 TRP 44 HE3 TRP 44 107.723 -2.064 0.098 392 HZ2 TRP 44 HZ2 TRP 44 104.029 -0.544 3.053 393 HZ3 TRP 44 HZ3 TRP 44 106.152 -3.711 1.076 394 HH2 TRP 44 HH2 TRP 44 104.306 -2.959 2.551 395 H PHE 45 HN PHE 45 109.201 0.098 -4.059 396 HA PHE 45 HA PHE 45 109.845 1.408 -5.829 397 HB2 PHE 45 HB2 PHE 45 108.133 3.116 -4.531 398 HB3 PHE 45 HB1 PHE 45 109.643 4.032 -4.518 399 HD1 PHE 45 HD1 PHE 45 106.801 3.923 -6.252 400 HD2 PHE 45 HD2 PHE 45 110.981 3.248 -6.979 401 HE1 PHE 45 HE1 PHE 45 106.471 4.462 -8.648 402 HE2 PHE 45 HE2 PHE 45 110.651 3.789 -9.376 403 HZ PHE 45 HZ PHE 45 108.396 4.395 -10.211 404 HA PRO 46 HA PRO 46 113.919 1.367 -3.672 405 HB2 PRO 46 HB2 PRO 46 114.771 1.050 -6.505 406 HB3 PRO 46 HB1 PRO 46 115.245 0.116 -5.073 407 HG2 PRO 46 HG2 PRO 46 113.570 -0.868 -6.897 408 HG3 PRO 46 HG1 PRO 46 113.394 -1.225 -5.176 409 HD2 PRO 46 HD2 PRO 46 111.766 0.591 -6.883 410 HD3 PRO 46 HD1 PRO 46 111.284 -0.377 -5.473 411 H GLN 47 HN GLN 47 112.612 3.338 -6.215 412 HA GLN 47 HA GLN 47 114.921 5.107 -6.356 413 HB2 GLN 47 HB2 GLN 47 112.121 5.357 -7.466 414 HB3 GLN 47 HB1 GLN 47 113.456 6.452 -7.826 415 HG2 GLN 47 HG2 GLN 47 114.768 4.566 -8.732 416 HG3 GLN 47 HG1 GLN 47 113.431 3.471 -8.387 417 HE21 GLN 47 HE21 GLN 47 113.829 3.269 -10.934 418 HE22 GLN 47 HE22 GLN 47 112.864 4.288 -11.889 419 H GLU 48 HN GLU 48 111.502 5.602 -5.449 420 HA GLU 48 HA GLU 48 112.299 7.949 -3.853 421 HB2 GLU 48 HB2 GLU 48 110.442 8.337 -5.316 422 HB3 GLU 48 HB1 GLU 48 109.594 6.914 -4.716 423 HG2 GLU 48 HG2 GLU 48 108.729 9.045 -3.740 424 HG3 GLU 48 HG1 GLU 48 109.337 7.946 -2.510 425 H GLY 49 HN GLY 49 111.171 4.678 -3.459 426 HA2 GLY 49 HA2 GLY 49 111.080 3.386 -1.520 427 HA3 GLY 49 HA1 GLY 49 111.714 4.765 -0.629 428 H THR 50 HN THR 50 108.816 4.896 -2.643 429 HA THR 50 HA THR 50 107.233 5.698 -0.311 430 HB THR 50 HB THR 50 107.164 7.118 -2.357 431 HG1 THR 50 HG1 THR 50 105.387 7.150 -1.043 432 HG21 THR 50 HG21 THR 50 106.035 6.245 -4.357 433 HG22 THR 50 HG22 THR 50 105.826 4.673 -3.583 434 HG23 THR 50 HG23 THR 50 107.447 5.260 -3.985 435 H ILE 51 HN ILE 51 104.851 4.974 -0.444 436 HA ILE 51 HA ILE 51 104.874 2.078 -0.400 437 HB ILE 51 HB ILE 51 102.386 3.657 -0.014 438 HG12 ILE 51 HG12 ILE 51 104.764 3.655 1.857 439 HG13 ILE 51 HG11 ILE 51 103.940 5.053 1.159 440 HG21 ILE 51 HG21 ILE 51 103.466 1.562 1.820 441 HG22 ILE 51 HG22 ILE 51 102.836 1.071 0.247 442 HG23 ILE 51 HG23 ILE 51 101.804 1.925 1.391 443 HD11 ILE 51 HD11 ILE 51 102.851 3.135 3.217 444 HD12 ILE 51 HD12 ILE 51 101.862 4.326 2.376 445 HD13 ILE 51 HD13 ILE 51 103.185 4.852 3.415 446 H ASP 52 HN ASP 52 103.834 0.724 -1.806 447 HA ASP 52 HA ASP 52 102.197 1.929 -3.941 448 HB2 ASP 52 HB2 ASP 52 104.564 0.078 -4.301 449 HB3 ASP 52 HB1 ASP 52 103.329 0.300 -5.539 450 H ILE 53 HN ILE 53 100.307 0.932 -4.030 451 HA ILE 53 HA ILE 53 99.779 -1.480 -2.591 452 HB ILE 53 HB ILE 53 98.020 -0.123 -4.649 453 HG12 ILE 53 HG12 ILE 53 98.758 1.485 -2.946 454 HG13 ILE 53 HG11 ILE 53 97.065 1.089 -2.665 455 HG21 ILE 53 HG21 ILE 53 96.673 -1.323 -2.393 456 HG22 ILE 53 HG22 ILE 53 97.744 -2.513 -3.127 457 HG23 ILE 53 HG23 ILE 53 96.510 -1.718 -4.105 458 HD11 ILE 53 HD11 ILE 53 99.505 0.334 -1.079 459 HD12 ILE 53 HD12 ILE 53 98.147 -0.784 -1.072 460 HD13 ILE 53 HD13 ILE 53 97.924 0.863 -0.497 461 H LYS 54 HN LYS 54 100.128 -0.706 -6.030 462 HA LYS 54 HA LYS 54 99.406 -3.254 -7.037 463 HB2 LYS 54 HB2 LYS 54 101.306 -1.223 -8.238 464 HB3 LYS 54 HB1 LYS 54 100.442 -2.488 -9.106 465 HG2 LYS 54 HG2 LYS 54 99.043 -0.289 -7.554 466 HG3 LYS 54 HG1 LYS 54 99.405 -0.173 -9.275 467 HD2 LYS 54 HD2 LYS 54 98.133 -2.364 -9.561 468 HD3 LYS 54 HD1 LYS 54 97.591 -2.166 -7.895 469 HE2 LYS 54 HE2 LYS 54 96.725 0.112 -8.523 470 HE3 LYS 54 HE1 LYS 54 97.092 -0.281 -10.204 471 HZ1 LYS 54 HZ1 LYS 54 95.676 -2.250 -9.987 472 HZ2 LYS 54 HZ2 LYS 54 94.811 -0.810 -9.726 473 HZ3 LYS 54 HZ3 LYS 54 95.268 -1.783 -8.409 474 H ARG 55 HN ARG 55 102.598 -1.802 -6.438 475 HA ARG 55 HA ARG 55 104.071 -4.127 -7.096 476 HB2 ARG 55 HB2 ARG 55 104.650 -1.473 -6.289 477 HB3 ARG 55 HB1 ARG 55 105.459 -2.543 -5.142 478 HG2 ARG 55 HG2 ARG 55 106.518 -3.763 -6.979 479 HG3 ARG 55 HG1 ARG 55 105.656 -2.778 -8.161 480 HD2 ARG 55 HD2 ARG 55 106.785 -0.762 -7.322 481 HD3 ARG 55 HD1 ARG 55 107.623 -1.726 -6.113 482 HE ARG 55 HE ARG 55 109.025 -2.564 -7.791 483 HH11 ARG 55 HH11 ARG 55 109.919 -2.432 -9.872 484 HH12 ARG 55 HH12 ARG 55 109.080 -1.567 -11.116 485 HH21 ARG 55 HH21 ARG 55 106.421 -0.680 -9.075 486 HH22 ARG 55 HH22 ARG 55 107.101 -0.575 -10.664 487 H TRP 56 HN TRP 56 102.619 -2.944 -4.116 488 HA TRP 56 HA TRP 56 103.865 -4.616 -2.290 489 HB2 TRP 56 HB2 TRP 56 102.459 -2.913 -1.430 490 HB3 TRP 56 HB1 TRP 56 101.073 -3.489 -2.355 491 HD1 TRP 56 HD1 TRP 56 99.415 -4.717 -0.911 492 HE1 TRP 56 HE1 TRP 56 99.524 -6.244 1.163 493 HE3 TRP 56 HE3 TRP 56 104.463 -4.790 -0.126 494 HZ2 TRP 56 HZ2 TRP 56 101.492 -7.351 2.920 495 HZ3 TRP 56 HZ3 TRP 56 105.426 -6.087 1.745 496 HH2 TRP 56 HH2 TRP 56 103.952 -7.370 3.266 497 H ARG 57 HN ARG 57 101.143 -5.224 -4.428 498 HA ARG 57 HA ARG 57 100.484 -7.791 -3.412 499 HB2 ARG 57 HB2 ARG 57 99.999 -6.568 -6.145 500 HB3 ARG 57 HB1 ARG 57 99.348 -8.119 -5.619 501 HG2 ARG 57 HG2 ARG 57 98.246 -7.000 -3.703 502 HG3 ARG 57 HG1 ARG 57 98.847 -5.447 -4.283 503 HD2 ARG 57 HD2 ARG 57 97.068 -7.312 -5.873 504 HD3 ARG 57 HD1 ARG 57 96.505 -5.890 -5.000 505 HE ARG 57 HE ARG 57 98.538 -5.014 -6.684 506 HH11 ARG 57 HH11 ARG 57 98.055 -4.142 -8.726 507 HH12 ARG 57 HH12 ARG 57 96.554 -4.536 -9.497 508 HH21 ARG 57 HH21 ARG 57 95.457 -6.573 -6.915 509 HH22 ARG 57 HH22 ARG 57 95.084 -5.912 -8.471 510 H ARG 58 HN ARG 58 102.723 -6.653 -5.897 511 HA ARG 58 HA ARG 58 103.374 -9.136 -7.044 512 HB2 ARG 58 HB2 ARG 58 104.073 -6.923 -7.946 513 HB3 ARG 58 HB1 ARG 58 105.226 -6.782 -6.620 514 HG2 ARG 58 HG2 ARG 58 106.365 -8.829 -7.367 515 HG3 ARG 58 HG1 ARG 58 105.199 -9.010 -8.679 516 HD2 ARG 58 HD2 ARG 58 105.905 -6.813 -9.585 517 HD3 ARG 58 HD1 ARG 58 107.101 -6.681 -8.298 518 HE ARG 58 HE ARG 58 107.260 -8.389 -10.646 519 HH11 ARG 58 HH11 ARG 58 109.242 -9.464 -10.906 520 HH12 ARG 58 HH12 ARG 58 110.375 -9.510 -9.597 521 HH21 ARG 58 HH21 ARG 58 108.365 -7.679 -7.444 522 HH22 ARG 58 HH22 ARG 58 109.879 -8.499 -7.637 523 H VAL 59 HN VAL 59 104.972 -7.402 -4.359 524 HA VAL 59 HA VAL 59 106.856 -9.484 -3.806 525 HB VAL 59 HB VAL 59 107.327 -7.232 -3.061 526 HG11 VAL 59 HG11 VAL 59 104.823 -7.526 -1.381 527 HG12 VAL 59 HG12 VAL 59 105.005 -6.504 -2.806 528 HG13 VAL 59 HG13 VAL 59 105.924 -6.151 -1.348 529 HG21 VAL 59 HG21 VAL 59 107.745 -9.415 -1.549 530 HG22 VAL 59 HG22 VAL 59 106.705 -8.515 -0.439 531 HG23 VAL 59 HG23 VAL 59 108.215 -7.801 -1.014 532 H GLY 60 HN GLY 60 103.609 -8.756 -2.674 533 HA2 GLY 60 HA2 GLY 60 103.536 -10.510 -0.463 534 HA3 GLY 60 HA1 GLY 60 102.134 -9.934 -1.359 535 H ASP 61 HN ASP 61 102.431 -10.992 -3.828 536 HA ASP 61 HA ASP 61 101.722 -13.727 -3.420 537 HB2 ASP 61 HB2 ASP 61 101.600 -13.804 -5.910 538 HB3 ASP 61 HB1 ASP 61 100.677 -12.477 -5.208 539 H CYS 62 HN CYS 62 104.632 -12.080 -4.522 540 HA CYS 62 HA CYS 62 105.991 -14.368 -5.500 541 HB2 CYS 62 HB2 CYS 62 106.993 -11.721 -4.443 542 HB3 CYS 62 HB1 CYS 62 108.047 -12.943 -5.151 543 HG CYS 62 HG CYS 62 107.394 -12.018 -7.349 544 H PHE 63 HN PHE 63 105.787 -12.871 -2.302 545 HA PHE 63 HA PHE 63 107.728 -14.676 -1.147 546 HB2 PHE 63 HB2 PHE 63 106.003 -12.443 -0.159 547 HB3 PHE 63 HB1 PHE 63 106.636 -13.601 1.011 548 HD1 PHE 63 HD1 PHE 63 108.598 -12.889 2.049 549 HD2 PHE 63 HD2 PHE 63 107.952 -11.923 -2.087 550 HE1 PHE 63 HE1 PHE 63 110.806 -11.767 1.966 551 HE2 PHE 63 HE2 PHE 63 110.161 -10.800 -2.170 552 HZ PHE 63 HZ PHE 63 111.589 -10.722 -0.143 553 H GLN 64 HN GLN 64 104.220 -14.284 -1.154 554 HA GLN 64 HA GLN 64 103.661 -16.394 0.649 555 HB2 GLN 64 HB2 GLN 64 102.088 -14.520 -0.149 556 HB3 GLN 64 HB1 GLN 64 101.796 -15.543 -1.555 557 HG2 GLN 64 HG2 GLN 64 100.088 -16.085 0.037 558 HG3 GLN 64 HG1 GLN 64 101.240 -17.418 0.079 559 HE21 GLN 64 HE21 GLN 64 101.269 -18.061 2.258 560 HE22 GLN 64 HE22 GLN 64 101.515 -17.006 3.563 561 H ASP 65 HN ASP 65 104.078 -16.286 -2.838 562 HA ASP 65 HA ASP 65 103.180 -18.915 -3.394 563 HB2 ASP 65 HB2 ASP 65 103.438 -17.237 -5.142 564 HB3 ASP 65 HB1 ASP 65 105.171 -17.160 -4.829 565 H TYR 66 HN TYR 66 106.505 -17.614 -3.072 566 HA TYR 66 HA TYR 66 107.776 -20.146 -3.182 567 HB2 TYR 66 HB2 TYR 66 108.573 -17.385 -2.436 568 HB3 TYR 66 HB1 TYR 66 109.582 -18.698 -1.829 569 HD1 TYR 66 HD1 TYR 66 108.408 -16.919 -4.820 570 HD2 TYR 66 HD2 TYR 66 110.741 -20.223 -3.370 571 HE1 TYR 66 HE1 TYR 66 109.468 -17.149 -7.051 572 HE2 TYR 66 HE2 TYR 66 111.802 -20.450 -5.601 573 HH TYR 66 HH TYR 66 111.723 -19.800 -7.749 574 H TYR 67 HN TYR 67 106.623 -18.164 -0.495 575 HA TYR 67 HA TYR 67 107.702 -19.746 1.579 576 HB2 TYR 67 HB2 TYR 67 106.847 -17.455 1.917 577 HB3 TYR 67 HB1 TYR 67 105.212 -18.035 1.623 578 HD1 TYR 67 HD1 TYR 67 103.929 -18.528 3.507 579 HD2 TYR 67 HD2 TYR 67 108.198 -18.982 3.696 580 HE1 TYR 67 HE1 TYR 67 103.757 -19.206 5.881 581 HE2 TYR 67 HE2 TYR 67 108.021 -19.658 6.073 582 HH TYR 67 HH TYR 67 105.744 -19.053 7.992 583 H ASN 68 HN ASN 68 104.608 -19.856 -0.127 584 HA ASN 68 HA ASN 68 103.342 -21.795 1.470 585 HB2 ASN 68 HB2 ASN 68 103.024 -20.990 -1.415 586 HB3 ASN 68 HB1 ASN 68 102.037 -22.257 -0.688 587 HD21 ASN 68 HD21 ASN 68 102.748 -20.155 1.799 588 HD22 ASN 68 HD22 ASN 68 101.384 -19.154 1.706 589 H THR 69 HN THR 69 105.455 -22.129 -1.366 590 HA THR 69 HA THR 69 105.165 -24.843 -1.888 591 HB THR 69 HB THR 69 107.464 -24.766 -2.796 592 HG1 THR 69 HG1 THR 69 108.613 -23.568 -1.404 593 HG21 THR 69 HG21 THR 69 105.332 -22.883 -3.390 594 HG22 THR 69 HG22 THR 69 106.383 -23.765 -4.499 595 HG23 THR 69 HG23 THR 69 106.908 -22.223 -3.824 596 H PHE 70 HN PHE 70 106.662 -23.306 0.833 597 HA PHE 70 HA PHE 70 108.046 -25.723 1.634 598 HB2 PHE 70 HB2 PHE 70 107.702 -23.002 2.891 599 HB3 PHE 70 HB1 PHE 70 108.498 -24.331 3.733 600 HD1 PHE 70 HD1 PHE 70 108.846 -21.743 1.240 601 HD2 PHE 70 HD2 PHE 70 110.496 -25.458 2.622 602 HE1 PHE 70 HE1 PHE 70 110.944 -21.267 0.008 603 HE2 PHE 70 HE2 PHE 70 112.594 -24.985 1.387 604 HZ PHE 70 HZ PHE 70 112.818 -22.889 0.080 605 H GLY 71 HN GLY 71 104.961 -25.260 1.441 606 HA2 GLY 71 HA2 GLY 71 103.063 -25.753 2.675 607 HA3 GLY 71 HA1 GLY 71 104.016 -27.164 3.125 608 HA PRO 72 HA PRO 72 104.814 -24.155 6.720 609 HB2 PRO 72 HB2 PRO 72 103.941 -21.576 6.546 610 HB3 PRO 72 HB1 PRO 72 105.506 -22.114 5.911 611 HG2 PRO 72 HG2 PRO 72 103.004 -21.481 4.469 612 HG3 PRO 72 HG1 PRO 72 104.689 -21.309 3.965 613 HD2 PRO 72 HD2 PRO 72 102.982 -23.370 3.179 614 HD3 PRO 72 HD1 PRO 72 104.749 -23.366 3.039 615 H GLU 73 HN GLU 73 103.552 -24.566 8.456 616 HA GLU 73 HA GLU 73 100.656 -24.558 8.155 617 HB2 GLU 73 HB2 GLU 73 102.572 -25.588 10.218 618 HB3 GLU 73 HB1 GLU 73 100.852 -25.454 10.568 619 HG2 GLU 73 HG2 GLU 73 100.315 -26.867 8.642 620 HG3 GLU 73 HG1 GLU 73 102.019 -26.941 8.195 621 H LYS 74 HN LYS 74 103.177 -22.803 9.796 622 HA LYS 74 HA LYS 74 101.602 -21.447 11.695 623 HB2 LYS 74 HB2 LYS 74 104.028 -20.247 10.367 624 HB3 LYS 74 HB1 LYS 74 103.450 -20.013 12.020 625 HG2 LYS 74 HG2 LYS 74 104.631 -22.542 10.834 626 HG3 LYS 74 HG1 LYS 74 105.334 -21.551 12.112 627 HD2 LYS 74 HD2 LYS 74 103.141 -22.039 13.405 628 HD3 LYS 74 HD1 LYS 74 102.904 -23.328 12.217 629 HE2 LYS 74 HE2 LYS 74 105.121 -24.262 12.800 630 HE3 LYS 74 HE1 LYS 74 105.325 -23.000 14.016 631 HZ1 LYS 74 HZ1 LYS 74 103.151 -23.838 14.965 632 HZ2 LYS 74 HZ2 LYS 74 104.506 -24.844 15.168 633 HZ3 LYS 74 HZ3 LYS 74 103.349 -25.201 13.975 634 H VAL 75 HN VAL 75 102.601 -20.491 8.388 635 HA VAL 75 HA VAL 75 102.046 -18.498 7.256 636 HB VAL 75 HB VAL 75 99.444 -19.974 7.646 637 HG11 VAL 75 HG11 VAL 75 98.691 -18.023 6.680 638 HG12 VAL 75 HG12 VAL 75 99.258 -18.835 5.220 639 HG13 VAL 75 HG13 VAL 75 100.272 -17.626 6.006 640 HG21 VAL 75 HG21 VAL 75 100.096 -21.266 5.793 641 HG22 VAL 75 HG22 VAL 75 101.622 -21.064 6.655 642 HG23 VAL 75 HG23 VAL 75 101.267 -20.059 5.252 643 HA PRO 76 HA PRO 76 100.696 -16.131 11.021 644 HB2 PRO 76 HB2 PRO 76 102.391 -14.108 9.627 645 HB3 PRO 76 HB1 PRO 76 102.370 -14.570 11.341 646 HG2 PRO 76 HG2 PRO 76 104.341 -15.346 9.745 647 HG3 PRO 76 HG1 PRO 76 103.693 -16.429 10.991 648 HD2 PRO 76 HD2 PRO 76 103.222 -16.453 8.037 649 HD3 PRO 76 HD1 PRO 76 103.411 -17.823 9.158 650 H VAL 77 HN VAL 77 98.788 -15.177 10.953 651 HA VAL 77 HA VAL 77 97.705 -14.176 8.450 652 HB VAL 77 HB VAL 77 96.505 -14.329 11.222 653 HG11 VAL 77 HG11 VAL 77 94.391 -14.144 9.559 654 HG12 VAL 77 HG12 VAL 77 95.551 -13.174 8.653 655 HG13 VAL 77 HG13 VAL 77 95.136 -12.735 10.311 656 HG21 VAL 77 HG21 VAL 77 95.373 -15.960 9.036 657 HG22 VAL 77 HG22 VAL 77 95.810 -16.454 10.670 658 HG23 VAL 77 HG23 VAL 77 97.045 -16.393 9.407 659 H THR 78 HN THR 78 99.216 -12.876 11.257 660 HA THR 78 HA THR 78 98.180 -10.351 11.525 661 HB THR 78 HB THR 78 100.360 -9.662 12.332 662 HG1 THR 78 HG1 THR 78 102.141 -10.534 11.601 663 HG21 THR 78 HG21 THR 78 100.095 -11.005 14.119 664 HG22 THR 78 HG22 THR 78 100.757 -12.371 13.222 665 HG23 THR 78 HG23 THR 78 99.029 -12.029 13.157 666 H ALA 79 HN ALA 79 100.024 -11.638 8.867 667 HA ALA 79 HA ALA 79 100.955 -9.300 7.668 668 HB1 ALA 79 HB1 ALA 79 100.443 -12.067 6.879 669 HB2 ALA 79 HB2 ALA 79 101.778 -10.996 6.440 670 HB3 ALA 79 HB3 ALA 79 100.257 -10.921 5.549 671 H PHE 80 HN PHE 80 97.758 -10.589 7.901 672 HA PHE 80 HA PHE 80 96.549 -9.279 5.701 673 HB2 PHE 80 HB2 PHE 80 95.572 -11.197 7.064 674 HB3 PHE 80 HB1 PHE 80 95.156 -9.996 8.287 675 HD1 PHE 80 HD1 PHE 80 94.904 -10.510 4.581 676 HD2 PHE 80 HD2 PHE 80 93.058 -8.961 8.138 677 HE1 PHE 80 HE1 PHE 80 92.888 -9.904 3.271 678 HE2 PHE 80 HE2 PHE 80 91.041 -8.357 6.827 679 HZ PHE 80 HZ PHE 80 90.956 -8.828 4.394 680 H SER 81 HN SER 81 97.121 -8.333 9.074 681 HA SER 81 HA SER 81 95.581 -5.971 9.055 682 HB2 SER 81 HB2 SER 81 98.004 -6.776 10.668 683 HB3 SER 81 HB1 SER 81 97.070 -5.313 10.968 684 HG SER 81 HG SER 81 95.900 -6.623 12.135 685 H TYR 82 HN TYR 82 98.943 -6.639 8.158 686 HA TYR 82 HA TYR 82 99.855 -4.007 7.885 687 HB2 TYR 82 HB2 TYR 82 100.630 -6.645 6.791 688 HB3 TYR 82 HB1 TYR 82 101.208 -5.238 5.907 689 HD1 TYR 82 HD1 TYR 82 101.347 -7.074 9.096 690 HD2 TYR 82 HD2 TYR 82 102.707 -3.619 6.934 691 HE1 TYR 82 HE1 TYR 82 103.093 -6.690 10.815 692 HE2 TYR 82 HE2 TYR 82 104.458 -3.237 8.654 693 HH TYR 82 HH TYR 82 105.594 -4.269 10.383 694 H TRP 83 HN TRP 83 98.404 -6.152 5.416 695 HA TRP 83 HA TRP 83 98.461 -4.285 3.312 696 HB2 TRP 83 HB2 TRP 83 98.014 -6.563 2.785 697 HB3 TRP 83 HB1 TRP 83 96.632 -6.615 3.878 698 HD1 TRP 83 HD1 TRP 83 97.713 -4.574 0.763 699 HE1 TRP 83 HE1 TRP 83 95.621 -4.167 -0.687 700 HE3 TRP 83 HE3 TRP 83 94.166 -6.805 3.683 701 HZ2 TRP 83 HZ2 TRP 83 92.814 -4.715 -0.618 702 HZ3 TRP 83 HZ3 TRP 83 91.794 -6.848 2.967 703 HH2 TRP 83 HH2 TRP 83 91.114 -5.807 0.823 704 H ASN 84 HN ASN 84 95.969 -4.926 5.759 705 HA ASN 84 HA ASN 84 94.042 -3.133 4.728 706 HB2 ASN 84 HB2 ASN 84 94.529 -4.268 7.483 707 HB3 ASN 84 HB1 ASN 84 93.178 -3.194 7.133 708 HD21 ASN 84 HD21 ASN 84 92.824 -5.943 7.945 709 HD22 ASN 84 HD22 ASN 84 92.128 -6.782 6.643 710 H LEU 85 HN LEU 85 96.605 -2.684 7.192 711 HA LEU 85 HA LEU 85 95.875 -0.032 7.842 712 HB2 LEU 85 HB2 LEU 85 97.254 -1.492 9.288 713 HB3 LEU 85 HB1 LEU 85 98.547 -1.422 8.091 714 HG LEU 85 HG LEU 85 98.616 1.047 8.331 715 HD11 LEU 85 HD11 LEU 85 96.300 0.462 10.118 716 HD12 LEU 85 HD12 LEU 85 96.601 1.860 9.086 717 HD13 LEU 85 HD13 LEU 85 97.417 1.721 10.643 718 HD21 LEU 85 HD21 LEU 85 99.931 -0.636 9.774 719 HD22 LEU 85 HD22 LEU 85 98.823 -0.192 11.070 720 HD23 LEU 85 HD23 LEU 85 99.854 1.034 10.336 721 H ILE 86 HN ILE 86 98.533 -1.351 5.847 722 HA ILE 86 HA ILE 86 99.496 1.099 4.910 723 HB ILE 86 HB ILE 86 99.769 -1.722 4.089 724 HG12 ILE 86 HG12 ILE 86 101.953 0.323 4.001 725 HG13 ILE 86 HG11 ILE 86 101.286 -0.086 5.586 726 HG21 ILE 86 HG21 ILE 86 101.103 -0.891 2.049 727 HG22 ILE 86 HG22 ILE 86 100.168 0.591 2.201 728 HG23 ILE 86 HG23 ILE 86 99.341 -0.933 1.900 729 HD11 ILE 86 HD11 ILE 86 101.705 -2.465 5.157 730 HD12 ILE 86 HD12 ILE 86 103.199 -1.542 4.988 731 HD13 ILE 86 HD13 ILE 86 102.321 -2.077 3.551 732 H LYS 87 HN LYS 87 96.944 -0.985 3.688 733 HA LYS 87 HA LYS 87 96.469 0.188 1.229 734 HB2 LYS 87 HB2 LYS 87 95.238 -1.752 1.780 735 HB3 LYS 87 HB1 LYS 87 94.607 -1.029 3.259 736 HG2 LYS 87 HG2 LYS 87 93.197 0.477 2.043 737 HG3 LYS 87 HG1 LYS 87 93.986 0.078 0.508 738 HD2 LYS 87 HD2 LYS 87 93.144 -2.242 0.697 739 HD3 LYS 87 HD1 LYS 87 92.344 -1.819 2.212 740 HE2 LYS 87 HE2 LYS 87 90.987 -0.134 1.044 741 HE3 LYS 87 HE1 LYS 87 91.799 -0.519 -0.474 742 HZ1 LYS 87 HZ1 LYS 87 90.586 -2.355 -0.743 743 HZ2 LYS 87 HZ2 LYS 87 89.534 -1.683 0.410 744 HZ3 LYS 87 HZ3 LYS 87 90.713 -2.811 0.886 745 H GLU 88 HN GLU 88 95.087 1.162 4.398 746 HA GLU 88 HA GLU 88 93.904 3.487 3.184 747 HB2 GLU 88 HB2 GLU 88 92.676 3.620 5.096 748 HB3 GLU 88 HB1 GLU 88 93.153 1.927 5.190 749 HG2 GLU 88 HG2 GLU 88 93.654 2.713 7.334 750 HG3 GLU 88 HG1 GLU 88 95.212 2.799 6.529 751 H LEU 89 HN LEU 89 96.894 2.686 4.621 752 HA LEU 89 HA LEU 89 97.528 5.024 5.996 753 HB2 LEU 89 HB2 LEU 89 98.789 2.840 5.958 754 HB3 LEU 89 HB1 LEU 89 99.472 3.343 4.424 755 HG LEU 89 HG LEU 89 100.284 5.411 5.560 756 HD11 LEU 89 HD11 LEU 89 99.173 5.809 7.518 757 HD12 LEU 89 HD12 LEU 89 100.492 4.853 8.186 758 HD13 LEU 89 HD13 LEU 89 98.934 4.097 7.857 759 HD21 LEU 89 HD21 LEU 89 101.821 3.775 7.181 760 HD22 LEU 89 HD22 LEU 89 102.149 4.154 5.494 761 HD23 LEU 89 HD23 LEU 89 101.262 2.687 5.910 762 H ILE 90 HN ILE 90 97.932 4.146 2.610 763 HA ILE 90 HA ILE 90 99.409 6.404 1.836 764 HB ILE 90 HB ILE 90 97.503 4.653 0.251 765 HG12 ILE 90 HG12 ILE 90 100.513 4.825 0.534 766 HG13 ILE 90 HG11 ILE 90 99.479 3.527 1.101 767 HG21 ILE 90 HG21 ILE 90 99.371 6.878 -0.695 768 HG22 ILE 90 HG22 ILE 90 97.618 6.838 -0.872 769 HG23 ILE 90 HG23 ILE 90 98.606 5.708 -1.774 770 HD11 ILE 90 HD11 ILE 90 100.018 4.305 -1.778 771 HD12 ILE 90 HD12 ILE 90 98.758 3.168 -1.306 772 HD13 ILE 90 HD13 ILE 90 100.451 2.792 -0.995 773 H ASP 91 HN ASP 91 95.912 5.808 2.046 774 HA ASP 91 HA ASP 91 94.784 7.910 0.762 775 HB2 ASP 91 HB2 ASP 91 92.896 7.550 2.035 776 HB3 ASP 91 HB1 ASP 91 93.790 6.085 2.438 777 H LYS 92 HN LYS 92 96.797 8.082 3.584 778 HA LYS 92 HA LYS 92 96.048 10.638 4.528 779 HB2 LYS 92 HB2 LYS 92 98.625 9.078 4.722 780 HB3 LYS 92 HB1 LYS 92 98.392 10.640 5.508 781 HG2 LYS 92 HG2 LYS 92 96.417 9.726 6.699 782 HG3 LYS 92 HG1 LYS 92 96.700 8.158 5.941 783 HD2 LYS 92 HD2 LYS 92 98.931 8.054 6.989 784 HD3 LYS 92 HD1 LYS 92 98.648 9.617 7.752 785 HE2 LYS 92 HE2 LYS 92 96.689 8.677 8.939 786 HE3 LYS 92 HE1 LYS 92 97.005 7.107 8.201 787 HZ1 LYS 92 HZ1 LYS 92 98.293 8.369 10.427 788 HZ2 LYS 92 HZ2 LYS 92 99.401 7.812 9.266 789 HZ3 LYS 92 HZ3 LYS 92 98.286 6.737 9.965 790 H LYS 93 HN LYS 93 96.556 12.647 3.892 791 HA LYS 93 HA LYS 93 98.064 12.934 1.393 792 HB2 LYS 93 HB2 LYS 93 96.291 14.854 2.921 793 HB3 LYS 93 HB1 LYS 93 97.124 15.247 1.417 794 HG2 LYS 93 HG2 LYS 93 95.940 13.432 0.262 795 HG3 LYS 93 HG1 LYS 93 95.129 12.989 1.764 796 HD2 LYS 93 HD2 LYS 93 94.076 15.219 1.857 797 HD3 LYS 93 HD1 LYS 93 94.883 15.663 0.353 798 HE2 LYS 93 HE2 LYS 93 93.720 13.829 -0.818 799 HE3 LYS 93 HE1 LYS 93 92.913 13.381 0.684 800 HZ1 LYS 93 HZ1 LYS 93 91.793 14.987 -1.043 801 HZ2 LYS 93 HZ2 LYS 93 92.704 16.158 -0.213 802 HZ3 LYS 93 HZ3 LYS 93 91.577 15.201 0.626 803 H GLU 94 HN GLU 94 98.543 13.201 4.716 804 HA GLU 94 HA GLU 94 100.457 15.392 4.598 805 HB2 GLU 94 HB2 GLU 94 99.671 13.522 6.847 806 HB3 GLU 94 HB1 GLU 94 100.765 14.895 7.012 807 HG2 GLU 94 HG2 GLU 94 97.905 15.100 6.031 808 HG3 GLU 94 HG1 GLU 94 98.413 15.429 7.686 809 H VAL 95 HN VAL 95 100.733 12.640 3.230 810 HA VAL 95 HA VAL 95 102.887 11.265 4.435 811 HB VAL 95 HB VAL 95 102.181 11.390 1.488 812 HG11 VAL 95 HG11 VAL 95 103.622 9.279 3.124 813 HG12 VAL 95 HG12 VAL 95 104.407 10.406 2.017 814 HG13 VAL 95 HG13 VAL 95 103.281 9.201 1.396 815 HG21 VAL 95 HG21 VAL 95 101.334 9.151 3.272 816 HG22 VAL 95 HG22 VAL 95 100.544 9.804 1.837 817 HG23 VAL 95 HG23 VAL 95 100.421 10.654 3.375 818 H ASN 96 HN ASN 96 105.063 11.457 4.245 819 HA ASN 96 HA ASN 96 106.306 13.836 4.056 820 HB2 ASN 96 HB2 ASN 96 107.161 11.078 3.861 821 HB3 ASN 96 HB1 ASN 96 108.152 12.118 2.838 822 HD21 ASN 96 HD21 ASN 96 106.645 12.436 6.112 823 HD22 ASN 96 HD22 ASN 96 108.054 13.025 6.853 824 HA PRO 97 HA PRO 97 106.476 15.657 0.054 825 HB2 PRO 97 HB2 PRO 97 109.405 15.138 -0.037 826 HB3 PRO 97 HB1 PRO 97 108.516 16.653 -0.280 827 HG2 PRO 97 HG2 PRO 97 109.863 16.043 1.993 828 HG3 PRO 97 HG1 PRO 97 108.467 17.129 1.931 829 HD2 PRO 97 HD2 PRO 97 108.659 14.446 3.110 830 HD3 PRO 97 HD1 PRO 97 107.406 15.687 3.326 831 H GLN 98 HN GLN 98 107.883 12.511 0.592 832 HA GLN 98 HA GLN 98 108.646 11.630 -1.871 833 HB2 GLN 98 HB2 GLN 98 108.299 9.480 -1.082 834 HB3 GLN 98 HB1 GLN 98 108.327 10.389 0.429 835 HG2 GLN 98 HG2 GLN 98 105.774 10.639 0.080 836 HG3 GLN 98 HG1 GLN 98 105.942 9.309 -1.065 837 HE21 GLN 98 HE21 GLN 98 105.047 7.571 0.111 838 HE22 GLN 98 HE22 GLN 98 105.607 7.076 1.634 839 H VAL 99 HN VAL 99 105.562 12.825 -1.047 840 HA VAL 99 HA VAL 99 103.912 11.359 -2.807 841 HB VAL 99 HB VAL 99 103.711 14.232 -1.874 842 HG11 VAL 99 HG11 VAL 99 101.840 12.424 -3.393 843 HG12 VAL 99 HG12 VAL 99 102.262 14.104 -3.723 844 HG13 VAL 99 HG13 VAL 99 101.211 13.710 -2.363 845 HG21 VAL 99 HG21 VAL 99 102.618 13.439 -0.005 846 HG22 VAL 99 HG22 VAL 99 103.683 12.063 -0.297 847 HG23 VAL 99 HG23 VAL 99 102.006 12.011 -0.840 848 H MET 100 HN MET 100 105.724 14.395 -3.281 849 HA MET 100 HA MET 100 104.926 14.782 -5.985 850 HB2 MET 100 HB2 MET 100 107.333 15.801 -4.457 851 HB3 MET 100 HB1 MET 100 106.844 16.370 -6.053 852 HG2 MET 100 HG2 MET 100 105.031 16.429 -3.627 853 HG3 MET 100 HG1 MET 100 106.004 17.804 -4.146 854 HE1 MET 100 HE1 MET 100 105.558 17.660 -7.639 855 HE2 MET 100 HE2 MET 100 106.138 18.646 -6.300 856 HE3 MET 100 HE3 MET 100 104.706 19.145 -7.194 857 H ALA 101 HN ALA 101 107.700 13.212 -4.477 858 HA ALA 101 HA ALA 101 109.004 12.620 -6.983 859 HB1 ALA 101 HB1 ALA 101 109.487 11.720 -4.129 860 HB2 ALA 101 HB2 ALA 101 110.438 12.868 -5.073 861 HB3 ALA 101 HB3 ALA 101 110.458 11.152 -5.493 862 H ALA 102 HN ALA 102 106.533 11.231 -5.134 863 HA ALA 102 HA ALA 102 106.890 8.530 -6.180 864 HB1 ALA 102 HB1 ALA 102 106.103 8.627 -3.921 865 HB2 ALA 102 HB2 ALA 102 104.739 8.095 -4.917 866 HB3 ALA 102 HB3 ALA 102 104.816 9.763 -4.356 867 H VAL 103 HN VAL 103 104.637 11.243 -6.524 868 HA VAL 103 HA VAL 103 102.669 10.250 -8.107 869 HB VAL 103 HB VAL 103 104.158 12.863 -8.298 870 HG11 VAL 103 HG11 VAL 103 102.053 13.518 -9.689 871 HG12 VAL 103 HG12 VAL 103 101.923 11.790 -10.013 872 HG13 VAL 103 HG13 VAL 103 103.368 12.674 -10.507 873 HG21 VAL 103 HG21 VAL 103 102.514 13.654 -6.914 874 HG22 VAL 103 HG22 VAL 103 102.365 11.954 -6.469 875 HG23 VAL 103 HG23 VAL 103 101.266 12.654 -7.658 876 H ALA 104 HN ALA 104 106.013 10.389 -8.887 877 HA ALA 104 HA ALA 104 106.176 10.543 -11.608 878 HB1 ALA 104 HB1 ALA 104 107.602 8.782 -9.631 879 HB2 ALA 104 HB2 ALA 104 108.209 10.193 -10.497 880 HB3 ALA 104 HB3 ALA 104 107.961 8.672 -11.354 881 H GLN 105 HN GLN 105 104.447 8.217 -9.788 882 HA GLN 105 HA GLN 105 104.465 5.974 -11.452 883 HB2 GLN 105 HB2 GLN 105 102.266 7.105 -9.711 884 HB3 GLN 105 HB1 GLN 105 102.177 5.529 -10.498 885 HG2 GLN 105 HG2 GLN 105 104.194 4.794 -9.327 886 HG3 GLN 105 HG1 GLN 105 104.370 6.385 -8.590 887 HE21 GLN 105 HE21 GLN 105 104.217 4.558 -6.679 888 HE22 GLN 105 HE22 GLN 105 102.663 4.415 -6.012 889 H THR 106 HN THR 106 102.493 8.914 -11.607 890 HA THR 106 HA THR 106 101.530 8.053 -14.273 891 HB THR 106 HB THR 106 100.172 9.905 -12.298 892 HG1 THR 106 HG1 THR 106 98.651 7.926 -12.706 893 HG21 THR 106 HG21 THR 106 98.254 9.495 -13.976 894 HG22 THR 106 HG22 THR 106 99.515 8.949 -15.082 895 HG23 THR 106 HG23 THR 106 99.537 10.602 -14.467 896 H GLU 107 HN GLU 107 102.095 9.281 -15.951 897 HA GLU 107 HA GLU 107 102.878 12.083 -15.485 898 HB2 GLU 107 HB2 GLU 107 104.493 10.007 -16.980 899 HB3 GLU 107 HB1 GLU 107 104.791 11.744 -17.072 900 HG2 GLU 107 HG2 GLU 107 105.163 11.847 -14.655 901 HG3 GLU 107 HG1 GLU 107 104.793 10.130 -14.502 902 H GLU 108 HN GLU 108 102.548 13.469 -17.243 903 HA GLU 108 HA GLU 108 100.409 12.804 -18.971 904 HB2 GLU 108 HB2 GLU 108 102.397 15.083 -19.000 905 HB3 GLU 108 HB1 GLU 108 101.030 14.975 -20.107 906 HG2 GLU 108 HG2 GLU 108 99.468 14.945 -18.229 907 HG3 GLU 108 HG1 GLU 108 100.809 14.942 -17.084 908 H ILE 109 HN ILE 109 100.426 11.672 -20.789 909 HA ILE 109 HA ILE 109 102.806 10.599 -21.898 910 HB ILE 109 HB ILE 109 101.295 9.759 -23.696 911 HG12 ILE 109 HG12 ILE 109 99.128 11.308 -22.224 912 HG13 ILE 109 HG11 ILE 109 99.842 11.835 -23.746 913 HG21 ILE 109 HG21 ILE 109 99.658 8.578 -22.082 914 HG22 ILE 109 HG22 ILE 109 100.426 9.515 -20.804 915 HG23 ILE 109 HG23 ILE 109 101.376 8.371 -21.756 916 HD11 ILE 109 HD11 ILE 109 98.549 10.416 -24.927 917 HD12 ILE 109 HD12 ILE 109 97.660 10.102 -23.436 918 HD13 ILE 109 HD13 ILE 109 99.004 9.058 -23.898 919 H LEU 110 HN LEU 110 101.216 13.586 -22.349 920 HA LEU 110 HA LEU 110 102.813 14.127 -24.782 921 HB2 LEU 110 HB2 LEU 110 100.982 15.900 -25.194 922 HB3 LEU 110 HB1 LEU 110 100.579 14.217 -25.507 923 HG LEU 110 HG LEU 110 99.658 14.142 -23.099 924 HD11 LEU 110 HD11 LEU 110 100.519 16.100 -22.086 925 HD12 LEU 110 HD12 LEU 110 98.821 16.461 -22.372 926 HD13 LEU 110 HD13 LEU 110 100.053 17.117 -23.449 927 HD21 LEU 110 HD21 LEU 110 97.512 15.088 -23.794 928 HD22 LEU 110 HD22 LEU 110 98.248 14.194 -25.122 929 HD23 LEU 110 HD23 LEU 110 98.303 15.956 -25.111 930 H LYS 111 HN LYS 111 103.897 14.437 -22.248 931 HA LYS 111 HA LYS 111 103.591 17.027 -21.156 932 HB2 LYS 111 HB2 LYS 111 105.876 16.520 -20.141 933 HB3 LYS 111 HB1 LYS 111 104.581 15.386 -19.759 934 HG2 LYS 111 HG2 LYS 111 105.362 13.863 -21.516 935 HG3 LYS 111 HG1 LYS 111 106.633 14.998 -21.966 936 HD2 LYS 111 HD2 LYS 111 107.579 14.799 -19.673 937 HD3 LYS 111 HD1 LYS 111 106.325 13.621 -19.280 938 HE2 LYS 111 HE2 LYS 111 107.134 12.142 -21.072 939 HE3 LYS 111 HE1 LYS 111 108.381 13.318 -21.487 940 HZ1 LYS 111 HZ1 LYS 111 108.569 12.879 -18.758 941 HZ2 LYS 111 HZ2 LYS 111 109.661 12.387 -19.963 942 HZ3 LYS 111 HZ3 LYS 111 108.412 11.347 -19.469 943 H SER 112 HN SER 112 105.706 15.681 -23.630 944 HA SER 112 HA SER 112 106.480 18.425 -24.352 945 HB2 SER 112 HB2 SER 112 108.327 16.056 -24.062 946 HB3 SER 112 HB1 SER 112 108.772 17.546 -24.889 947 HG SER 112 HG SER 112 109.173 17.209 -22.466 948 H ASN 113 HN ASN 113 107.481 18.489 -26.579 949 HA ASN 113 HA ASN 113 105.693 17.356 -28.458 950 HB2 ASN 113 HB2 ASN 113 106.857 19.437 -28.945 951 HB3 ASN 113 HB1 ASN 113 108.416 18.615 -28.870 952 HD21 ASN 113 HD21 ASN 113 106.254 19.786 -31.075 953 HD22 ASN 113 HD22 ASN 113 106.546 18.717 -32.360 954 H SER 114 HN SER 114 108.949 16.468 -27.425 955 HA SER 114 HA SER 114 109.646 14.571 -29.296 956 HB2 SER 114 HB2 SER 114 110.935 13.460 -27.496 957 HB3 SER 114 HB1 SER 114 111.135 15.209 -27.454 958 HG SER 114 HG SER 114 110.299 15.177 -25.535 959 H GLN 115 HN GLN 115 107.296 14.322 -26.702 960 HA GLN 115 HA GLN 115 106.894 11.585 -26.563 961 HB2 GLN 115 HB2 GLN 115 104.855 13.822 -26.420 962 HB3 GLN 115 HB1 GLN 115 104.551 12.155 -25.937 963 HG2 GLN 115 HG2 GLN 115 106.784 13.845 -24.787 964 HG3 GLN 115 HG1 GLN 115 105.198 13.689 -24.035 965 HE21 GLN 115 HE21 GLN 115 108.202 12.537 -23.611 966 HE22 GLN 115 HE22 GLN 115 107.863 10.950 -23.111 967 H THR 116 HN THR 116 105.995 10.083 -27.850 968 HA THR 116 HA THR 116 105.653 10.549 -30.612 969 HB THR 116 HB THR 116 104.363 8.249 -29.126 970 HG1 THR 116 HG1 THR 116 106.659 7.440 -29.800 971 HG21 THR 116 HG21 THR 116 104.178 8.728 -31.688 972 HG22 THR 116 HG22 THR 116 104.605 7.100 -31.159 973 HG23 THR 116 HG23 THR 116 105.859 8.198 -31.735 974 H ASP 117 HN ASP 117 103.279 10.240 -27.985 975 HA ASP 117 HA ASP 117 100.933 10.335 -29.487 976 HB2 ASP 117 HB2 ASP 117 101.528 11.434 -26.731 977 HB3 ASP 117 HB1 ASP 117 99.908 11.331 -27.417 978 H LEU 118 HN LEU 118 99.489 12.551 -28.644 979 HA LEU 118 HA LEU 118 100.178 14.460 -30.616 980 HB2 LEU 118 HB2 LEU 118 98.184 14.382 -28.370 981 HB3 LEU 118 HB1 LEU 118 98.423 15.864 -29.297 982 HG LEU 118 HG LEU 118 97.958 14.639 -31.386 983 HD11 LEU 118 HD11 LEU 118 96.885 12.280 -30.935 984 HD12 LEU 118 HD12 LEU 118 97.862 12.329 -29.468 985 HD13 LEU 118 HD13 LEU 118 98.639 12.431 -31.048 986 HD21 LEU 118 HD21 LEU 118 96.134 15.601 -29.757 987 HD22 LEU 118 HD22 LEU 118 95.733 13.903 -29.501 988 HD23 LEU 118 HD23 LEU 118 95.634 14.599 -31.119 989 H GLU 119 HN GLU 119 101.083 16.517 -30.441 990 HA GLU 119 HA GLU 119 103.116 16.891 -28.532 991 HB2 GLU 119 HB2 GLU 119 101.745 18.878 -30.362 992 HB3 GLU 119 HB1 GLU 119 103.227 19.203 -29.464 993 HG2 GLU 119 HG2 GLU 119 104.357 17.355 -30.618 994 HG3 GLU 119 HG1 GLU 119 102.871 16.971 -31.485 995 H HIS 120 HN HIS 120 103.298 18.622 -26.952 996 HA HIS 120 HA HIS 120 101.128 18.673 -25.134 997 HB2 HIS 120 HB2 HIS 120 103.531 18.938 -24.504 998 HB3 HIS 120 HB1 HIS 120 103.503 20.545 -25.229 999 HD1 HIS 120 HD1 HIS 120 101.896 18.561 -22.426 1000 HD2 HIS 120 HD2 HIS 120 102.345 22.528 -23.626 1001 HE1 HIS 120 HE1 HIS 120 101.013 19.988 -20.529 1002 HE2 HIS 120 HE2 HIS 120 101.282 22.409 -21.244 1003 H HIS 121 HN HIS 121 102.364 21.048 -27.461 1004 HA HIS 121 HA HIS 121 100.109 22.831 -26.836 1005 HB2 HIS 121 HB2 HIS 121 102.635 23.254 -28.449 1006 HB3 HIS 121 HB1 HIS 121 101.348 24.451 -28.303 1007 HD1 HIS 121 HD1 HIS 121 104.271 23.063 -26.523 1008 HD2 HIS 121 HD2 HIS 121 100.957 25.402 -25.561 1009 HE1 HIS 121 HE1 HIS 121 104.760 24.106 -24.267 1010 HE2 HIS 121 HE2 HIS 121 102.749 25.535 -23.667 1011 H HIS 122 HN HIS 122 98.422 23.042 -28.165 1012 HA HIS 122 HA HIS 122 98.646 22.336 -30.987 1013 HB2 HIS 122 HB2 HIS 122 96.702 20.809 -30.873 1014 HB3 HIS 122 HB1 HIS 122 98.080 20.197 -29.958 1015 HD1 HIS 122 HD1 HIS 122 97.993 20.673 -27.295 1016 HD2 HIS 122 HD2 HIS 122 94.397 21.160 -29.348 1017 HE1 HIS 122 HE1 HIS 122 96.163 20.674 -25.544 1018 HE2 HIS 122 HE2 HIS 122 93.964 20.970 -26.780 1019 H HIS 123 HN HIS 123 96.634 22.869 -32.178 1020 HA HIS 123 HA HIS 123 94.990 24.911 -30.825 1021 HB2 HIS 123 HB2 HIS 123 96.468 25.179 -33.442 1022 HB3 HIS 123 HB1 HIS 123 95.097 26.205 -33.022 1023 HD1 HIS 123 HD1 HIS 123 95.428 27.958 -31.170 1024 HD2 HIS 123 HD2 HIS 123 98.812 25.616 -31.836 1025 HE1 HIS 123 HE1 HIS 123 97.326 29.066 -29.910 1026 HE2 HIS 123 HE2 HIS 123 99.396 27.650 -30.306 1027 H HIS 124 HN HIS 124 92.867 24.959 -31.408 1028 HA HIS 124 HA HIS 124 91.971 23.360 -33.694 1029 HB2 HIS 124 HB2 HIS 124 91.994 21.871 -31.663 1030 HB3 HIS 124 HB1 HIS 124 90.808 22.952 -30.931 1031 HD1 HIS 124 HD1 HIS 124 91.196 21.055 -34.230 1032 HD2 HIS 124 HD2 HIS 124 88.227 22.200 -31.537 1033 HE1 HIS 124 HE1 HIS 124 89.027 20.075 -35.096 1034 HE2 HIS 124 HE2 HIS 124 87.207 20.765 -33.464 1035 H HIS 125 HN HIS 125 90.104 24.105 -34.615 1036 HA HIS 125 HA HIS 125 89.274 26.762 -33.946 1037 HB2 HIS 125 HB2 HIS 125 89.295 25.899 -36.270 1038 HB3 HIS 125 HB1 HIS 125 88.002 24.777 -35.846 1039 HD1 HIS 125 HD1 HIS 125 88.686 28.515 -35.979 1040 HD2 HIS 125 HD2 HIS 125 85.449 25.888 -35.939 1041 HE1 HIS 125 HE1 HIS 125 86.617 29.922 -36.369 1042 HE2 HIS 125 HE2 HIS 125 84.635 28.335 -36.348 Start of MODEL 2 1 H21 MYR 1 1H2 MYR 1 117.596 9.274 0.902 2 H22 MYR 1 2H2 MYR 1 116.825 9.987 2.146 3 H31 MYR 1 1H3 MYR 1 115.084 10.572 0.418 4 H32 MYR 1 2H3 MYR 1 115.754 9.364 -0.444 5 H41 MYR 1 1H4 MYR 1 114.918 7.796 0.861 6 H42 MYR 1 2H4 MYR 1 115.118 8.675 2.216 7 H51 MYR 1 1H5 MYR 1 113.190 10.017 1.434 8 H52 MYR 1 2H5 MYR 1 112.902 8.800 0.392 9 H61 MYR 1 1H6 MYR 1 112.618 7.288 2.155 10 H62 MYR 1 2H6 MYR 1 113.043 8.422 3.246 11 H71 MYR 1 1H7 MYR 1 111.054 9.630 2.734 12 H72 MYR 1 2H7 MYR 1 110.616 8.448 1.701 13 H81 MYR 1 1H8 MYR 1 110.892 7.108 3.935 14 H82 MYR 1 2H8 MYR 1 110.324 8.532 4.483 15 H91 MYR 1 1H9 MYR 1 108.316 8.259 3.486 16 H92 MYR 1 2H9 MYR 1 108.892 7.201 2.391 17 H101 MYR 1 1H10 MYR 1 109.017 6.259 5.036 18 H102 MYR 1 2H10 MYR 1 107.498 6.482 4.494 19 H111 MYR 1 1H11 MYR 1 108.538 5.122 2.500 20 H112 MYR 1 2H11 MYR 1 109.329 4.466 3.760 21 H121 MYR 1 1H12 MYR 1 107.350 3.776 4.751 22 H122 MYR 1 2H12 MYR 1 106.451 4.653 3.717 23 H131 MYR 1 1H13 MYR 1 107.143 3.223 1.925 24 H132 MYR 1 2H13 MYR 1 107.989 2.319 2.980 25 H141 MYR 1 1H14 MYR 1 106.099 1.123 2.872 26 H142 MYR 1 2H14 MYR 1 105.750 2.088 4.143 27 H143 MYR 1 3H14 MYR 1 105.161 2.444 2.662 28 H GLY 2 HN GLY 2 119.264 10.362 0.998 29 HA2 GLY 2 HA2 GLY 2 120.440 12.194 1.806 30 HA3 GLY 2 HA1 GLY 2 119.067 13.216 1.392 31 H GLN 3 HN GLN 3 119.083 14.324 3.360 32 HA GLN 3 HA GLN 3 119.198 13.199 5.916 33 HB2 GLN 3 HB2 GLN 3 117.712 15.675 5.003 34 HB3 GLN 3 HB1 GLN 3 118.105 15.280 6.677 35 HG2 GLN 3 HG2 GLN 3 120.140 15.633 4.458 36 HG3 GLN 3 HG1 GLN 3 119.753 16.850 5.673 37 HE21 GLN 3 HE21 GLN 3 122.151 14.782 5.037 38 HE22 GLN 3 HE22 GLN 3 122.572 14.280 6.604 39 H GLU 4 HN GLU 4 116.639 13.234 3.589 40 HA GLU 4 HA GLU 4 114.354 12.992 5.128 41 HB2 GLU 4 HB2 GLU 4 115.108 11.601 2.552 42 HB3 GLU 4 HB1 GLU 4 113.491 11.543 3.252 43 HG2 GLU 4 HG2 GLU 4 113.334 13.988 3.157 44 HG3 GLU 4 HG1 GLU 4 114.975 14.083 2.520 45 H LEU 5 HN LEU 5 117.008 10.808 4.840 46 HA LEU 5 HA LEU 5 116.051 8.314 5.313 47 HB2 LEU 5 HB2 LEU 5 118.470 8.986 5.257 48 HB3 LEU 5 HB1 LEU 5 118.302 9.533 6.926 49 HG LEU 5 HG LEU 5 117.496 7.227 7.527 50 HD11 LEU 5 HD11 LEU 5 116.750 6.139 5.640 51 HD12 LEU 5 HD12 LEU 5 118.413 5.552 5.636 52 HD13 LEU 5 HD13 LEU 5 117.951 6.902 4.599 53 HD21 LEU 5 HD21 LEU 5 119.697 7.355 8.150 54 HD22 LEU 5 HD22 LEU 5 120.215 7.937 6.569 55 HD23 LEU 5 HD23 LEU 5 119.916 6.217 6.820 56 H SER 6 HN SER 6 116.300 10.925 7.700 57 HA SER 6 HA SER 6 115.561 9.550 10.000 58 HB2 SER 6 HB2 SER 6 114.767 11.716 10.846 59 HB3 SER 6 HB1 SER 6 116.299 11.897 9.994 60 HG SER 6 HG SER 6 114.488 13.406 9.481 61 H GLN 7 HN GLN 7 113.577 10.733 7.348 62 HA GLN 7 HA GLN 7 111.038 10.540 8.473 63 HB2 GLN 7 HB2 GLN 7 111.510 11.459 6.220 64 HB3 GLN 7 HB1 GLN 7 111.828 9.824 5.641 65 HG2 GLN 7 HG2 GLN 7 109.558 9.141 6.137 66 HG3 GLN 7 HG1 GLN 7 109.219 10.686 6.915 67 HE21 GLN 7 HE21 GLN 7 107.842 9.531 4.534 68 HE22 GLN 7 HE22 GLN 7 108.065 10.654 3.281 69 H HIS 8 HN HIS 8 112.991 8.023 6.895 70 HA HIS 8 HA HIS 8 111.128 5.930 7.064 71 HB2 HIS 8 HB2 HIS 8 114.073 6.143 6.743 72 HB3 HIS 8 HB1 HIS 8 113.443 4.584 7.276 73 HD1 HIS 8 HD1 HIS 8 114.244 6.254 4.267 74 HD2 HIS 8 HD2 HIS 8 110.991 3.936 5.461 75 HE1 HIS 8 HE1 HIS 8 113.115 5.457 2.145 76 HE2 HIS 8 HE2 HIS 8 111.130 4.043 2.856 77 H GLU 9 HN GLU 9 113.751 6.835 9.304 78 HA GLU 9 HA GLU 9 113.517 4.937 11.250 79 HB2 GLU 9 HB2 GLU 9 115.108 6.846 11.308 80 HB3 GLU 9 HB1 GLU 9 113.778 7.907 11.776 81 HG2 GLU 9 HG2 GLU 9 113.387 6.552 13.791 82 HG3 GLU 9 HG1 GLU 9 114.694 5.466 13.323 83 H ARG 10 HN ARG 10 111.267 7.521 10.527 84 HA ARG 10 HA ARG 10 109.665 7.069 12.898 85 HB2 ARG 10 HB2 ARG 10 108.988 8.644 10.403 86 HB3 ARG 10 HB1 ARG 10 108.175 8.740 11.967 87 HG2 ARG 10 HG2 ARG 10 110.235 9.562 13.014 88 HG3 ARG 10 HG1 ARG 10 111.092 9.416 11.479 89 HD2 ARG 10 HD2 ARG 10 110.416 11.731 11.778 90 HD3 ARG 10 HD1 ARG 10 109.470 11.026 10.472 91 HE ARG 10 HE ARG 10 108.080 10.728 12.927 92 HH11 ARG 10 HH11 ARG 10 106.329 12.117 13.336 93 HH12 ARG 10 HH12 ARG 10 106.183 13.599 12.453 94 HH21 ARG 10 HH21 ARG 10 109.064 13.086 10.593 95 HH22 ARG 10 HH22 ARG 10 107.731 14.148 10.899 96 H TYR 11 HN TYR 11 109.463 6.329 9.436 97 HA TYR 11 HA TYR 11 106.931 5.175 9.348 98 HB2 TYR 11 HB2 TYR 11 108.130 5.541 7.305 99 HB3 TYR 11 HB1 TYR 11 109.451 4.496 7.825 100 HD1 TYR 11 HD1 TYR 11 109.403 2.183 7.375 101 HD2 TYR 11 HD2 TYR 11 105.790 4.487 7.067 102 HE1 TYR 11 HE1 TYR 11 108.233 0.220 6.411 103 HE2 TYR 11 HE2 TYR 11 104.620 2.524 6.104 104 HH TYR 11 HH TYR 11 105.040 -0.139 6.293 105 H VAL 12 HN VAL 12 110.058 3.621 10.055 106 HA VAL 12 HA VAL 12 109.058 1.016 10.438 107 HB VAL 12 HB VAL 12 111.511 2.430 11.481 108 HG11 VAL 12 HG11 VAL 12 110.522 -0.384 11.954 109 HG12 VAL 12 HG12 VAL 12 111.142 0.773 13.133 110 HG13 VAL 12 HG13 VAL 12 112.242 0.003 11.989 111 HG21 VAL 12 HG21 VAL 12 110.989 1.621 8.985 112 HG22 VAL 12 HG22 VAL 12 111.506 0.069 9.645 113 HG23 VAL 12 HG23 VAL 12 112.598 1.454 9.687 114 H GLU 13 HN GLU 13 109.866 3.522 12.851 115 HA GLU 13 HA GLU 13 108.917 2.062 15.083 116 HB2 GLU 13 HB2 GLU 13 110.461 3.982 15.268 117 HB3 GLU 13 HB1 GLU 13 109.166 5.061 14.747 118 HG2 GLU 13 HG2 GLU 13 107.821 4.450 16.689 119 HG3 GLU 13 HG1 GLU 13 109.032 3.272 17.191 120 H GLN 14 HN GLN 14 107.389 4.424 12.935 121 HA GLN 14 HA GLN 14 104.958 4.621 14.417 122 HB2 GLN 14 HB2 GLN 14 105.740 6.330 12.779 123 HB3 GLN 14 HB1 GLN 14 105.418 5.182 11.479 124 HG2 GLN 14 HG2 GLN 14 103.507 6.687 11.741 125 HG3 GLN 14 HG1 GLN 14 103.048 5.051 12.208 126 HE21 GLN 14 HE21 GLN 14 101.539 5.408 13.875 127 HE22 GLN 14 HE22 GLN 14 101.855 6.340 15.258 128 H LEU 15 HN LEU 15 105.273 3.357 11.107 129 HA LEU 15 HA LEU 15 103.013 1.960 10.799 130 HB2 LEU 15 HB2 LEU 15 105.275 1.993 9.396 131 HB3 LEU 15 HB1 LEU 15 105.478 0.412 10.151 132 HG LEU 15 HG LEU 15 104.309 0.149 8.021 133 HD11 LEU 15 HD11 LEU 15 102.188 -0.118 10.147 134 HD12 LEU 15 HD12 LEU 15 103.631 -1.131 10.180 135 HD13 LEU 15 HD13 LEU 15 102.538 -1.198 8.798 136 HD21 LEU 15 HD21 LEU 15 103.226 2.619 8.594 137 HD22 LEU 15 HD22 LEU 15 101.860 1.540 8.882 138 HD23 LEU 15 HD23 LEU 15 102.663 1.548 7.311 139 H LYS 16 HN LYS 16 105.831 0.726 12.591 140 HA LYS 16 HA LYS 16 104.694 -1.750 13.329 141 HB2 LYS 16 HB2 LYS 16 106.891 -0.055 14.508 142 HB3 LYS 16 HB1 LYS 16 106.410 -1.588 15.236 143 HG2 LYS 16 HG2 LYS 16 106.833 -2.742 13.097 144 HG3 LYS 16 HG1 LYS 16 107.315 -1.211 12.365 145 HD2 LYS 16 HD2 LYS 16 109.354 -2.259 13.007 146 HD3 LYS 16 HD1 LYS 16 109.053 -1.040 14.245 147 HE2 LYS 16 HE2 LYS 16 109.034 -2.631 15.831 148 HE3 LYS 16 HE1 LYS 16 107.705 -3.448 15.007 149 HZ1 LYS 16 HZ1 LYS 16 109.079 -5.003 14.265 150 HZ2 LYS 16 HZ2 LYS 16 110.284 -4.356 15.272 151 HZ3 LYS 16 HZ3 LYS 16 110.168 -3.858 13.651 152 H GLN 17 HN GLN 17 104.712 1.418 14.923 153 HA GLN 17 HA GLN 17 103.326 0.586 17.264 154 HB2 GLN 17 HB2 GLN 17 103.864 3.231 15.949 155 HB3 GLN 17 HB1 GLN 17 102.743 3.130 17.309 156 HG2 GLN 17 HG2 GLN 17 104.457 2.144 18.718 157 HG3 GLN 17 HG1 GLN 17 105.575 2.051 17.357 158 HE21 GLN 17 HE21 GLN 17 106.730 3.436 19.279 159 HE22 GLN 17 HE22 GLN 17 106.592 5.117 19.081 160 H ALA 18 HN ALA 18 102.170 2.463 14.449 161 HA ALA 18 HA ALA 18 99.463 2.459 15.003 162 HB1 ALA 18 HB1 ALA 18 100.485 2.024 12.205 163 HB2 ALA 18 HB2 ALA 18 100.751 3.552 13.046 164 HB3 ALA 18 HB3 ALA 18 99.109 2.988 12.741 165 H LEU 19 HN LEU 19 101.466 -0.207 14.281 166 HA LEU 19 HA LEU 19 99.316 -1.908 13.309 167 HB2 LEU 19 HB2 LEU 19 102.245 -2.092 13.580 168 HB3 LEU 19 HB1 LEU 19 101.379 -3.600 13.879 169 HG LEU 19 HG LEU 19 100.840 -1.869 11.457 170 HD11 LEU 19 HD11 LEU 19 102.400 -3.108 10.203 171 HD12 LEU 19 HD12 LEU 19 102.514 -4.376 11.423 172 HD13 LEU 19 HD13 LEU 19 103.258 -2.803 11.714 173 HD21 LEU 19 HD21 LEU 19 99.521 -4.070 12.595 174 HD22 LEU 19 HD22 LEU 19 100.436 -4.744 11.246 175 HD23 LEU 19 HD23 LEU 19 99.287 -3.434 10.966 176 H LYS 20 HN LYS 20 101.404 -1.727 16.192 177 HA LYS 20 HA LYS 20 100.486 -3.810 17.696 178 HB2 LYS 20 HB2 LYS 20 102.221 -2.171 18.414 179 HB3 LYS 20 HB1 LYS 20 100.937 -1.012 18.762 180 HG2 LYS 20 HG2 LYS 20 99.966 -2.514 20.415 181 HG3 LYS 20 HG1 LYS 20 101.136 -3.769 20.007 182 HD2 LYS 20 HD2 LYS 20 102.973 -2.243 20.713 183 HD3 LYS 20 HD1 LYS 20 101.764 -1.056 21.205 184 HE2 LYS 20 HE2 LYS 20 101.911 -3.884 22.289 185 HE3 LYS 20 HE1 LYS 20 102.589 -2.474 23.104 186 HZ1 LYS 20 HZ1 LYS 20 100.138 -3.326 23.549 187 HZ2 LYS 20 HZ2 LYS 20 99.810 -2.296 22.238 188 HZ3 LYS 20 HZ3 LYS 20 100.554 -1.684 23.637 189 H THR 21 HN THR 21 98.817 -0.795 17.001 190 HA THR 21 HA THR 21 96.737 -1.007 18.888 191 HB THR 21 HB THR 21 97.353 0.971 17.347 192 HG1 THR 21 HG1 THR 21 95.397 1.758 17.755 193 HG21 THR 21 HG21 THR 21 95.260 -0.148 15.523 194 HG22 THR 21 HG22 THR 21 96.929 -0.681 15.319 195 HG23 THR 21 HG23 THR 21 96.527 1.030 15.183 196 H ARG 22 HN ARG 22 97.219 -2.484 15.742 197 HA ARG 22 HA ARG 22 94.534 -3.483 15.501 198 HB2 ARG 22 HB2 ARG 22 97.120 -4.070 14.061 199 HB3 ARG 22 HB1 ARG 22 95.629 -4.945 13.707 200 HG2 ARG 22 HG2 ARG 22 94.490 -2.792 13.246 201 HG3 ARG 22 HG1 ARG 22 96.003 -1.940 13.552 202 HD2 ARG 22 HD2 ARG 22 97.077 -3.186 11.712 203 HD3 ARG 22 HD1 ARG 22 95.565 -4.033 11.404 204 HE ARG 22 HE ARG 22 96.166 -1.251 10.747 205 HH11 ARG 22 HH11 ARG 22 94.617 -0.254 9.417 206 HH12 ARG 22 HH12 ARG 22 93.094 -1.030 9.139 207 HH21 ARG 22 HH21 ARG 22 93.837 -3.786 11.109 208 HH22 ARG 22 HH22 ARG 22 92.652 -3.029 10.096 209 H GLY 23 HN GLY 23 97.146 -4.331 17.430 210 HA2 GLY 23 HA2 GLY 23 96.852 -6.026 19.124 211 HA3 GLY 23 HA1 GLY 23 95.956 -6.983 17.948 212 H VAL 24 HN VAL 24 98.918 -5.312 17.131 213 HA VAL 24 HA VAL 24 100.218 -7.931 16.731 214 HB VAL 24 HB VAL 24 101.145 -5.321 15.550 215 HG11 VAL 24 HG11 VAL 24 101.923 -6.971 13.770 216 HG12 VAL 24 HG12 VAL 24 101.466 -8.257 14.888 217 HG13 VAL 24 HG13 VAL 24 102.728 -7.107 15.333 218 HG21 VAL 24 HG21 VAL 24 99.011 -5.307 14.643 219 HG22 VAL 24 HG22 VAL 24 98.828 -7.056 14.786 220 HG23 VAL 24 HG23 VAL 24 99.817 -6.375 13.494 221 H LYS 25 HN LYS 25 102.653 -7.863 16.969 222 HA LYS 25 HA LYS 25 103.358 -6.300 19.380 223 HB2 LYS 25 HB2 LYS 25 104.311 -9.022 18.462 224 HB3 LYS 25 HB1 LYS 25 105.005 -8.138 19.821 225 HG2 LYS 25 HG2 LYS 25 102.801 -8.092 20.927 226 HG3 LYS 25 HG1 LYS 25 102.100 -8.972 19.568 227 HD2 LYS 25 HD2 LYS 25 103.640 -10.859 20.001 228 HD3 LYS 25 HD1 LYS 25 104.317 -9.984 21.375 229 HE2 LYS 25 HE2 LYS 25 102.078 -9.940 22.437 230 HE3 LYS 25 HE1 LYS 25 101.426 -10.855 21.077 231 HZ1 LYS 25 HZ1 LYS 25 103.270 -12.516 21.632 232 HZ2 LYS 25 HZ2 LYS 25 101.908 -12.469 22.646 233 HZ3 LYS 25 HZ3 LYS 25 103.357 -11.727 23.130 234 H VAL 26 HN VAL 26 105.292 -5.210 19.438 235 HA VAL 26 HA VAL 26 106.786 -5.102 16.886 236 HB VAL 26 HB VAL 26 107.306 -2.774 17.419 237 HG11 VAL 26 HG11 VAL 26 105.071 -1.845 17.130 238 HG12 VAL 26 HG12 VAL 26 104.343 -3.326 17.754 239 HG13 VAL 26 HG13 VAL 26 105.192 -3.344 16.208 240 HG21 VAL 26 HG21 VAL 26 107.340 -2.298 19.640 241 HG22 VAL 26 HG22 VAL 26 106.219 -3.605 20.024 242 HG23 VAL 26 HG23 VAL 26 105.603 -2.050 19.464 243 H LYS 27 HN LYS 27 108.297 -6.685 17.460 244 HA LYS 27 HA LYS 27 110.021 -6.042 19.773 245 HB2 LYS 27 HB2 LYS 27 108.807 -8.364 19.423 246 HB3 LYS 27 HB1 LYS 27 110.166 -8.664 18.340 247 HG2 LYS 27 HG2 LYS 27 111.605 -7.761 20.344 248 HG3 LYS 27 HG1 LYS 27 110.184 -8.176 21.304 249 HD2 LYS 27 HD2 LYS 27 111.681 -10.066 19.462 250 HD3 LYS 27 HD1 LYS 27 111.769 -10.065 21.224 251 HE2 LYS 27 HE2 LYS 27 109.255 -10.406 21.243 252 HE3 LYS 27 HE1 LYS 27 109.353 -10.672 19.503 253 HZ1 LYS 27 HZ1 LYS 27 109.452 -12.727 20.880 254 HZ2 LYS 27 HZ2 LYS 27 110.948 -12.196 21.485 255 HZ3 LYS 27 HZ3 LYS 27 110.767 -12.528 19.828 256 H TYR 28 HN TYR 28 112.351 -6.564 19.465 257 HA TYR 28 HA TYR 28 113.412 -5.189 17.231 258 HB2 TYR 28 HB2 TYR 28 114.729 -7.026 19.242 259 HB3 TYR 28 HB1 TYR 28 115.610 -6.060 18.058 260 HD1 TYR 28 HD1 TYR 28 115.689 -3.622 18.218 261 HD2 TYR 28 HD2 TYR 28 113.547 -5.973 21.106 262 HE1 TYR 28 HE1 TYR 28 115.554 -1.654 19.721 263 HE2 TYR 28 HE2 TYR 28 113.412 -4.004 22.609 264 HH TYR 28 HH TYR 28 115.269 -1.466 22.481 265 H ALA 29 HN ALA 29 112.918 -8.608 17.926 266 HA ALA 29 HA ALA 29 114.412 -9.680 15.789 267 HB1 ALA 29 HB1 ALA 29 113.471 -11.708 16.354 268 HB2 ALA 29 HB2 ALA 29 111.883 -11.005 16.664 269 HB3 ALA 29 HB3 ALA 29 113.179 -10.812 17.845 270 H ASP 30 HN ASP 30 111.386 -8.029 15.880 271 HA ASP 30 HA ASP 30 110.331 -9.084 13.425 272 HB2 ASP 30 HB2 ASP 30 109.637 -6.533 14.900 273 HB3 ASP 30 HB1 ASP 30 108.688 -7.277 13.615 274 H LEU 31 HN LEU 31 112.217 -6.244 14.357 275 HA LEU 31 HA LEU 31 112.131 -4.885 11.888 276 HB2 LEU 31 HB2 LEU 31 114.052 -4.893 14.200 277 HB3 LEU 31 HB1 LEU 31 114.410 -3.970 12.741 278 HG LEU 31 HG LEU 31 111.791 -3.288 13.196 279 HD11 LEU 31 HD11 LEU 31 111.432 -2.923 15.518 280 HD12 LEU 31 HD12 LEU 31 113.118 -3.263 15.910 281 HD13 LEU 31 HD13 LEU 31 112.048 -4.573 15.409 282 HD21 LEU 31 HD21 LEU 31 114.288 -1.947 14.284 283 HD22 LEU 31 HD22 LEU 31 112.732 -1.154 14.041 284 HD23 LEU 31 HD23 LEU 31 113.642 -1.755 12.655 285 H LEU 32 HN LEU 32 114.331 -7.366 13.139 286 HA LEU 32 HA LEU 32 116.273 -7.321 11.149 287 HB2 LEU 32 HB2 LEU 32 115.217 -9.821 12.485 288 HB3 LEU 32 HB1 LEU 32 116.830 -9.561 11.821 289 HG LEU 32 HG LEU 32 115.626 -8.037 14.151 290 HD11 LEU 32 HD11 LEU 32 117.913 -10.025 14.130 291 HD12 LEU 32 HD12 LEU 32 116.260 -10.450 14.576 292 HD13 LEU 32 HD13 LEU 32 117.160 -9.278 15.539 293 HD21 LEU 32 HD21 LEU 32 118.197 -7.831 12.604 294 HD22 LEU 32 HD22 LEU 32 118.171 -7.401 14.314 295 HD23 LEU 32 HD23 LEU 32 117.137 -6.541 13.172 296 H LYS 33 HN LYS 33 113.363 -9.389 11.283 297 HA LYS 33 HA LYS 33 113.773 -10.392 8.624 298 HB2 LYS 33 HB2 LYS 33 112.616 -11.696 10.389 299 HB3 LYS 33 HB1 LYS 33 111.299 -10.522 10.364 300 HG2 LYS 33 HG2 LYS 33 110.816 -11.038 8.037 301 HG3 LYS 33 HG1 LYS 33 112.217 -12.106 7.948 302 HD2 LYS 33 HD2 LYS 33 111.219 -13.582 9.643 303 HD3 LYS 33 HD1 LYS 33 109.826 -12.507 9.769 304 HE2 LYS 33 HE2 LYS 33 109.280 -12.910 7.407 305 HE3 LYS 33 HE1 LYS 33 110.691 -13.955 7.249 306 HZ1 LYS 33 HZ1 LYS 33 108.539 -14.447 9.223 307 HZ2 LYS 33 HZ2 LYS 33 109.774 -15.509 8.740 308 HZ3 LYS 33 HZ3 LYS 33 108.522 -15.110 7.663 309 H PHE 34 HN PHE 34 111.427 -8.149 10.099 310 HA PHE 34 HA PHE 34 109.960 -7.594 7.774 311 HB2 PHE 34 HB2 PHE 34 109.239 -6.979 10.067 312 HB3 PHE 34 HB1 PHE 34 110.491 -5.737 10.107 313 HD1 PHE 34 HD1 PHE 34 110.112 -3.608 9.162 314 HD2 PHE 34 HD2 PHE 34 107.495 -6.872 8.184 315 HE1 PHE 34 HE1 PHE 34 108.596 -2.040 7.982 316 HE2 PHE 34 HE2 PHE 34 105.980 -5.303 7.003 317 HZ PHE 34 HZ PHE 34 106.531 -2.887 6.902 318 H PHE 35 HN PHE 35 112.864 -6.062 9.107 319 HA PHE 35 HA PHE 35 112.918 -3.936 7.191 320 HB2 PHE 35 HB2 PHE 35 114.034 -4.039 9.523 321 HB3 PHE 35 HB1 PHE 35 115.322 -4.926 8.707 322 HD1 PHE 35 HD1 PHE 35 116.324 -3.856 6.566 323 HD2 PHE 35 HD2 PHE 35 113.989 -1.690 9.449 324 HE1 PHE 35 HE1 PHE 35 117.262 -1.721 5.722 325 HE2 PHE 35 HE2 PHE 35 114.927 0.445 8.605 326 HZ PHE 35 HZ PHE 35 116.564 0.430 6.742 327 H ASP 36 HN ASP 36 114.701 -6.995 7.540 328 HA ASP 36 HA ASP 36 116.144 -6.628 5.073 329 HB2 ASP 36 HB2 ASP 36 115.805 -9.010 6.904 330 HB3 ASP 36 HB1 ASP 36 116.829 -9.013 5.470 331 H PHE 37 HN PHE 37 113.065 -7.863 5.974 332 HA PHE 37 HA PHE 37 112.631 -9.771 3.952 333 HB2 PHE 37 HB2 PHE 37 110.989 -9.826 5.581 334 HB3 PHE 37 HB1 PHE 37 110.865 -8.069 5.665 335 HD1 PHE 37 HD1 PHE 37 110.675 -10.516 2.824 336 HD2 PHE 37 HD2 PHE 37 108.726 -7.388 5.031 337 HE1 PHE 37 HE1 PHE 37 108.779 -10.571 1.227 338 HE2 PHE 37 HE2 PHE 37 106.829 -7.444 3.434 339 HZ PHE 37 HZ PHE 37 106.856 -9.036 1.533 340 H VAL 38 HN VAL 38 111.780 -6.306 4.050 341 HA VAL 38 HA VAL 38 110.909 -6.293 1.307 342 HB VAL 38 HB VAL 38 111.010 -3.732 1.741 343 HG11 VAL 38 HG11 VAL 38 108.918 -3.900 3.122 344 HG12 VAL 38 HG12 VAL 38 109.244 -5.621 3.325 345 HG13 VAL 38 HG13 VAL 38 108.920 -4.967 1.719 346 HG21 VAL 38 HG21 VAL 38 112.476 -4.494 3.911 347 HG22 VAL 38 HG22 VAL 38 110.867 -4.397 4.625 348 HG23 VAL 38 HG23 VAL 38 111.565 -2.986 3.830 349 H LYS 39 HN LYS 39 113.844 -5.445 3.052 350 HA LYS 39 HA LYS 39 115.155 -4.061 0.964 351 HB2 LYS 39 HB2 LYS 39 115.785 -4.215 3.462 352 HB3 LYS 39 HB1 LYS 39 116.585 -5.727 3.025 353 HG2 LYS 39 HG2 LYS 39 117.945 -4.556 1.356 354 HG3 LYS 39 HG1 LYS 39 117.117 -3.042 1.719 355 HD2 LYS 39 HD2 LYS 39 117.940 -3.143 4.043 356 HD3 LYS 39 HD1 LYS 39 118.772 -4.656 3.682 357 HE2 LYS 39 HE2 LYS 39 120.114 -3.495 1.953 358 HE3 LYS 39 HE1 LYS 39 119.303 -1.981 2.354 359 HZ1 LYS 39 HZ1 LYS 39 121.574 -2.690 3.464 360 HZ2 LYS 39 HZ2 LYS 39 120.524 -3.474 4.546 361 HZ3 LYS 39 HZ3 LYS 39 120.405 -1.796 4.308 362 H ASP 40 HN ASP 40 114.773 -7.464 1.696 363 HA ASP 40 HA ASP 40 116.830 -8.601 0.225 364 HB2 ASP 40 HB2 ASP 40 114.025 -9.490 0.834 365 HB3 ASP 40 HB1 ASP 40 115.070 -10.470 -0.193 366 H THR 41 HN THR 41 113.614 -7.580 -0.902 367 HA THR 41 HA THR 41 114.597 -7.836 -3.680 368 HB THR 41 HB THR 41 112.101 -7.858 -4.233 369 HG1 THR 41 HG1 THR 41 110.860 -8.629 -2.397 370 HG21 THR 41 HG21 THR 41 111.956 -10.302 -3.186 371 HG22 THR 41 HG22 THR 41 113.662 -10.000 -2.857 372 HG23 THR 41 HG23 THR 41 113.059 -9.939 -4.513 373 H CYS 42 HN CYS 42 113.915 -5.635 -1.280 374 HA CYS 42 HA CYS 42 113.234 -3.409 -1.258 375 HB2 CYS 42 HB2 CYS 42 114.646 -2.063 -2.861 376 HB3 CYS 42 HB1 CYS 42 115.550 -3.184 -1.841 377 HG CYS 42 HG CYS 42 115.238 -3.396 -4.886 378 HA PRO 43 HA PRO 43 110.388 -3.773 -4.949 379 HB2 PRO 43 HB2 PRO 43 108.095 -4.488 -3.670 380 HB3 PRO 43 HB1 PRO 43 109.288 -5.673 -4.237 381 HG2 PRO 43 HG2 PRO 43 108.756 -4.690 -1.499 382 HG3 PRO 43 HG1 PRO 43 109.318 -6.278 -2.045 383 HD2 PRO 43 HD2 PRO 43 110.967 -4.260 -0.949 384 HD3 PRO 43 HD1 PRO 43 111.515 -5.681 -1.865 385 H TRP 44 HN TRP 44 109.703 -2.544 -1.689 386 HA TRP 44 HA TRP 44 107.842 -0.546 -2.601 387 HB2 TRP 44 HB2 TRP 44 108.878 -1.513 -0.047 388 HB3 TRP 44 HB1 TRP 44 108.695 0.240 -0.085 389 HD1 TRP 44 HD1 TRP 44 106.186 0.763 -1.657 390 HE1 TRP 44 HE1 TRP 44 103.870 -0.097 -0.918 391 HE3 TRP 44 HE3 TRP 44 107.602 -3.076 1.398 392 HZ2 TRP 44 HZ2 TRP 44 102.765 -2.143 0.748 393 HZ3 TRP 44 HZ3 TRP 44 105.900 -4.462 2.546 394 HH2 TRP 44 HH2 TRP 44 103.485 -4.002 2.226 395 H PHE 45 HN PHE 45 110.996 -0.779 -3.185 396 HA PHE 45 HA PHE 45 112.691 0.691 -3.681 397 HB2 PHE 45 HB2 PHE 45 110.498 2.768 -3.814 398 HB3 PHE 45 HB1 PHE 45 112.045 2.779 -4.662 399 HD1 PHE 45 HD1 PHE 45 108.660 2.189 -5.111 400 HD2 PHE 45 HD2 PHE 45 112.472 0.412 -5.983 401 HE1 PHE 45 HE1 PHE 45 107.641 0.925 -6.985 402 HE2 PHE 45 HE2 PHE 45 111.454 -0.852 -7.857 403 HZ PHE 45 HZ PHE 45 109.039 -0.596 -8.360 404 HA PRO 46 HA PRO 46 112.179 2.138 0.869 405 HB2 PRO 46 HB2 PRO 46 114.721 0.978 1.380 406 HB3 PRO 46 HB1 PRO 46 113.140 0.359 1.893 407 HG2 PRO 46 HG2 PRO 46 114.801 -0.397 -0.438 408 HG3 PRO 46 HG1 PRO 46 113.707 -1.385 0.544 409 HD2 PRO 46 HD2 PRO 46 113.055 -0.619 -1.937 410 HD3 PRO 46 HD1 PRO 46 111.816 -0.689 -0.666 411 H GLN 47 HN GLN 47 114.200 2.574 -1.820 412 HA GLN 47 HA GLN 47 116.257 4.194 -0.764 413 HB2 GLN 47 HB2 GLN 47 115.002 4.342 -3.515 414 HB3 GLN 47 HB1 GLN 47 116.595 4.944 -3.053 415 HG2 GLN 47 HG2 GLN 47 115.716 2.046 -2.902 416 HG3 GLN 47 HG1 GLN 47 116.736 2.732 -4.165 417 HE21 GLN 47 HE21 GLN 47 117.035 0.873 -1.502 418 HE22 GLN 47 HE22 GLN 47 118.548 1.389 -0.932 419 H GLU 48 HN GLU 48 113.266 5.171 -2.459 420 HA GLU 48 HA GLU 48 113.526 7.862 -1.324 421 HB2 GLU 48 HB2 GLU 48 112.990 7.484 -3.766 422 HB3 GLU 48 HB1 GLU 48 111.427 6.852 -3.249 423 HG2 GLU 48 HG2 GLU 48 111.119 9.188 -3.752 424 HG3 GLU 48 HG1 GLU 48 111.062 9.015 -1.999 425 H GLY 49 HN GLY 49 111.962 4.921 -0.691 426 HA2 GLY 49 HA2 GLY 49 110.454 4.307 0.938 427 HA3 GLY 49 HA1 GLY 49 110.626 5.926 1.607 428 H THR 50 HN THR 50 108.803 3.887 -0.560 429 HA THR 50 HA THR 50 106.629 5.869 -0.526 430 HB THR 50 HB THR 50 107.885 6.063 -2.689 431 HG1 THR 50 HG1 THR 50 105.220 5.367 -2.398 432 HG21 THR 50 HG21 THR 50 107.742 4.228 -4.288 433 HG22 THR 50 HG22 THR 50 106.839 3.252 -3.129 434 HG23 THR 50 HG23 THR 50 108.527 3.656 -2.815 435 H ILE 51 HN ILE 51 104.548 4.851 -1.323 436 HA ILE 51 HA ILE 51 104.439 2.006 -0.518 437 HB ILE 51 HB ILE 51 102.064 3.798 -0.219 438 HG12 ILE 51 HG12 ILE 51 104.587 3.863 1.406 439 HG13 ILE 51 HG11 ILE 51 103.513 5.190 0.960 440 HG21 ILE 51 HG21 ILE 51 102.210 1.232 0.167 441 HG22 ILE 51 HG22 ILE 51 101.427 2.212 1.406 442 HG23 ILE 51 HG23 ILE 51 103.083 1.653 1.639 443 HD11 ILE 51 HD11 ILE 51 103.072 4.855 3.258 444 HD12 ILE 51 HD12 ILE 51 103.120 3.099 3.099 445 HD13 ILE 51 HD13 ILE 51 101.757 4.007 2.446 446 H ASP 52 HN ASP 52 103.304 0.622 -1.799 447 HA ASP 52 HA ASP 52 101.661 1.704 -3.975 448 HB2 ASP 52 HB2 ASP 52 104.007 1.426 -4.831 449 HB3 ASP 52 HB1 ASP 52 103.869 -0.297 -4.486 450 H ILE 53 HN ILE 53 99.797 0.638 -3.974 451 HA ILE 53 HA ILE 53 99.412 -1.760 -2.462 452 HB ILE 53 HB ILE 53 97.547 -0.526 -4.500 453 HG12 ILE 53 HG12 ILE 53 98.202 1.183 -2.893 454 HG13 ILE 53 HG11 ILE 53 96.573 0.634 -2.497 455 HG21 ILE 53 HG21 ILE 53 96.040 -2.052 -3.793 456 HG22 ILE 53 HG22 ILE 53 96.422 -1.742 -2.100 457 HG23 ILE 53 HG23 ILE 53 97.386 -2.894 -3.026 458 HD11 ILE 53 HD11 ILE 53 97.811 -1.076 -0.946 459 HD12 ILE 53 HD12 ILE 53 97.617 0.592 -0.405 460 HD13 ILE 53 HD13 ILE 53 99.158 0.055 -1.076 461 H LYS 54 HN LYS 54 99.627 -1.009 -5.920 462 HA LYS 54 HA LYS 54 98.974 -3.589 -6.874 463 HB2 LYS 54 HB2 LYS 54 98.967 -1.573 -8.299 464 HB3 LYS 54 HB1 LYS 54 100.723 -1.478 -8.161 465 HG2 LYS 54 HG2 LYS 54 100.957 -3.670 -9.224 466 HG3 LYS 54 HG1 LYS 54 99.204 -3.843 -9.299 467 HD2 LYS 54 HD2 LYS 54 99.067 -1.847 -10.749 468 HD3 LYS 54 HD1 LYS 54 100.823 -1.683 -10.683 469 HE2 LYS 54 HE2 LYS 54 101.077 -3.907 -11.716 470 HE3 LYS 54 HE1 LYS 54 99.323 -4.082 -11.776 471 HZ1 LYS 54 HZ1 LYS 54 100.433 -3.270 -13.867 472 HZ2 LYS 54 HZ2 LYS 54 100.741 -1.814 -13.046 473 HZ3 LYS 54 HZ3 LYS 54 99.141 -2.326 -13.302 474 H ARG 55 HN ARG 55 102.149 -2.024 -6.412 475 HA ARG 55 HA ARG 55 103.693 -4.283 -7.110 476 HB2 ARG 55 HB2 ARG 55 104.312 -1.722 -6.684 477 HB3 ARG 55 HB1 ARG 55 104.747 -2.357 -5.097 478 HG2 ARG 55 HG2 ARG 55 106.250 -3.978 -6.089 479 HG3 ARG 55 HG1 ARG 55 105.716 -3.541 -7.713 480 HD2 ARG 55 HD2 ARG 55 107.032 -1.600 -5.797 481 HD3 ARG 55 HD1 ARG 55 107.907 -2.496 -7.035 482 HE ARG 55 HE ARG 55 106.288 -0.172 -7.452 483 HH11 ARG 55 HH11 ARG 55 105.996 0.499 -9.603 484 HH12 ARG 55 HH12 ARG 55 106.332 -0.599 -10.899 485 HH21 ARG 55 HH21 ARG 55 107.279 -3.198 -8.809 486 HH22 ARG 55 HH22 ARG 55 107.059 -2.692 -10.450 487 H TRP 56 HN TRP 56 102.368 -3.162 -4.033 488 HA TRP 56 HA TRP 56 103.699 -4.874 -2.281 489 HB2 TRP 56 HB2 TRP 56 102.369 -3.203 -1.290 490 HB3 TRP 56 HB1 TRP 56 100.948 -3.650 -2.235 491 HD1 TRP 56 HD1 TRP 56 99.230 -4.815 -0.787 492 HE1 TRP 56 HE1 TRP 56 99.283 -6.490 1.171 493 HE3 TRP 56 HE3 TRP 56 104.277 -5.330 -0.204 494 HZ2 TRP 56 HZ2 TRP 56 101.211 -7.866 2.775 495 HZ3 TRP 56 HZ3 TRP 56 105.194 -6.828 1.546 496 HH2 TRP 56 HH2 TRP 56 103.669 -8.095 3.035 497 H ARG 57 HN ARG 57 100.880 -5.450 -4.328 498 HA ARG 57 HA ARG 57 100.201 -7.997 -3.284 499 HB2 ARG 57 HB2 ARG 57 98.674 -6.658 -4.689 500 HB3 ARG 57 HB1 ARG 57 99.745 -6.901 -6.070 501 HG2 ARG 57 HG2 ARG 57 99.428 -9.341 -5.894 502 HG3 ARG 57 HG1 ARG 57 98.359 -9.103 -4.510 503 HD2 ARG 57 HD2 ARG 57 96.891 -7.685 -5.984 504 HD3 ARG 57 HD1 ARG 57 97.902 -8.153 -7.349 505 HE ARG 57 HE ARG 57 96.016 -9.863 -5.913 506 HH11 ARG 57 HH11 ARG 57 95.605 -11.849 -6.935 507 HH12 ARG 57 HH12 ARG 57 96.597 -12.356 -8.262 508 HH21 ARG 57 HH21 ARG 57 98.602 -9.528 -8.188 509 HH22 ARG 57 HH22 ARG 57 98.293 -11.042 -8.971 510 H ARG 58 HN ARG 58 102.326 -6.968 -5.926 511 HA ARG 58 HA ARG 58 102.917 -9.484 -7.002 512 HB2 ARG 58 HB2 ARG 58 104.524 -6.933 -6.841 513 HB3 ARG 58 HB1 ARG 58 105.098 -8.363 -7.699 514 HG2 ARG 58 HG2 ARG 58 103.099 -8.345 -9.119 515 HG3 ARG 58 HG1 ARG 58 102.467 -6.954 -8.237 516 HD2 ARG 58 HD2 ARG 58 104.418 -5.618 -8.937 517 HD3 ARG 58 HD1 ARG 58 105.057 -7.007 -9.812 518 HE ARG 58 HE ARG 58 102.468 -6.547 -10.769 519 HH11 ARG 58 HH11 ARG 58 102.164 -5.374 -12.689 520 HH12 ARG 58 HH12 ARG 58 103.404 -4.300 -13.247 521 HH21 ARG 58 HH21 ARG 58 105.542 -4.965 -10.600 522 HH22 ARG 58 HH22 ARG 58 105.316 -4.068 -12.064 523 H VAL 59 HN VAL 59 104.715 -7.627 -4.538 524 HA VAL 59 HA VAL 59 106.626 -9.647 -4.014 525 HB VAL 59 HB VAL 59 107.109 -7.392 -3.351 526 HG11 VAL 59 HG11 VAL 59 104.725 -7.578 -1.484 527 HG12 VAL 59 HG12 VAL 59 104.705 -6.737 -3.033 528 HG13 VAL 59 HG13 VAL 59 105.761 -6.173 -1.738 529 HG21 VAL 59 HG21 VAL 59 107.837 -7.747 -1.099 530 HG22 VAL 59 HG22 VAL 59 107.848 -9.337 -1.861 531 HG23 VAL 59 HG23 VAL 59 106.529 -8.885 -0.781 532 H GLY 60 HN GLY 60 103.489 -8.880 -2.572 533 HA2 GLY 60 HA2 GLY 60 103.607 -10.660 -0.389 534 HA3 GLY 60 HA1 GLY 60 102.129 -10.063 -1.141 535 H ASP 61 HN ASP 61 102.253 -11.084 -3.662 536 HA ASP 61 HA ASP 61 101.478 -13.797 -3.252 537 HB2 ASP 61 HB2 ASP 61 101.764 -11.995 -5.627 538 HB3 ASP 61 HB1 ASP 61 101.566 -13.728 -5.881 539 H CYS 62 HN CYS 62 104.387 -12.226 -4.461 540 HA CYS 62 HA CYS 62 105.641 -14.523 -5.541 541 HB2 CYS 62 HB2 CYS 62 106.750 -11.931 -4.453 542 HB3 CYS 62 HB1 CYS 62 107.755 -13.172 -5.202 543 HG CYS 62 HG CYS 62 105.543 -12.605 -7.103 544 H PHE 63 HN PHE 63 105.565 -13.131 -2.300 545 HA PHE 63 HA PHE 63 107.509 -15.014 -1.262 546 HB2 PHE 63 HB2 PHE 63 105.957 -12.711 -0.203 547 HB3 PHE 63 HB1 PHE 63 106.448 -13.944 0.958 548 HD1 PHE 63 HD1 PHE 63 107.831 -11.929 -1.887 549 HD2 PHE 63 HD2 PHE 63 108.594 -13.852 1.877 550 HE1 PHE 63 HE1 PHE 63 110.137 -11.014 -1.888 551 HE2 PHE 63 HE2 PHE 63 110.900 -12.938 1.877 552 HZ PHE 63 HZ PHE 63 111.671 -11.520 -0.005 553 H GLN 64 HN GLN 64 103.999 -14.526 -1.088 554 HA GLN 64 HA GLN 64 103.457 -16.653 0.702 555 HB2 GLN 64 HB2 GLN 64 101.831 -14.872 0.243 556 HB3 GLN 64 HB1 GLN 64 101.686 -15.426 -1.425 557 HG2 GLN 64 HG2 GLN 64 100.776 -17.547 -0.715 558 HG3 GLN 64 HG1 GLN 64 101.103 -17.176 0.976 559 HE21 GLN 64 HE21 GLN 64 98.453 -17.793 0.051 560 HE22 GLN 64 HE22 GLN 64 97.502 -16.395 0.208 561 H ASP 65 HN ASP 65 103.638 -16.471 -2.828 562 HA ASP 65 HA ASP 65 102.690 -19.064 -3.395 563 HB2 ASP 65 HB2 ASP 65 102.920 -17.361 -5.130 564 HB3 ASP 65 HB1 ASP 65 104.670 -17.355 -4.919 565 H TYR 66 HN TYR 66 106.043 -17.866 -3.115 566 HA TYR 66 HA TYR 66 107.237 -20.434 -3.358 567 HB2 TYR 66 HB2 TYR 66 108.131 -17.699 -2.655 568 HB3 TYR 66 HB1 TYR 66 109.125 -19.020 -2.043 569 HD1 TYR 66 HD1 TYR 66 109.867 -20.837 -3.708 570 HD2 TYR 66 HD2 TYR 66 108.274 -17.035 -4.915 571 HE1 TYR 66 HE1 TYR 66 110.858 -21.138 -5.962 572 HE2 TYR 66 HE2 TYR 66 109.265 -17.336 -7.168 573 HH TYR 66 HH TYR 66 111.254 -18.676 -8.136 574 H TYR 67 HN TYR 67 106.218 -18.473 -0.600 575 HA TYR 67 HA TYR 67 107.361 -20.124 1.412 576 HB2 TYR 67 HB2 TYR 67 106.659 -17.791 1.819 577 HB3 TYR 67 HB1 TYR 67 104.975 -18.267 1.592 578 HD1 TYR 67 HD1 TYR 67 103.748 -18.717 3.513 579 HD2 TYR 67 HD2 TYR 67 107.984 -19.434 3.520 580 HE1 TYR 67 HE1 TYR 67 103.625 -19.423 5.887 581 HE2 TYR 67 HE2 TYR 67 107.860 -20.140 5.894 582 HH TYR 67 HH TYR 67 104.741 -20.246 7.620 583 H ASN 68 HN ASN 68 104.202 -20.058 -0.179 584 HA ASN 68 HA ASN 68 102.898 -21.914 1.497 585 HB2 ASN 68 HB2 ASN 68 102.472 -21.043 -1.353 586 HB3 ASN 68 HB1 ASN 68 101.467 -22.289 -0.616 587 HD21 ASN 68 HD21 ASN 68 102.375 -20.308 1.899 588 HD22 ASN 68 HD22 ASN 68 101.056 -19.240 1.898 589 H THR 69 HN THR 69 104.867 -22.325 -1.413 590 HA THR 69 HA THR 69 104.394 -24.986 -1.996 591 HB THR 69 HB THR 69 106.658 -25.021 -2.969 592 HG1 THR 69 HG1 THR 69 107.860 -23.942 -1.496 593 HG21 THR 69 HG21 THR 69 106.274 -22.480 -3.987 594 HG22 THR 69 HG22 THR 69 104.666 -22.917 -3.410 595 HG23 THR 69 HG23 THR 69 105.492 -23.945 -4.580 596 H PHE 70 HN PHE 70 105.978 -23.626 0.747 597 HA PHE 70 HA PHE 70 107.304 -26.125 1.468 598 HB2 PHE 70 HB2 PHE 70 107.186 -23.385 2.727 599 HB3 PHE 70 HB1 PHE 70 107.928 -24.764 3.538 600 HD1 PHE 70 HD1 PHE 70 108.341 -22.205 1.025 601 HD2 PHE 70 HD2 PHE 70 109.797 -26.023 2.350 602 HE1 PHE 70 HE1 PHE 70 110.411 -21.876 -0.301 603 HE2 PHE 70 HE2 PHE 70 111.867 -25.694 1.024 604 HZ PHE 70 HZ PHE 70 112.174 -23.620 -0.302 605 H GLY 71 HN GLY 71 104.246 -25.500 1.389 606 HA2 GLY 71 HA2 GLY 71 102.373 -25.896 2.699 607 HA3 GLY 71 HA1 GLY 71 103.283 -27.339 3.133 608 HA PRO 72 HA PRO 72 104.355 -24.328 6.647 609 HB2 PRO 72 HB2 PRO 72 103.646 -21.702 6.457 610 HB3 PRO 72 HB1 PRO 72 105.149 -22.348 5.771 611 HG2 PRO 72 HG2 PRO 72 102.622 -21.602 4.422 612 HG3 PRO 72 HG1 PRO 72 104.290 -21.512 3.836 613 HD2 PRO 72 HD2 PRO 72 102.458 -23.513 3.133 614 HD3 PRO 72 HD1 PRO 72 104.224 -23.608 2.953 615 H GLU 73 HN GLU 73 103.134 -24.657 8.416 616 HA GLU 73 HA GLU 73 100.231 -24.447 8.229 617 HB2 GLU 73 HB2 GLU 73 102.135 -25.955 9.819 618 HB3 GLU 73 HB1 GLU 73 100.911 -25.189 10.834 619 HG2 GLU 73 HG2 GLU 73 100.271 -26.814 8.358 620 HG3 GLU 73 HG1 GLU 73 100.256 -27.471 9.994 621 H LYS 74 HN LYS 74 102.887 -22.623 9.399 622 HA LYS 74 HA LYS 74 101.523 -21.228 11.499 623 HB2 LYS 74 HB2 LYS 74 103.867 -20.072 10.031 624 HB3 LYS 74 HB1 LYS 74 103.486 -20.010 11.752 625 HG2 LYS 74 HG2 LYS 74 104.373 -22.468 10.213 626 HG3 LYS 74 HG1 LYS 74 105.351 -21.556 11.362 627 HD2 LYS 74 HD2 LYS 74 103.636 -22.052 13.126 628 HD3 LYS 74 HD1 LYS 74 102.809 -23.092 11.966 629 HE2 LYS 74 HE2 LYS 74 104.817 -24.486 11.753 630 HE3 LYS 74 HE1 LYS 74 105.685 -23.431 12.867 631 HZ1 LYS 74 HZ1 LYS 74 103.445 -25.266 13.421 632 HZ2 LYS 74 HZ2 LYS 74 103.748 -23.944 14.446 633 HZ3 LYS 74 HZ3 LYS 74 104.938 -25.135 14.216 634 H VAL 75 HN VAL 75 102.380 -20.416 8.137 635 HA VAL 75 HA VAL 75 101.814 -18.470 6.944 636 HB VAL 75 HB VAL 75 99.192 -19.817 7.631 637 HG11 VAL 75 HG11 VAL 75 98.750 -18.706 5.233 638 HG12 VAL 75 HG12 VAL 75 99.907 -17.529 5.853 639 HG13 VAL 75 HG13 VAL 75 98.412 -17.843 6.733 640 HG21 VAL 75 HG21 VAL 75 99.570 -21.190 5.790 641 HG22 VAL 75 HG22 VAL 75 101.216 -20.991 6.389 642 HG23 VAL 75 HG23 VAL 75 100.655 -20.032 5.020 643 HA PRO 76 HA PRO 76 100.964 -15.847 10.687 644 HB2 PRO 76 HB2 PRO 76 102.620 -14.039 8.993 645 HB3 PRO 76 HB1 PRO 76 102.748 -14.395 10.727 646 HG2 PRO 76 HG2 PRO 76 104.490 -15.391 8.992 647 HG3 PRO 76 HG1 PRO 76 103.928 -16.336 10.381 648 HD2 PRO 76 HD2 PRO 76 103.148 -16.574 7.498 649 HD3 PRO 76 HD1 PRO 76 103.338 -17.860 8.709 650 H VAL 77 HN VAL 77 99.069 -14.789 10.728 651 HA VAL 77 HA VAL 77 97.839 -13.849 8.282 652 HB VAL 77 HB VAL 77 96.907 -13.703 11.159 653 HG11 VAL 77 HG11 VAL 77 95.647 -12.974 8.520 654 HG12 VAL 77 HG12 VAL 77 95.677 -12.048 10.021 655 HG13 VAL 77 HG13 VAL 77 94.648 -13.475 9.885 656 HG21 VAL 77 HG21 VAL 77 95.470 -15.466 9.345 657 HG22 VAL 77 HG22 VAL 77 96.200 -15.833 10.908 658 HG23 VAL 77 HG23 VAL 77 97.175 -15.904 9.440 659 H THR 78 HN THR 78 99.814 -12.526 10.737 660 HA THR 78 HA THR 78 99.023 -9.924 11.056 661 HB THR 78 HB THR 78 101.414 -9.351 11.286 662 HG1 THR 78 HG1 THR 78 102.134 -11.969 10.705 663 HG21 THR 78 HG21 THR 78 100.554 -10.345 13.232 664 HG22 THR 78 HG22 THR 78 101.970 -11.335 12.877 665 HG23 THR 78 HG23 THR 78 100.359 -11.916 12.455 666 H ALA 79 HN ALA 79 100.391 -11.413 8.196 667 HA ALA 79 HA ALA 79 101.126 -9.144 6.739 668 HB1 ALA 79 HB1 ALA 79 100.204 -11.895 5.991 669 HB2 ALA 79 HB2 ALA 79 101.774 -11.133 5.733 670 HB3 ALA 79 HB3 ALA 79 100.394 -10.674 4.733 671 H PHE 80 HN PHE 80 97.978 -10.509 7.411 672 HA PHE 80 HA PHE 80 96.536 -9.103 5.394 673 HB2 PHE 80 HB2 PHE 80 95.753 -10.473 7.958 674 HB3 PHE 80 HB1 PHE 80 94.570 -9.592 6.992 675 HD1 PHE 80 HD1 PHE 80 93.551 -10.621 5.143 676 HD2 PHE 80 HD2 PHE 80 97.201 -12.241 6.724 677 HE1 PHE 80 HE1 PHE 80 93.353 -12.560 3.610 678 HE2 PHE 80 HE2 PHE 80 97.004 -14.181 5.191 679 HZ PHE 80 HZ PHE 80 95.080 -14.341 3.634 680 H SER 81 HN SER 81 97.466 -8.371 8.710 681 HA SER 81 HA SER 81 95.843 -6.085 9.074 682 HB2 SER 81 HB2 SER 81 98.553 -6.661 10.292 683 HB3 SER 81 HB1 SER 81 97.349 -5.532 10.906 684 HG SER 81 HG SER 81 96.404 -7.156 11.826 685 H TYR 82 HN TYR 82 99.099 -6.513 7.752 686 HA TYR 82 HA TYR 82 99.807 -3.812 7.494 687 HB2 TYR 82 HB2 TYR 82 100.623 -6.345 6.130 688 HB3 TYR 82 HB1 TYR 82 101.137 -4.806 5.436 689 HD1 TYR 82 HD1 TYR 82 101.192 -6.876 8.528 690 HD2 TYR 82 HD2 TYR 82 102.836 -3.485 6.465 691 HE1 TYR 82 HE1 TYR 82 102.972 -6.694 10.246 692 HE2 TYR 82 HE2 TYR 82 104.616 -3.303 8.183 693 HH TYR 82 HH TYR 82 105.265 -5.761 10.423 694 H TRP 83 HN TRP 83 98.199 -5.985 5.171 695 HA TRP 83 HA TRP 83 97.976 -4.205 3.036 696 HB2 TRP 83 HB2 TRP 83 97.439 -6.510 2.687 697 HB3 TRP 83 HB1 TRP 83 96.181 -6.469 3.922 698 HD1 TRP 83 HD1 TRP 83 94.042 -4.812 3.372 699 HE1 TRP 83 HE1 TRP 83 92.910 -4.331 1.106 700 HE3 TRP 83 HE3 TRP 83 97.746 -6.323 0.197 701 HZ2 TRP 83 HZ2 TRP 83 93.499 -4.556 -1.685 702 HZ3 TRP 83 HZ3 TRP 83 97.435 -6.178 -2.258 703 HH2 TRP 83 HH2 TRP 83 95.317 -5.298 -3.202 704 H ASN 84 HN ASN 84 95.666 -4.821 5.681 705 HA ASN 84 HA ASN 84 93.728 -2.951 4.810 706 HB2 ASN 84 HB2 ASN 84 94.308 -4.270 7.453 707 HB3 ASN 84 HB1 ASN 84 93.028 -3.068 7.293 708 HD21 ASN 84 HD21 ASN 84 92.519 -5.864 7.898 709 HD22 ASN 84 HD22 ASN 84 91.654 -6.516 6.592 710 H LEU 85 HN LEU 85 96.434 -2.702 7.090 711 HA LEU 85 HA LEU 85 95.838 -0.070 7.977 712 HB2 LEU 85 HB2 LEU 85 97.296 -1.567 9.255 713 HB3 LEU 85 HB1 LEU 85 98.475 -1.560 7.942 714 HG LEU 85 HG LEU 85 98.725 0.892 8.196 715 HD11 LEU 85 HD11 LEU 85 96.799 1.794 9.083 716 HD12 LEU 85 HD12 LEU 85 97.730 1.636 10.572 717 HD13 LEU 85 HD13 LEU 85 96.523 0.420 10.153 718 HD21 LEU 85 HD21 LEU 85 99.052 -0.455 10.888 719 HD22 LEU 85 HD22 LEU 85 100.056 0.812 10.183 720 HD23 LEU 85 HD23 LEU 85 100.097 -0.820 9.516 721 H ILE 86 HN ILE 86 98.599 -1.102 5.961 722 HA ILE 86 HA ILE 86 99.374 1.386 5.054 723 HB ILE 86 HB ILE 86 99.743 -1.385 4.181 724 HG12 ILE 86 HG12 ILE 86 101.595 0.987 3.892 725 HG13 ILE 86 HG11 ILE 86 101.326 0.204 5.450 726 HG21 ILE 86 HG21 ILE 86 100.649 -0.616 1.929 727 HG22 ILE 86 HG22 ILE 86 99.758 0.885 2.179 728 HG23 ILE 86 HG23 ILE 86 98.890 -0.646 2.065 729 HD11 ILE 86 HD11 ILE 86 102.039 -1.955 4.488 730 HD12 ILE 86 HD12 ILE 86 103.308 -0.741 4.328 731 HD13 ILE 86 HD13 ILE 86 102.316 -1.170 2.934 732 H LYS 87 HN LYS 87 96.765 -0.668 3.890 733 HA LYS 87 HA LYS 87 96.192 0.537 1.453 734 HB2 LYS 87 HB2 LYS 87 94.908 -1.346 1.827 735 HB3 LYS 87 HB1 LYS 87 94.556 -0.904 3.499 736 HG2 LYS 87 HG2 LYS 87 92.976 0.761 2.824 737 HG3 LYS 87 HG1 LYS 87 93.493 0.664 1.140 738 HD2 LYS 87 HD2 LYS 87 92.652 -1.638 0.992 739 HD3 LYS 87 HD1 LYS 87 92.171 -1.583 2.689 740 HE2 LYS 87 HE2 LYS 87 90.614 0.258 2.203 741 HE3 LYS 87 HE1 LYS 87 91.107 0.239 0.509 742 HZ1 LYS 87 HZ1 LYS 87 90.366 -2.103 0.421 743 HZ2 LYS 87 HZ2 LYS 87 89.103 -1.011 0.738 744 HZ3 LYS 87 HZ3 LYS 87 89.757 -1.946 1.996 745 H GLU 88 HN GLU 88 95.136 1.466 4.713 746 HA GLU 88 HA GLU 88 93.601 3.711 3.699 747 HB2 GLU 88 HB2 GLU 88 92.710 3.862 5.806 748 HB3 GLU 88 HB1 GLU 88 93.255 2.186 5.872 749 HG2 GLU 88 HG2 GLU 88 94.172 3.062 7.834 750 HG3 GLU 88 HG1 GLU 88 95.511 3.231 6.700 751 H LEU 89 HN LEU 89 96.816 3.101 4.710 752 HA LEU 89 HA LEU 89 97.508 5.631 5.774 753 HB2 LEU 89 HB2 LEU 89 98.800 3.296 5.652 754 HB3 LEU 89 HB1 LEU 89 99.538 4.073 4.250 755 HG LEU 89 HG LEU 89 100.881 4.584 6.211 756 HD11 LEU 89 HD11 LEU 89 99.252 7.076 5.743 757 HD12 LEU 89 HD12 LEU 89 100.237 6.391 4.449 758 HD13 LEU 89 HD13 LEU 89 100.997 6.921 5.951 759 HD21 LEU 89 HD21 LEU 89 99.975 4.928 8.253 760 HD22 LEU 89 HD22 LEU 89 98.418 4.514 7.539 761 HD23 LEU 89 HD23 LEU 89 98.921 6.201 7.638 762 H ILE 90 HN ILE 90 97.581 4.315 2.484 763 HA ILE 90 HA ILE 90 98.934 6.469 1.265 764 HB ILE 90 HB ILE 90 96.985 4.437 0.169 765 HG12 ILE 90 HG12 ILE 90 99.992 4.732 0.265 766 HG13 ILE 90 HG11 ILE 90 99.009 3.380 0.830 767 HG21 ILE 90 HG21 ILE 90 97.749 5.159 -2.062 768 HG22 ILE 90 HG22 ILE 90 98.714 6.437 -1.322 769 HG23 ILE 90 HG23 ILE 90 96.953 6.486 -1.214 770 HD11 ILE 90 HD11 ILE 90 98.271 3.120 -1.626 771 HD12 ILE 90 HD12 ILE 90 99.918 2.628 -1.227 772 HD13 ILE 90 HD13 ILE 90 99.629 4.178 -2.015 773 H ASP 91 HN ASP 91 95.471 5.812 1.714 774 HA ASP 91 HA ASP 91 94.671 8.241 0.378 775 HB2 ASP 91 HB2 ASP 91 92.422 7.601 0.970 776 HB3 ASP 91 HB1 ASP 91 93.280 6.159 0.429 777 H LYS 92 HN LYS 92 95.989 7.608 3.367 778 HA LYS 92 HA LYS 92 94.476 9.245 5.101 779 HB2 LYS 92 HB2 LYS 92 96.286 7.583 5.745 780 HB3 LYS 92 HB1 LYS 92 97.460 8.806 5.261 781 HG2 LYS 92 HG2 LYS 92 96.538 10.387 6.879 782 HG3 LYS 92 HG1 LYS 92 95.276 9.236 7.319 783 HD2 LYS 92 HD2 LYS 92 97.010 7.642 8.085 784 HD3 LYS 92 HD1 LYS 92 98.258 8.821 7.682 785 HE2 LYS 92 HE2 LYS 92 97.311 10.410 9.294 786 HE3 LYS 92 HE1 LYS 92 96.011 9.278 9.669 787 HZ1 LYS 92 HZ1 LYS 92 97.674 9.043 11.324 788 HZ2 LYS 92 HZ2 LYS 92 98.913 8.918 10.168 789 HZ3 LYS 92 HZ3 LYS 92 97.771 7.670 10.333 790 H LYS 93 HN LYS 93 97.365 9.946 3.137 791 HA LYS 93 HA LYS 93 96.678 12.815 3.330 792 HB2 LYS 93 HB2 LYS 93 99.471 11.646 3.325 793 HB3 LYS 93 HB1 LYS 93 99.055 13.359 3.407 794 HG2 LYS 93 HG2 LYS 93 98.096 11.342 5.450 795 HG3 LYS 93 HG1 LYS 93 99.588 12.263 5.642 796 HD2 LYS 93 HD2 LYS 93 98.176 14.361 5.264 797 HD3 LYS 93 HD1 LYS 93 96.764 13.326 5.469 798 HE2 LYS 93 HE2 LYS 93 97.568 12.644 7.691 799 HE3 LYS 93 HE1 LYS 93 99.002 13.650 7.489 800 HZ1 LYS 93 HZ1 LYS 93 96.406 14.926 7.104 801 HZ2 LYS 93 HZ2 LYS 93 97.834 15.547 7.786 802 HZ3 LYS 93 HZ3 LYS 93 96.833 14.517 8.694 803 H GLU 94 HN GLU 94 97.971 14.061 1.572 804 HA GLU 94 HA GLU 94 97.285 12.846 -0.969 805 HB2 GLU 94 HB2 GLU 94 98.441 15.551 -0.256 806 HB3 GLU 94 HB1 GLU 94 98.011 15.054 -1.893 807 HG2 GLU 94 HG2 GLU 94 96.069 16.152 -1.191 808 HG3 GLU 94 HG1 GLU 94 95.694 14.468 -0.831 809 H VAL 95 HN VAL 95 99.674 12.037 0.833 810 HA VAL 95 HA VAL 95 101.959 11.626 0.606 811 HB VAL 95 HB VAL 95 102.371 10.182 -1.367 812 HG11 VAL 95 HG11 VAL 95 100.669 8.493 -0.816 813 HG12 VAL 95 HG12 VAL 95 99.685 9.728 -0.030 814 HG13 VAL 95 HG13 VAL 95 101.249 9.283 0.650 815 HG21 VAL 95 HG21 VAL 95 100.662 9.860 -3.037 816 HG22 VAL 95 HG22 VAL 95 100.931 11.597 -2.907 817 HG23 VAL 95 HG23 VAL 95 99.521 10.864 -2.142 818 H ASN 96 HN ASN 96 103.488 11.463 -1.774 819 HA ASN 96 HA ASN 96 103.436 14.102 -3.003 820 HB2 ASN 96 HB2 ASN 96 106.107 13.872 -2.217 821 HB3 ASN 96 HB1 ASN 96 104.917 15.009 -1.584 822 HD21 ASN 96 HD21 ASN 96 107.023 12.534 -0.656 823 HD22 ASN 96 HD22 ASN 96 106.306 12.140 0.830 824 HA PRO 97 HA PRO 97 105.129 12.261 -6.591 825 HB2 PRO 97 HB2 PRO 97 107.542 13.731 -6.822 826 HB3 PRO 97 HB1 PRO 97 105.977 14.128 -7.558 827 HG2 PRO 97 HG2 PRO 97 107.206 15.143 -5.058 828 HG3 PRO 97 HG1 PRO 97 106.170 15.973 -6.230 829 HD2 PRO 97 HD2 PRO 97 105.226 15.210 -3.842 830 HD3 PRO 97 HD1 PRO 97 104.194 15.075 -5.282 831 H GLN 98 HN GLN 98 107.051 12.464 -3.711 832 HA GLN 98 HA GLN 98 109.356 11.134 -4.132 833 HB2 GLN 98 HB2 GLN 98 109.307 10.448 -1.912 834 HB3 GLN 98 HB1 GLN 98 108.128 11.761 -1.902 835 HG2 GLN 98 HG2 GLN 98 106.367 9.955 -2.405 836 HG3 GLN 98 HG1 GLN 98 107.608 8.787 -1.955 837 HE21 GLN 98 HE21 GLN 98 105.255 8.997 -0.390 838 HE22 GLN 98 HE22 GLN 98 105.653 9.670 1.117 839 H VAL 99 HN VAL 99 106.200 9.895 -4.735 840 HA VAL 99 HA VAL 99 106.743 7.117 -4.651 841 HB VAL 99 HB VAL 99 104.730 8.693 -6.273 842 HG11 VAL 99 HG11 VAL 99 104.829 6.651 -7.408 843 HG12 VAL 99 HG12 VAL 99 103.597 6.326 -6.188 844 HG13 VAL 99 HG13 VAL 99 105.247 5.748 -5.952 845 HG21 VAL 99 HG21 VAL 99 104.931 8.108 -3.511 846 HG22 VAL 99 HG22 VAL 99 103.697 7.023 -4.152 847 HG23 VAL 99 HG23 VAL 99 103.534 8.767 -4.364 848 H MET 100 HN MET 100 106.953 9.518 -7.258 849 HA MET 100 HA MET 100 107.733 7.640 -9.267 850 HB2 MET 100 HB2 MET 100 107.999 10.651 -9.108 851 HB3 MET 100 HB1 MET 100 108.389 9.696 -10.540 852 HG2 MET 100 HG2 MET 100 106.093 8.853 -10.641 853 HG3 MET 100 HG1 MET 100 105.688 9.727 -9.163 854 HE1 MET 100 HE1 MET 100 103.855 10.019 -11.076 855 HE2 MET 100 HE2 MET 100 103.706 11.606 -11.825 856 HE3 MET 100 HE3 MET 100 103.750 11.468 -10.069 857 H ALA 101 HN ALA 101 109.478 9.786 -7.063 858 HA ALA 101 HA ALA 101 112.058 9.417 -8.160 859 HB1 ALA 101 HB1 ALA 101 112.461 9.830 -5.452 860 HB2 ALA 101 HB2 ALA 101 110.896 10.586 -5.748 861 HB3 ALA 101 HB3 ALA 101 112.310 11.091 -6.675 862 H ALA 102 HN ALA 102 110.046 7.386 -6.234 863 HA ALA 102 HA ALA 102 112.051 5.791 -5.009 864 HB1 ALA 102 HB1 ALA 102 110.202 5.042 -3.991 865 HB2 ALA 102 HB2 ALA 102 109.786 4.177 -5.471 866 HB3 ALA 102 HB3 ALA 102 109.177 5.811 -5.203 867 H VAL 103 HN VAL 103 110.350 5.604 -8.101 868 HA VAL 103 HA VAL 103 111.210 3.089 -8.959 869 HB VAL 103 HB VAL 103 110.691 5.613 -10.545 870 HG11 VAL 103 HG11 VAL 103 111.542 2.876 -11.336 871 HG12 VAL 103 HG12 VAL 103 111.787 4.415 -12.164 872 HG13 VAL 103 HG13 VAL 103 110.232 3.591 -12.278 873 HG21 VAL 103 HG21 VAL 103 108.501 4.698 -10.883 874 HG22 VAL 103 HG22 VAL 103 108.829 4.557 -9.155 875 HG23 VAL 103 HG23 VAL 103 108.974 3.142 -10.198 876 H ALA 104 HN ALA 104 112.811 6.246 -9.184 877 HA ALA 104 HA ALA 104 115.010 5.551 -10.741 878 HB1 ALA 104 HB1 ALA 104 114.749 7.508 -8.452 879 HB2 ALA 104 HB2 ALA 104 114.668 7.850 -10.181 880 HB3 ALA 104 HB3 ALA 104 116.200 7.378 -9.448 881 H GLN 105 HN GLN 105 114.267 4.754 -7.437 882 HA GLN 105 HA GLN 105 115.352 3.474 -5.866 883 HB2 GLN 105 HB2 GLN 105 116.539 2.415 -8.430 884 HB3 GLN 105 HB1 GLN 105 116.960 1.744 -6.853 885 HG2 GLN 105 HG2 GLN 105 114.603 1.254 -6.402 886 HG3 GLN 105 HG1 GLN 105 114.139 1.986 -7.937 887 HE21 GLN 105 HE21 GLN 105 113.239 -0.420 -8.087 888 HE22 GLN 105 HE22 GLN 105 114.287 -1.538 -8.819 889 H THR 106 HN THR 106 118.062 3.728 -8.139 890 HA THR 106 HA THR 106 119.501 5.359 -6.135 891 HB THR 106 HB THR 106 121.533 4.123 -6.614 892 HG1 THR 106 HG1 THR 106 120.543 3.629 -8.846 893 HG21 THR 106 HG21 THR 106 119.209 2.242 -6.119 894 HG22 THR 106 HG22 THR 106 120.013 3.217 -4.889 895 HG23 THR 106 HG23 THR 106 120.895 1.928 -5.709 896 H GLU 107 HN GLU 107 121.849 5.662 -7.628 897 HA GLU 107 HA GLU 107 122.763 7.096 -9.174 898 HB2 GLU 107 HB2 GLU 107 120.499 5.976 -10.845 899 HB3 GLU 107 HB1 GLU 107 121.851 6.915 -11.481 900 HG2 GLU 107 HG2 GLU 107 123.440 5.239 -10.702 901 HG3 GLU 107 HG1 GLU 107 122.145 4.328 -9.928 902 H GLU 108 HN GLU 108 122.319 9.054 -10.546 903 HA GLU 108 HA GLU 108 120.353 10.726 -9.191 904 HB2 GLU 108 HB2 GLU 108 122.505 11.340 -11.227 905 HB3 GLU 108 HB1 GLU 108 121.420 12.552 -10.545 906 HG2 GLU 108 HG2 GLU 108 122.231 12.101 -8.304 907 HG3 GLU 108 HG1 GLU 108 123.200 10.748 -8.886 908 H ILE 109 HN ILE 109 118.407 11.186 -9.987 909 HA ILE 109 HA ILE 109 117.277 10.003 -12.218 910 HB ILE 109 HB ILE 109 115.519 11.746 -12.049 911 HG12 ILE 109 HG12 ILE 109 117.296 12.952 -9.908 912 HG13 ILE 109 HG11 ILE 109 117.165 13.604 -11.542 913 HG21 ILE 109 HG21 ILE 109 116.592 10.226 -9.727 914 HG22 ILE 109 HG22 ILE 109 115.011 10.126 -10.504 915 HG23 ILE 109 HG23 ILE 109 115.357 11.436 -9.374 916 HD11 ILE 109 HD11 ILE 109 114.764 13.954 -11.250 917 HD12 ILE 109 HD12 ILE 109 115.638 14.752 -9.941 918 HD13 ILE 109 HD13 ILE 109 114.827 13.212 -9.651 919 H LEU 110 HN LEU 110 119.355 12.762 -12.036 920 HA LEU 110 HA LEU 110 118.662 14.037 -14.466 921 HB2 LEU 110 HB2 LEU 110 121.281 13.952 -12.951 922 HB3 LEU 110 HB1 LEU 110 120.954 15.022 -14.315 923 HG LEU 110 HG LEU 110 119.262 14.935 -11.803 924 HD11 LEU 110 HD11 LEU 110 120.420 16.906 -11.063 925 HD12 LEU 110 HD12 LEU 110 121.306 17.030 -12.583 926 HD13 LEU 110 HD13 LEU 110 121.659 15.715 -11.462 927 HD21 LEU 110 HD21 LEU 110 119.177 16.367 -14.394 928 HD22 LEU 110 HD22 LEU 110 118.917 17.377 -12.971 929 HD23 LEU 110 HD23 LEU 110 117.868 15.991 -13.273 930 H LYS 111 HN LYS 111 120.844 11.376 -13.691 931 HA LYS 111 HA LYS 111 122.076 11.212 -16.253 932 HB2 LYS 111 HB2 LYS 111 123.001 10.197 -14.165 933 HB3 LYS 111 HB1 LYS 111 121.706 9.002 -14.219 934 HG2 LYS 111 HG2 LYS 111 122.472 8.216 -16.403 935 HG3 LYS 111 HG1 LYS 111 123.719 9.464 -16.439 936 HD2 LYS 111 HD2 LYS 111 124.756 8.488 -14.422 937 HD3 LYS 111 HD1 LYS 111 123.517 7.234 -14.394 938 HE2 LYS 111 HE2 LYS 111 124.242 6.450 -16.612 939 HE3 LYS 111 HE1 LYS 111 125.472 7.713 -16.661 940 HZ1 LYS 111 HZ1 LYS 111 125.368 5.280 -15.031 941 HZ2 LYS 111 HZ2 LYS 111 126.139 6.650 -14.387 942 HZ3 LYS 111 HZ3 LYS 111 126.680 5.976 -15.849 943 H SER 112 HN SER 112 119.130 9.903 -14.875 944 HA SER 112 HA SER 112 118.576 7.884 -16.738 945 HB2 SER 112 HB2 SER 112 116.643 9.687 -15.264 946 HB3 SER 112 HB1 SER 112 116.216 8.184 -16.076 947 HG SER 112 HG SER 112 116.770 7.268 -14.274 948 H ASN 113 HN ASN 113 117.700 11.335 -16.773 949 HA ASN 113 HA ASN 113 116.279 11.270 -19.219 950 HB2 ASN 113 HB2 ASN 113 117.704 13.506 -17.768 951 HB3 ASN 113 HB1 ASN 113 116.749 13.754 -19.229 952 HD21 ASN 113 HD21 ASN 113 116.193 14.717 -16.423 953 HD22 ASN 113 HD22 ASN 113 114.658 14.099 -16.040 954 H SER 114 HN SER 114 119.665 12.055 -18.461 955 HA SER 114 HA SER 114 120.515 11.145 -21.065 956 HB2 SER 114 HB2 SER 114 121.477 13.257 -21.808 957 HB3 SER 114 HB1 SER 114 119.742 13.448 -21.569 958 HG SER 114 HG SER 114 120.906 15.151 -20.606 959 H GLN 115 HN GLN 115 122.796 10.930 -21.220 960 HA GLN 115 HA GLN 115 124.120 10.896 -18.593 961 HB2 GLN 115 HB2 GLN 115 124.844 9.535 -21.200 962 HB3 GLN 115 HB1 GLN 115 125.745 9.382 -19.691 963 HG2 GLN 115 HG2 GLN 115 123.894 8.328 -18.590 964 HG3 GLN 115 HG1 GLN 115 122.801 8.719 -19.917 965 HE21 GLN 115 HE21 GLN 115 124.461 6.154 -18.639 966 HE22 GLN 115 HE22 GLN 115 124.697 5.239 -20.048 967 H THR 116 HN THR 116 123.761 13.138 -20.780 968 HA THR 116 HA THR 116 126.346 13.825 -21.690 969 HB THR 116 HB THR 116 124.184 15.825 -21.041 970 HG1 THR 116 HG1 THR 116 123.010 14.551 -22.249 971 HG21 THR 116 HG21 THR 116 125.116 17.009 -22.937 972 HG22 THR 116 HG22 THR 116 126.171 15.647 -23.321 973 HG23 THR 116 HG23 THR 116 126.437 16.583 -21.849 974 H ASP 117 HN ASP 117 124.537 14.737 -18.776 975 HA ASP 117 HA ASP 117 126.451 16.550 -17.750 976 HB2 ASP 117 HB2 ASP 117 124.211 14.958 -16.532 977 HB3 ASP 117 HB1 ASP 117 125.297 15.903 -15.515 978 H LEU 118 HN LEU 118 125.925 13.079 -17.190 979 HA LEU 118 HA LEU 118 128.639 12.955 -16.016 980 HB2 LEU 118 HB2 LEU 118 126.272 11.199 -15.321 981 HB3 LEU 118 HB1 LEU 118 127.876 11.134 -14.590 982 HG LEU 118 HG LEU 118 126.032 13.540 -14.514 983 HD11 LEU 118 HD11 LEU 118 126.338 12.762 -11.937 984 HD12 LEU 118 HD12 LEU 118 126.411 11.192 -12.736 985 HD13 LEU 118 HD13 LEU 118 124.998 12.225 -12.951 986 HD21 LEU 118 HD21 LEU 118 128.095 14.512 -14.218 987 HD22 LEU 118 HD22 LEU 118 128.844 13.005 -13.690 988 HD23 LEU 118 HD23 LEU 118 127.856 13.941 -12.567 989 H GLU 119 HN GLU 119 129.243 12.640 -18.321 990 HA GLU 119 HA GLU 119 128.481 10.095 -19.518 991 HB2 GLU 119 HB2 GLU 119 128.797 12.222 -20.850 992 HB3 GLU 119 HB1 GLU 119 130.524 12.081 -20.524 993 HG2 GLU 119 HG2 GLU 119 130.146 11.038 -22.650 994 HG3 GLU 119 HG1 GLU 119 130.404 9.737 -21.488 995 H HIS 120 HN HIS 120 129.759 8.311 -19.679 996 HA HIS 120 HA HIS 120 131.839 7.942 -17.784 997 HB2 HIS 120 HB2 HIS 120 130.597 6.332 -19.952 998 HB3 HIS 120 HB1 HIS 120 132.205 5.847 -19.415 999 HD1 HIS 120 HD1 HIS 120 132.441 5.507 -16.721 1000 HD2 HIS 120 HD2 HIS 120 128.560 5.532 -18.245 1001 HE1 HIS 120 HE1 HIS 120 130.964 4.481 -14.937 1002 HE2 HIS 120 HE2 HIS 120 128.595 4.490 -15.850 1003 H HIS 121 HN HIS 121 131.818 8.562 -21.266 1004 HA HIS 121 HA HIS 121 134.761 8.841 -21.171 1005 HB2 HIS 121 HB2 HIS 121 132.921 8.120 -23.460 1006 HB3 HIS 121 HB1 HIS 121 134.629 8.511 -23.665 1007 HD1 HIS 121 HD1 HIS 121 132.336 5.828 -22.496 1008 HD2 HIS 121 HD2 HIS 121 136.433 6.592 -22.463 1009 HE1 HIS 121 HE1 HIS 121 133.466 3.645 -21.888 1010 HE2 HIS 121 HE2 HIS 121 135.966 4.095 -21.863 1011 H HIS 122 HN HIS 122 135.601 10.801 -21.523 1012 HA HIS 122 HA HIS 122 133.997 13.111 -21.709 1013 HB2 HIS 122 HB2 HIS 122 136.333 13.019 -20.799 1014 HB3 HIS 122 HB1 HIS 122 136.919 12.872 -22.456 1015 HD1 HIS 122 HD1 HIS 122 134.296 15.158 -20.868 1016 HD2 HIS 122 HD2 HIS 122 137.724 15.391 -23.230 1017 HE1 HIS 122 HE1 HIS 122 134.606 17.605 -21.441 1018 HE2 HIS 122 HE2 HIS 122 136.693 17.764 -22.880 1019 H HIS 123 HN HIS 123 135.883 11.357 -24.155 1020 HA HIS 123 HA HIS 123 134.713 13.068 -26.248 1021 HB2 HIS 123 HB2 HIS 123 137.083 11.199 -26.209 1022 HB3 HIS 123 HB1 HIS 123 136.423 11.859 -27.706 1023 HD1 HIS 123 HD1 HIS 123 138.622 12.689 -24.887 1024 HD2 HIS 123 HD2 HIS 123 136.483 14.814 -27.765 1025 HE1 HIS 123 HE1 HIS 123 139.560 15.041 -24.884 1026 HE2 HIS 123 HE2 HIS 123 138.265 16.350 -26.633 1027 H HIS 124 HN HIS 124 133.128 12.328 -27.508 1028 HA HIS 124 HA HIS 124 131.921 9.799 -27.081 1029 HB2 HIS 124 HB2 HIS 124 131.597 11.800 -29.330 1030 HB3 HIS 124 HB1 HIS 124 130.565 10.389 -29.097 1031 HD1 HIS 124 HD1 HIS 124 129.471 10.277 -26.542 1032 HD2 HIS 124 HD2 HIS 124 130.684 14.010 -27.948 1033 HE1 HIS 124 HE1 HIS 124 128.297 12.001 -25.104 1034 HE2 HIS 124 HE2 HIS 124 129.027 14.282 -25.949 1035 H HIS 125 HN HIS 125 134.051 11.044 -29.632 1036 HA HIS 125 HA HIS 125 134.639 8.259 -30.393 1037 HB2 HIS 125 HB2 HIS 125 134.037 10.520 -32.315 1038 HB3 HIS 125 HB1 HIS 125 134.640 8.928 -32.779 1039 HD1 HIS 125 HD1 HIS 125 133.034 6.873 -31.747 1040 HD2 HIS 125 HD2 HIS 125 131.282 10.610 -32.328 1041 HE1 HIS 125 HE1 HIS 125 130.531 6.489 -31.805 1042 HE2 HIS 125 HE2 HIS 125 129.449 8.759 -32.159 Start of MODEL 3 1 H21 MYR 1 1H2 MYR 1 115.515 8.886 -0.397 2 H22 MYR 1 2H2 MYR 1 115.634 9.230 1.189 3 H31 MYR 1 1H3 MYR 1 113.577 8.031 0.477 4 H32 MYR 1 2H3 MYR 1 113.367 9.305 1.467 5 H41 MYR 1 1H4 MYR 1 113.046 10.628 -0.616 6 H42 MYR 1 2H4 MYR 1 112.822 9.192 -1.347 7 H51 MYR 1 1H5 MYR 1 110.994 10.613 0.140 8 H52 MYR 1 2H5 MYR 1 110.715 9.284 -0.767 9 H61 MYR 1 1H6 MYR 1 111.546 7.954 1.096 10 H62 MYR 1 2H6 MYR 1 111.570 9.315 1.994 11 H71 MYR 1 1H7 MYR 1 109.281 9.473 1.987 12 H72 MYR 1 2H7 MYR 1 109.138 8.337 0.827 13 H81 MYR 1 1H8 MYR 1 110.230 6.934 2.724 14 H82 MYR 1 2H8 MYR 1 109.355 7.987 3.607 15 H91 MYR 1 1H9 MYR 1 107.425 7.059 3.042 16 H92 MYR 1 2H9 MYR 1 107.928 6.678 1.541 17 H101 MYR 1 1H10 MYR 1 108.073 4.610 2.212 18 H102 MYR 1 2H10 MYR 1 109.363 5.055 3.100 19 H111 MYR 1 1H11 MYR 1 108.260 4.880 5.007 20 H112 MYR 1 2H11 MYR 1 106.901 5.531 4.393 21 H121 MYR 1 1H12 MYR 1 106.304 3.372 4.858 22 H122 MYR 1 2H12 MYR 1 106.552 3.364 3.250 23 H131 MYR 1 1H13 MYR 1 108.613 2.334 3.487 24 H132 MYR 1 2H13 MYR 1 108.618 2.567 5.097 25 H141 MYR 1 1H14 MYR 1 106.566 0.935 3.938 26 H142 MYR 1 2H14 MYR 1 108.035 0.286 4.252 27 H143 MYR 1 3H14 MYR 1 107.139 0.901 5.470 28 H GLY 2 HN GLY 2 117.086 10.296 -0.592 29 HA2 GLY 2 HA2 GLY 2 118.261 12.131 0.157 30 HA3 GLY 2 HA1 GLY 2 116.736 13.012 0.183 31 H GLN 3 HN GLN 3 117.533 13.996 2.150 32 HA GLN 3 HA GLN 3 118.248 12.678 4.496 33 HB2 GLN 3 HB2 GLN 3 116.722 15.267 4.147 34 HB3 GLN 3 HB1 GLN 3 117.421 14.719 5.670 35 HG2 GLN 3 HG2 GLN 3 119.655 14.702 4.685 36 HG3 GLN 3 HG1 GLN 3 118.991 15.140 3.112 37 HE21 GLN 3 HE21 GLN 3 120.382 16.450 5.906 38 HE22 GLN 3 HE22 GLN 3 119.865 18.055 5.709 39 H GLU 4 HN GLU 4 115.179 12.916 2.954 40 HA GLU 4 HA GLU 4 113.357 12.648 4.999 41 HB2 GLU 4 HB2 GLU 4 112.913 12.759 2.479 42 HB3 GLU 4 HB1 GLU 4 113.173 11.019 2.477 43 HG2 GLU 4 HG2 GLU 4 110.807 11.379 2.722 44 HG3 GLU 4 HG1 GLU 4 111.421 10.834 4.276 45 H LEU 5 HN LEU 5 115.821 10.480 4.077 46 HA LEU 5 HA LEU 5 114.934 7.966 4.649 47 HB2 LEU 5 HB2 LEU 5 117.286 8.540 4.047 48 HB3 LEU 5 HB1 LEU 5 117.532 9.134 5.688 49 HG LEU 5 HG LEU 5 116.947 6.883 6.574 50 HD11 LEU 5 HD11 LEU 5 116.419 6.424 3.676 51 HD12 LEU 5 HD12 LEU 5 115.607 5.753 5.090 52 HD13 LEU 5 HD13 LEU 5 117.161 5.100 4.574 53 HD21 LEU 5 HD21 LEU 5 119.159 7.003 4.511 54 HD22 LEU 5 HD22 LEU 5 118.993 5.718 5.709 55 HD23 LEU 5 HD23 LEU 5 119.288 7.378 6.230 56 H SER 6 HN SER 6 115.618 10.541 6.958 57 HA SER 6 HA SER 6 115.507 9.109 9.355 58 HB2 SER 6 HB2 SER 6 114.920 11.218 10.408 59 HB3 SER 6 HB1 SER 6 116.099 11.526 9.135 60 HG SER 6 HG SER 6 113.303 11.963 9.131 61 H GLN 7 HN GLN 7 112.939 10.207 7.216 62 HA GLN 7 HA GLN 7 110.716 9.892 8.883 63 HB2 GLN 7 HB2 GLN 7 110.623 10.886 6.611 64 HB3 GLN 7 HB1 GLN 7 110.896 9.285 5.922 65 HG2 GLN 7 HG2 GLN 7 108.827 8.467 6.989 66 HG3 GLN 7 HG1 GLN 7 108.556 10.063 7.685 67 HE21 GLN 7 HE21 GLN 7 106.647 8.882 5.919 68 HE22 GLN 7 HE22 GLN 7 106.627 9.779 4.478 69 H HIS 8 HN HIS 8 112.475 7.507 6.898 70 HA HIS 8 HA HIS 8 110.763 5.316 7.265 71 HB2 HIS 8 HB2 HIS 8 112.646 5.327 5.673 72 HB3 HIS 8 HB1 HIS 8 113.784 5.335 7.021 73 HD1 HIS 8 HD1 HIS 8 111.062 3.165 5.508 74 HD2 HIS 8 HD2 HIS 8 114.297 2.819 8.115 75 HE1 HIS 8 HE1 HIS 8 111.333 0.694 5.988 76 HE2 HIS 8 HE2 HIS 8 113.302 0.466 7.576 77 H GLU 9 HN GLU 9 113.622 6.324 9.146 78 HA GLU 9 HA GLU 9 113.637 4.331 11.089 79 HB2 GLU 9 HB2 GLU 9 115.323 6.151 10.924 80 HB3 GLU 9 HB1 GLU 9 114.132 7.282 11.568 81 HG2 GLU 9 HG2 GLU 9 113.978 5.992 13.638 82 HG3 GLU 9 HG1 GLU 9 115.089 4.786 12.994 83 H ARG 10 HN ARG 10 111.481 7.077 10.753 84 HA ARG 10 HA ARG 10 110.218 6.685 13.345 85 HB2 ARG 10 HB2 ARG 10 109.290 8.354 10.994 86 HB3 ARG 10 HB1 ARG 10 108.696 8.447 12.647 87 HG2 ARG 10 HG2 ARG 10 110.888 9.131 13.467 88 HG3 ARG 10 HG1 ARG 10 111.580 8.952 11.853 89 HD2 ARG 10 HD2 ARG 10 110.044 10.696 11.013 90 HD3 ARG 10 HD1 ARG 10 109.384 10.891 12.634 91 HE ARG 10 HE ARG 10 112.238 11.222 12.577 92 HH11 ARG 10 HH11 ARG 10 113.010 13.334 12.906 93 HH12 ARG 10 HH12 ARG 10 111.934 14.680 12.736 94 HH21 ARG 10 HH21 ARG 10 109.184 12.722 11.945 95 HH22 ARG 10 HH22 ARG 10 109.767 14.333 12.193 96 H TYR 11 HN TYR 11 109.287 6.219 9.943 97 HA TYR 11 HA TYR 11 106.748 5.174 10.266 98 HB2 TYR 11 HB2 TYR 11 107.813 5.632 8.065 99 HB3 TYR 11 HB1 TYR 11 108.829 4.208 8.286 100 HD1 TYR 11 HD1 TYR 11 107.982 1.998 7.906 101 HD2 TYR 11 HD2 TYR 11 105.323 5.373 7.924 102 HE1 TYR 11 HE1 TYR 11 106.162 0.568 7.023 103 HE2 TYR 11 HE2 TYR 11 103.506 3.940 7.044 104 HH TYR 11 HH TYR 11 103.888 1.200 5.540 105 H VAL 12 HN VAL 12 109.878 3.503 10.500 106 HA VAL 12 HA VAL 12 108.887 0.867 10.820 107 HB VAL 12 HB VAL 12 111.404 2.270 11.704 108 HG11 VAL 12 HG11 VAL 12 112.124 -0.209 12.188 109 HG12 VAL 12 HG12 VAL 12 110.397 -0.468 12.436 110 HG13 VAL 12 HG13 VAL 12 111.267 0.701 13.432 111 HG21 VAL 12 HG21 VAL 12 110.997 -0.103 9.864 112 HG22 VAL 12 HG22 VAL 12 112.411 0.947 9.985 113 HG23 VAL 12 HG23 VAL 12 110.913 1.565 9.291 114 H GLU 13 HN GLU 13 109.985 3.142 13.368 115 HA GLU 13 HA GLU 13 109.035 1.546 15.515 116 HB2 GLU 13 HB2 GLU 13 109.604 4.513 15.331 117 HB3 GLU 13 HB1 GLU 13 109.248 3.667 16.837 118 HG2 GLU 13 HG2 GLU 13 111.186 2.228 16.548 119 HG3 GLU 13 HG1 GLU 13 111.507 2.923 14.960 120 H GLN 14 HN GLN 14 107.566 4.217 13.728 121 HA GLN 14 HA GLN 14 105.248 4.439 15.324 122 HB2 GLN 14 HB2 GLN 14 106.085 6.193 13.730 123 HB3 GLN 14 HB1 GLN 14 105.547 5.162 12.401 124 HG2 GLN 14 HG2 GLN 14 103.808 6.814 12.890 125 HG3 GLN 14 HG1 GLN 14 103.233 5.210 13.371 126 HE21 GLN 14 HE21 GLN 14 101.883 5.793 15.145 127 HE22 GLN 14 HE22 GLN 14 102.457 6.596 16.526 128 H LEU 15 HN LEU 15 105.234 3.442 11.932 129 HA LEU 15 HA LEU 15 102.867 2.222 11.711 130 HB2 LEU 15 HB2 LEU 15 104.991 2.201 10.098 131 HB3 LEU 15 HB1 LEU 15 105.188 0.579 10.758 132 HG LEU 15 HG LEU 15 103.860 0.469 8.709 133 HD11 LEU 15 HD11 LEU 15 103.259 -0.876 10.845 134 HD12 LEU 15 HD12 LEU 15 102.091 -0.820 9.532 135 HD13 LEU 15 HD13 LEU 15 101.875 0.211 10.941 136 HD21 LEU 15 HD21 LEU 15 101.542 1.930 9.776 137 HD22 LEU 15 HD22 LEU 15 102.265 2.008 8.174 138 HD23 LEU 15 HD23 LEU 15 102.931 2.970 9.488 139 H LYS 16 HN LYS 16 105.708 0.679 13.193 140 HA LYS 16 HA LYS 16 104.448 -1.766 13.834 141 HB2 LYS 16 HB2 LYS 16 106.826 -0.299 14.937 142 HB3 LYS 16 HB1 LYS 16 106.257 -1.786 15.686 143 HG2 LYS 16 HG2 LYS 16 106.403 -2.882 13.415 144 HG3 LYS 16 HG1 LYS 16 107.141 -1.404 12.823 145 HD2 LYS 16 HD2 LYS 16 109.108 -1.762 13.910 146 HD3 LYS 16 HD1 LYS 16 108.356 -2.590 15.267 147 HE2 LYS 16 HE2 LYS 16 108.829 -3.722 12.504 148 HE3 LYS 16 HE1 LYS 16 109.642 -4.193 13.996 149 HZ1 LYS 16 HZ1 LYS 16 106.889 -4.348 14.424 150 HZ2 LYS 16 HZ2 LYS 16 108.019 -5.611 14.402 151 HZ3 LYS 16 HZ3 LYS 16 107.224 -5.157 12.973 152 H GLN 17 HN GLN 17 104.743 1.256 15.639 153 HA GLN 17 HA GLN 17 103.456 0.347 18.015 154 HB2 GLN 17 HB2 GLN 17 103.990 3.057 16.820 155 HB3 GLN 17 HB1 GLN 17 103.008 2.893 18.273 156 HG2 GLN 17 HG2 GLN 17 105.750 1.649 18.001 157 HG3 GLN 17 HG1 GLN 17 105.495 3.261 18.671 158 HE21 GLN 17 HE21 GLN 17 106.001 0.177 19.680 159 HE22 GLN 17 HE22 GLN 17 105.105 0.185 21.120 160 H ALA 18 HN ALA 18 102.233 2.439 15.379 161 HA ALA 18 HA ALA 18 99.564 2.520 16.068 162 HB1 ALA 18 HB1 ALA 18 100.923 3.549 14.027 163 HB2 ALA 18 HB2 ALA 18 99.172 3.341 13.952 164 HB3 ALA 18 HB3 ALA 18 100.235 2.163 13.184 165 H LEU 19 HN LEU 19 101.403 -0.149 15.120 166 HA LEU 19 HA LEU 19 99.126 -1.745 14.189 167 HB2 LEU 19 HB2 LEU 19 102.018 -1.972 14.057 168 HB3 LEU 19 HB1 LEU 19 101.261 -3.490 14.535 169 HG LEU 19 HG LEU 19 100.365 -1.826 12.163 170 HD11 LEU 19 HD11 LEU 19 102.717 -2.821 12.020 171 HD12 LEU 19 HD12 LEU 19 101.591 -3.315 10.757 172 HD13 LEU 19 HD13 LEU 19 101.943 -4.401 12.101 173 HD21 LEU 19 HD21 LEU 19 98.617 -3.253 12.125 174 HD22 LEU 19 HD22 LEU 19 99.211 -4.021 13.597 175 HD23 LEU 19 HD23 LEU 19 99.728 -4.617 12.020 176 H LYS 20 HN LYS 20 101.440 -1.776 16.890 177 HA LYS 20 HA LYS 20 100.638 -3.924 18.328 178 HB2 LYS 20 HB2 LYS 20 102.409 -2.318 19.023 179 HB3 LYS 20 HB1 LYS 20 101.144 -1.201 19.533 180 HG2 LYS 20 HG2 LYS 20 100.318 -2.792 21.165 181 HG3 LYS 20 HG1 LYS 20 101.443 -4.024 20.594 182 HD2 LYS 20 HD2 LYS 20 103.339 -2.534 21.239 183 HD3 LYS 20 HD1 LYS 20 102.175 -1.386 21.900 184 HE2 LYS 20 HE2 LYS 20 102.433 -4.272 22.790 185 HE3 LYS 20 HE1 LYS 20 103.132 -2.896 23.644 186 HZ1 LYS 20 HZ1 LYS 20 101.186 -2.846 24.705 187 HZ2 LYS 20 HZ2 LYS 20 100.403 -3.807 23.544 188 HZ3 LYS 20 HZ3 LYS 20 100.571 -2.135 23.293 189 H THR 21 HN THR 21 98.920 -0.899 17.947 190 HA THR 21 HA THR 21 96.961 -1.301 19.963 191 HB THR 21 HB THR 21 97.460 0.843 18.677 192 HG1 THR 21 HG1 THR 21 94.744 0.493 18.480 193 HG21 THR 21 HG21 THR 21 96.694 1.140 16.527 194 HG22 THR 21 HG22 THR 21 95.389 -0.028 16.721 195 HG23 THR 21 HG23 THR 21 97.038 -0.585 16.474 196 H ARG 22 HN ARG 22 97.222 -2.430 16.652 197 HA ARG 22 HA ARG 22 94.542 -3.373 16.435 198 HB2 ARG 22 HB2 ARG 22 97.039 -3.635 14.833 199 HB3 ARG 22 HB1 ARG 22 95.785 -4.840 14.578 200 HG2 ARG 22 HG2 ARG 22 95.003 -1.950 14.649 201 HG3 ARG 22 HG1 ARG 22 95.780 -2.572 13.187 202 HD2 ARG 22 HD2 ARG 22 93.392 -3.909 14.493 203 HD3 ARG 22 HD1 ARG 22 93.242 -2.709 13.214 204 HE ARG 22 HE ARG 22 94.102 -5.449 12.913 205 HH11 ARG 22 HH11 ARG 22 94.564 -6.099 10.785 206 HH12 ARG 22 HH12 ARG 22 94.780 -4.906 9.548 207 HH21 ARG 22 HH21 ARG 22 94.249 -2.221 11.678 208 HH22 ARG 22 HH22 ARG 22 94.602 -2.709 10.054 209 H GLY 23 HN GLY 23 97.208 -4.448 18.173 210 HA2 GLY 23 HA2 GLY 23 96.883 -6.268 19.772 211 HA3 GLY 23 HA1 GLY 23 95.939 -7.099 18.540 212 H VAL 24 HN VAL 24 98.871 -5.468 17.638 213 HA VAL 24 HA VAL 24 100.097 -8.085 17.105 214 HB VAL 24 HB VAL 24 100.899 -5.402 15.984 215 HG11 VAL 24 HG11 VAL 24 102.690 -6.870 15.640 216 HG12 VAL 24 HG12 VAL 24 101.762 -7.055 14.155 217 HG13 VAL 24 HG13 VAL 24 101.639 -8.267 15.425 218 HG21 VAL 24 HG21 VAL 24 99.687 -6.331 13.902 219 HG22 VAL 24 HG22 VAL 24 98.658 -5.752 15.213 220 HG23 VAL 24 HG23 VAL 24 98.929 -7.482 15.001 221 H LYS 25 HN LYS 25 102.577 -8.038 17.199 222 HA LYS 25 HA LYS 25 103.386 -6.648 19.666 223 HB2 LYS 25 HB2 LYS 25 103.325 -9.208 19.638 224 HB3 LYS 25 HB1 LYS 25 104.692 -9.115 18.528 225 HG2 LYS 25 HG2 LYS 25 105.995 -7.862 20.174 226 HG3 LYS 25 HG1 LYS 25 104.617 -7.842 21.277 227 HD2 LYS 25 HD2 LYS 25 104.661 -10.309 21.381 228 HD3 LYS 25 HD1 LYS 25 106.051 -10.326 20.296 229 HE2 LYS 25 HE2 LYS 25 107.376 -9.066 21.921 230 HE3 LYS 25 HE1 LYS 25 105.985 -8.956 23.000 231 HZ1 LYS 25 HZ1 LYS 25 107.293 -10.747 23.759 232 HZ2 LYS 25 HZ2 LYS 25 107.472 -11.391 22.196 233 HZ3 LYS 25 HZ3 LYS 25 105.963 -11.447 22.974 234 H VAL 26 HN VAL 26 105.550 -5.834 19.786 235 HA VAL 26 HA VAL 26 106.880 -5.449 17.176 236 HB VAL 26 HB VAL 26 107.285 -3.102 17.713 237 HG11 VAL 26 HG11 VAL 26 105.215 -3.678 16.507 238 HG12 VAL 26 HG12 VAL 26 104.959 -2.287 17.563 239 HG13 VAL 26 HG13 VAL 26 104.369 -3.878 18.041 240 HG21 VAL 26 HG21 VAL 26 105.565 -2.494 19.803 241 HG22 VAL 26 HG22 VAL 26 107.316 -2.628 19.944 242 HG23 VAL 26 HG23 VAL 26 106.292 -4.009 20.337 243 H LYS 27 HN LYS 27 108.384 -7.040 17.817 244 HA LYS 27 HA LYS 27 110.153 -6.299 20.062 245 HB2 LYS 27 HB2 LYS 27 110.956 -8.672 19.882 246 HB3 LYS 27 HB1 LYS 27 109.269 -8.503 20.369 247 HG2 LYS 27 HG2 LYS 27 108.495 -9.007 18.151 248 HG3 LYS 27 HG1 LYS 27 110.131 -8.927 17.498 249 HD2 LYS 27 HD2 LYS 27 110.800 -10.892 18.720 250 HD3 LYS 27 HD1 LYS 27 109.274 -10.921 19.615 251 HE2 LYS 27 HE2 LYS 27 108.056 -11.292 17.477 252 HE3 LYS 27 HE1 LYS 27 109.595 -11.319 16.622 253 HZ1 LYS 27 HZ1 LYS 27 110.238 -13.158 18.194 254 HZ2 LYS 27 HZ2 LYS 27 109.042 -13.546 17.050 255 HZ3 LYS 27 HZ3 LYS 27 108.609 -13.224 18.661 256 H TYR 28 HN TYR 28 112.487 -6.898 19.718 257 HA TYR 28 HA TYR 28 113.535 -5.527 17.488 258 HB2 TYR 28 HB2 TYR 28 114.802 -5.763 19.557 259 HB3 TYR 28 HB1 TYR 28 114.864 -7.511 19.337 260 HD1 TYR 28 HD1 TYR 28 115.836 -4.281 17.740 261 HD2 TYR 28 HD2 TYR 28 116.553 -8.507 18.013 262 HE1 TYR 28 HE1 TYR 28 117.859 -4.028 16.328 263 HE2 TYR 28 HE2 TYR 28 118.576 -8.255 16.602 264 HH TYR 28 HH TYR 28 119.201 -5.629 14.740 265 H ALA 29 HN ALA 29 113.051 -8.965 18.144 266 HA ALA 29 HA ALA 29 114.379 -10.038 15.936 267 HB1 ALA 29 HB1 ALA 29 111.906 -11.423 16.699 268 HB2 ALA 29 HB2 ALA 29 113.014 -11.098 18.029 269 HB3 ALA 29 HB3 ALA 29 113.561 -12.018 16.631 270 H ASP 30 HN ASP 30 111.417 -8.319 16.154 271 HA ASP 30 HA ASP 30 110.239 -9.302 13.716 272 HB2 ASP 30 HB2 ASP 30 109.654 -7.034 15.571 273 HB3 ASP 30 HB1 ASP 30 108.896 -7.069 14.003 274 H LEU 31 HN LEU 31 112.083 -6.405 14.593 275 HA LEU 31 HA LEU 31 111.931 -5.101 12.085 276 HB2 LEU 31 HB2 LEU 31 113.974 -5.124 14.324 277 HB3 LEU 31 HB1 LEU 31 114.257 -4.190 12.856 278 HG LEU 31 HG LEU 31 111.726 -3.393 13.417 279 HD11 LEU 31 HD11 LEU 31 113.042 -3.780 16.110 280 HD12 LEU 31 HD12 LEU 31 111.772 -4.833 15.494 281 HD13 LEU 31 HD13 LEU 31 111.438 -3.131 15.802 282 HD21 LEU 31 HD21 LEU 31 114.306 -2.300 14.556 283 HD22 LEU 31 HD22 LEU 31 112.779 -1.418 14.517 284 HD23 LEU 31 HD23 LEU 31 113.566 -1.884 13.009 285 H LEU 32 HN LEU 32 114.226 -7.538 13.279 286 HA LEU 32 HA LEU 32 116.049 -7.539 11.197 287 HB2 LEU 32 HB2 LEU 32 114.912 -10.047 12.458 288 HB3 LEU 32 HB1 LEU 32 116.520 -9.832 11.758 289 HG LEU 32 HG LEU 32 115.461 -8.369 14.208 290 HD11 LEU 32 HD11 LEU 32 116.998 -9.721 15.470 291 HD12 LEU 32 HD12 LEU 32 117.706 -10.401 14.005 292 HD13 LEU 32 HD13 LEU 32 116.058 -10.827 14.469 293 HD21 LEU 32 HD21 LEU 32 116.977 -6.855 13.324 294 HD22 LEU 32 HD22 LEU 32 117.914 -8.103 12.503 295 HD23 LEU 32 HD23 LEU 32 118.079 -7.877 14.244 296 H LYS 33 HN LYS 33 113.163 -9.620 11.351 297 HA LYS 33 HA LYS 33 113.411 -10.507 8.671 298 HB2 LYS 33 HB2 LYS 33 112.197 -11.749 10.468 299 HB3 LYS 33 HB1 LYS 33 110.928 -10.527 10.397 300 HG2 LYS 33 HG2 LYS 33 110.489 -11.059 8.052 301 HG3 LYS 33 HG1 LYS 33 111.823 -12.212 8.039 302 HD2 LYS 33 HD2 LYS 33 110.678 -13.559 9.766 303 HD3 LYS 33 HD1 LYS 33 109.335 -12.414 9.767 304 HE2 LYS 33 HE2 LYS 33 108.935 -12.895 7.371 305 HE3 LYS 33 HE1 LYS 33 110.262 -14.057 7.390 306 HZ1 LYS 33 HZ1 LYS 33 109.088 -15.522 8.671 307 HZ2 LYS 33 HZ2 LYS 33 107.821 -14.831 7.773 308 HZ3 LYS 33 HZ3 LYS 33 108.111 -14.323 9.369 309 H PHE 34 HN PHE 34 111.058 -8.299 10.161 310 HA PHE 34 HA PHE 34 109.717 -7.606 7.820 311 HB2 PHE 34 HB2 PHE 34 109.874 -6.587 10.534 312 HB3 PHE 34 HB1 PHE 34 109.645 -5.299 9.369 313 HD1 PHE 34 HD1 PHE 34 108.040 -7.864 11.251 314 HD2 PHE 34 HD2 PHE 34 107.823 -5.704 7.545 315 HE1 PHE 34 HE1 PHE 34 105.650 -8.489 11.026 316 HE2 PHE 34 HE2 PHE 34 105.436 -6.328 7.319 317 HZ PHE 34 HZ PHE 34 104.350 -7.726 9.059 318 H PHE 35 HN PHE 35 112.590 -6.157 9.246 319 HA PHE 35 HA PHE 35 112.738 -3.971 7.400 320 HB2 PHE 35 HB2 PHE 35 113.822 -4.165 9.719 321 HB3 PHE 35 HB1 PHE 35 115.082 -5.118 8.924 322 HD1 PHE 35 HD1 PHE 35 116.184 -4.032 6.830 323 HD2 PHE 35 HD2 PHE 35 113.839 -1.851 9.703 324 HE1 PHE 35 HE1 PHE 35 117.208 -1.911 6.052 325 HE2 PHE 35 HE2 PHE 35 114.868 0.272 8.915 326 HZ PHE 35 HZ PHE 35 116.549 0.240 7.093 327 H ASP 36 HN ASP 36 114.458 -7.093 7.682 328 HA ASP 36 HA ASP 36 115.926 -6.706 5.250 329 HB2 ASP 36 HB2 ASP 36 115.500 -9.142 6.978 330 HB3 ASP 36 HB1 ASP 36 116.549 -9.110 5.564 331 H PHE 37 HN PHE 37 112.817 -7.837 6.045 332 HA PHE 37 HA PHE 37 112.367 -9.656 3.929 333 HB2 PHE 37 HB2 PHE 37 110.807 -9.758 5.689 334 HB3 PHE 37 HB1 PHE 37 110.523 -8.015 5.650 335 HD1 PHE 37 HD1 PHE 37 108.388 -7.494 4.873 336 HD2 PHE 37 HD2 PHE 37 110.520 -10.775 3.096 337 HE1 PHE 37 HE1 PHE 37 106.524 -7.848 3.283 338 HE2 PHE 37 HE2 PHE 37 108.653 -11.127 1.506 339 HZ PHE 37 HZ PHE 37 106.653 -9.664 1.598 340 H VAL 38 HN VAL 38 111.336 -6.264 4.272 341 HA VAL 38 HA VAL 38 110.499 -6.088 1.523 342 HB VAL 38 HB VAL 38 110.518 -3.559 2.111 343 HG11 VAL 38 HG11 VAL 38 108.454 -3.898 3.538 344 HG12 VAL 38 HG12 VAL 38 108.830 -5.620 3.557 345 HG13 VAL 38 HG13 VAL 38 108.457 -4.818 2.032 346 HG21 VAL 38 HG21 VAL 38 110.382 -4.342 4.941 347 HG22 VAL 38 HG22 VAL 38 111.121 -2.923 4.209 348 HG23 VAL 38 HG23 VAL 38 112.002 -4.450 4.252 349 H LYS 39 HN LYS 39 113.433 -5.359 3.289 350 HA LYS 39 HA LYS 39 114.710 -3.712 1.382 351 HB2 LYS 39 HB2 LYS 39 115.486 -4.149 3.741 352 HB3 LYS 39 HB1 LYS 39 116.054 -5.723 3.190 353 HG2 LYS 39 HG2 LYS 39 117.546 -4.683 1.580 354 HG3 LYS 39 HG1 LYS 39 116.925 -3.085 1.993 355 HD2 LYS 39 HD2 LYS 39 117.742 -3.370 4.307 356 HD3 LYS 39 HD1 LYS 39 118.382 -4.958 3.885 357 HE2 LYS 39 HE2 LYS 39 119.839 -3.904 2.178 358 HE3 LYS 39 HE1 LYS 39 119.219 -2.320 2.643 359 HZ1 LYS 39 HZ1 LYS 39 120.255 -4.003 4.781 360 HZ2 LYS 39 HZ2 LYS 39 120.373 -2.322 4.565 361 HZ3 LYS 39 HZ3 LYS 39 121.397 -3.366 3.701 362 H ASP 40 HN ASP 40 114.296 -7.193 1.555 363 HA ASP 40 HA ASP 40 116.229 -8.200 -0.078 364 HB2 ASP 40 HB2 ASP 40 114.414 -9.552 0.910 365 HB3 ASP 40 HB1 ASP 40 113.278 -8.864 -0.248 366 H THR 41 HN THR 41 113.088 -7.015 -1.322 367 HA THR 41 HA THR 41 114.440 -6.421 -3.886 368 HB THR 41 HB THR 41 112.310 -6.795 -4.984 369 HG1 THR 41 HG1 THR 41 111.255 -7.616 -2.509 370 HG21 THR 41 HG21 THR 41 113.895 -8.725 -4.190 371 HG22 THR 41 HG22 THR 41 112.299 -9.126 -4.826 372 HG23 THR 41 HG23 THR 41 112.576 -9.108 -3.085 373 H CYS 42 HN CYS 42 113.375 -4.950 -1.183 374 HA CYS 42 HA CYS 42 112.406 -2.889 -0.686 375 HB2 CYS 42 HB2 CYS 42 114.095 -1.985 -3.002 376 HB3 CYS 42 HB1 CYS 42 113.691 -1.097 -1.533 377 HG CYS 42 HG CYS 42 115.208 -3.676 -0.937 378 HA PRO 43 HA PRO 43 109.452 -3.168 -4.350 379 HB2 PRO 43 HB2 PRO 43 107.523 -3.500 -2.108 380 HB3 PRO 43 HB1 PRO 43 107.652 -4.408 -3.626 381 HG2 PRO 43 HG2 PRO 43 108.392 -5.477 -1.320 382 HG3 PRO 43 HG1 PRO 43 109.288 -5.794 -2.811 383 HD2 PRO 43 HD2 PRO 43 109.995 -3.962 -0.542 384 HD3 PRO 43 HD1 PRO 43 111.027 -5.033 -1.507 385 H TRP 44 HN TRP 44 109.663 -1.421 -1.355 386 HA TRP 44 HA TRP 44 107.624 0.501 -1.805 387 HB2 TRP 44 HB2 TRP 44 109.822 0.098 0.083 388 HB3 TRP 44 HB1 TRP 44 109.526 1.797 -0.269 389 HD1 TRP 44 HD1 TRP 44 107.631 2.894 1.006 390 HE1 TRP 44 HE1 TRP 44 105.620 2.061 2.387 391 HE3 TRP 44 HE3 TRP 44 108.012 -2.131 0.181 392 HZ2 TRP 44 HZ2 TRP 44 104.342 -0.404 3.049 393 HZ3 TRP 44 HZ3 TRP 44 106.385 -3.699 1.199 394 HH2 TRP 44 HH2 TRP 44 104.550 -2.844 2.631 395 H PHE 45 HN PHE 45 109.495 -0.021 -4.091 396 HA PHE 45 HA PHE 45 110.378 1.151 -5.784 397 HB2 PHE 45 HB2 PHE 45 108.530 2.958 -4.581 398 HB3 PHE 45 HB1 PHE 45 109.916 3.838 -5.221 399 HD1 PHE 45 HD1 PHE 45 110.788 2.733 -7.585 400 HD2 PHE 45 HD2 PHE 45 106.769 2.655 -6.064 401 HE1 PHE 45 HE1 PHE 45 109.921 2.417 -9.886 402 HE2 PHE 45 HE2 PHE 45 105.905 2.340 -8.362 403 HZ PHE 45 HZ PHE 45 107.481 2.219 -10.277 404 HA PRO 46 HA PRO 46 114.098 2.073 -3.266 405 HB2 PRO 46 HB2 PRO 46 115.903 1.257 -5.161 406 HB3 PRO 46 HB1 PRO 46 115.096 0.163 -4.024 407 HG2 PRO 46 HG2 PRO 46 114.512 0.693 -6.880 408 HG3 PRO 46 HG1 PRO 46 114.413 -0.815 -5.958 409 HD2 PRO 46 HD2 PRO 46 112.261 0.710 -6.636 410 HD3 PRO 46 HD1 PRO 46 112.286 -0.374 -5.237 411 H GLN 47 HN GLN 47 112.884 3.434 -6.108 412 HA GLN 47 HA GLN 47 115.138 5.210 -6.611 413 HB2 GLN 47 HB2 GLN 47 112.318 5.177 -7.730 414 HB3 GLN 47 HB1 GLN 47 113.641 6.184 -8.319 415 HG2 GLN 47 HG2 GLN 47 113.739 3.157 -8.218 416 HG3 GLN 47 HG1 GLN 47 113.322 4.084 -9.659 417 HE21 GLN 47 HE21 GLN 47 115.865 2.445 -8.466 418 HE22 GLN 47 HE22 GLN 47 117.148 3.405 -9.029 419 H GLU 48 HN GLU 48 111.701 5.734 -5.786 420 HA GLU 48 HA GLU 48 112.429 8.329 -4.607 421 HB2 GLU 48 HB2 GLU 48 110.563 8.446 -6.109 422 HB3 GLU 48 HB1 GLU 48 109.756 7.095 -5.315 423 HG2 GLU 48 HG2 GLU 48 108.844 9.341 -4.669 424 HG3 GLU 48 HG1 GLU 48 109.411 8.399 -3.298 425 H GLY 49 HN GLY 49 111.581 5.128 -3.691 426 HA2 GLY 49 HA2 GLY 49 111.427 4.127 -1.603 427 HA3 GLY 49 HA1 GLY 49 112.062 5.616 -0.919 428 H THR 50 HN THR 50 109.070 4.452 -2.498 429 HA THR 50 HA THR 50 107.516 5.779 -0.363 430 HB THR 50 HB THR 50 107.508 7.097 -2.509 431 HG1 THR 50 HG1 THR 50 104.923 6.221 -2.333 432 HG21 THR 50 HG21 THR 50 107.601 5.054 -3.985 433 HG22 THR 50 HG22 THR 50 106.335 6.200 -4.424 434 HG23 THR 50 HG23 THR 50 105.918 4.726 -3.553 435 H ILE 51 HN ILE 51 105.161 5.004 -0.455 436 HA ILE 51 HA ILE 51 105.217 2.105 -0.383 437 HB ILE 51 HB ILE 51 102.748 3.718 0.092 438 HG12 ILE 51 HG12 ILE 51 105.237 3.677 1.774 439 HG13 ILE 51 HG11 ILE 51 104.209 5.044 1.348 440 HG21 ILE 51 HG21 ILE 51 102.145 1.931 1.444 441 HG22 ILE 51 HG22 ILE 51 103.812 1.514 1.820 442 HG23 ILE 51 HG23 ILE 51 103.136 1.104 0.247 443 HD11 ILE 51 HD11 ILE 51 103.737 2.902 3.381 444 HD12 ILE 51 HD12 ILE 51 102.383 3.780 2.671 445 HD13 ILE 51 HD13 ILE 51 103.627 4.653 3.562 446 H ASP 52 HN ASP 52 104.157 0.742 -1.761 447 HA ASP 52 HA ASP 52 102.468 1.907 -3.871 448 HB2 ASP 52 HB2 ASP 52 104.727 1.685 -4.819 449 HB3 ASP 52 HB1 ASP 52 104.756 -0.005 -4.334 450 H ILE 53 HN ILE 53 100.634 0.864 -3.964 451 HA ILE 53 HA ILE 53 100.157 -1.578 -2.537 452 HB ILE 53 HB ILE 53 98.337 -0.258 -4.557 453 HG12 ILE 53 HG12 ILE 53 99.017 1.407 -2.909 454 HG13 ILE 53 HG11 ILE 53 97.368 0.911 -2.536 455 HG21 ILE 53 HG21 ILE 53 96.815 -1.805 -3.906 456 HG22 ILE 53 HG22 ILE 53 97.140 -1.496 -2.201 457 HG23 ILE 53 HG23 ILE 53 98.129 -2.649 -3.090 458 HD11 ILE 53 HD11 ILE 53 99.936 0.232 -1.101 459 HD12 ILE 53 HD12 ILE 53 98.562 -0.862 -0.969 460 HD13 ILE 53 HD13 ILE 53 98.416 0.804 -0.426 461 H LYS 54 HN LYS 54 100.527 -0.736 -5.931 462 HA LYS 54 HA LYS 54 99.768 -3.231 -7.016 463 HB2 LYS 54 HB2 LYS 54 100.022 -1.123 -8.335 464 HB3 LYS 54 HB1 LYS 54 101.772 -1.262 -8.148 465 HG2 LYS 54 HG2 LYS 54 101.711 -3.467 -9.274 466 HG3 LYS 54 HG1 LYS 54 99.966 -3.308 -9.462 467 HD2 LYS 54 HD2 LYS 54 100.278 -1.284 -10.821 468 HD3 LYS 54 HD1 LYS 54 102.027 -1.410 -10.619 469 HE2 LYS 54 HE2 LYS 54 102.010 -3.600 -11.743 470 HE3 LYS 54 HE1 LYS 54 100.261 -3.495 -11.938 471 HZ1 LYS 54 HZ1 LYS 54 102.380 -1.980 -13.286 472 HZ2 LYS 54 HZ2 LYS 54 100.874 -1.233 -13.049 473 HZ3 LYS 54 HZ3 LYS 54 100.977 -2.681 -13.933 474 H ARG 55 HN ARG 55 103.038 -1.920 -6.431 475 HA ARG 55 HA ARG 55 104.389 -4.326 -7.049 476 HB2 ARG 55 HB2 ARG 55 105.214 -1.900 -5.473 477 HB3 ARG 55 HB1 ARG 55 106.299 -3.248 -5.775 478 HG2 ARG 55 HG2 ARG 55 105.966 -2.956 -8.205 479 HG3 ARG 55 HG1 ARG 55 104.887 -1.598 -7.892 480 HD2 ARG 55 HD2 ARG 55 106.722 -0.397 -6.762 481 HD3 ARG 55 HD1 ARG 55 107.802 -1.752 -7.073 482 HE ARG 55 HE ARG 55 106.874 0.214 -9.016 483 HH11 ARG 55 HH11 ARG 55 107.902 0.093 -11.038 484 HH12 ARG 55 HH12 ARG 55 108.880 -1.284 -11.426 485 HH21 ARG 55 HH21 ARG 55 108.342 -2.856 -8.382 486 HH22 ARG 55 HH22 ARG 55 109.128 -2.953 -9.922 487 H TRP 56 HN TRP 56 102.995 -3.062 -4.087 488 HA TRP 56 HA TRP 56 104.212 -4.731 -2.240 489 HB2 TRP 56 HB2 TRP 56 102.916 -2.946 -1.396 490 HB3 TRP 56 HB1 TRP 56 101.493 -3.464 -2.298 491 HD1 TRP 56 HD1 TRP 56 99.779 -4.534 -0.781 492 HE1 TRP 56 HE1 TRP 56 99.835 -6.040 1.311 493 HE3 TRP 56 HE3 TRP 56 104.831 -4.939 -0.106 494 HZ2 TRP 56 HZ2 TRP 56 101.765 -7.258 3.035 495 HZ3 TRP 56 HZ3 TRP 56 105.745 -6.279 1.749 496 HH2 TRP 56 HH2 TRP 56 104.227 -7.442 3.319 497 H ARG 57 HN ARG 57 101.411 -5.252 -4.280 498 HA ARG 57 HA ARG 57 100.641 -7.767 -3.188 499 HB2 ARG 57 HB2 ARG 57 100.121 -6.511 -5.901 500 HB3 ARG 57 HB1 ARG 57 99.433 -8.048 -5.387 501 HG2 ARG 57 HG2 ARG 57 98.364 -6.980 -3.466 502 HG3 ARG 57 HG1 ARG 57 99.097 -5.434 -3.892 503 HD2 ARG 57 HD2 ARG 57 97.900 -5.473 -6.056 504 HD3 ARG 57 HD1 ARG 57 97.148 -7.000 -5.604 505 HE ARG 57 HE ARG 57 96.485 -4.359 -4.564 506 HH11 ARG 57 HH11 ARG 57 94.624 -4.302 -3.262 507 HH12 ARG 57 HH12 ARG 57 93.921 -5.781 -2.700 508 HH21 ARG 57 HH21 ARG 57 96.273 -7.799 -4.254 509 HH22 ARG 57 HH22 ARG 57 94.855 -7.761 -3.262 510 H ARG 58 HN ARG 58 102.841 -6.799 -5.780 511 HA ARG 58 HA ARG 58 103.311 -9.352 -6.882 512 HB2 ARG 58 HB2 ARG 58 104.039 -7.223 -7.921 513 HB3 ARG 58 HB1 ARG 58 105.255 -7.042 -6.657 514 HG2 ARG 58 HG2 ARG 58 106.329 -9.132 -7.347 515 HG3 ARG 58 HG1 ARG 58 105.081 -9.392 -8.566 516 HD2 ARG 58 HD2 ARG 58 105.753 -7.227 -9.631 517 HD3 ARG 58 HD1 ARG 58 107.076 -7.113 -8.473 518 HE ARG 58 HE ARG 58 108.210 -8.752 -9.679 519 HH11 ARG 58 HH11 ARG 58 108.452 -10.144 -11.458 520 HH12 ARG 58 HH12 ARG 58 107.081 -10.523 -12.446 521 HH21 ARG 58 HH21 ARG 58 104.881 -8.574 -10.606 522 HH22 ARG 58 HH22 ARG 58 105.059 -9.635 -11.963 523 H VAL 59 HN VAL 59 105.120 -7.592 -4.370 524 HA VAL 59 HA VAL 59 106.985 -9.688 -3.859 525 HB VAL 59 HB VAL 59 107.528 -7.450 -3.154 526 HG11 VAL 59 HG11 VAL 59 105.220 -6.664 -2.860 527 HG12 VAL 59 HG12 VAL 59 106.207 -6.264 -1.461 528 HG13 VAL 59 HG13 VAL 59 105.075 -7.607 -1.384 529 HG21 VAL 59 HG21 VAL 59 107.871 -9.625 -1.581 530 HG22 VAL 59 HG22 VAL 59 106.946 -8.601 -0.474 531 HG23 VAL 59 HG23 VAL 59 108.475 -8.024 -1.148 532 H GLY 60 HN GLY 60 103.881 -8.816 -2.381 533 HA2 GLY 60 HA2 GLY 60 103.944 -10.682 -0.268 534 HA3 GLY 60 HA1 GLY 60 102.492 -9.964 -0.958 535 H ASP 61 HN ASP 61 102.487 -10.878 -3.512 536 HA ASP 61 HA ASP 61 101.558 -13.549 -3.208 537 HB2 ASP 61 HB2 ASP 61 101.944 -11.673 -5.521 538 HB3 ASP 61 HB1 ASP 61 101.621 -13.375 -5.833 539 H CYS 62 HN CYS 62 104.514 -12.132 -4.467 540 HA CYS 62 HA CYS 62 105.615 -14.477 -5.602 541 HB2 CYS 62 HB2 CYS 62 106.877 -11.962 -4.514 542 HB3 CYS 62 HB1 CYS 62 107.826 -13.261 -5.238 543 HG CYS 62 HG CYS 62 106.390 -12.901 -7.461 544 H PHE 63 HN PHE 63 105.722 -13.146 -2.332 545 HA PHE 63 HA PHE 63 107.527 -15.204 -1.389 546 HB2 PHE 63 HB2 PHE 63 106.224 -12.791 -0.252 547 HB3 PHE 63 HB1 PHE 63 106.632 -14.082 0.877 548 HD1 PHE 63 HD1 PHE 63 108.824 -14.280 1.682 549 HD2 PHE 63 HD2 PHE 63 108.093 -12.072 -1.930 550 HE1 PHE 63 HE1 PHE 63 111.203 -13.579 1.627 551 HE2 PHE 63 HE2 PHE 63 110.471 -11.372 -1.984 552 HZ PHE 63 HZ PHE 63 112.026 -12.125 -0.205 553 H GLN 64 HN GLN 64 104.085 -14.438 -1.130 554 HA GLN 64 HA GLN 64 103.427 -16.525 0.659 555 HB2 GLN 64 HB2 GLN 64 101.996 -14.515 0.148 556 HB3 GLN 64 HB1 GLN 64 101.604 -15.270 -1.397 557 HG2 GLN 64 HG2 GLN 64 99.842 -15.861 0.125 558 HG3 GLN 64 HG1 GLN 64 100.831 -17.303 -0.086 559 HE21 GLN 64 HE21 GLN 64 100.538 -18.255 1.990 560 HE22 GLN 64 HE22 GLN 64 101.014 -17.499 3.433 561 H ASP 65 HN ASP 65 103.558 -16.324 -2.850 562 HA ASP 65 HA ASP 65 102.368 -18.845 -3.379 563 HB2 ASP 65 HB2 ASP 65 102.508 -17.244 -5.151 564 HB3 ASP 65 HB1 ASP 65 104.257 -17.122 -4.974 565 H TYR 66 HN TYR 66 105.786 -17.827 -3.239 566 HA TYR 66 HA TYR 66 106.837 -20.435 -3.632 567 HB2 TYR 66 HB2 TYR 66 108.196 -18.464 -4.051 568 HB3 TYR 66 HB1 TYR 66 108.072 -17.987 -2.359 569 HD1 TYR 66 HD1 TYR 66 109.878 -18.528 -0.987 570 HD2 TYR 66 HD2 TYR 66 108.976 -21.045 -4.351 571 HE1 TYR 66 HE1 TYR 66 111.833 -19.951 -0.447 572 HE2 TYR 66 HE2 TYR 66 110.932 -22.467 -3.809 573 HH TYR 66 HH TYR 66 112.739 -22.056 -0.845 574 H TYR 67 HN TYR 67 106.008 -18.574 -0.760 575 HA TYR 67 HA TYR 67 107.117 -20.374 1.127 576 HB2 TYR 67 HB2 TYR 67 106.581 -18.063 1.730 577 HB3 TYR 67 HB1 TYR 67 104.874 -18.368 1.444 578 HD1 TYR 67 HD1 TYR 67 103.581 -18.792 3.333 579 HD2 TYR 67 HD2 TYR 67 107.719 -19.952 3.325 580 HE1 TYR 67 HE1 TYR 67 103.350 -19.638 5.650 581 HE2 TYR 67 HE2 TYR 67 107.486 -20.799 5.641 582 HH TYR 67 HH TYR 67 104.805 -21.582 7.049 583 H ASN 68 HN ASN 68 103.956 -20.098 -0.399 584 HA ASN 68 HA ASN 68 102.565 -21.922 1.206 585 HB2 ASN 68 HB2 ASN 68 102.207 -21.035 -1.648 586 HB3 ASN 68 HB1 ASN 68 101.123 -22.204 -0.897 587 HD21 ASN 68 HD21 ASN 68 100.050 -19.738 -1.696 588 HD22 ASN 68 HD22 ASN 68 99.693 -18.802 -0.326 589 H THR 69 HN THR 69 104.503 -22.396 -1.711 590 HA THR 69 HA THR 69 103.939 -25.022 -2.336 591 HB THR 69 HB THR 69 106.230 -25.177 -3.235 592 HG1 THR 69 HG1 THR 69 107.454 -24.252 -1.688 593 HG21 THR 69 HG21 THR 69 104.533 -22.765 -3.612 594 HG22 THR 69 HG22 THR 69 105.047 -23.973 -4.783 595 HG23 THR 69 HG23 THR 69 106.159 -22.698 -4.287 596 H PHE 70 HN PHE 70 105.460 -23.843 0.505 597 HA PHE 70 HA PHE 70 106.557 -26.448 1.197 598 HB2 PHE 70 HB2 PHE 70 106.542 -23.803 2.670 599 HB3 PHE 70 HB1 PHE 70 107.311 -25.270 3.275 600 HD1 PHE 70 HD1 PHE 70 109.332 -26.155 2.248 601 HD2 PHE 70 HD2 PHE 70 107.415 -22.639 0.697 602 HE1 PHE 70 HE1 PHE 70 111.343 -25.663 0.882 603 HE2 PHE 70 HE2 PHE 70 109.424 -22.149 -0.675 604 HZ PHE 70 HZ PHE 70 111.387 -23.662 -0.579 605 H GLY 71 HN GLY 71 103.574 -25.629 0.998 606 HA2 GLY 71 HA2 GLY 71 101.614 -25.877 2.216 607 HA3 GLY 71 HA1 GLY 71 102.370 -27.408 2.644 608 HA PRO 72 HA PRO 72 103.540 -24.615 6.300 609 HB2 PRO 72 HB2 PRO 72 103.137 -21.930 6.163 610 HB3 PRO 72 HB1 PRO 72 104.581 -22.724 5.504 611 HG2 PRO 72 HG2 PRO 72 102.210 -21.648 4.095 612 HG3 PRO 72 HG1 PRO 72 103.896 -21.739 3.577 613 HD2 PRO 72 HD2 PRO 72 101.866 -23.491 2.777 614 HD3 PRO 72 HD1 PRO 72 103.610 -23.758 2.612 615 H GLU 73 HN GLU 73 102.217 -24.821 8.019 616 HA GLU 73 HA GLU 73 99.366 -24.311 7.704 617 HB2 GLU 73 HB2 GLU 73 100.129 -26.406 8.763 618 HB3 GLU 73 HB1 GLU 73 100.902 -25.468 10.042 619 HG2 GLU 73 HG2 GLU 73 98.770 -24.563 10.749 620 HG3 GLU 73 HG1 GLU 73 97.948 -25.318 9.384 621 H LYS 74 HN LYS 74 102.153 -22.885 9.169 622 HA LYS 74 HA LYS 74 100.865 -21.341 11.166 623 HB2 LYS 74 HB2 LYS 74 103.350 -20.424 9.740 624 HB3 LYS 74 HB1 LYS 74 102.917 -20.252 11.444 625 HG2 LYS 74 HG2 LYS 74 103.655 -22.833 10.021 626 HG3 LYS 74 HG1 LYS 74 104.632 -21.996 11.224 627 HD2 LYS 74 HD2 LYS 74 102.676 -22.279 12.831 628 HD3 LYS 74 HD1 LYS 74 101.961 -23.359 11.629 629 HE2 LYS 74 HE2 LYS 74 103.947 -24.801 11.713 630 HE3 LYS 74 HE1 LYS 74 104.695 -23.715 12.884 631 HZ1 LYS 74 HZ1 LYS 74 102.033 -24.819 13.446 632 HZ2 LYS 74 HZ2 LYS 74 103.246 -24.326 14.528 633 HZ3 LYS 74 HZ3 LYS 74 103.399 -25.796 13.688 634 H VAL 75 HN VAL 75 101.858 -20.575 7.830 635 HA VAL 75 HA VAL 75 101.492 -18.578 6.646 636 HB VAL 75 HB VAL 75 98.778 -19.732 7.220 637 HG11 VAL 75 HG11 VAL 75 98.061 -17.781 6.306 638 HG12 VAL 75 HG12 VAL 75 98.622 -18.488 4.791 639 HG13 VAL 75 HG13 VAL 75 99.657 -17.372 5.680 640 HG21 VAL 75 HG21 VAL 75 99.179 -21.118 5.406 641 HG22 VAL 75 HG22 VAL 75 100.845 -20.915 5.955 642 HG23 VAL 75 HG23 VAL 75 100.234 -19.944 4.614 643 HA PRO 76 HA PRO 76 100.726 -15.916 10.403 644 HB2 PRO 76 HB2 PRO 76 102.479 -14.178 8.716 645 HB3 PRO 76 HB1 PRO 76 102.573 -14.516 10.456 646 HG2 PRO 76 HG2 PRO 76 104.290 -15.616 8.758 647 HG3 PRO 76 HG1 PRO 76 103.651 -16.535 10.134 648 HD2 PRO 76 HD2 PRO 76 102.927 -16.708 7.242 649 HD3 PRO 76 HD1 PRO 76 103.034 -18.007 8.458 650 H VAL 77 HN VAL 77 98.903 -14.774 10.439 651 HA VAL 77 HA VAL 77 97.700 -13.761 7.991 652 HB VAL 77 HB VAL 77 96.767 -13.535 10.854 653 HG11 VAL 77 HG11 VAL 77 95.636 -11.892 9.567 654 HG12 VAL 77 HG12 VAL 77 94.525 -13.259 9.653 655 HG13 VAL 77 HG13 VAL 77 95.467 -12.978 8.189 656 HG21 VAL 77 HG21 VAL 77 95.224 -15.347 9.224 657 HG22 VAL 77 HG22 VAL 77 96.145 -15.737 10.675 658 HG23 VAL 77 HG23 VAL 77 96.920 -15.819 9.088 659 H THR 78 HN THR 78 99.654 -12.525 10.526 660 HA THR 78 HA THR 78 98.959 -9.890 10.778 661 HB THR 78 HB THR 78 101.310 -9.417 11.214 662 HG1 THR 78 HG1 THR 78 102.680 -10.394 9.983 663 HG21 THR 78 HG21 THR 78 100.830 -10.503 13.134 664 HG22 THR 78 HG22 THR 78 101.654 -11.895 12.436 665 HG23 THR 78 HG23 THR 78 99.906 -11.744 12.291 666 H ALA 79 HN ALA 79 100.366 -11.480 7.999 667 HA ALA 79 HA ALA 79 101.267 -9.258 6.562 668 HB1 ALA 79 HB1 ALA 79 100.350 -12.007 5.861 669 HB2 ALA 79 HB2 ALA 79 101.909 -11.227 5.567 670 HB3 ALA 79 HB3 ALA 79 100.518 -10.827 4.558 671 H PHE 80 HN PHE 80 98.049 -10.579 6.998 672 HA PHE 80 HA PHE 80 96.801 -9.031 4.939 673 HB2 PHE 80 HB2 PHE 80 95.795 -10.684 7.239 674 HB3 PHE 80 HB1 PHE 80 94.688 -9.691 6.302 675 HD1 PHE 80 HD1 PHE 80 94.067 -10.277 4.059 676 HD2 PHE 80 HD2 PHE 80 97.127 -12.480 6.117 677 HE1 PHE 80 HE1 PHE 80 94.011 -12.009 2.285 678 HE2 PHE 80 HE2 PHE 80 97.072 -14.213 4.343 679 HZ PHE 80 HZ PHE 80 95.514 -13.977 2.427 680 H SER 81 HN SER 81 97.399 -8.596 8.376 681 HA SER 81 HA SER 81 95.683 -6.347 8.720 682 HB2 SER 81 HB2 SER 81 96.978 -5.997 10.808 683 HB3 SER 81 HB1 SER 81 96.413 -7.657 10.633 684 HG SER 81 HG SER 81 99.000 -6.620 10.083 685 H TYR 82 HN TYR 82 99.102 -6.729 7.907 686 HA TYR 82 HA TYR 82 99.844 -4.017 8.065 687 HB2 TYR 82 HB2 TYR 82 100.945 -6.468 6.875 688 HB3 TYR 82 HB1 TYR 82 101.448 -4.983 6.079 689 HD1 TYR 82 HD1 TYR 82 102.694 -3.258 7.299 690 HD2 TYR 82 HD2 TYR 82 101.573 -6.955 9.177 691 HE1 TYR 82 HE1 TYR 82 104.284 -2.802 9.149 692 HE2 TYR 82 HE2 TYR 82 103.161 -6.498 11.027 693 HH TYR 82 HH TYR 82 105.589 -4.606 10.938 694 H TRP 83 HN TRP 83 98.657 -5.957 5.327 695 HA TRP 83 HA TRP 83 98.826 -3.972 3.361 696 HB2 TRP 83 HB2 TRP 83 98.399 -6.200 2.658 697 HB3 TRP 83 HB1 TRP 83 96.973 -6.329 3.687 698 HD1 TRP 83 HD1 TRP 83 98.146 -3.991 0.823 699 HE1 TRP 83 HE1 TRP 83 96.120 -3.521 -0.700 700 HE3 TRP 83 HE3 TRP 83 94.549 -6.642 3.296 701 HZ2 TRP 83 HZ2 TRP 83 93.341 -4.181 -0.850 702 HZ3 TRP 83 HZ3 TRP 83 92.224 -6.703 2.443 703 HH2 TRP 83 HH2 TRP 83 91.615 -5.478 0.374 704 H ASN 84 HN ASN 84 96.165 -4.756 5.576 705 HA ASN 84 HA ASN 84 94.318 -2.899 4.539 706 HB2 ASN 84 HB2 ASN 84 94.635 -4.214 7.239 707 HB3 ASN 84 HB1 ASN 84 93.334 -3.072 6.914 708 HD21 ASN 84 HD21 ASN 84 92.811 -5.836 7.500 709 HD22 ASN 84 HD22 ASN 84 92.170 -6.557 6.102 710 H LEU 85 HN LEU 85 96.696 -2.593 7.191 711 HA LEU 85 HA LEU 85 95.943 0.028 7.890 712 HB2 LEU 85 HB2 LEU 85 97.148 -1.397 9.444 713 HB3 LEU 85 HB1 LEU 85 98.527 -1.469 8.348 714 HG LEU 85 HG LEU 85 98.829 0.968 8.544 715 HD11 LEU 85 HD11 LEU 85 97.435 1.941 10.593 716 HD12 LEU 85 HD12 LEU 85 96.286 0.694 10.108 717 HD13 LEU 85 HD13 LEU 85 96.765 1.943 8.960 718 HD21 LEU 85 HD21 LEU 85 99.871 -0.648 10.190 719 HD22 LEU 85 HD22 LEU 85 98.549 -0.293 11.296 720 HD23 LEU 85 HD23 LEU 85 99.669 0.985 10.820 721 H ILE 86 HN ILE 86 98.601 -1.264 5.920 722 HA ILE 86 HA ILE 86 99.752 1.201 5.247 723 HB ILE 86 HB ILE 86 99.991 -1.571 4.334 724 HG12 ILE 86 HG12 ILE 86 102.127 0.562 4.327 725 HG13 ILE 86 HG11 ILE 86 101.523 -0.076 5.865 726 HG21 ILE 86 HG21 ILE 86 101.271 -0.808 2.278 727 HG22 ILE 86 HG22 ILE 86 100.461 0.737 2.453 728 HG23 ILE 86 HG23 ILE 86 99.516 -0.720 2.158 729 HD11 ILE 86 HD11 ILE 86 102.584 -1.795 3.613 730 HD12 ILE 86 HD12 ILE 86 102.101 -2.336 5.221 731 HD13 ILE 86 HD13 ILE 86 103.518 -1.303 5.027 732 H LYS 87 HN LYS 87 97.189 -0.699 3.765 733 HA LYS 87 HA LYS 87 96.927 0.609 1.340 734 HB2 LYS 87 HB2 LYS 87 95.517 -1.204 1.461 735 HB3 LYS 87 HB1 LYS 87 95.065 -0.875 3.135 736 HG2 LYS 87 HG2 LYS 87 93.562 0.874 2.493 737 HG3 LYS 87 HG1 LYS 87 94.201 0.910 0.842 738 HD2 LYS 87 HD2 LYS 87 93.306 -1.331 0.442 739 HD3 LYS 87 HD1 LYS 87 92.725 -1.418 2.106 740 HE2 LYS 87 HE2 LYS 87 91.287 0.567 1.681 741 HE3 LYS 87 HE1 LYS 87 91.838 0.586 0.006 742 HZ1 LYS 87 HZ1 LYS 87 90.467 -1.700 1.309 743 HZ2 LYS 87 HZ2 LYS 87 90.916 -1.591 -0.326 744 HZ3 LYS 87 HZ3 LYS 87 89.709 -0.570 0.297 745 H GLU 88 HN GLU 88 95.456 1.471 4.497 746 HA GLU 88 HA GLU 88 94.213 3.795 3.365 747 HB2 GLU 88 HB2 GLU 88 93.117 3.943 5.381 748 HB3 GLU 88 HB1 GLU 88 93.609 2.257 5.461 749 HG2 GLU 88 HG2 GLU 88 94.309 3.042 7.532 750 HG3 GLU 88 HG1 GLU 88 95.770 3.200 6.584 751 H LEU 89 HN LEU 89 97.295 3.037 4.698 752 HA LEU 89 HA LEU 89 97.952 5.468 5.882 753 HB2 LEU 89 HB2 LEU 89 99.188 3.153 5.733 754 HB3 LEU 89 HB1 LEU 89 100.027 3.911 4.394 755 HG LEU 89 HG LEU 89 101.309 4.298 6.410 756 HD11 LEU 89 HD11 LEU 89 100.849 6.190 4.708 757 HD12 LEU 89 HD12 LEU 89 101.561 6.618 6.258 758 HD13 LEU 89 HD13 LEU 89 99.842 6.873 5.983 759 HD21 LEU 89 HD21 LEU 89 100.377 4.706 8.449 760 HD22 LEU 89 HD22 LEU 89 98.854 4.234 7.697 761 HD23 LEU 89 HD23 LEU 89 99.299 5.933 7.789 762 H ILE 90 HN ILE 90 98.291 4.334 2.551 763 HA ILE 90 HA ILE 90 99.706 6.551 1.569 764 HB ILE 90 HB ILE 90 97.794 4.636 0.186 765 HG12 ILE 90 HG12 ILE 90 100.805 4.861 0.433 766 HG13 ILE 90 HG11 ILE 90 99.788 3.573 1.047 767 HG21 ILE 90 HG21 ILE 90 99.693 6.678 -1.047 768 HG22 ILE 90 HG22 ILE 90 97.937 6.789 -1.080 769 HG23 ILE 90 HG23 ILE 90 98.742 5.499 -1.938 770 HD11 ILE 90 HD11 ILE 90 100.705 2.709 -0.992 771 HD12 ILE 90 HD12 ILE 90 100.408 4.221 -1.842 772 HD13 ILE 90 HD13 ILE 90 99.056 3.188 -1.387 773 H ASP 91 HN ASP 91 96.216 5.905 1.812 774 HA ASP 91 HA ASP 91 95.336 8.237 0.477 775 HB2 ASP 91 HB2 ASP 91 94.014 6.453 2.528 776 HB3 ASP 91 HB1 ASP 91 93.183 7.793 1.739 777 H LYS 92 HN LYS 92 96.905 7.868 3.427 778 HA LYS 92 HA LYS 92 95.635 9.895 4.963 779 HB2 LYS 92 HB2 LYS 92 97.341 8.033 5.674 780 HB3 LYS 92 HB1 LYS 92 98.552 9.246 5.256 781 HG2 LYS 92 HG2 LYS 92 97.543 10.838 6.811 782 HG3 LYS 92 HG1 LYS 92 96.250 9.698 7.182 783 HD2 LYS 92 HD2 LYS 92 97.931 8.090 8.042 784 HD3 LYS 92 HD1 LYS 92 99.198 9.276 7.730 785 HE2 LYS 92 HE2 LYS 92 98.118 10.860 9.270 786 HE3 LYS 92 HE1 LYS 92 96.828 9.697 9.573 787 HZ1 LYS 92 HZ1 LYS 92 99.387 8.519 9.943 788 HZ2 LYS 92 HZ2 LYS 92 98.086 8.627 11.029 789 HZ3 LYS 92 HZ3 LYS 92 99.213 9.893 10.921 790 H LYS 93 HN LYS 93 95.885 12.051 4.979 791 HA LYS 93 HA LYS 93 97.085 13.378 2.795 792 HB2 LYS 93 HB2 LYS 93 95.185 14.189 4.344 793 HB3 LYS 93 HB1 LYS 93 96.478 14.711 5.425 794 HG2 LYS 93 HG2 LYS 93 97.430 16.127 3.694 795 HG3 LYS 93 HG1 LYS 93 96.271 15.524 2.509 796 HD2 LYS 93 HD2 LYS 93 94.418 16.434 3.897 797 HD3 LYS 93 HD1 LYS 93 95.612 17.113 5.003 798 HE2 LYS 93 HE2 LYS 93 95.536 17.742 2.041 799 HE3 LYS 93 HE1 LYS 93 94.755 18.740 3.267 800 HZ1 LYS 93 HZ1 LYS 93 97.573 18.416 2.659 801 HZ2 LYS 93 HZ2 LYS 93 97.186 18.477 4.312 802 HZ3 LYS 93 HZ3 LYS 93 96.743 19.756 3.287 803 H GLU 94 HN GLU 94 98.249 12.487 5.954 804 HA GLU 94 HA GLU 94 100.494 14.224 6.041 805 HB2 GLU 94 HB2 GLU 94 99.909 11.607 7.429 806 HB3 GLU 94 HB1 GLU 94 101.349 12.575 7.750 807 HG2 GLU 94 HG2 GLU 94 99.919 14.498 8.353 808 HG3 GLU 94 HG1 GLU 94 98.483 13.523 8.045 809 H VAL 95 HN VAL 95 100.664 13.496 3.517 810 HA VAL 95 HA VAL 95 102.719 11.382 3.374 811 HB VAL 95 HB VAL 95 102.160 11.496 0.871 812 HG11 VAL 95 HG11 VAL 95 100.467 10.410 3.080 813 HG12 VAL 95 HG12 VAL 95 101.404 9.552 1.858 814 HG13 VAL 95 HG13 VAL 95 99.859 10.285 1.428 815 HG21 VAL 95 HG21 VAL 95 100.895 13.701 1.178 816 HG22 VAL 95 HG22 VAL 95 99.617 12.752 1.930 817 HG23 VAL 95 HG23 VAL 95 100.055 12.462 0.249 818 H ASN 96 HN ASN 96 104.741 11.939 2.880 819 HA ASN 96 HA ASN 96 105.476 14.666 2.658 820 HB2 ASN 96 HB2 ASN 96 106.818 12.099 2.891 821 HB3 ASN 96 HB1 ASN 96 107.668 13.174 1.787 822 HD21 ASN 96 HD21 ASN 96 109.148 14.511 2.841 823 HD22 ASN 96 HD22 ASN 96 109.005 15.046 4.446 824 HA PRO 97 HA PRO 97 105.542 15.816 -1.591 825 HB2 PRO 97 HB2 PRO 97 108.520 15.642 -1.535 826 HB3 PRO 97 HB1 PRO 97 107.477 16.965 -2.087 827 HG2 PRO 97 HG2 PRO 97 108.764 16.997 0.287 828 HG3 PRO 97 HG1 PRO 97 107.225 17.821 0.000 829 HD2 PRO 97 HD2 PRO 97 107.771 15.460 1.642 830 HD3 PRO 97 HD1 PRO 97 106.345 16.514 1.623 831 H GLN 98 HN GLN 98 107.390 13.058 -0.531 832 HA GLN 98 HA GLN 98 108.268 11.852 -2.818 833 HB2 GLN 98 HB2 GLN 98 108.272 9.858 -1.644 834 HB3 GLN 98 HB1 GLN 98 108.129 11.009 -0.315 835 HG2 GLN 98 HG2 GLN 98 105.574 10.767 -0.668 836 HG3 GLN 98 HG1 GLN 98 105.984 9.302 -1.562 837 HE21 GLN 98 HE21 GLN 98 105.851 7.496 -0.240 838 HE22 GLN 98 HE22 GLN 98 106.261 7.459 1.407 839 H VAL 99 HN VAL 99 105.045 12.694 -2.102 840 HA VAL 99 HA VAL 99 103.619 10.732 -3.547 841 HB VAL 99 HB VAL 99 102.975 13.653 -3.065 842 HG11 VAL 99 HG11 VAL 99 101.384 11.347 -4.185 843 HG12 VAL 99 HG12 VAL 99 101.564 12.975 -4.837 844 HG13 VAL 99 HG13 VAL 99 100.590 12.707 -3.392 845 HG21 VAL 99 HG21 VAL 99 101.478 11.612 -1.610 846 HG22 VAL 99 HG22 VAL 99 102.321 13.033 -0.993 847 HG23 VAL 99 HG23 VAL 99 103.207 11.534 -1.271 848 H MET 100 HN MET 100 104.951 13.883 -4.541 849 HA MET 100 HA MET 100 104.066 13.738 -7.236 850 HB2 MET 100 HB2 MET 100 104.746 15.848 -6.149 851 HB3 MET 100 HB1 MET 100 106.409 15.265 -6.088 852 HG2 MET 100 HG2 MET 100 106.541 15.174 -8.500 853 HG3 MET 100 HG1 MET 100 104.818 15.524 -8.654 854 HE1 MET 100 HE1 MET 100 108.315 16.757 -8.437 855 HE2 MET 100 HE2 MET 100 107.965 16.889 -6.716 856 HE3 MET 100 HE3 MET 100 108.265 18.344 -7.661 857 H ALA 101 HN ALA 101 106.967 12.651 -5.580 858 HA ALA 101 HA ALA 101 108.248 11.847 -8.053 859 HB1 ALA 101 HB1 ALA 101 109.852 10.741 -6.261 860 HB2 ALA 101 HB2 ALA 101 108.979 11.790 -5.136 861 HB3 ALA 101 HB3 ALA 101 109.870 12.494 -6.488 862 H ALA 102 HN ALA 102 106.097 10.513 -5.794 863 HA ALA 102 HA ALA 102 106.754 7.744 -6.112 864 HB1 ALA 102 HB1 ALA 102 105.495 8.367 -4.172 865 HB2 ALA 102 HB2 ALA 102 104.432 7.377 -5.185 866 HB3 ALA 102 HB3 ALA 102 104.248 9.132 -5.162 867 H VAL 103 HN VAL 103 104.228 9.812 -7.522 868 HA VAL 103 HA VAL 103 103.139 7.878 -9.255 869 HB VAL 103 HB VAL 103 103.220 10.894 -9.330 870 HG11 VAL 103 HG11 VAL 103 103.009 10.405 -11.628 871 HG12 VAL 103 HG12 VAL 103 101.328 10.480 -11.101 872 HG13 VAL 103 HG13 VAL 103 102.112 8.917 -11.330 873 HG21 VAL 103 HG21 VAL 103 101.732 9.105 -7.840 874 HG22 VAL 103 HG22 VAL 103 100.668 9.402 -9.210 875 HG23 VAL 103 HG23 VAL 103 101.226 10.749 -8.218 876 H ALA 104 HN ALA 104 105.714 10.272 -9.715 877 HA ALA 104 HA ALA 104 106.267 10.166 -12.362 878 HB1 ALA 104 HB1 ALA 104 108.286 9.953 -10.114 879 HB2 ALA 104 HB2 ALA 104 107.657 11.440 -10.832 880 HB3 ALA 104 HB3 ALA 104 108.681 10.366 -11.785 881 H GLN 105 HN GLN 105 107.229 7.690 -9.997 882 HA GLN 105 HA GLN 105 107.958 5.910 -12.239 883 HB2 GLN 105 HB2 GLN 105 108.671 5.749 -9.301 884 HB3 GLN 105 HB1 GLN 105 109.178 4.604 -10.542 885 HG2 GLN 105 HG2 GLN 105 109.784 7.569 -10.624 886 HG3 GLN 105 HG1 GLN 105 110.908 6.345 -10.034 887 HE21 GLN 105 HE21 GLN 105 110.184 8.110 -12.767 888 HE22 GLN 105 HE22 GLN 105 110.791 7.049 -13.946 889 H THR 106 HN THR 106 105.785 5.323 -12.719 890 HA THR 106 HA THR 106 104.511 3.599 -10.676 891 HB THR 106 HB THR 106 102.431 4.024 -12.161 892 HG1 THR 106 HG1 THR 106 103.053 5.134 -13.850 893 HG21 THR 106 HG21 THR 106 102.452 6.510 -11.041 894 HG22 THR 106 HG22 THR 106 103.727 5.719 -10.116 895 HG23 THR 106 HG23 THR 106 102.104 5.030 -10.148 896 H GLU 107 HN GLU 107 106.084 3.672 -13.667 897 HA GLU 107 HA GLU 107 104.746 1.446 -14.903 898 HB2 GLU 107 HB2 GLU 107 107.458 2.700 -15.445 899 HB3 GLU 107 HB1 GLU 107 106.678 1.488 -16.461 900 HG2 GLU 107 HG2 GLU 107 104.803 2.954 -16.912 901 HG3 GLU 107 HG1 GLU 107 105.411 4.154 -15.772 902 H GLU 108 HN GLU 108 106.388 -0.412 -15.645 903 HA GLU 108 HA GLU 108 107.558 -1.498 -13.153 904 HB2 GLU 108 HB2 GLU 108 106.319 -2.884 -15.536 905 HB3 GLU 108 HB1 GLU 108 107.206 -3.730 -14.268 906 HG2 GLU 108 HG2 GLU 108 104.824 -1.933 -13.740 907 HG3 GLU 108 HG1 GLU 108 104.704 -3.682 -13.923 908 H ILE 109 HN ILE 109 109.693 -1.660 -13.105 909 HA ILE 109 HA ILE 109 111.403 -0.892 -15.141 910 HB ILE 109 HB ILE 109 113.177 -2.124 -13.849 911 HG12 ILE 109 HG12 ILE 109 110.863 -2.960 -12.074 912 HG13 ILE 109 HG11 ILE 109 111.647 -4.034 -13.224 913 HG21 ILE 109 HG21 ILE 109 112.592 -0.929 -11.604 914 HG22 ILE 109 HG22 ILE 109 111.166 -0.350 -12.458 915 HG23 ILE 109 HG23 ILE 109 112.778 0.063 -13.048 916 HD11 ILE 109 HD11 ILE 109 112.576 -4.301 -10.947 917 HD12 ILE 109 HD12 ILE 109 113.059 -2.605 -10.967 918 HD13 ILE 109 HD13 ILE 109 113.792 -3.743 -12.098 919 H LEU 110 HN LEU 110 109.918 -3.996 -14.559 920 HA LEU 110 HA LEU 110 111.562 -5.566 -16.240 921 HB2 LEU 110 HB2 LEU 110 108.656 -5.996 -15.619 922 HB3 LEU 110 HB1 LEU 110 109.811 -7.214 -16.145 923 HG LEU 110 HG LEU 110 109.977 -5.634 -13.563 924 HD11 LEU 110 HD11 LEU 110 108.780 -7.266 -12.591 925 HD12 LEU 110 HD12 LEU 110 109.802 -8.511 -13.311 926 HD13 LEU 110 HD13 LEU 110 108.417 -7.881 -14.203 927 HD21 LEU 110 HD21 LEU 110 111.726 -7.585 -13.185 928 HD22 LEU 110 HD22 LEU 110 112.205 -6.135 -14.065 929 HD23 LEU 110 HD23 LEU 110 111.780 -7.601 -14.947 930 H LYS 111 HN LYS 111 108.768 -3.532 -16.834 931 HA LYS 111 HA LYS 111 107.738 -4.214 -19.191 932 HB2 LYS 111 HB2 LYS 111 107.150 -2.123 -18.040 933 HB3 LYS 111 HB1 LYS 111 108.693 -1.425 -18.522 934 HG2 LYS 111 HG2 LYS 111 108.106 -1.598 -20.874 935 HG3 LYS 111 HG1 LYS 111 106.616 -2.453 -20.472 936 HD2 LYS 111 HD2 LYS 111 105.817 -0.462 -19.245 937 HD3 LYS 111 HD1 LYS 111 107.302 0.391 -19.668 938 HE2 LYS 111 HE2 LYS 111 106.766 0.181 -22.052 939 HE3 LYS 111 HE1 LYS 111 105.301 -0.722 -21.658 940 HZ1 LYS 111 HZ1 LYS 111 104.245 1.132 -20.965 941 HZ2 LYS 111 HZ2 LYS 111 105.325 1.885 -22.038 942 HZ3 LYS 111 HZ3 LYS 111 105.653 1.866 -20.371 943 H SER 112 HN SER 112 109.087 -5.406 -20.514 944 HA SER 112 HA SER 112 111.595 -4.411 -21.421 945 HB2 SER 112 HB2 SER 112 111.527 -6.345 -22.981 946 HB3 SER 112 HB1 SER 112 111.209 -6.812 -21.313 947 HG SER 112 HG SER 112 109.492 -7.670 -22.204 948 H ASN 113 HN ASN 113 108.438 -3.702 -22.217 949 HA ASN 113 HA ASN 113 108.559 -3.316 -25.010 950 HB2 ASN 113 HB2 ASN 113 106.893 -1.941 -22.892 951 HB3 ASN 113 HB1 ASN 113 106.680 -1.684 -24.618 952 HD21 ASN 113 HD21 ASN 113 104.951 -3.106 -22.471 953 HD22 ASN 113 HD22 ASN 113 104.602 -4.607 -23.179 954 H SER 114 HN SER 114 109.354 -1.183 -22.303 955 HA SER 114 HA SER 114 111.343 0.227 -23.664 956 HB2 SER 114 HB2 SER 114 109.766 1.246 -25.095 957 HB3 SER 114 HB1 SER 114 108.607 1.470 -23.789 958 HG SER 114 HG SER 114 110.497 2.781 -22.879 959 H GLN 115 HN GLN 115 112.334 -0.058 -21.643 960 HA GLN 115 HA GLN 115 112.060 2.099 -19.842 961 HB2 GLN 115 HB2 GLN 115 110.080 0.379 -19.379 962 HB3 GLN 115 HB1 GLN 115 111.323 -0.390 -18.400 963 HG2 GLN 115 HG2 GLN 115 111.734 1.765 -17.238 964 HG3 GLN 115 HG1 GLN 115 110.469 2.519 -18.202 965 HE21 GLN 115 HE21 GLN 115 110.594 2.042 -15.208 966 HE22 GLN 115 HE22 GLN 115 109.180 1.174 -14.853 967 H THR 116 HN THR 116 112.856 0.471 -17.513 968 HA THR 116 HA THR 116 115.649 0.553 -17.848 969 HB THR 116 HB THR 116 114.207 -1.164 -15.811 970 HG1 THR 116 HG1 THR 116 114.913 1.539 -15.449 971 HG21 THR 116 HG21 THR 116 116.845 0.325 -15.844 972 HG22 THR 116 HG22 THR 116 116.620 -1.424 -15.853 973 HG23 THR 116 HG23 THR 116 116.169 -0.484 -14.431 974 H ASP 117 HN ASP 117 113.383 -2.179 -17.975 975 HA ASP 117 HA ASP 117 115.271 -4.232 -18.279 976 HB2 ASP 117 HB2 ASP 117 112.906 -4.672 -17.815 977 HB3 ASP 117 HB1 ASP 117 112.471 -4.038 -19.390 978 H LEU 118 HN LEU 118 113.600 -2.254 -20.720 979 HA LEU 118 HA LEU 118 115.811 -2.394 -22.510 980 HB2 LEU 118 HB2 LEU 118 114.879 -4.665 -22.864 981 HB3 LEU 118 HB1 LEU 118 113.333 -3.945 -23.304 982 HG LEU 118 HG LEU 118 114.456 -2.722 -25.167 983 HD11 LEU 118 HD11 LEU 118 116.689 -2.439 -24.695 984 HD12 LEU 118 HD12 LEU 118 116.807 -3.899 -25.675 985 HD13 LEU 118 HD13 LEU 118 116.838 -4.014 -23.917 986 HD21 LEU 118 HD21 LEU 118 114.105 -5.599 -24.932 987 HD22 LEU 118 HD22 LEU 118 115.329 -5.187 -26.132 988 HD23 LEU 118 HD23 LEU 118 113.700 -4.526 -26.273 989 H GLU 119 HN GLU 119 115.510 -0.128 -22.459 990 HA GLU 119 HA GLU 119 113.221 1.338 -22.795 991 HB2 GLU 119 HB2 GLU 119 115.950 1.877 -24.022 992 HB3 GLU 119 HB1 GLU 119 114.666 3.073 -23.846 993 HG2 GLU 119 HG2 GLU 119 115.841 1.525 -21.527 994 HG3 GLU 119 HG1 GLU 119 116.390 3.127 -22.005 995 H HIS 120 HN HIS 120 114.819 -0.669 -25.134 996 HA HIS 120 HA HIS 120 114.330 -1.210 -27.313 997 HB2 HIS 120 HB2 HIS 120 112.120 -1.697 -26.214 998 HB3 HIS 120 HB1 HIS 120 111.595 -0.080 -26.687 999 HD1 HIS 120 HD1 HIS 120 111.144 0.353 -29.194 1000 HD2 HIS 120 HD2 HIS 120 112.422 -3.533 -28.390 1001 HE1 HIS 120 HE1 HIS 120 110.756 -0.981 -31.312 1002 HE2 HIS 120 HE2 HIS 120 111.531 -3.353 -30.838 1003 H HIS 121 HN HIS 121 114.645 1.842 -26.281 1004 HA HIS 121 HA HIS 121 114.116 3.030 -28.937 1005 HB2 HIS 121 HB2 HIS 121 114.234 4.327 -26.208 1006 HB3 HIS 121 HB1 HIS 121 114.096 5.213 -27.726 1007 HD1 HIS 121 HD1 HIS 121 112.010 3.981 -29.304 1008 HD2 HIS 121 HD2 HIS 121 111.718 3.985 -25.146 1009 HE1 HIS 121 HE1 HIS 121 109.563 3.624 -28.757 1010 HE2 HIS 121 HE2 HIS 121 109.369 3.624 -26.225 1011 H HIS 122 HN HIS 122 115.828 3.586 -30.105 1012 HA HIS 122 HA HIS 122 118.431 3.906 -28.730 1013 HB2 HIS 122 HB2 HIS 122 117.802 2.841 -31.487 1014 HB3 HIS 122 HB1 HIS 122 119.430 3.216 -30.924 1015 HD1 HIS 122 HD1 HIS 122 116.562 0.844 -30.322 1016 HD2 HIS 122 HD2 HIS 122 120.510 1.360 -29.082 1017 HE1 HIS 122 HE1 HIS 122 117.199 -1.260 -29.061 1018 HE2 HIS 122 HE2 HIS 122 119.603 -0.960 -28.299 1019 H HIS 123 HN HIS 123 119.480 5.783 -28.971 1020 HA HIS 123 HA HIS 123 118.220 8.022 -30.164 1021 HB2 HIS 123 HB2 HIS 123 121.019 7.544 -29.144 1022 HB3 HIS 123 HB1 HIS 123 120.504 9.097 -29.801 1023 HD1 HIS 123 HD1 HIS 123 119.345 6.611 -27.146 1024 HD2 HIS 123 HD2 HIS 123 119.282 10.707 -27.918 1025 HE1 HIS 123 HE1 HIS 123 118.308 7.707 -25.111 1026 HE2 HIS 123 HE2 HIS 123 118.261 10.205 -25.567 1027 H HIS 124 HN HIS 124 120.893 5.939 -31.212 1028 HA HIS 124 HA HIS 124 121.479 7.385 -33.589 1029 HB2 HIS 124 HB2 HIS 124 122.065 4.566 -32.695 1030 HB3 HIS 124 HB1 HIS 124 122.577 5.181 -34.265 1031 HD1 HIS 124 HD1 HIS 124 123.053 5.802 -30.561 1032 HD2 HIS 124 HD2 HIS 124 124.785 6.913 -34.187 1033 HE1 HIS 124 HE1 HIS 124 125.192 7.031 -29.986 1034 HE2 HIS 124 HE2 HIS 124 126.260 7.714 -32.185 1035 H HIS 125 HN HIS 125 119.317 4.701 -32.838 1036 HA HIS 125 HA HIS 125 117.604 3.738 -34.023 1037 HB2 HIS 125 HB2 HIS 125 116.962 6.179 -34.238 1038 HB3 HIS 125 HB1 HIS 125 117.746 6.166 -35.817 1039 HD1 HIS 125 HD1 HIS 125 116.661 4.705 -37.689 1040 HD2 HIS 125 HD2 HIS 125 114.496 4.786 -34.128 1041 HE1 HIS 125 HE1 HIS 125 114.380 3.738 -38.216 1042 HE2 HIS 125 HE2 HIS 125 113.048 3.780 -36.054 Start of MODEL 4 1 H21 MYR 1 1H2 MYR 1 115.676 8.247 -1.498 2 H22 MYR 1 2H2 MYR 1 116.176 8.516 0.028 3 H31 MYR 1 1H3 MYR 1 114.033 7.584 0.153 4 H32 MYR 1 2H3 MYR 1 113.910 9.140 0.615 5 H41 MYR 1 1H4 MYR 1 113.343 9.551 -1.801 6 H42 MYR 1 2H4 MYR 1 112.985 7.963 -1.823 7 H51 MYR 1 1H5 MYR 1 111.564 10.054 -0.555 8 H52 MYR 1 2H5 MYR 1 110.973 8.710 -1.257 9 H61 MYR 1 1H6 MYR 1 112.126 7.609 0.761 10 H62 MYR 1 2H6 MYR 1 111.817 9.063 1.427 11 H71 MYR 1 1H7 MYR 1 109.472 8.688 0.789 12 H72 MYR 1 2H7 MYR 1 109.895 7.138 0.523 13 H81 MYR 1 1H8 MYR 1 110.519 8.118 3.088 14 H82 MYR 1 2H8 MYR 1 108.928 7.954 2.779 15 H91 MYR 1 1H9 MYR 1 110.087 5.614 2.048 16 H92 MYR 1 2H9 MYR 1 110.694 5.986 3.513 17 H101 MYR 1 1H10 MYR 1 108.316 6.298 4.199 18 H102 MYR 1 2H10 MYR 1 107.949 5.461 2.852 19 H111 MYR 1 1H11 MYR 1 109.548 3.742 3.828 20 H112 MYR 1 2H11 MYR 1 109.200 4.483 5.234 21 H121 MYR 1 1H12 MYR 1 107.444 3.184 5.360 22 H122 MYR 1 2H12 MYR 1 106.793 4.077 4.163 23 H131 MYR 1 1H13 MYR 1 107.287 2.551 2.578 24 H132 MYR 1 2H13 MYR 1 108.512 1.908 3.435 25 H141 MYR 1 1H14 MYR 1 105.788 1.217 3.510 26 H142 MYR 1 2H14 MYR 1 107.086 0.284 3.844 27 H143 MYR 1 3H14 MYR 1 106.499 1.302 4.979 28 H GLY 2 HN GLY 2 117.595 9.600 -1.385 29 HA2 GLY 2 HA2 GLY 2 118.701 11.477 -0.612 30 HA3 GLY 2 HA1 GLY 2 117.160 12.328 -0.611 31 H GLN 3 HN GLN 3 118.391 13.117 1.435 32 HA GLN 3 HA GLN 3 118.753 11.647 3.731 33 HB2 GLN 3 HB2 GLN 3 119.190 14.123 3.392 34 HB3 GLN 3 HB1 GLN 3 117.476 14.384 3.716 35 HG2 GLN 3 HG2 GLN 3 117.694 13.328 5.910 36 HG3 GLN 3 HG1 GLN 3 119.388 12.961 5.588 37 HE21 GLN 3 HE21 GLN 3 120.502 14.344 7.008 38 HE22 GLN 3 HE22 GLN 3 120.264 16.023 7.081 39 H GLU 4 HN GLU 4 115.784 12.431 2.143 40 HA GLU 4 HA GLU 4 113.863 12.379 4.082 41 HB2 GLU 4 HB2 GLU 4 113.484 12.516 1.597 42 HB3 GLU 4 HB1 GLU 4 113.680 10.764 1.532 43 HG2 GLU 4 HG2 GLU 4 111.809 10.469 3.085 44 HG3 GLU 4 HG1 GLU 4 111.634 12.217 3.235 45 H LEU 5 HN LEU 5 116.074 9.871 3.306 46 HA LEU 5 HA LEU 5 114.847 7.518 3.943 47 HB2 LEU 5 HB2 LEU 5 117.244 7.730 3.364 48 HB3 LEU 5 HB1 LEU 5 117.558 8.396 4.967 49 HG LEU 5 HG LEU 5 116.675 6.315 5.988 50 HD11 LEU 5 HD11 LEU 5 116.123 5.730 3.113 51 HD12 LEU 5 HD12 LEU 5 115.185 5.305 4.546 52 HD13 LEU 5 HD13 LEU 5 116.630 4.382 4.131 53 HD21 LEU 5 HD21 LEU 5 119.068 6.551 4.334 54 HD22 LEU 5 HD22 LEU 5 118.550 4.873 4.500 55 HD23 LEU 5 HD23 LEU 5 118.885 5.839 5.937 56 H SER 6 HN SER 6 115.709 10.124 6.131 57 HA SER 6 HA SER 6 115.479 8.894 8.602 58 HB2 SER 6 HB2 SER 6 114.875 11.083 9.482 59 HB3 SER 6 HB1 SER 6 116.122 11.266 8.251 60 HG SER 6 HG SER 6 113.978 12.576 8.264 61 H GLN 7 HN GLN 7 112.956 9.872 6.358 62 HA GLN 7 HA GLN 7 110.707 9.726 7.987 63 HB2 GLN 7 HB2 GLN 7 111.036 8.910 5.090 64 HB3 GLN 7 HB1 GLN 7 109.480 9.101 5.901 65 HG2 GLN 7 HG2 GLN 7 111.580 11.277 5.671 66 HG3 GLN 7 HG1 GLN 7 110.160 11.141 4.635 67 HE21 GLN 7 HE21 GLN 7 111.204 12.873 7.212 68 HE22 GLN 7 HE22 GLN 7 109.738 13.108 8.032 69 H HIS 8 HN HIS 8 112.338 7.111 6.207 70 HA HIS 8 HA HIS 8 110.636 5.007 6.862 71 HB2 HIS 8 HB2 HIS 8 112.492 4.805 5.256 72 HB3 HIS 8 HB1 HIS 8 113.651 4.930 6.581 73 HD1 HIS 8 HD1 HIS 8 110.674 2.736 5.620 74 HD2 HIS 8 HD2 HIS 8 114.302 2.473 7.657 75 HE1 HIS 8 HE1 HIS 8 110.946 0.308 6.289 76 HE2 HIS 8 HE2 HIS 8 113.154 0.132 7.532 77 H GLU 9 HN GLU 9 113.513 6.160 8.626 78 HA GLU 9 HA GLU 9 113.559 4.409 10.744 79 HB2 GLU 9 HB2 GLU 9 115.196 6.233 10.399 80 HB3 GLU 9 HB1 GLU 9 113.980 7.402 10.916 81 HG2 GLU 9 HG2 GLU 9 113.821 6.284 13.104 82 HG3 GLU 9 HG1 GLU 9 115.023 5.101 12.592 83 H ARG 10 HN ARG 10 111.358 7.099 10.192 84 HA ARG 10 HA ARG 10 110.100 6.845 12.789 85 HB2 ARG 10 HB2 ARG 10 109.072 8.348 10.376 86 HB3 ARG 10 HB1 ARG 10 108.658 8.616 12.070 87 HG2 ARG 10 HG2 ARG 10 111.166 9.070 12.433 88 HG3 ARG 10 HG1 ARG 10 111.274 9.189 10.676 89 HD2 ARG 10 HD2 ARG 10 109.423 10.828 12.428 90 HD3 ARG 10 HD1 ARG 10 110.923 11.408 11.714 91 HE ARG 10 HE ARG 10 109.535 10.522 9.555 92 HH11 ARG 10 HH11 ARG 10 108.053 11.790 8.389 93 HH12 ARG 10 HH12 ARG 10 107.237 13.101 9.175 94 HH21 ARG 10 HH21 ARG 10 108.778 12.575 12.236 95 HH22 ARG 10 HH22 ARG 10 107.648 13.544 11.353 96 H TYR 11 HN TYR 11 109.255 6.085 9.419 97 HA TYR 11 HA TYR 11 106.693 5.087 9.785 98 HB2 TYR 11 HB2 TYR 11 107.725 5.381 7.574 99 HB3 TYR 11 HB1 TYR 11 108.826 4.044 7.906 100 HD1 TYR 11 HD1 TYR 11 105.249 4.950 7.458 101 HD2 TYR 11 HD2 TYR 11 108.125 1.769 7.696 102 HE1 TYR 11 HE1 TYR 11 103.531 3.339 6.679 103 HE2 TYR 11 HE2 TYR 11 106.408 0.158 6.917 104 HH TYR 11 HH TYR 11 104.314 0.164 5.673 105 H VAL 12 HN VAL 12 109.805 3.418 10.161 106 HA VAL 12 HA VAL 12 108.798 0.842 10.657 107 HB VAL 12 HB VAL 12 111.348 2.253 11.403 108 HG11 VAL 12 HG11 VAL 12 112.018 -0.218 12.043 109 HG12 VAL 12 HG12 VAL 12 110.294 -0.386 12.374 110 HG13 VAL 12 HG13 VAL 12 111.245 0.821 13.240 111 HG21 VAL 12 HG21 VAL 12 112.259 1.031 9.655 112 HG22 VAL 12 HG22 VAL 12 110.604 1.205 9.070 113 HG23 VAL 12 HG23 VAL 12 111.113 -0.295 9.847 114 H GLU 13 HN GLU 13 109.855 3.329 12.995 115 HA GLU 13 HA GLU 13 108.969 1.918 15.288 116 HB2 GLU 13 HB2 GLU 13 109.528 4.851 14.811 117 HB3 GLU 13 HB1 GLU 13 109.130 4.182 16.394 118 HG2 GLU 13 HG2 GLU 13 111.058 2.661 16.250 119 HG3 GLU 13 HG1 GLU 13 111.453 3.299 14.655 120 H GLN 14 HN GLN 14 107.423 4.252 13.146 121 HA GLN 14 HA GLN 14 105.099 4.626 14.780 122 HB2 GLN 14 HB2 GLN 14 105.873 6.259 13.056 123 HB3 GLN 14 HB1 GLN 14 105.408 5.104 11.807 124 HG2 GLN 14 HG2 GLN 14 103.592 6.697 12.134 125 HG3 GLN 14 HG1 GLN 14 103.085 5.112 12.717 126 HE21 GLN 14 HE21 GLN 14 101.641 5.801 14.378 127 HE22 GLN 14 HE22 GLN 14 102.142 6.708 15.722 128 H LEU 15 HN LEU 15 105.196 3.262 11.492 129 HA LEU 15 HA LEU 15 102.855 1.975 11.328 130 HB2 LEU 15 HB2 LEU 15 105.051 1.859 9.823 131 HB3 LEU 15 HB1 LEU 15 105.205 0.287 10.610 132 HG LEU 15 HG LEU 15 103.928 0.030 8.546 133 HD11 LEU 15 HD11 LEU 15 102.109 -1.182 9.437 134 HD12 LEU 15 HD12 LEU 15 101.898 -0.053 10.776 135 HD13 LEU 15 HD13 LEU 15 103.275 -1.155 10.760 136 HD21 LEU 15 HD21 LEU 15 101.594 1.573 9.450 137 HD22 LEU 15 HD22 LEU 15 102.349 1.511 7.858 138 HD23 LEU 15 HD23 LEU 15 103.004 2.574 9.104 139 H LYS 16 HN LYS 16 105.690 0.658 13.029 140 HA LYS 16 HA LYS 16 104.476 -1.745 13.881 141 HB2 LYS 16 HB2 LYS 16 106.792 -0.126 14.933 142 HB3 LYS 16 HB1 LYS 16 106.281 -1.631 15.698 143 HG2 LYS 16 HG2 LYS 16 106.544 -2.805 13.528 144 HG3 LYS 16 HG1 LYS 16 107.113 -1.303 12.800 145 HD2 LYS 16 HD2 LYS 16 109.063 -1.257 14.181 146 HD3 LYS 16 HD1 LYS 16 108.433 -2.530 15.228 147 HE2 LYS 16 HE2 LYS 16 109.996 -3.628 13.816 148 HE3 LYS 16 HE1 LYS 16 108.418 -4.018 13.131 149 HZ1 LYS 16 HZ1 LYS 16 109.516 -3.322 11.277 150 HZ2 LYS 16 HZ2 LYS 16 110.494 -2.216 12.119 151 HZ3 LYS 16 HZ3 LYS 16 108.871 -1.839 11.787 152 H GLN 17 HN GLN 17 104.726 1.452 15.401 153 HA GLN 17 HA GLN 17 103.412 0.763 17.819 154 HB2 GLN 17 HB2 GLN 17 103.984 3.330 16.376 155 HB3 GLN 17 HB1 GLN 17 102.899 3.332 17.767 156 HG2 GLN 17 HG2 GLN 17 104.626 2.305 19.158 157 HG3 GLN 17 HG1 GLN 17 105.708 2.191 17.771 158 HE21 GLN 17 HE21 GLN 17 106.957 3.584 19.601 159 HE22 GLN 17 HE22 GLN 17 106.811 5.264 19.410 160 H ALA 18 HN ALA 18 102.180 2.542 14.973 161 HA ALA 18 HA ALA 18 99.496 2.625 15.671 162 HB1 ALA 18 HB1 ALA 18 99.027 2.965 13.334 163 HB2 ALA 18 HB2 ALA 18 100.547 2.202 12.867 164 HB3 ALA 18 HB3 ALA 18 100.559 3.759 13.697 165 H LEU 19 HN LEU 19 101.413 -0.089 14.907 166 HA LEU 19 HA LEU 19 99.181 -1.761 14.068 167 HB2 LEU 19 HB2 LEU 19 102.116 -1.991 14.163 168 HB3 LEU 19 HB1 LEU 19 101.252 -3.480 14.543 169 HG LEU 19 HG LEU 19 100.625 -1.779 12.120 170 HD11 LEU 19 HD11 LEU 19 103.000 -2.846 12.273 171 HD12 LEU 19 HD12 LEU 19 102.047 -3.117 10.814 172 HD13 LEU 19 HD13 LEU 19 102.150 -4.375 12.046 173 HD21 LEU 19 HD21 LEU 19 100.048 -4.612 11.962 174 HD22 LEU 19 HD22 LEU 19 98.942 -3.247 11.801 175 HD23 LEU 19 HD23 LEU 19 99.292 -3.917 13.396 176 H LYS 20 HN LYS 20 101.435 -1.585 16.823 177 HA LYS 20 HA LYS 20 100.561 -3.637 18.399 178 HB2 LYS 20 HB2 LYS 20 102.380 -2.009 18.970 179 HB3 LYS 20 HB1 LYS 20 101.131 -0.853 19.438 180 HG2 LYS 20 HG2 LYS 20 100.278 -2.409 21.124 181 HG3 LYS 20 HG1 LYS 20 101.457 -3.624 20.627 182 HD2 LYS 20 HD2 LYS 20 103.294 -2.086 21.254 183 HD3 LYS 20 HD1 LYS 20 102.104 -0.895 21.783 184 HE2 LYS 20 HE2 LYS 20 102.481 -3.678 22.928 185 HE3 LYS 20 HE1 LYS 20 102.909 -2.159 23.715 186 HZ1 LYS 20 HZ1 LYS 20 100.515 -1.532 23.488 187 HZ2 LYS 20 HZ2 LYS 20 100.818 -2.816 24.560 188 HZ3 LYS 20 HZ3 LYS 20 100.199 -3.128 23.009 189 H THR 21 HN THR 21 98.945 -0.571 17.800 190 HA THR 21 HA THR 21 96.978 -0.759 19.822 191 HB THR 21 HB THR 21 97.571 1.276 18.396 192 HG1 THR 21 HG1 THR 21 95.837 1.521 19.662 193 HG21 THR 21 HG21 THR 21 97.051 -0.314 16.288 194 HG22 THR 21 HG22 THR 21 96.863 1.438 16.221 195 HG23 THR 21 HG23 THR 21 95.456 0.410 16.493 196 H ARG 22 HN ARG 22 97.272 -2.201 16.656 197 HA ARG 22 HA ARG 22 94.514 -3.017 16.474 198 HB2 ARG 22 HB2 ARG 22 96.998 -3.436 14.880 199 HB3 ARG 22 HB1 ARG 22 95.691 -4.606 14.684 200 HG2 ARG 22 HG2 ARG 22 95.022 -1.685 14.636 201 HG3 ARG 22 HG1 ARG 22 95.753 -2.411 13.204 202 HD2 ARG 22 HD2 ARG 22 93.977 -4.181 13.270 203 HD3 ARG 22 HD1 ARG 22 93.207 -3.299 14.586 204 HE ARG 22 HE ARG 22 93.303 -2.498 11.775 205 HH11 ARG 22 HH11 ARG 22 91.923 -0.770 11.258 206 HH12 ARG 22 HH12 ARG 22 91.164 0.134 12.527 207 HH21 ARG 22 HH21 ARG 22 92.601 -1.728 15.075 208 HH22 ARG 22 HH22 ARG 22 91.547 -0.408 14.687 209 H GLY 23 HN GLY 23 97.121 -4.059 18.300 210 HA2 GLY 23 HA2 GLY 23 96.756 -5.780 19.960 211 HA3 GLY 23 HA1 GLY 23 95.810 -6.665 18.766 212 H VAL 24 HN VAL 24 98.754 -5.131 17.775 213 HA VAL 24 HA VAL 24 99.965 -7.789 17.385 214 HB VAL 24 HB VAL 24 100.881 -5.183 16.166 215 HG11 VAL 24 HG11 VAL 24 102.522 -6.889 15.930 216 HG12 VAL 24 HG12 VAL 24 101.650 -6.882 14.397 217 HG13 VAL 24 HG13 VAL 24 101.305 -8.122 15.602 218 HG21 VAL 24 HG21 VAL 24 98.722 -7.111 15.293 219 HG22 VAL 24 HG22 VAL 24 99.568 -6.080 14.138 220 HG23 VAL 24 HG23 VAL 24 98.622 -5.357 15.440 221 H LYS 25 HN LYS 25 102.422 -7.780 17.515 222 HA LYS 25 HA LYS 25 103.263 -6.256 19.908 223 HB2 LYS 25 HB2 LYS 25 104.115 -8.990 18.930 224 HB3 LYS 25 HB1 LYS 25 104.884 -8.133 20.265 225 HG2 LYS 25 HG2 LYS 25 102.707 -8.032 21.443 226 HG3 LYS 25 HG1 LYS 25 101.964 -8.934 20.122 227 HD2 LYS 25 HD2 LYS 25 103.454 -10.834 20.544 228 HD3 LYS 25 HD1 LYS 25 104.265 -9.932 21.826 229 HE2 LYS 25 HE2 LYS 25 102.695 -11.308 22.959 230 HE3 LYS 25 HE1 LYS 25 101.940 -9.714 22.908 231 HZ1 LYS 25 HZ1 LYS 25 100.346 -11.347 22.248 232 HZ2 LYS 25 HZ2 LYS 25 101.404 -11.997 21.088 233 HZ3 LYS 25 HZ3 LYS 25 100.764 -10.437 20.879 234 H VAL 26 HN VAL 26 105.255 -5.251 19.908 235 HA VAL 26 HA VAL 26 106.629 -5.140 17.289 236 HB VAL 26 HB VAL 26 107.207 -2.827 17.790 237 HG11 VAL 26 HG11 VAL 26 104.969 -1.852 17.665 238 HG12 VAL 26 HG12 VAL 26 104.260 -3.334 18.307 239 HG13 VAL 26 HG13 VAL 26 105.013 -3.336 16.711 240 HG21 VAL 26 HG21 VAL 26 107.392 -2.355 20.004 241 HG22 VAL 26 HG22 VAL 26 106.276 -3.643 20.460 242 HG23 VAL 26 HG23 VAL 26 105.651 -2.077 19.945 243 H LYS 27 HN LYS 27 108.086 -6.804 17.847 244 HA LYS 27 HA LYS 27 109.959 -6.159 20.041 245 HB2 LYS 27 HB2 LYS 27 108.651 -8.435 19.857 246 HB3 LYS 27 HB1 LYS 27 109.902 -8.824 18.676 247 HG2 LYS 27 HG2 LYS 27 111.491 -7.854 20.592 248 HG3 LYS 27 HG1 LYS 27 110.149 -8.363 21.618 249 HD2 LYS 27 HD2 LYS 27 111.580 -10.126 19.605 250 HD3 LYS 27 HD1 LYS 27 111.818 -10.173 21.352 251 HE2 LYS 27 HE2 LYS 27 109.292 -10.578 21.531 252 HE3 LYS 27 HE1 LYS 27 109.328 -10.887 19.794 253 HZ1 LYS 27 HZ1 LYS 27 110.680 -12.729 20.067 254 HZ2 LYS 27 HZ2 LYS 27 109.620 -12.850 21.390 255 HZ3 LYS 27 HZ3 LYS 27 111.198 -12.264 21.613 256 H TYR 28 HN TYR 28 112.248 -6.792 19.620 257 HA TYR 28 HA TYR 28 113.303 -5.470 17.394 258 HB2 TYR 28 HB2 TYR 28 114.567 -7.638 19.089 259 HB3 TYR 28 HB1 TYR 28 115.438 -6.568 17.992 260 HD1 TYR 28 HD1 TYR 28 115.795 -4.228 18.521 261 HD2 TYR 28 HD2 TYR 28 113.503 -6.753 21.132 262 HE1 TYR 28 HE1 TYR 28 115.902 -2.495 20.292 263 HE2 TYR 28 HE2 TYR 28 113.610 -5.021 22.903 264 HH TYR 28 HH TYR 28 115.613 -2.156 22.551 265 H ALA 29 HN ALA 29 112.645 -8.914 17.915 266 HA ALA 29 HA ALA 29 113.801 -9.977 15.620 267 HB1 ALA 29 HB1 ALA 29 112.601 -11.894 16.073 268 HB2 ALA 29 HB2 ALA 29 111.136 -11.006 16.495 269 HB3 ALA 29 HB3 ALA 29 112.480 -11.084 17.635 270 H ASP 30 HN ASP 30 111.066 -7.914 15.937 271 HA ASP 30 HA ASP 30 109.750 -8.631 13.495 272 HB2 ASP 30 HB2 ASP 30 109.601 -6.110 15.163 273 HB3 ASP 30 HB1 ASP 30 108.522 -6.503 13.826 274 H LEU 31 HN LEU 31 112.096 -6.146 14.434 275 HA LEU 31 HA LEU 31 112.140 -4.759 11.969 276 HB2 LEU 31 HB2 LEU 31 114.070 -5.008 14.263 277 HB3 LEU 31 HB1 LEU 31 114.508 -4.114 12.807 278 HG LEU 31 HG LEU 31 112.072 -3.057 13.220 279 HD11 LEU 31 HD11 LEU 31 111.777 -4.495 15.269 280 HD12 LEU 31 HD12 LEU 31 111.632 -2.766 15.584 281 HD13 LEU 31 HD13 LEU 31 113.115 -3.618 16.011 282 HD21 LEU 31 HD21 LEU 31 114.606 -2.231 14.676 283 HD22 LEU 31 HD22 LEU 31 113.229 -1.180 14.342 284 HD23 LEU 31 HD23 LEU 31 114.197 -1.814 13.011 285 H LEU 32 HN LEU 32 114.017 -7.500 13.199 286 HA LEU 32 HA LEU 32 115.938 -7.668 11.182 287 HB2 LEU 32 HB2 LEU 32 114.653 -10.034 12.558 288 HB3 LEU 32 HB1 LEU 32 116.281 -9.936 11.884 289 HG LEU 32 HG LEU 32 115.239 -8.291 14.209 290 HD11 LEU 32 HD11 LEU 32 117.410 -10.386 14.274 291 HD12 LEU 32 HD12 LEU 32 115.717 -10.813 14.527 292 HD13 LEU 32 HD13 LEU 32 116.517 -9.689 15.626 293 HD21 LEU 32 HD21 LEU 32 117.795 -8.319 12.629 294 HD22 LEU 32 HD22 LEU 32 117.845 -7.910 14.343 295 HD23 LEU 32 HD23 LEU 32 116.877 -6.940 13.234 296 H LYS 33 HN LYS 33 112.796 -9.351 11.388 297 HA LYS 33 HA LYS 33 113.080 -10.462 8.744 298 HB2 LYS 33 HB2 LYS 33 111.846 -11.603 10.594 299 HB3 LYS 33 HB1 LYS 33 110.614 -10.344 10.493 300 HG2 LYS 33 HG2 LYS 33 110.146 -10.934 8.171 301 HG3 LYS 33 HG1 LYS 33 111.443 -12.128 8.187 302 HD2 LYS 33 HD2 LYS 33 110.266 -13.371 9.976 303 HD3 LYS 33 HD1 LYS 33 108.955 -12.193 9.919 304 HE2 LYS 33 HE2 LYS 33 108.505 -12.771 7.578 305 HE3 LYS 33 HE1 LYS 33 109.851 -13.911 7.586 306 HZ1 LYS 33 HZ1 LYS 33 108.754 -15.258 9.171 307 HZ2 LYS 33 HZ2 LYS 33 107.613 -14.912 7.961 308 HZ3 LYS 33 HZ3 LYS 33 107.553 -14.094 9.450 309 H PHE 34 HN PHE 34 110.994 -7.985 10.232 310 HA PHE 34 HA PHE 34 109.518 -7.353 7.925 311 HB2 PHE 34 HB2 PHE 34 108.954 -6.663 10.273 312 HB3 PHE 34 HB1 PHE 34 110.236 -5.457 10.170 313 HD1 PHE 34 HD1 PHE 34 109.718 -3.325 9.371 314 HD2 PHE 34 HD2 PHE 34 107.234 -6.649 8.261 315 HE1 PHE 34 HE1 PHE 34 108.172 -1.779 8.202 316 HE2 PHE 34 HE2 PHE 34 105.687 -5.102 7.091 317 HZ PHE 34 HZ PHE 34 106.157 -2.667 7.061 318 H PHE 35 HN PHE 35 112.583 -6.094 9.160 319 HA PHE 35 HA PHE 35 112.772 -3.992 7.216 320 HB2 PHE 35 HB2 PHE 35 113.906 -4.116 9.525 321 HB3 PHE 35 HB1 PHE 35 115.093 -5.159 8.741 322 HD1 PHE 35 HD1 PHE 35 116.218 -4.283 6.590 323 HD2 PHE 35 HD2 PHE 35 114.061 -1.773 9.328 324 HE1 PHE 35 HE1 PHE 35 117.361 -2.286 5.661 325 HE2 PHE 35 HE2 PHE 35 115.203 0.223 8.400 326 HZ PHE 35 HZ PHE 35 116.854 -0.034 6.567 327 H ASP 36 HN ASP 36 114.326 -7.171 7.610 328 HA ASP 36 HA ASP 36 115.761 -6.974 5.124 329 HB2 ASP 36 HB2 ASP 36 115.221 -9.302 6.979 330 HB3 ASP 36 HB1 ASP 36 116.253 -9.395 5.552 331 H PHE 37 HN PHE 37 112.588 -7.900 6.053 332 HA PHE 37 HA PHE 37 111.966 -9.802 4.075 333 HB2 PHE 37 HB2 PHE 37 110.329 -9.651 5.707 334 HB3 PHE 37 HB1 PHE 37 110.375 -7.888 5.737 335 HD1 PHE 37 HD1 PHE 37 109.838 -10.514 3.101 336 HD2 PHE 37 HD2 PHE 37 108.425 -6.902 4.947 337 HE1 PHE 37 HE1 PHE 37 107.944 -10.437 1.501 338 HE2 PHE 37 HE2 PHE 37 106.531 -6.825 3.347 339 HZ PHE 37 HZ PHE 37 106.291 -8.591 1.625 340 H VAL 38 HN VAL 38 111.452 -6.270 4.086 341 HA VAL 38 HA VAL 38 110.636 -6.248 1.320 342 HB VAL 38 HB VAL 38 111.036 -3.671 1.770 343 HG11 VAL 38 HG11 VAL 38 108.773 -3.561 2.698 344 HG12 VAL 38 HG12 VAL 38 108.868 -5.254 3.183 345 HG13 VAL 38 HG13 VAL 38 108.849 -4.827 1.472 346 HG21 VAL 38 HG21 VAL 38 110.514 -4.510 4.595 347 HG22 VAL 38 HG22 VAL 38 111.251 -3.028 3.984 348 HG23 VAL 38 HG23 VAL 38 112.183 -4.525 4.024 349 H LYS 39 HN LYS 39 113.584 -5.598 3.129 350 HA LYS 39 HA LYS 39 115.107 -4.303 1.196 351 HB2 LYS 39 HB2 LYS 39 115.677 -4.916 3.657 352 HB3 LYS 39 HB1 LYS 39 116.303 -6.414 2.968 353 HG2 LYS 39 HG2 LYS 39 117.803 -5.160 1.505 354 HG3 LYS 39 HG1 LYS 39 117.131 -3.635 2.083 355 HD2 LYS 39 HD2 LYS 39 117.897 -4.182 4.377 356 HD3 LYS 39 HD1 LYS 39 118.611 -5.676 3.768 357 HE2 LYS 39 HE2 LYS 39 120.112 -4.416 2.316 358 HE3 LYS 39 HE1 LYS 39 119.348 -2.900 2.795 359 HZ1 LYS 39 HZ1 LYS 39 120.084 -3.240 5.041 360 HZ2 LYS 39 HZ2 LYS 39 121.423 -3.352 4.002 361 HZ3 LYS 39 HZ3 LYS 39 120.729 -4.760 4.654 362 H ASP 40 HN ASP 40 114.370 -7.729 1.576 363 HA ASP 40 HA ASP 40 116.153 -9.019 0.003 364 HB2 ASP 40 HB2 ASP 40 114.162 -10.070 1.060 365 HB3 ASP 40 HB1 ASP 40 113.159 -9.394 -0.222 366 H THR 41 HN THR 41 113.173 -7.567 -1.336 367 HA THR 41 HA THR 41 114.570 -7.338 -3.932 368 HB THR 41 HB THR 41 112.104 -7.093 -4.752 369 HG1 THR 41 HG1 THR 41 111.683 -7.267 -2.227 370 HG21 THR 41 HG21 THR 41 113.595 -9.001 -5.249 371 HG22 THR 41 HG22 THR 41 111.940 -9.538 -4.961 372 HG23 THR 41 HG23 THR 41 113.162 -9.734 -3.704 373 H CYS 42 HN CYS 42 113.560 -5.564 -1.303 374 HA CYS 42 HA CYS 42 112.876 -3.361 -0.989 375 HB2 CYS 42 HB2 CYS 42 114.565 -1.836 -1.711 376 HB3 CYS 42 HB1 CYS 42 115.379 -3.370 -1.406 377 HG CYS 42 HG CYS 42 115.672 -3.740 -3.908 378 HA PRO 43 HA PRO 43 110.628 -3.020 -5.069 379 HB2 PRO 43 HB2 PRO 43 108.148 -3.811 -4.244 380 HB3 PRO 43 HB1 PRO 43 109.380 -4.942 -4.833 381 HG2 PRO 43 HG2 PRO 43 108.478 -4.406 -2.075 382 HG3 PRO 43 HG1 PRO 43 109.128 -5.891 -2.789 383 HD2 PRO 43 HD2 PRO 43 110.545 -4.091 -1.150 384 HD3 PRO 43 HD1 PRO 43 111.248 -5.384 -2.146 385 H TRP 44 HN TRP 44 110.402 -1.752 -1.943 386 HA TRP 44 HA TRP 44 108.179 0.016 -2.284 387 HB2 TRP 44 HB2 TRP 44 110.050 -0.646 -0.213 388 HB3 TRP 44 HB1 TRP 44 109.988 1.106 -0.397 389 HD1 TRP 44 HD1 TRP 44 107.817 2.341 0.315 390 HE1 TRP 44 HE1 TRP 44 105.634 1.592 1.463 391 HE3 TRP 44 HE3 TRP 44 108.337 -2.728 -0.022 392 HZ2 TRP 44 HZ2 TRP 44 104.286 -0.837 2.147 393 HZ3 TRP 44 HZ3 TRP 44 106.591 -4.234 0.883 394 HH2 TRP 44 HH2 TRP 44 104.567 -3.296 1.968 395 H PHE 45 HN PHE 45 110.480 -0.041 -4.300 396 HA PHE 45 HA PHE 45 111.583 1.461 -5.644 397 HB2 PHE 45 HB2 PHE 45 109.228 2.941 -4.600 398 HB3 PHE 45 HB1 PHE 45 110.495 3.898 -5.366 399 HD1 PHE 45 HD1 PHE 45 109.572 0.384 -6.166 400 HD2 PHE 45 HD2 PHE 45 109.447 4.488 -7.426 401 HE1 PHE 45 HE1 PHE 45 108.762 -0.327 -8.400 402 HE2 PHE 45 HE2 PHE 45 108.637 3.778 -9.659 403 HZ PHE 45 HZ PHE 45 108.294 1.371 -10.146 404 HA PRO 46 HA PRO 46 114.254 2.559 -2.020 405 HB2 PRO 46 HB2 PRO 46 116.212 2.356 -4.264 406 HB3 PRO 46 HB1 PRO 46 116.305 1.692 -2.622 407 HG2 PRO 46 HG2 PRO 46 115.760 0.152 -4.732 408 HG3 PRO 46 HG1 PRO 46 115.033 -0.139 -3.143 409 HD2 PRO 46 HD2 PRO 46 113.787 0.965 -5.596 410 HD3 PRO 46 HD1 PRO 46 113.039 0.058 -4.264 411 H GLN 47 HN GLN 47 113.828 3.943 -5.192 412 HA GLN 47 HA GLN 47 115.385 6.325 -4.612 413 HB2 GLN 47 HB2 GLN 47 113.592 5.635 -6.952 414 HB3 GLN 47 HB1 GLN 47 114.628 7.059 -6.848 415 HG2 GLN 47 HG2 GLN 47 116.605 5.578 -6.596 416 HG3 GLN 47 HG1 GLN 47 115.555 4.173 -6.775 417 HE21 GLN 47 HE21 GLN 47 115.915 3.361 -8.850 418 HE22 GLN 47 HE22 GLN 47 115.971 4.305 -10.260 419 H GLU 48 HN GLU 48 111.956 5.572 -5.241 420 HA GLU 48 HA GLU 48 111.172 8.240 -4.362 421 HB2 GLU 48 HB2 GLU 48 110.021 6.152 -6.000 422 HB3 GLU 48 HB1 GLU 48 108.876 6.679 -4.767 423 HG2 GLU 48 HG2 GLU 48 108.683 8.052 -6.815 424 HG3 GLU 48 HG1 GLU 48 109.207 9.020 -5.438 425 H GLY 49 HN GLY 49 111.707 5.213 -2.970 426 HA2 GLY 49 HA2 GLY 49 110.952 4.166 -1.038 427 HA3 GLY 49 HA1 GLY 49 111.227 5.771 -0.368 428 H THR 50 HN THR 50 108.807 5.177 -2.819 429 HA THR 50 HA THR 50 106.741 6.093 -0.962 430 HB THR 50 HB THR 50 106.896 7.115 -3.206 431 HG1 THR 50 HG1 THR 50 104.618 6.371 -3.801 432 HG21 THR 50 HG21 THR 50 106.736 5.905 -5.179 433 HG22 THR 50 HG22 THR 50 105.871 4.574 -4.413 434 HG23 THR 50 HG23 THR 50 107.607 4.755 -4.164 435 H ILE 51 HN ILE 51 104.550 5.004 -1.186 436 HA ILE 51 HA ILE 51 104.928 2.088 -1.025 437 HB ILE 51 HB ILE 51 102.410 3.488 -0.196 438 HG12 ILE 51 HG12 ILE 51 105.105 3.602 1.138 439 HG13 ILE 51 HG11 ILE 51 103.892 4.873 0.974 440 HG21 ILE 51 HG21 ILE 51 102.852 0.935 -0.226 441 HG22 ILE 51 HG22 ILE 51 102.181 1.631 1.249 442 HG23 ILE 51 HG23 ILE 51 103.899 1.240 1.160 443 HD11 ILE 51 HD11 ILE 51 103.934 2.541 2.877 444 HD12 ILE 51 HD12 ILE 51 102.406 3.312 2.445 445 HD13 ILE 51 HD13 ILE 51 103.679 4.251 3.228 446 H ASP 52 HN ASP 52 103.762 0.678 -2.272 447 HA ASP 52 HA ASP 52 101.877 1.817 -4.233 448 HB2 ASP 52 HB2 ASP 52 104.056 1.583 -5.347 449 HB3 ASP 52 HB1 ASP 52 104.119 -0.114 -4.871 450 H ILE 53 HN ILE 53 100.011 0.751 -4.207 451 HA ILE 53 HA ILE 53 99.665 -1.628 -2.656 452 HB ILE 53 HB ILE 53 97.724 -0.414 -4.631 453 HG12 ILE 53 HG12 ILE 53 98.471 1.332 -3.103 454 HG13 ILE 53 HG11 ILE 53 96.856 0.812 -2.620 455 HG21 ILE 53 HG21 ILE 53 97.143 -2.658 -3.792 456 HG22 ILE 53 HG22 ILE 53 96.054 -1.442 -3.124 457 HG23 ILE 53 HG23 ILE 53 97.357 -2.098 -2.133 458 HD11 ILE 53 HD11 ILE 53 99.499 0.183 -1.317 459 HD12 ILE 53 HD12 ILE 53 98.094 -0.850 -1.054 460 HD13 ILE 53 HD13 ILE 53 98.040 0.850 -0.584 461 H LYS 54 HN LYS 54 99.802 -0.909 -6.119 462 HA LYS 54 HA LYS 54 99.030 -3.450 -7.064 463 HB2 LYS 54 HB2 LYS 54 100.823 -1.355 -8.313 464 HB3 LYS 54 HB1 LYS 54 100.186 -2.762 -9.165 465 HG2 LYS 54 HG2 LYS 54 97.885 -2.021 -8.686 466 HG3 LYS 54 HG1 LYS 54 98.513 -0.616 -7.824 467 HD2 LYS 54 HD2 LYS 54 99.615 0.167 -9.884 468 HD3 LYS 54 HD1 LYS 54 99.000 -1.241 -10.752 469 HE2 LYS 54 HE2 LYS 54 96.694 -0.526 -10.331 470 HE3 LYS 54 HE1 LYS 54 97.274 0.849 -9.391 471 HZ1 LYS 54 HZ1 LYS 54 97.540 0.363 -12.293 472 HZ2 LYS 54 HZ2 LYS 54 98.549 1.464 -11.483 473 HZ3 LYS 54 HZ3 LYS 54 96.868 1.705 -11.504 474 H ARG 55 HN ARG 55 102.321 -2.070 -6.840 475 HA ARG 55 HA ARG 55 103.656 -4.484 -7.436 476 HB2 ARG 55 HB2 ARG 55 104.556 -1.984 -5.995 477 HB3 ARG 55 HB1 ARG 55 105.642 -3.320 -6.382 478 HG2 ARG 55 HG2 ARG 55 105.156 -3.077 -8.761 479 HG3 ARG 55 HG1 ARG 55 103.970 -1.818 -8.418 480 HD2 ARG 55 HD2 ARG 55 105.767 -0.425 -7.421 481 HD3 ARG 55 HD1 ARG 55 106.941 -1.670 -7.837 482 HE ARG 55 HE ARG 55 105.660 0.192 -9.672 483 HH11 ARG 55 HH11 ARG 55 106.482 0.146 -11.789 484 HH12 ARG 55 HH12 ARG 55 107.521 -1.148 -12.282 485 HH21 ARG 55 HH21 ARG 55 107.426 -2.748 -9.206 486 HH22 ARG 55 HH22 ARG 55 108.056 -2.787 -10.819 487 H TRP 56 HN TRP 56 102.423 -3.139 -4.448 488 HA TRP 56 HA TRP 56 103.849 -4.682 -2.591 489 HB2 TRP 56 HB2 TRP 56 102.569 -2.919 -1.700 490 HB3 TRP 56 HB1 TRP 56 101.111 -3.430 -2.550 491 HD1 TRP 56 HD1 TRP 56 99.439 -4.464 -0.959 492 HE1 TRP 56 HE1 TRP 56 99.551 -5.959 1.139 493 HE3 TRP 56 HE3 TRP 56 104.501 -4.943 -0.487 494 HZ2 TRP 56 HZ2 TRP 56 101.527 -7.194 2.797 495 HZ3 TRP 56 HZ3 TRP 56 105.470 -6.282 1.360 496 HH2 TRP 56 HH2 TRP 56 103.990 -7.408 3.000 497 H ARG 57 HN ARG 57 100.878 -5.383 -4.392 498 HA ARG 57 HA ARG 57 100.323 -7.868 -3.133 499 HB2 ARG 57 HB2 ARG 57 99.545 -6.771 -5.844 500 HB3 ARG 57 HB1 ARG 57 98.917 -8.277 -5.173 501 HG2 ARG 57 HG2 ARG 57 98.018 -7.064 -3.236 502 HG3 ARG 57 HG1 ARG 57 98.681 -5.554 -3.860 503 HD2 ARG 57 HD2 ARG 57 96.693 -7.266 -5.371 504 HD3 ARG 57 HD1 ARG 57 96.237 -5.892 -4.369 505 HE ARG 57 HE ARG 57 98.194 -5.008 -6.170 506 HH11 ARG 57 HH11 ARG 57 97.568 -3.915 -8.061 507 HH12 ARG 57 HH12 ARG 57 95.960 -4.113 -8.676 508 HH21 ARG 57 HH21 ARG 57 94.977 -6.285 -6.159 509 HH22 ARG 57 HH22 ARG 57 94.494 -5.454 -7.600 510 H ARG 58 HN ARG 58 102.337 -6.923 -5.854 511 HA ARG 58 HA ARG 58 102.803 -9.485 -6.942 512 HB2 ARG 58 HB2 ARG 58 103.397 -7.362 -8.078 513 HB3 ARG 58 HB1 ARG 58 104.678 -7.107 -6.892 514 HG2 ARG 58 HG2 ARG 58 105.751 -9.213 -7.577 515 HG3 ARG 58 HG1 ARG 58 104.463 -9.497 -8.748 516 HD2 ARG 58 HD2 ARG 58 105.064 -7.340 -9.861 517 HD3 ARG 58 HD1 ARG 58 106.423 -7.186 -8.752 518 HE ARG 58 HE ARG 58 106.190 -9.081 -10.968 519 HH11 ARG 58 HH11 ARG 58 108.128 -10.153 -11.474 520 HH12 ARG 58 HH12 ARG 58 109.482 -10.036 -10.400 521 HH21 ARG 58 HH21 ARG 58 107.837 -8.003 -8.122 522 HH22 ARG 58 HH22 ARG 58 109.317 -8.818 -8.502 523 H VAL 59 HN VAL 59 104.763 -7.579 -4.645 524 HA VAL 59 HA VAL 59 106.665 -9.617 -4.150 525 HB VAL 59 HB VAL 59 107.233 -7.362 -3.587 526 HG11 VAL 59 HG11 VAL 59 104.915 -7.410 -1.632 527 HG12 VAL 59 HG12 VAL 59 104.871 -6.617 -3.207 528 HG13 VAL 59 HG13 VAL 59 105.983 -6.047 -1.964 529 HG21 VAL 59 HG21 VAL 59 106.791 -8.377 -0.825 530 HG22 VAL 59 HG22 VAL 59 108.277 -7.819 -1.594 531 HG23 VAL 59 HG23 VAL 59 107.674 -9.443 -1.918 532 H GLY 60 HN GLY 60 103.643 -8.717 -2.539 533 HA2 GLY 60 HA2 GLY 60 103.838 -10.432 -0.318 534 HA3 GLY 60 HA1 GLY 60 102.334 -9.831 -1.008 535 H ASP 61 HN ASP 61 102.302 -10.942 -3.496 536 HA ASP 61 HA ASP 61 101.512 -13.629 -2.929 537 HB2 ASP 61 HB2 ASP 61 101.620 -11.903 -5.374 538 HB3 ASP 61 HB1 ASP 61 101.383 -13.640 -5.557 539 H CYS 62 HN CYS 62 104.286 -12.145 -4.539 540 HA CYS 62 HA CYS 62 105.410 -14.511 -5.597 541 HB2 CYS 62 HB2 CYS 62 106.656 -11.876 -4.797 542 HB3 CYS 62 HB1 CYS 62 107.546 -13.166 -5.606 543 HG CYS 62 HG CYS 62 106.516 -12.478 -7.746 544 H PHE 63 HN PHE 63 105.716 -12.919 -2.463 545 HA PHE 63 HA PHE 63 107.762 -14.756 -1.545 546 HB2 PHE 63 HB2 PHE 63 106.298 -12.419 -0.382 547 HB3 PHE 63 HB1 PHE 63 107.104 -13.549 0.706 548 HD1 PHE 63 HD1 PHE 63 107.859 -11.971 -2.622 549 HD2 PHE 63 HD2 PHE 63 109.250 -12.920 1.330 550 HE1 PHE 63 HE1 PHE 63 110.043 -10.915 -3.137 551 HE2 PHE 63 HE2 PHE 63 111.434 -11.864 0.814 552 HZ PHE 63 HZ PHE 63 111.831 -10.861 -1.419 553 H GLN 64 HN GLN 64 104.305 -14.203 -0.977 554 HA GLN 64 HA GLN 64 103.980 -16.198 1.011 555 HB2 GLN 64 HB2 GLN 64 102.329 -14.418 0.659 556 HB3 GLN 64 HB1 GLN 64 101.958 -15.068 -0.939 557 HG2 GLN 64 HG2 GLN 64 101.182 -17.160 0.051 558 HG3 GLN 64 HG1 GLN 64 101.640 -16.598 1.658 559 HE21 GLN 64 HE21 GLN 64 98.916 -17.331 0.886 560 HE22 GLN 64 HE22 GLN 64 97.968 -15.929 1.021 561 H ASP 65 HN ASP 65 103.810 -16.253 -2.512 562 HA ASP 65 HA ASP 65 102.704 -18.844 -2.787 563 HB2 ASP 65 HB2 ASP 65 102.696 -17.351 -4.673 564 HB3 ASP 65 HB1 ASP 65 104.451 -17.201 -4.627 565 H TYR 66 HN TYR 66 106.090 -17.735 -3.038 566 HA TYR 66 HA TYR 66 107.165 -20.368 -3.217 567 HB2 TYR 66 HB2 TYR 66 108.326 -17.643 -2.709 568 HB3 TYR 66 HB1 TYR 66 109.325 -19.088 -2.545 569 HD1 TYR 66 HD1 TYR 66 110.371 -19.970 -4.439 570 HD2 TYR 66 HD2 TYR 66 106.890 -17.500 -4.915 571 HE1 TYR 66 HE1 TYR 66 110.641 -20.064 -6.903 572 HE2 TYR 66 HE2 TYR 66 107.159 -17.594 -7.378 573 HH TYR 66 HH TYR 66 109.752 -19.530 -8.870 574 H TYR 67 HN TYR 67 106.727 -18.070 -0.555 575 HA TYR 67 HA TYR 67 108.110 -19.525 1.424 576 HB2 TYR 67 HB2 TYR 67 107.494 -17.198 1.767 577 HB3 TYR 67 HB1 TYR 67 105.781 -17.609 1.682 578 HD1 TYR 67 HD1 TYR 67 108.841 -18.829 3.494 579 HD2 TYR 67 HD2 TYR 67 104.679 -17.792 3.719 580 HE1 TYR 67 HE1 TYR 67 108.844 -19.347 5.920 581 HE2 TYR 67 HE2 TYR 67 104.681 -18.309 6.144 582 HH TYR 67 HH TYR 67 106.291 -18.447 7.992 583 H ASN 68 HN ASN 68 104.670 -19.499 0.515 584 HA ASN 68 HA ASN 68 103.819 -21.359 2.471 585 HB2 ASN 68 HB2 ASN 68 102.292 -19.862 1.207 586 HB3 ASN 68 HB1 ASN 68 102.601 -20.812 -0.245 587 HD21 ASN 68 HD21 ASN 68 99.964 -20.627 0.807 588 HD22 ASN 68 HD22 ASN 68 99.517 -22.145 1.420 589 H THR 69 HN THR 69 105.007 -21.732 -0.837 590 HA THR 69 HA THR 69 104.426 -24.483 -1.129 591 HB THR 69 HB THR 69 106.192 -24.407 -2.907 592 HG1 THR 69 HG1 THR 69 107.643 -22.941 -2.541 593 HG21 THR 69 HG21 THR 69 104.253 -23.812 -3.936 594 HG22 THR 69 HG22 THR 69 104.976 -22.203 -3.960 595 HG23 THR 69 HG23 THR 69 103.837 -22.639 -2.686 596 H PHE 70 HN PHE 70 107.105 -22.758 0.345 597 HA PHE 70 HA PHE 70 108.363 -25.346 1.021 598 HB2 PHE 70 HB2 PHE 70 109.589 -22.577 1.000 599 HB3 PHE 70 HB1 PHE 70 110.433 -24.081 1.367 600 HD1 PHE 70 HD1 PHE 70 109.920 -21.762 -1.150 601 HD2 PHE 70 HD2 PHE 70 109.878 -26.009 -0.511 602 HE1 PHE 70 HE1 PHE 70 110.321 -22.130 -3.570 603 HE2 PHE 70 HE2 PHE 70 110.278 -26.377 -2.930 604 HZ PHE 70 HZ PHE 70 110.500 -24.438 -4.460 605 H GLY 71 HN GLY 71 106.168 -23.474 2.305 606 HA2 GLY 71 HA2 GLY 71 107.248 -23.746 5.046 607 HA3 GLY 71 HA1 GLY 71 106.377 -22.298 4.552 608 HA PRO 72 HA PRO 72 103.203 -25.163 6.222 609 HB2 PRO 72 HB2 PRO 72 101.989 -23.349 7.855 610 HB3 PRO 72 HB1 PRO 72 103.420 -24.277 8.341 611 HG2 PRO 72 HG2 PRO 72 103.197 -21.450 7.508 612 HG3 PRO 72 HG1 PRO 72 104.325 -22.214 8.638 613 HD2 PRO 72 HD2 PRO 72 104.902 -21.480 5.989 614 HD3 PRO 72 HD1 PRO 72 105.884 -22.571 6.990 615 H GLU 73 HN GLU 73 100.878 -25.143 5.934 616 HA GLU 73 HA GLU 73 100.058 -23.610 3.619 617 HB2 GLU 73 HB2 GLU 73 99.423 -25.986 3.887 618 HB3 GLU 73 HB1 GLU 73 98.486 -25.561 5.320 619 HG2 GLU 73 HG2 GLU 73 97.018 -24.143 4.014 620 HG3 GLU 73 HG1 GLU 73 98.019 -24.358 2.580 621 H LYS 74 HN LYS 74 99.629 -23.480 7.066 622 HA LYS 74 HA LYS 74 97.285 -21.915 7.195 623 HB2 LYS 74 HB2 LYS 74 99.659 -22.056 9.068 624 HB3 LYS 74 HB1 LYS 74 98.135 -21.251 9.445 625 HG2 LYS 74 HG2 LYS 74 97.081 -23.210 9.864 626 HG3 LYS 74 HG1 LYS 74 97.765 -23.976 8.429 627 HD2 LYS 74 HD2 LYS 74 98.636 -25.152 10.344 628 HD3 LYS 74 HD1 LYS 74 99.951 -24.171 9.692 629 HE2 LYS 74 HE2 LYS 74 99.583 -22.462 11.380 630 HE3 LYS 74 HE1 LYS 74 98.152 -23.303 11.974 631 HZ1 LYS 74 HZ1 LYS 74 100.160 -23.717 13.315 632 HZ2 LYS 74 HZ2 LYS 74 100.890 -24.451 11.967 633 HZ3 LYS 74 HZ3 LYS 74 99.499 -25.137 12.664 634 H VAL 75 HN VAL 75 100.719 -20.985 7.097 635 HA VAL 75 HA VAL 75 101.746 -19.003 6.555 636 HB VAL 75 HB VAL 75 99.145 -18.393 5.132 637 HG11 VAL 75 HG11 VAL 75 100.810 -16.522 5.458 638 HG12 VAL 75 HG12 VAL 75 100.495 -16.924 3.769 639 HG13 VAL 75 HG13 VAL 75 101.976 -17.482 4.547 640 HG21 VAL 75 HG21 VAL 75 100.129 -19.478 3.194 641 HG22 VAL 75 HG22 VAL 75 100.159 -20.621 4.538 642 HG23 VAL 75 HG23 VAL 75 101.631 -19.770 4.070 643 HA PRO 76 HA PRO 76 100.615 -16.357 9.928 644 HB2 PRO 76 HB2 PRO 76 102.154 -14.362 8.330 645 HB3 PRO 76 HB1 PRO 76 102.345 -14.839 10.029 646 HG2 PRO 76 HG2 PRO 76 104.037 -15.660 8.130 647 HG3 PRO 76 HG1 PRO 76 103.604 -16.679 9.512 648 HD2 PRO 76 HD2 PRO 76 102.769 -16.907 6.666 649 HD3 PRO 76 HD1 PRO 76 102.947 -18.168 7.905 650 H VAL 77 HN VAL 77 98.689 -15.375 10.138 651 HA VAL 77 HA VAL 77 97.349 -14.239 7.830 652 HB VAL 77 HB VAL 77 96.478 -14.455 10.723 653 HG11 VAL 77 HG11 VAL 77 94.917 -12.959 10.026 654 HG12 VAL 77 HG12 VAL 77 94.227 -14.324 9.149 655 HG13 VAL 77 HG13 VAL 77 95.310 -13.204 8.324 656 HG21 VAL 77 HG21 VAL 77 96.776 -16.421 8.700 657 HG22 VAL 77 HG22 VAL 77 95.046 -16.098 8.832 658 HG23 VAL 77 HG23 VAL 77 95.961 -16.599 10.255 659 H THR 78 HN THR 78 99.139 -13.120 10.583 660 HA THR 78 HA THR 78 98.213 -10.566 11.008 661 HB THR 78 HB THR 78 100.368 -10.025 11.851 662 HG1 THR 78 HG1 THR 78 102.202 -11.022 11.131 663 HG21 THR 78 HG21 THR 78 100.657 -11.757 13.352 664 HG22 THR 78 HG22 THR 78 100.533 -12.998 12.105 665 HG23 THR 78 HG23 THR 78 99.079 -12.195 12.699 666 H ALA 79 HN ALA 79 99.895 -11.816 8.229 667 HA ALA 79 HA ALA 79 100.845 -9.437 7.088 668 HB1 ALA 79 HB1 ALA 79 100.227 -12.162 6.147 669 HB2 ALA 79 HB2 ALA 79 101.636 -11.149 5.831 670 HB3 ALA 79 HB3 ALA 79 100.154 -10.913 4.904 671 H PHE 80 HN PHE 80 97.633 -10.665 7.430 672 HA PHE 80 HA PHE 80 96.426 -9.223 5.279 673 HB2 PHE 80 HB2 PHE 80 95.485 -11.241 6.568 674 HB3 PHE 80 HB1 PHE 80 95.009 -10.071 7.799 675 HD1 PHE 80 HD1 PHE 80 92.993 -8.895 7.574 676 HD2 PHE 80 HD2 PHE 80 94.781 -10.703 4.113 677 HE1 PHE 80 HE1 PHE 80 91.001 -8.287 6.228 678 HE2 PHE 80 HE2 PHE 80 92.789 -10.095 2.767 679 HZ PHE 80 HZ PHE 80 90.899 -8.887 3.825 680 H SER 81 HN SER 81 97.119 -8.514 8.654 681 HA SER 81 HA SER 81 95.523 -6.153 8.814 682 HB2 SER 81 HB2 SER 81 97.930 -6.957 10.463 683 HB3 SER 81 HB1 SER 81 96.754 -5.714 10.883 684 HG SER 81 HG SER 81 95.915 -8.330 10.277 685 H TYR 82 HN TYR 82 98.923 -6.787 8.057 686 HA TYR 82 HA TYR 82 99.847 -4.142 8.016 687 HB2 TYR 82 HB2 TYR 82 100.742 -6.738 6.946 688 HB3 TYR 82 HB1 TYR 82 101.331 -5.332 6.058 689 HD1 TYR 82 HD1 TYR 82 101.357 -7.108 9.277 690 HD2 TYR 82 HD2 TYR 82 102.747 -3.650 7.142 691 HE1 TYR 82 HE1 TYR 82 103.013 -6.666 11.071 692 HE2 TYR 82 HE2 TYR 82 104.403 -3.208 8.935 693 HH TYR 82 HH TYR 82 105.517 -5.190 10.935 694 H TRP 83 HN TRP 83 98.566 -6.140 5.356 695 HA TRP 83 HA TRP 83 98.790 -4.212 3.328 696 HB2 TRP 83 HB2 TRP 83 98.362 -6.404 2.601 697 HB3 TRP 83 HB1 TRP 83 97.008 -6.606 3.711 698 HD1 TRP 83 HD1 TRP 83 97.911 -4.255 0.765 699 HE1 TRP 83 HE1 TRP 83 95.773 -3.856 -0.620 700 HE3 TRP 83 HE3 TRP 83 94.564 -6.961 3.512 701 HZ2 TRP 83 HZ2 TRP 83 93.009 -4.588 -0.569 702 HZ3 TRP 83 HZ3 TRP 83 92.188 -7.094 2.822 703 HH2 TRP 83 HH2 TRP 83 91.406 -5.912 0.788 704 H ASN 84 HN ASN 84 96.169 -4.892 5.615 705 HA ASN 84 HA ASN 84 94.290 -3.085 4.501 706 HB2 ASN 84 HB2 ASN 84 94.595 -4.340 7.224 707 HB3 ASN 84 HB1 ASN 84 93.293 -3.209 6.865 708 HD21 ASN 84 HD21 ASN 84 93.150 -6.185 7.410 709 HD22 ASN 84 HD22 ASN 84 92.361 -6.838 6.057 710 H LEU 85 HN LEU 85 96.725 -2.755 7.058 711 HA LEU 85 HA LEU 85 95.947 -0.107 7.805 712 HB2 LEU 85 HB2 LEU 85 97.153 -1.525 9.371 713 HB3 LEU 85 HB1 LEU 85 98.525 -1.627 8.266 714 HG LEU 85 HG LEU 85 98.864 0.802 8.438 715 HD11 LEU 85 HD11 LEU 85 96.324 0.585 10.013 716 HD12 LEU 85 HD12 LEU 85 96.799 1.795 8.822 717 HD13 LEU 85 HD13 LEU 85 97.485 1.840 10.447 718 HD21 LEU 85 HD21 LEU 85 99.849 -0.847 10.124 719 HD22 LEU 85 HD22 LEU 85 98.568 -0.342 11.225 720 HD23 LEU 85 HD23 LEU 85 99.757 0.830 10.660 721 H ILE 86 HN ILE 86 98.470 -1.445 5.698 722 HA ILE 86 HA ILE 86 99.629 1.074 5.026 723 HB ILE 86 HB ILE 86 99.961 -1.724 4.256 724 HG12 ILE 86 HG12 ILE 86 101.959 0.502 3.921 725 HG13 ILE 86 HG11 ILE 86 101.484 -0.015 5.540 726 HG21 ILE 86 HG21 ILE 86 100.263 0.462 2.177 727 HG22 ILE 86 HG22 ILE 86 99.238 -0.969 2.068 728 HG23 ILE 86 HG23 ILE 86 100.994 -1.137 2.037 729 HD11 ILE 86 HD11 ILE 86 102.297 -2.063 3.493 730 HD12 ILE 86 HD12 ILE 86 102.360 -2.167 5.253 731 HD13 ILE 86 HD13 ILE 86 103.531 -1.173 4.385 732 H LYS 87 HN LYS 87 97.037 -0.885 3.675 733 HA LYS 87 HA LYS 87 96.711 0.400 1.209 734 HB2 LYS 87 HB2 LYS 87 95.403 -1.491 1.360 735 HB3 LYS 87 HB1 LYS 87 94.930 -1.161 3.027 736 HG2 LYS 87 HG2 LYS 87 93.384 0.533 2.354 737 HG3 LYS 87 HG1 LYS 87 94.024 0.559 0.710 738 HD2 LYS 87 HD2 LYS 87 93.243 -1.767 0.376 739 HD3 LYS 87 HD1 LYS 87 92.574 -1.767 2.009 740 HE2 LYS 87 HE2 LYS 87 91.085 0.098 1.413 741 HE3 LYS 87 HE1 LYS 87 91.765 0.133 -0.213 742 HZ1 LYS 87 HZ1 LYS 87 89.632 -1.357 0.613 743 HZ2 LYS 87 HZ2 LYS 87 90.904 -2.483 0.540 744 HZ3 LYS 87 HZ3 LYS 87 90.498 -1.565 -0.831 745 H GLU 88 HN GLU 88 95.553 1.254 4.432 746 HA GLU 88 HA GLU 88 94.024 3.513 3.411 747 HB2 GLU 88 HB2 GLU 88 93.495 3.892 5.814 748 HB3 GLU 88 HB1 GLU 88 93.086 2.264 5.273 749 HG2 GLU 88 HG2 GLU 88 95.120 1.369 6.246 750 HG3 GLU 88 HG1 GLU 88 95.682 2.989 6.658 751 H LEU 89 HN LEU 89 97.162 2.851 4.685 752 HA LEU 89 HA LEU 89 97.823 5.319 5.843 753 HB2 LEU 89 HB2 LEU 89 99.132 3.013 5.651 754 HB3 LEU 89 HB1 LEU 89 99.893 3.836 4.289 755 HG LEU 89 HG LEU 89 101.204 4.278 6.286 756 HD11 LEU 89 HD11 LEU 89 101.332 6.617 6.101 757 HD12 LEU 89 HD12 LEU 89 99.590 6.790 5.891 758 HD13 LEU 89 HD13 LEU 89 100.577 6.147 4.577 759 HD21 LEU 89 HD21 LEU 89 98.745 4.133 7.587 760 HD22 LEU 89 HD22 LEU 89 99.186 5.836 7.720 761 HD23 LEU 89 HD23 LEU 89 100.278 4.592 8.329 762 H ILE 90 HN ILE 90 98.153 4.187 2.489 763 HA ILE 90 HA ILE 90 99.423 6.491 1.473 764 HB ILE 90 HB ILE 90 97.643 4.454 0.116 765 HG12 ILE 90 HG12 ILE 90 100.632 4.780 0.479 766 HG13 ILE 90 HG11 ILE 90 99.626 3.408 0.950 767 HG21 ILE 90 HG21 ILE 90 99.548 6.435 -1.160 768 HG22 ILE 90 HG22 ILE 90 97.804 6.681 -1.073 769 HG23 ILE 90 HG23 ILE 90 98.458 5.320 -1.983 770 HD11 ILE 90 HD11 ILE 90 100.447 2.557 -1.022 771 HD12 ILE 90 HD12 ILE 90 100.677 4.153 -1.737 772 HD13 ILE 90 HD13 ILE 90 99.066 3.437 -1.676 773 H ASP 91 HN ASP 91 95.995 5.607 1.727 774 HA ASP 91 HA ASP 91 94.930 7.822 0.359 775 HB2 ASP 91 HB2 ASP 91 93.868 5.941 2.442 776 HB3 ASP 91 HB1 ASP 91 92.912 7.335 1.945 777 H LYS 92 HN LYS 92 95.976 7.403 3.694 778 HA LYS 92 HA LYS 92 94.858 9.807 4.716 779 HB2 LYS 92 HB2 LYS 92 97.109 8.019 5.630 780 HB3 LYS 92 HB1 LYS 92 96.658 9.480 6.509 781 HG2 LYS 92 HG2 LYS 92 94.367 8.652 6.769 782 HG3 LYS 92 HG1 LYS 92 94.762 7.213 5.827 783 HD2 LYS 92 HD2 LYS 92 96.474 6.600 7.523 784 HD3 LYS 92 HD1 LYS 92 95.999 8.003 8.481 785 HE2 LYS 92 HE2 LYS 92 93.706 7.112 8.661 786 HE3 LYS 92 HE1 LYS 92 94.175 5.710 7.699 787 HZ1 LYS 92 HZ1 LYS 92 95.778 5.111 9.384 788 HZ2 LYS 92 HZ2 LYS 92 94.234 5.251 10.082 789 HZ3 LYS 92 HZ3 LYS 92 95.383 6.483 10.300 790 H LYS 93 HN LYS 93 95.766 11.829 5.026 791 HA LYS 93 HA LYS 93 97.613 12.709 3.037 792 HB2 LYS 93 HB2 LYS 93 96.472 14.085 5.479 793 HB3 LYS 93 HB1 LYS 93 97.474 14.890 4.270 794 HG2 LYS 93 HG2 LYS 93 95.848 14.303 2.516 795 HG3 LYS 93 HG1 LYS 93 94.848 13.479 3.713 796 HD2 LYS 93 HD2 LYS 93 94.539 15.587 4.935 797 HD3 LYS 93 HD1 LYS 93 95.575 16.423 3.777 798 HE2 LYS 93 HE2 LYS 93 94.004 15.906 1.964 799 HE3 LYS 93 HE1 LYS 93 92.980 15.010 3.088 800 HZ1 LYS 93 HZ1 LYS 93 91.955 17.000 3.221 801 HZ2 LYS 93 HZ2 LYS 93 93.338 17.884 2.783 802 HZ3 LYS 93 HZ3 LYS 93 93.162 17.309 4.372 803 H GLU 94 HN GLU 94 98.145 11.008 5.803 804 HA GLU 94 HA GLU 94 100.471 12.378 6.807 805 HB2 GLU 94 HB2 GLU 94 98.956 10.813 8.131 806 HB3 GLU 94 HB1 GLU 94 99.743 9.486 7.276 807 HG2 GLU 94 HG2 GLU 94 101.920 10.166 8.123 808 HG3 GLU 94 HG1 GLU 94 101.217 11.596 8.874 809 H VAL 95 HN VAL 95 101.018 12.316 4.237 810 HA VAL 95 HA VAL 95 102.872 10.041 3.855 811 HB VAL 95 HB VAL 95 102.685 10.678 1.392 812 HG11 VAL 95 HG11 VAL 95 100.089 9.799 1.555 813 HG12 VAL 95 HG12 VAL 95 100.722 9.329 3.132 814 HG13 VAL 95 HG13 VAL 95 101.504 8.752 1.660 815 HG21 VAL 95 HG21 VAL 95 100.217 12.120 2.411 816 HG22 VAL 95 HG22 VAL 95 100.738 11.978 0.732 817 HG23 VAL 95 HG23 VAL 95 101.685 12.936 1.871 818 H ASN 96 HN ASN 96 104.987 10.468 3.562 819 HA ASN 96 HA ASN 96 106.007 13.050 4.170 820 HB2 ASN 96 HB2 ASN 96 107.996 11.481 2.860 821 HB3 ASN 96 HB1 ASN 96 107.829 11.820 4.582 822 HD21 ASN 96 HD21 ASN 96 106.899 9.506 2.030 823 HD22 ASN 96 HD22 ASN 96 106.508 8.244 3.095 824 HA PRO 97 HA PRO 97 106.539 15.382 0.505 825 HB2 PRO 97 HB2 PRO 97 109.450 14.685 0.494 826 HB3 PRO 97 HB1 PRO 97 108.671 16.273 0.364 827 HG2 PRO 97 HG2 PRO 97 109.810 15.390 2.639 828 HG3 PRO 97 HG1 PRO 97 108.418 16.484 2.618 829 HD2 PRO 97 HD2 PRO 97 108.534 13.648 3.431 830 HD3 PRO 97 HD1 PRO 97 107.292 14.865 3.793 831 H GLN 98 HN GLN 98 107.628 12.117 0.666 832 HA GLN 98 HA GLN 98 108.531 11.493 -1.846 833 HB2 GLN 98 HB2 GLN 98 107.977 9.291 -1.386 834 HB3 GLN 98 HB1 GLN 98 107.966 9.982 0.237 835 HG2 GLN 98 HG2 GLN 98 105.453 10.474 -0.241 836 HG3 GLN 98 HG1 GLN 98 105.628 9.276 -1.523 837 HE21 GLN 98 HE21 GLN 98 103.936 8.802 0.744 838 HE22 GLN 98 HE22 GLN 98 104.614 7.540 1.656 839 H VAL 99 HN VAL 99 105.529 12.860 -1.061 840 HA VAL 99 HA VAL 99 103.823 11.779 -3.011 841 HB VAL 99 HB VAL 99 103.897 14.566 -1.830 842 HG11 VAL 99 HG11 VAL 99 102.545 14.800 -3.732 843 HG12 VAL 99 HG12 VAL 99 101.376 14.356 -2.488 844 HG13 VAL 99 HG13 VAL 99 101.950 13.142 -3.631 845 HG21 VAL 99 HG21 VAL 99 102.065 13.638 -0.406 846 HG22 VAL 99 HG22 VAL 99 103.602 12.811 -0.153 847 HG23 VAL 99 HG23 VAL 99 102.344 12.053 -1.129 848 H MET 100 HN MET 100 105.940 14.643 -3.152 849 HA MET 100 HA MET 100 105.341 15.308 -5.842 850 HB2 MET 100 HB2 MET 100 107.666 15.957 -4.031 851 HB3 MET 100 HB1 MET 100 107.560 16.561 -5.685 852 HG2 MET 100 HG2 MET 100 105.396 17.611 -5.180 853 HG3 MET 100 HG1 MET 100 105.465 16.984 -3.534 854 HE1 MET 100 HE1 MET 100 106.058 20.602 -2.657 855 HE2 MET 100 HE2 MET 100 105.510 19.050 -2.028 856 HE3 MET 100 HE3 MET 100 104.831 19.673 -3.530 857 H ALA 101 HN ALA 101 107.944 13.395 -4.365 858 HA ALA 101 HA ALA 101 109.216 12.814 -6.875 859 HB1 ALA 101 HB1 ALA 101 110.385 11.034 -5.413 860 HB2 ALA 101 HB2 ALA 101 109.525 11.780 -4.065 861 HB3 ALA 101 HB3 ALA 101 110.661 12.732 -5.021 862 H ALA 102 HN ALA 102 106.520 11.561 -5.185 863 HA ALA 102 HA ALA 102 106.661 8.861 -6.145 864 HB1 ALA 102 HB1 ALA 102 105.373 9.144 -4.193 865 HB2 ALA 102 HB2 ALA 102 104.174 8.903 -5.465 866 HB3 ALA 102 HB3 ALA 102 104.505 10.527 -4.861 867 H VAL 103 HN VAL 103 104.988 11.808 -7.175 868 HA VAL 103 HA VAL 103 103.293 10.887 -9.117 869 HB VAL 103 HB VAL 103 105.049 13.338 -9.062 870 HG11 VAL 103 HG11 VAL 103 104.738 13.115 -11.374 871 HG12 VAL 103 HG12 VAL 103 103.340 14.082 -10.901 872 HG13 VAL 103 HG13 VAL 103 103.159 12.351 -11.185 873 HG21 VAL 103 HG21 VAL 103 102.876 12.750 -7.592 874 HG22 VAL 103 HG22 VAL 103 102.066 13.363 -9.035 875 HG23 VAL 103 HG23 VAL 103 103.206 14.387 -8.161 876 H ALA 104 HN ALA 104 106.799 11.134 -9.272 877 HA ALA 104 HA ALA 104 107.208 10.771 -12.008 878 HB1 ALA 104 HB1 ALA 104 108.873 9.672 -9.729 879 HB2 ALA 104 HB2 ALA 104 109.012 11.295 -10.406 880 HB3 ALA 104 HB3 ALA 104 109.411 9.890 -11.395 881 H GLN 105 HN GLN 105 106.390 8.454 -9.497 882 HA GLN 105 HA GLN 105 106.955 6.085 -10.929 883 HB2 GLN 105 HB2 GLN 105 106.528 6.181 -8.481 884 HB3 GLN 105 HB1 GLN 105 104.829 6.519 -8.818 885 HG2 GLN 105 HG2 GLN 105 104.596 4.393 -9.989 886 HG3 GLN 105 HG1 GLN 105 106.315 4.060 -9.785 887 HE21 GLN 105 HE21 GLN 105 104.384 2.251 -8.746 888 HE22 GLN 105 HE22 GLN 105 104.432 2.318 -7.050 889 H THR 106 HN THR 106 103.989 8.021 -10.630 890 HA THR 106 HA THR 106 102.370 6.329 -12.240 891 HB THR 106 HB THR 106 100.900 8.360 -12.412 892 HG1 THR 106 HG1 THR 106 102.195 10.066 -12.312 893 HG21 THR 106 HG21 THR 106 100.525 6.899 -10.559 894 HG22 THR 106 HG22 THR 106 100.570 8.530 -9.889 895 HG23 THR 106 HG23 THR 106 101.971 7.472 -9.729 896 H GLU 107 HN GLU 107 104.596 8.941 -12.948 897 HA GLU 107 HA GLU 107 103.770 9.098 -15.736 898 HB2 GLU 107 HB2 GLU 107 106.040 10.445 -14.250 899 HB3 GLU 107 HB1 GLU 107 105.563 10.790 -15.913 900 HG2 GLU 107 HG2 GLU 107 103.354 11.511 -15.175 901 HG3 GLU 107 HG1 GLU 107 103.734 11.067 -13.512 902 H GLU 108 HN GLU 108 105.146 8.607 -17.502 903 HA GLU 108 HA GLU 108 106.651 6.197 -17.175 904 HB2 GLU 108 HB2 GLU 108 106.303 8.061 -19.533 905 HB3 GLU 108 HB1 GLU 108 107.166 6.524 -19.610 906 HG2 GLU 108 HG2 GLU 108 105.163 5.312 -18.949 907 HG3 GLU 108 HG1 GLU 108 104.289 6.823 -18.704 908 H ILE 109 HN ILE 109 108.726 5.982 -16.653 909 HA ILE 109 HA ILE 109 110.405 8.074 -15.926 910 HB ILE 109 HB ILE 109 112.234 6.416 -16.023 911 HG12 ILE 109 HG12 ILE 109 110.163 4.552 -17.218 912 HG13 ILE 109 HG11 ILE 109 111.394 5.371 -18.179 913 HG21 ILE 109 HG21 ILE 109 109.552 5.668 -14.880 914 HG22 ILE 109 HG22 ILE 109 110.995 6.231 -14.038 915 HG23 ILE 109 HG23 ILE 109 110.932 4.589 -14.679 916 HD11 ILE 109 HD11 ILE 109 112.258 3.841 -15.754 917 HD12 ILE 109 HD12 ILE 109 113.132 4.143 -17.255 918 HD13 ILE 109 HD13 ILE 109 111.839 2.943 -17.213 919 H LEU 110 HN LEU 110 109.683 6.816 -19.064 920 HA LEU 110 HA LEU 110 111.998 7.675 -20.454 921 HB2 LEU 110 HB2 LEU 110 109.151 7.298 -21.413 922 HB3 LEU 110 HB1 LEU 110 110.542 7.549 -22.469 923 HG LEU 110 HG LEU 110 110.317 5.292 -20.458 924 HD11 LEU 110 HD11 LEU 110 108.658 4.986 -22.218 925 HD12 LEU 110 HD12 LEU 110 109.995 3.868 -22.489 926 HD13 LEU 110 HD13 LEU 110 109.864 5.337 -23.457 927 HD21 LEU 110 HD21 LEU 110 112.163 4.503 -22.246 928 HD22 LEU 110 HD22 LEU 110 112.586 5.456 -20.823 929 HD23 LEU 110 HD23 LEU 110 112.383 6.247 -22.386 930 H LYS 111 HN LYS 111 108.910 9.256 -19.726 931 HA LYS 111 HA LYS 111 109.429 11.618 -21.227 932 HB2 LYS 111 HB2 LYS 111 107.160 10.903 -20.502 933 HB3 LYS 111 HB1 LYS 111 107.606 11.269 -18.835 934 HG2 LYS 111 HG2 LYS 111 108.032 13.613 -19.447 935 HG3 LYS 111 HG1 LYS 111 107.623 13.257 -21.126 936 HD2 LYS 111 HD2 LYS 111 105.346 12.585 -20.421 937 HD3 LYS 111 HD1 LYS 111 105.756 12.981 -18.751 938 HE2 LYS 111 HE2 LYS 111 106.259 15.323 -19.486 939 HE3 LYS 111 HE1 LYS 111 105.683 14.899 -21.099 940 HZ1 LYS 111 HZ1 LYS 111 104.144 15.825 -19.071 941 HZ2 LYS 111 HZ2 LYS 111 103.863 14.150 -19.010 942 HZ3 LYS 111 HZ3 LYS 111 103.572 15.012 -20.446 943 H SER 112 HN SER 112 110.012 10.671 -17.873 944 HA SER 112 HA SER 112 110.677 13.143 -16.778 945 HB2 SER 112 HB2 SER 112 111.894 11.906 -15.089 946 HB3 SER 112 HB1 SER 112 110.440 11.003 -15.510 947 HG SER 112 HG SER 112 112.130 10.114 -17.184 948 H ASN 113 HN ASN 113 112.799 10.782 -18.394 949 HA ASN 113 HA ASN 113 115.186 12.258 -18.172 950 HB2 ASN 113 HB2 ASN 113 114.319 10.257 -20.271 951 HB3 ASN 113 HB1 ASN 113 115.967 10.854 -20.075 952 HD21 ASN 113 HD21 ASN 113 115.029 8.053 -19.701 953 HD22 ASN 113 HD22 ASN 113 115.392 7.652 -18.092 954 H SER 114 HN SER 114 112.729 12.162 -20.738 955 HA SER 114 HA SER 114 113.303 14.877 -21.495 956 HB2 SER 114 HB2 SER 114 113.903 14.303 -23.859 957 HB3 SER 114 HB1 SER 114 115.138 13.857 -22.685 958 HG SER 114 HG SER 114 114.931 11.959 -23.577 959 H GLN 115 HN GLN 115 111.795 15.694 -23.062 960 HA GLN 115 HA GLN 115 109.305 14.129 -23.104 961 HB2 GLN 115 HB2 GLN 115 109.852 17.071 -23.555 962 HB3 GLN 115 HB1 GLN 115 108.263 16.324 -23.722 963 HG2 GLN 115 HG2 GLN 115 108.308 15.608 -21.391 964 HG3 GLN 115 HG1 GLN 115 109.950 16.224 -21.204 965 HE21 GLN 115 HE21 GLN 115 108.467 17.411 -19.399 966 HE22 GLN 115 HE22 GLN 115 107.900 18.941 -19.871 967 H THR 116 HN THR 116 111.852 14.246 -24.998 968 HA THR 116 HA THR 116 111.009 15.087 -27.535 969 HB THR 116 HB THR 116 112.746 13.496 -28.388 970 HG1 THR 116 HG1 THR 116 112.306 11.992 -26.597 971 HG21 THR 116 HG21 THR 116 113.122 15.614 -26.375 972 HG22 THR 116 HG22 THR 116 113.878 15.415 -27.956 973 HG23 THR 116 HG23 THR 116 114.507 14.537 -26.563 974 H ASP 117 HN ASP 117 110.712 11.928 -25.938 975 HA ASP 117 HA ASP 117 109.578 10.518 -28.087 976 HB2 ASP 117 HB2 ASP 117 109.497 10.194 -25.104 977 HB3 ASP 117 HB1 ASP 117 108.514 9.156 -26.135 978 H LEU 118 HN LEU 118 108.021 12.286 -25.415 979 HA LEU 118 HA LEU 118 105.574 12.436 -27.066 980 HB2 LEU 118 HB2 LEU 118 105.764 11.938 -24.087 981 HB3 LEU 118 HB1 LEU 118 104.266 12.297 -24.945 982 HG LEU 118 HG LEU 118 106.089 9.990 -25.668 983 HD11 LEU 118 HD11 LEU 118 103.886 8.817 -24.628 984 HD12 LEU 118 HD12 LEU 118 103.949 10.265 -23.624 985 HD13 LEU 118 HD13 LEU 118 105.326 9.164 -23.671 986 HD21 LEU 118 HD21 LEU 118 103.625 11.176 -26.752 987 HD22 LEU 118 HD22 LEU 118 103.510 9.437 -26.485 988 HD23 LEU 118 HD23 LEU 118 104.779 10.087 -27.522 989 H GLU 119 HN GLU 119 106.620 14.510 -27.678 990 HA GLU 119 HA GLU 119 106.747 16.578 -25.644 991 HB2 GLU 119 HB2 GLU 119 108.355 16.529 -27.529 992 HB3 GLU 119 HB1 GLU 119 107.020 16.792 -28.652 993 HG2 GLU 119 HG2 GLU 119 106.499 18.930 -27.591 994 HG3 GLU 119 HG1 GLU 119 107.752 18.662 -26.381 995 H HIS 120 HN HIS 120 104.638 16.796 -24.881 996 HA HIS 120 HA HIS 120 102.340 17.048 -26.507 997 HB2 HIS 120 HB2 HIS 120 102.973 17.891 -23.683 998 HB3 HIS 120 HB1 HIS 120 101.403 18.212 -24.418 999 HD1 HIS 120 HD1 HIS 120 103.660 15.353 -23.409 1000 HD2 HIS 120 HD2 HIS 120 99.736 15.959 -24.679 1001 HE1 HIS 120 HE1 HIS 120 102.460 13.143 -23.108 1002 HE2 HIS 120 HE2 HIS 120 100.067 13.496 -23.878 1003 H HIS 121 HN HIS 121 104.480 19.484 -25.044 1004 HA HIS 121 HA HIS 121 103.120 21.571 -26.616 1005 HB2 HIS 121 HB2 HIS 121 105.019 21.747 -24.267 1006 HB3 HIS 121 HB1 HIS 121 104.387 23.144 -25.140 1007 HD1 HIS 121 HD1 HIS 121 101.790 23.577 -24.982 1008 HD2 HIS 121 HD2 HIS 121 103.189 20.535 -22.497 1009 HE1 HIS 121 HE1 HIS 121 99.936 23.095 -23.324 1010 HE2 HIS 121 HE2 HIS 121 100.774 21.244 -21.802 1011 H HIS 122 HN HIS 122 104.024 22.195 -28.460 1012 HA HIS 122 HA HIS 122 106.495 21.282 -29.426 1013 HB2 HIS 122 HB2 HIS 122 104.723 23.589 -30.220 1014 HB3 HIS 122 HB1 HIS 122 106.225 23.229 -31.071 1015 HD1 HIS 122 HD1 HIS 122 103.029 21.424 -30.028 1016 HD2 HIS 122 HD2 HIS 122 105.935 21.283 -33.014 1017 HE1 HIS 122 HE1 HIS 122 102.275 19.657 -31.678 1018 HE2 HIS 122 HE2 HIS 122 104.036 19.558 -33.505 1019 H HIS 123 HN HIS 123 105.610 24.403 -27.964 1020 HA HIS 123 HA HIS 123 108.496 24.931 -27.573 1021 HB2 HIS 123 HB2 HIS 123 106.243 26.918 -27.952 1022 HB3 HIS 123 HB1 HIS 123 107.924 27.335 -27.618 1023 HD1 HIS 123 HD1 HIS 123 109.561 27.276 -29.560 1024 HD2 HIS 123 HD2 HIS 123 105.847 25.666 -30.556 1025 HE1 HIS 123 HE1 HIS 123 109.592 26.898 -32.064 1026 HE2 HIS 123 HE2 HIS 123 107.334 25.917 -32.687 1027 H HIS 124 HN HIS 124 109.182 25.580 -25.567 1028 HA HIS 124 HA HIS 124 107.629 24.806 -23.322 1029 HB2 HIS 124 HB2 HIS 124 110.211 26.338 -23.615 1030 HB3 HIS 124 HB1 HIS 124 109.492 26.003 -22.039 1031 HD1 HIS 124 HD1 HIS 124 110.878 24.217 -25.081 1032 HD2 HIS 124 HD2 HIS 124 109.825 23.370 -21.137 1033 HE1 HIS 124 HE1 HIS 124 111.677 21.859 -24.617 1034 HE2 HIS 124 HE2 HIS 124 111.043 21.327 -22.216 1035 H HIS 125 HN HIS 125 108.468 27.973 -24.691 1036 HA HIS 125 HA HIS 125 106.113 29.128 -23.410 1037 HB2 HIS 125 HB2 HIS 125 108.069 29.369 -21.807 1038 HB3 HIS 125 HB1 HIS 125 108.813 30.422 -23.011 1039 HD1 HIS 125 HD1 HIS 125 108.009 32.811 -23.111 1040 HD2 HIS 125 HD2 HIS 125 105.491 30.401 -20.826 1041 HE1 HIS 125 HE1 HIS 125 106.328 34.361 -22.023 1042 HE2 HIS 125 HE2 HIS 125 104.785 32.907 -20.626 Start of MODEL 5 1 H21 MYR 1 1H2 MYR 1 118.251 8.473 0.995 2 H22 MYR 1 2H2 MYR 1 117.697 9.009 2.428 3 H31 MYR 1 1H3 MYR 1 115.839 9.879 0.747 4 H32 MYR 1 2H3 MYR 1 116.220 8.428 0.118 5 H41 MYR 1 1H4 MYR 1 115.649 7.338 2.081 6 H42 MYR 1 2H4 MYR 1 115.505 8.743 2.890 7 H51 MYR 1 1H5 MYR 1 113.534 9.262 1.856 8 H52 MYR 1 2H5 MYR 1 113.766 8.167 0.675 9 H61 MYR 1 1H6 MYR 1 112.639 6.701 1.804 10 H62 MYR 1 2H6 MYR 1 113.738 6.779 3.004 11 H71 MYR 1 1H7 MYR 1 112.400 8.741 3.785 12 H72 MYR 1 2H7 MYR 1 111.221 8.117 2.850 13 H81 MYR 1 1H8 MYR 1 112.346 6.936 5.207 14 H82 MYR 1 2H8 MYR 1 110.796 7.383 4.981 15 H91 MYR 1 1H9 MYR 1 111.559 5.394 3.185 16 H92 MYR 1 2H9 MYR 1 111.710 4.900 4.729 17 H101 MYR 1 1H10 MYR 1 109.404 5.507 5.097 18 H102 MYR 1 2H10 MYR 1 109.269 5.838 3.508 19 H111 MYR 1 1H11 MYR 1 109.648 3.569 2.966 20 H112 MYR 1 2H11 MYR 1 109.895 3.204 4.532 21 H121 MYR 1 1H12 MYR 1 107.728 3.177 5.002 22 H122 MYR 1 2H12 MYR 1 107.387 4.395 3.977 23 H131 MYR 1 1H13 MYR 1 107.333 2.971 2.157 24 H132 MYR 1 2H13 MYR 1 107.995 1.749 3.004 25 H141 MYR 1 1H14 MYR 1 105.831 1.135 2.989 26 H142 MYR 1 2H14 MYR 1 105.918 1.928 4.414 27 H143 MYR 1 3H14 MYR 1 105.296 2.675 3.102 28 H GLY 2 HN GLY 2 119.966 9.566 1.244 29 HA2 GLY 2 HA2 GLY 2 121.157 11.280 2.235 30 HA3 GLY 2 HA1 GLY 2 119.853 12.376 1.789 31 H GLN 3 HN GLN 3 119.477 13.442 3.666 32 HA GLN 3 HA GLN 3 119.564 12.267 6.247 33 HB2 GLN 3 HB2 GLN 3 118.308 14.817 5.220 34 HB3 GLN 3 HB1 GLN 3 118.333 14.370 6.925 35 HG2 GLN 3 HG2 GLN 3 120.772 14.286 6.909 36 HG3 GLN 3 HG1 GLN 3 120.797 14.620 5.178 37 HE21 GLN 3 HE21 GLN 3 122.208 16.506 6.248 38 HE22 GLN 3 HE22 GLN 3 121.348 17.927 6.597 39 H GLU 4 HN GLU 4 116.998 12.731 3.889 40 HA GLU 4 HA GLU 4 114.696 12.412 5.299 41 HB2 GLU 4 HB2 GLU 4 115.491 11.112 2.689 42 HB3 GLU 4 HB1 GLU 4 113.848 11.067 3.332 43 HG2 GLU 4 HG2 GLU 4 113.789 13.531 3.374 44 HG3 GLU 4 HG1 GLU 4 115.433 13.583 2.738 45 H LEU 5 HN LEU 5 117.256 10.119 5.001 46 HA LEU 5 HA LEU 5 116.088 7.669 5.388 47 HB2 LEU 5 HB2 LEU 5 118.552 8.137 5.224 48 HB3 LEU 5 HB1 LEU 5 118.513 8.633 6.916 49 HG LEU 5 HG LEU 5 117.534 6.381 7.476 50 HD11 LEU 5 HD11 LEU 5 116.617 5.446 5.578 51 HD12 LEU 5 HD12 LEU 5 118.214 4.702 5.500 52 HD13 LEU 5 HD13 LEU 5 117.854 6.123 4.520 53 HD21 LEU 5 HD21 LEU 5 120.262 6.739 6.260 54 HD22 LEU 5 HD22 LEU 5 119.768 5.148 6.840 55 HD23 LEU 5 HD23 LEU 5 119.822 6.515 7.953 56 H SER 6 HN SER 6 116.448 10.279 7.715 57 HA SER 6 HA SER 6 115.870 8.920 10.084 58 HB2 SER 6 HB2 SER 6 115.100 11.106 10.934 59 HB3 SER 6 HB1 SER 6 116.612 11.253 10.041 60 HG SER 6 HG SER 6 115.409 11.938 8.246 61 H GLN 7 HN GLN 7 113.741 10.091 7.540 62 HA GLN 7 HA GLN 7 111.273 9.869 8.839 63 HB2 GLN 7 HB2 GLN 7 112.015 9.425 5.941 64 HB3 GLN 7 HB1 GLN 7 110.353 9.499 6.529 65 HG2 GLN 7 HG2 GLN 7 110.771 11.760 7.426 66 HG3 GLN 7 HG1 GLN 7 112.429 11.689 6.830 67 HE21 GLN 7 HE21 GLN 7 112.463 13.119 5.071 68 HE22 GLN 7 HE22 GLN 7 111.352 13.084 3.788 69 H HIS 8 HN HIS 8 113.194 7.428 7.129 70 HA HIS 8 HA HIS 8 111.348 5.315 7.235 71 HB2 HIS 8 HB2 HIS 8 113.444 5.299 5.896 72 HB3 HIS 8 HB1 HIS 8 114.365 5.126 7.391 73 HD1 HIS 8 HD1 HIS 8 111.555 3.326 5.539 74 HD2 HIS 8 HD2 HIS 8 114.664 2.495 8.190 75 HE1 HIS 8 HE1 HIS 8 111.590 0.811 5.838 76 HE2 HIS 8 HE2 HIS 8 113.480 0.288 7.450 77 H GLU 9 HN GLU 9 113.990 6.145 9.484 78 HA GLU 9 HA GLU 9 113.687 4.138 11.350 79 HB2 GLU 9 HB2 GLU 9 114.348 7.058 11.780 80 HB3 GLU 9 HB1 GLU 9 114.518 5.818 13.022 81 HG2 GLU 9 HG2 GLU 9 116.091 4.579 11.625 82 HG3 GLU 9 HG1 GLU 9 115.870 5.734 10.311 83 H ARG 10 HN ARG 10 111.726 7.023 10.888 84 HA ARG 10 HA ARG 10 110.177 6.639 13.287 85 HB2 ARG 10 HB2 ARG 10 109.616 8.344 10.849 86 HB3 ARG 10 HB1 ARG 10 108.771 8.441 12.393 87 HG2 ARG 10 HG2 ARG 10 110.862 9.045 13.526 88 HG3 ARG 10 HG1 ARG 10 111.743 8.899 12.005 89 HD2 ARG 10 HD2 ARG 10 110.390 10.704 11.032 90 HD3 ARG 10 HD1 ARG 10 109.470 10.836 12.528 91 HE ARG 10 HE ARG 10 112.141 11.161 13.228 92 HH11 ARG 10 HH11 ARG 10 113.045 13.236 13.426 93 HH12 ARG 10 HH12 ARG 10 112.320 14.573 12.599 94 HH21 ARG 10 HH21 ARG 10 109.796 12.667 11.177 95 HH22 ARG 10 HH22 ARG 10 110.481 14.251 11.325 96 H TYR 11 HN TYR 11 109.505 6.267 9.802 97 HA TYR 11 HA TYR 11 106.932 5.279 9.920 98 HB2 TYR 11 HB2 TYR 11 108.211 5.780 7.830 99 HB3 TYR 11 HB1 TYR 11 109.095 4.271 8.058 100 HD1 TYR 11 HD1 TYR 11 108.141 2.178 7.458 101 HD2 TYR 11 HD2 TYR 11 105.689 5.704 7.582 102 HE1 TYR 11 HE1 TYR 11 106.288 0.928 6.384 103 HE2 TYR 11 HE2 TYR 11 103.836 4.452 6.508 104 HH TYR 11 HH TYR 11 103.329 2.549 5.357 105 H VAL 12 HN VAL 12 109.977 3.494 10.298 106 HA VAL 12 HA VAL 12 108.892 0.907 10.435 107 HB VAL 12 HB VAL 12 111.416 2.178 11.436 108 HG11 VAL 12 HG11 VAL 12 112.046 -0.265 12.058 109 HG12 VAL 12 HG12 VAL 12 110.304 -0.528 12.161 110 HG13 VAL 12 HG13 VAL 12 111.080 0.660 13.208 111 HG21 VAL 12 HG21 VAL 12 110.885 1.356 9.021 112 HG22 VAL 12 HG22 VAL 12 111.073 -0.262 9.697 113 HG23 VAL 12 HG23 VAL 12 112.419 0.877 9.746 114 H GLU 13 HN GLU 13 109.896 3.027 13.131 115 HA GLU 13 HA GLU 13 108.774 1.374 15.150 116 HB2 GLU 13 HB2 GLU 13 109.557 4.296 15.151 117 HB3 GLU 13 HB1 GLU 13 109.053 3.412 16.592 118 HG2 GLU 13 HG2 GLU 13 110.890 1.818 16.288 119 HG3 GLU 13 HG1 GLU 13 111.379 2.639 14.806 120 H GLN 14 HN GLN 14 107.600 4.277 13.477 121 HA GLN 14 HA GLN 14 105.220 4.586 14.972 122 HB2 GLN 14 HB2 GLN 14 106.171 6.349 13.517 123 HB3 GLN 14 HB1 GLN 14 105.755 5.384 12.100 124 HG2 GLN 14 HG2 GLN 14 104.011 7.055 12.503 125 HG3 GLN 14 HG1 GLN 14 103.370 5.439 12.790 126 HE21 GLN 14 HE21 GLN 14 101.793 6.021 14.385 127 HE22 GLN 14 HE22 GLN 14 102.215 6.664 15.898 128 H LEU 15 HN LEU 15 105.200 3.744 11.528 129 HA LEU 15 HA LEU 15 102.795 2.648 11.197 130 HB2 LEU 15 HB2 LEU 15 104.997 2.591 9.683 131 HB3 LEU 15 HB1 LEU 15 104.999 0.907 10.208 132 HG LEU 15 HG LEU 15 103.724 1.079 8.143 133 HD11 LEU 15 HD11 LEU 15 101.641 0.899 10.313 134 HD12 LEU 15 HD12 LEU 15 102.910 -0.320 10.182 135 HD13 LEU 15 HD13 LEU 15 101.790 -0.065 8.844 136 HD21 LEU 15 HD21 LEU 15 103.036 3.597 9.111 137 HD22 LEU 15 HD22 LEU 15 101.526 2.690 9.207 138 HD23 LEU 15 HD23 LEU 15 102.373 2.832 7.667 139 H LYS 16 HN LYS 16 105.500 0.962 12.760 140 HA LYS 16 HA LYS 16 104.162 -1.488 13.209 141 HB2 LYS 16 HB2 LYS 16 106.535 -0.132 14.453 142 HB3 LYS 16 HB1 LYS 16 105.900 -1.625 15.146 143 HG2 LYS 16 HG2 LYS 16 106.128 -2.743 12.959 144 HG3 LYS 16 HG1 LYS 16 106.764 -1.252 12.263 145 HD2 LYS 16 HD2 LYS 16 108.686 -1.316 13.751 146 HD3 LYS 16 HD1 LYS 16 108.026 -2.714 14.599 147 HE2 LYS 16 HE2 LYS 16 108.004 -3.794 12.196 148 HE3 LYS 16 HE1 LYS 16 109.214 -2.559 11.848 149 HZ1 LYS 16 HZ1 LYS 16 109.355 -4.835 13.687 150 HZ2 LYS 16 HZ2 LYS 16 110.210 -3.423 14.088 151 HZ3 LYS 16 HZ3 LYS 16 110.531 -4.228 12.627 152 H GLN 17 HN GLN 17 104.503 1.434 15.198 153 HA GLN 17 HA GLN 17 103.161 0.505 17.486 154 HB2 GLN 17 HB2 GLN 17 103.631 3.226 16.305 155 HB3 GLN 17 HB1 GLN 17 102.604 3.040 17.727 156 HG2 GLN 17 HG2 GLN 17 104.397 1.987 18.964 157 HG3 GLN 17 HG1 GLN 17 105.419 1.938 17.528 158 HE21 GLN 17 HE21 GLN 17 106.760 3.219 19.374 159 HE22 GLN 17 HE22 GLN 17 106.625 4.908 19.281 160 H ALA 18 HN ALA 18 101.866 2.555 14.858 161 HA ALA 18 HA ALA 18 99.188 2.500 15.579 162 HB1 ALA 18 HB1 ALA 18 99.341 3.896 13.809 163 HB2 ALA 18 HB2 ALA 18 99.067 2.449 12.838 164 HB3 ALA 18 HB3 ALA 18 100.710 3.022 13.123 165 H LEU 19 HN LEU 19 101.155 -0.065 14.470 166 HA LEU 19 HA LEU 19 98.904 -1.687 13.554 167 HB2 LEU 19 HB2 LEU 19 101.838 -1.813 13.367 168 HB3 LEU 19 HB1 LEU 19 101.056 -3.372 13.627 169 HG LEU 19 HG LEU 19 100.217 -1.397 11.488 170 HD11 LEU 19 HD11 LEU 19 101.752 -3.978 11.107 171 HD12 LEU 19 HD12 LEU 19 102.547 -2.407 11.223 172 HD13 LEU 19 HD13 LEU 19 101.420 -2.730 9.905 173 HD21 LEU 19 HD21 LEU 19 99.057 -3.792 12.600 174 HD22 LEU 19 HD22 LEU 19 99.493 -4.080 10.914 175 HD23 LEU 19 HD23 LEU 19 98.418 -2.746 11.332 176 H LYS 20 HN LYS 20 101.395 -1.801 16.101 177 HA LYS 20 HA LYS 20 100.827 -4.054 17.466 178 HB2 LYS 20 HB2 LYS 20 102.476 -2.385 18.221 179 HB3 LYS 20 HB1 LYS 20 101.163 -1.332 18.750 180 HG2 LYS 20 HG2 LYS 20 100.410 -3.001 20.356 181 HG3 LYS 20 HG1 LYS 20 101.615 -4.150 19.774 182 HD2 LYS 20 HD2 LYS 20 103.414 -2.578 20.458 183 HD3 LYS 20 HD1 LYS 20 102.189 -1.484 21.101 184 HE2 LYS 20 HE2 LYS 20 102.670 -4.335 22.017 185 HE3 LYS 20 HE1 LYS 20 103.123 -2.877 22.900 186 HZ1 LYS 20 HZ1 LYS 20 101.098 -2.815 23.754 187 HZ2 LYS 20 HZ2 LYS 20 100.655 -4.204 22.882 188 HZ3 LYS 20 HZ3 LYS 20 100.428 -2.664 22.203 189 H THR 21 HN THR 21 98.905 -1.073 17.590 190 HA THR 21 HA THR 21 97.067 -1.807 19.555 191 HB THR 21 HB THR 21 96.851 0.407 18.918 192 HG1 THR 21 HG1 THR 21 94.897 0.143 17.234 193 HG21 THR 21 HG21 THR 21 97.380 -0.687 16.198 194 HG22 THR 21 HG22 THR 21 98.077 0.722 16.998 195 HG23 THR 21 HG23 THR 21 96.459 0.814 16.300 196 H ARG 22 HN ARG 22 97.153 -2.576 16.109 197 HA ARG 22 HA ARG 22 94.581 -3.799 15.999 198 HB2 ARG 22 HB2 ARG 22 97.027 -4.084 14.242 199 HB3 ARG 22 HB1 ARG 22 95.463 -4.814 13.878 200 HG2 ARG 22 HG2 ARG 22 95.582 -1.885 14.508 201 HG3 ARG 22 HG1 ARG 22 96.067 -2.435 12.904 202 HD2 ARG 22 HD2 ARG 22 93.893 -3.626 12.689 203 HD3 ARG 22 HD1 ARG 22 93.409 -2.983 14.254 204 HE ARG 22 HE ARG 22 93.578 -1.509 11.747 205 HH11 ARG 22 HH11 ARG 22 92.733 0.598 11.836 206 HH12 ARG 22 HH12 ARG 22 92.367 1.315 13.370 207 HH21 ARG 22 HH21 ARG 22 93.373 -1.453 15.201 208 HH22 ARG 22 HH22 ARG 22 92.729 0.154 15.275 209 H GLY 23 HN GLY 23 97.444 -4.734 17.493 210 HA2 GLY 23 HA2 GLY 23 97.384 -6.682 18.938 211 HA3 GLY 23 HA1 GLY 23 96.473 -7.519 17.685 212 H VAL 24 HN VAL 24 99.228 -5.496 16.946 213 HA VAL 24 HA VAL 24 100.681 -7.897 16.040 214 HB VAL 24 HB VAL 24 101.315 -5.050 15.281 215 HG11 VAL 24 HG11 VAL 24 102.117 -6.323 13.208 216 HG12 VAL 24 HG12 VAL 24 101.891 -7.795 14.151 217 HG13 VAL 24 HG13 VAL 24 103.048 -6.576 14.683 218 HG21 VAL 24 HG21 VAL 24 99.974 -5.860 13.137 219 HG22 VAL 24 HG22 VAL 24 99.127 -5.124 14.499 220 HG23 VAL 24 HG23 VAL 24 99.144 -6.878 14.314 221 H LYS 25 HN LYS 25 103.129 -7.638 16.127 222 HA LYS 25 HA LYS 25 103.876 -6.520 18.760 223 HB2 LYS 25 HB2 LYS 25 105.122 -8.811 17.220 224 HB3 LYS 25 HB1 LYS 25 105.670 -8.210 18.786 225 HG2 LYS 25 HG2 LYS 25 102.799 -9.025 18.436 226 HG3 LYS 25 HG1 LYS 25 104.031 -10.262 18.694 227 HD2 LYS 25 HD2 LYS 25 104.778 -9.037 20.736 228 HD3 LYS 25 HD1 LYS 25 103.452 -7.896 20.501 229 HE2 LYS 25 HE2 LYS 25 101.824 -9.735 20.679 230 HE3 LYS 25 HE1 LYS 25 103.141 -10.888 20.892 231 HZ1 LYS 25 HZ1 LYS 25 101.875 -9.653 22.902 232 HZ2 LYS 25 HZ2 LYS 25 103.206 -8.619 22.683 233 HZ3 LYS 25 HZ3 LYS 25 103.451 -10.270 23.007 234 H VAL 26 HN VAL 26 105.826 -5.392 18.960 235 HA VAL 26 HA VAL 26 107.025 -4.514 16.402 236 HB VAL 26 HB VAL 26 107.211 -2.311 17.219 237 HG11 VAL 26 HG11 VAL 26 104.941 -1.696 17.761 238 HG12 VAL 26 HG12 VAL 26 104.601 -3.306 18.397 239 HG13 VAL 26 HG13 VAL 26 104.864 -3.078 16.668 240 HG21 VAL 26 HG21 VAL 26 106.491 -1.873 19.679 241 HG22 VAL 26 HG22 VAL 26 108.084 -2.575 19.399 242 HG23 VAL 26 HG23 VAL 26 106.744 -3.603 19.906 243 H LYS 27 HN LYS 27 107.698 -6.601 18.586 244 HA LYS 27 HA LYS 27 109.966 -5.891 20.017 245 HB2 LYS 27 HB2 LYS 27 110.617 -8.341 19.716 246 HB3 LYS 27 HB1 LYS 27 109.027 -8.037 20.415 247 HG2 LYS 27 HG2 LYS 27 107.940 -8.433 18.295 248 HG3 LYS 27 HG1 LYS 27 109.493 -8.519 17.461 249 HD2 LYS 27 HD2 LYS 27 110.077 -10.562 18.571 250 HD3 LYS 27 HD1 LYS 27 108.726 -10.410 19.696 251 HE2 LYS 27 HE2 LYS 27 108.113 -12.030 17.999 252 HE3 LYS 27 HE1 LYS 27 107.161 -10.569 17.736 253 HZ1 LYS 27 HZ1 LYS 27 109.278 -10.012 16.255 254 HZ2 LYS 27 HZ2 LYS 27 107.925 -10.841 15.647 255 HZ3 LYS 27 HZ3 LYS 27 109.307 -11.704 16.129 256 H TYR 28 HN TYR 28 112.240 -6.535 19.566 257 HA TYR 28 HA TYR 28 113.232 -5.259 17.263 258 HB2 TYR 28 HB2 TYR 28 114.534 -7.226 19.157 259 HB3 TYR 28 HB1 TYR 28 115.406 -6.349 17.900 260 HD1 TYR 28 HD1 TYR 28 113.796 -6.128 21.168 261 HD2 TYR 28 HD2 TYR 28 115.548 -3.862 17.967 262 HE1 TYR 28 HE1 TYR 28 113.970 -4.155 22.661 263 HE2 TYR 28 HE2 TYR 28 115.724 -1.889 19.459 264 HH TYR 28 HH TYR 28 115.694 -1.940 22.582 265 H ALA 29 HN ALA 29 112.462 -8.626 17.934 266 HA ALA 29 HA ALA 29 113.753 -9.836 15.758 267 HB1 ALA 29 HB1 ALA 29 112.671 -11.724 16.416 268 HB2 ALA 29 HB2 ALA 29 111.103 -10.921 16.495 269 HB3 ALA 29 HB3 ALA 29 112.250 -10.749 17.824 270 H ASP 30 HN ASP 30 110.961 -7.815 15.890 271 HA ASP 30 HA ASP 30 109.725 -8.699 13.465 272 HB2 ASP 30 HB2 ASP 30 109.482 -6.114 15.018 273 HB3 ASP 30 HB1 ASP 30 108.474 -6.542 13.636 274 H LEU 31 HN LEU 31 111.962 -6.075 14.305 275 HA LEU 31 HA LEU 31 112.019 -4.816 11.786 276 HB2 LEU 31 HB2 LEU 31 113.947 -4.936 14.092 277 HB3 LEU 31 HB1 LEU 31 114.365 -4.085 12.604 278 HG LEU 31 HG LEU 31 111.931 -3.045 12.957 279 HD11 LEU 31 HD11 LEU 31 111.619 -4.483 15.025 280 HD12 LEU 31 HD12 LEU 31 111.371 -2.754 15.279 281 HD13 LEU 31 HD13 LEU 31 112.876 -3.514 15.796 282 HD21 LEU 31 HD21 LEU 31 114.395 -2.170 14.500 283 HD22 LEU 31 HD22 LEU 31 113.028 -1.140 14.080 284 HD23 LEU 31 HD23 LEU 31 114.062 -1.793 12.809 285 H LEU 32 HN LEU 32 114.001 -7.425 13.151 286 HA LEU 32 HA LEU 32 115.946 -7.683 11.220 287 HB2 LEU 32 HB2 LEU 32 114.507 -10.009 12.513 288 HB3 LEU 32 HB1 LEU 32 116.156 -9.991 11.889 289 HG LEU 32 HG LEU 32 115.135 -8.294 14.185 290 HD11 LEU 32 HD11 LEU 32 117.210 -10.465 14.374 291 HD12 LEU 32 HD12 LEU 32 115.496 -10.874 14.455 292 HD13 LEU 32 HD13 LEU 32 116.200 -9.783 15.649 293 HD21 LEU 32 HD21 LEU 32 116.885 -7.023 13.378 294 HD22 LEU 32 HD22 LEU 32 117.678 -8.406 12.622 295 HD23 LEU 32 HD23 LEU 32 117.807 -8.160 14.364 296 H LYS 33 HN LYS 33 112.988 -9.687 11.250 297 HA LYS 33 HA LYS 33 113.361 -10.536 8.553 298 HB2 LYS 33 HB2 LYS 33 112.138 -11.861 10.267 299 HB3 LYS 33 HB1 LYS 33 110.850 -10.655 10.241 300 HG2 LYS 33 HG2 LYS 33 110.419 -11.095 7.887 301 HG3 LYS 33 HG1 LYS 33 111.793 -12.198 7.808 302 HD2 LYS 33 HD2 LYS 33 110.702 -13.668 9.473 303 HD3 LYS 33 HD1 LYS 33 109.318 -12.575 9.520 304 HE2 LYS 33 HE2 LYS 33 108.888 -12.973 7.142 305 HE3 LYS 33 HE1 LYS 33 110.311 -14.010 7.040 306 HZ1 LYS 33 HZ1 LYS 33 107.747 -14.505 8.394 307 HZ2 LYS 33 HZ2 LYS 33 109.155 -15.275 8.954 308 HZ3 LYS 33 HZ3 LYS 33 108.627 -15.520 7.358 309 H PHE 34 HN PHE 34 111.107 -8.246 10.091 310 HA PHE 34 HA PHE 34 109.621 -7.601 7.808 311 HB2 PHE 34 HB2 PHE 34 109.034 -6.984 10.167 312 HB3 PHE 34 HB1 PHE 34 110.278 -5.736 10.097 313 HD1 PHE 34 HD1 PHE 34 109.696 -3.602 9.349 314 HD2 PHE 34 HD2 PHE 34 107.310 -6.970 8.161 315 HE1 PHE 34 HE1 PHE 34 108.102 -2.075 8.220 316 HE2 PHE 34 HE2 PHE 34 105.716 -5.442 7.032 317 HZ PHE 34 HZ PHE 34 106.111 -2.995 7.062 318 H PHE 35 HN PHE 35 112.599 -6.173 9.098 319 HA PHE 35 HA PHE 35 112.701 -4.045 7.193 320 HB2 PHE 35 HB2 PHE 35 113.857 -4.127 9.464 321 HB3 PHE 35 HB1 PHE 35 115.048 -5.186 8.709 322 HD1 PHE 35 HD1 PHE 35 114.005 -1.787 9.214 323 HD2 PHE 35 HD2 PHE 35 116.213 -4.352 6.568 324 HE1 PHE 35 HE1 PHE 35 115.163 0.190 8.264 325 HE2 PHE 35 HE2 PHE 35 117.371 -2.375 5.618 326 HZ PHE 35 HZ PHE 35 116.846 -0.105 6.465 327 H ASP 36 HN ASP 36 114.387 -7.169 7.475 328 HA ASP 36 HA ASP 36 115.773 -6.833 4.972 329 HB2 ASP 36 HB2 ASP 36 115.413 -9.188 6.831 330 HB3 ASP 36 HB1 ASP 36 116.351 -9.270 5.341 331 H PHE 37 HN PHE 37 112.673 -7.947 5.936 332 HA PHE 37 HA PHE 37 112.143 -9.838 3.905 333 HB2 PHE 37 HB2 PHE 37 110.576 -9.885 5.619 334 HB3 PHE 37 HB1 PHE 37 110.451 -8.127 5.691 335 HD1 PHE 37 HD1 PHE 37 110.094 -10.709 2.983 336 HD2 PHE 37 HD2 PHE 37 108.367 -7.345 5.021 337 HE1 PHE 37 HE1 PHE 37 108.143 -10.782 1.452 338 HE2 PHE 37 HE2 PHE 37 106.417 -7.418 3.491 339 HZ PHE 37 HZ PHE 37 106.305 -9.137 1.707 340 H VAL 38 HN VAL 38 111.355 -6.363 4.103 341 HA VAL 38 HA VAL 38 110.354 -6.273 1.410 342 HB VAL 38 HB VAL 38 110.528 -3.737 1.855 343 HG11 VAL 38 HG11 VAL 38 108.531 -3.807 3.276 344 HG12 VAL 38 HG12 VAL 38 108.894 -5.472 3.732 345 HG13 VAL 38 HG13 VAL 38 108.455 -5.090 2.067 346 HG21 VAL 38 HG21 VAL 38 110.584 -4.268 4.738 347 HG22 VAL 38 HG22 VAL 38 111.409 -3.012 3.815 348 HG23 VAL 38 HG23 VAL 38 112.121 -4.619 3.949 349 H LYS 39 HN LYS 39 113.395 -5.469 3.010 350 HA LYS 39 HA LYS 39 114.633 -4.093 0.896 351 HB2 LYS 39 HB2 LYS 39 115.492 -4.197 3.235 352 HB3 LYS 39 HB1 LYS 39 115.970 -5.871 2.948 353 HG2 LYS 39 HG2 LYS 39 117.440 -5.157 1.114 354 HG3 LYS 39 HG1 LYS 39 116.939 -3.482 1.349 355 HD2 LYS 39 HD2 LYS 39 117.862 -3.504 3.624 356 HD3 LYS 39 HD1 LYS 39 118.328 -5.194 3.432 357 HE2 LYS 39 HE2 LYS 39 120.315 -4.033 2.936 358 HE3 LYS 39 HE1 LYS 39 119.635 -4.365 1.343 359 HZ1 LYS 39 HZ1 LYS 39 119.509 -1.831 2.873 360 HZ2 LYS 39 HZ2 LYS 39 118.555 -2.130 1.499 361 HZ3 LYS 39 HZ3 LYS 39 120.249 -2.101 1.372 362 H ASP 40 HN ASP 40 114.410 -7.544 1.630 363 HA ASP 40 HA ASP 40 116.227 -8.722 0.014 364 HB2 ASP 40 HB2 ASP 40 113.317 -9.437 0.384 365 HB3 ASP 40 HB1 ASP 40 114.450 -10.470 -0.486 366 H THR 41 HN THR 41 113.047 -7.560 -1.113 367 HA THR 41 HA THR 41 114.130 -7.552 -3.866 368 HB THR 41 HB THR 41 111.667 -7.588 -4.520 369 HG1 THR 41 HG1 THR 41 110.453 -7.261 -2.833 370 HG21 THR 41 HG21 THR 41 111.486 -10.036 -4.108 371 HG22 THR 41 HG22 THR 41 112.844 -9.924 -2.989 372 HG23 THR 41 HG23 THR 41 113.080 -9.573 -4.701 373 H CYS 42 HN CYS 42 113.378 -5.576 -1.318 374 HA CYS 42 HA CYS 42 112.625 -3.377 -1.123 375 HB2 CYS 42 HB2 CYS 42 114.056 -1.877 -2.586 376 HB3 CYS 42 HB1 CYS 42 114.942 -3.035 -1.594 377 HG CYS 42 HG CYS 42 114.615 -4.495 -4.061 378 HA PRO 43 HA PRO 43 109.890 -3.518 -4.913 379 HB2 PRO 43 HB2 PRO 43 107.553 -4.231 -3.707 380 HB3 PRO 43 HB1 PRO 43 108.735 -5.416 -4.296 381 HG2 PRO 43 HG2 PRO 43 108.180 -4.512 -1.530 382 HG3 PRO 43 HG1 PRO 43 108.695 -6.100 -2.123 383 HD2 PRO 43 HD2 PRO 43 110.388 -4.209 -0.928 384 HD3 PRO 43 HD1 PRO 43 110.914 -5.579 -1.928 385 H TRP 44 HN TRP 44 109.247 -2.333 -1.639 386 HA TRP 44 HA TRP 44 107.390 -0.304 -2.502 387 HB2 TRP 44 HB2 TRP 44 108.505 -1.270 0.047 388 HB3 TRP 44 HB1 TRP 44 108.179 0.463 0.002 389 HD1 TRP 44 HD1 TRP 44 105.625 0.819 -1.498 390 HE1 TRP 44 HE1 TRP 44 103.392 -0.241 -0.766 391 HE3 TRP 44 HE3 TRP 44 107.372 -2.990 1.421 392 HZ2 TRP 44 HZ2 TRP 44 102.468 -2.418 0.845 393 HZ3 TRP 44 HZ3 TRP 44 105.795 -4.541 2.541 394 HH2 TRP 44 HH2 TRP 44 103.349 -4.259 2.257 395 H PHE 45 HN PHE 45 110.572 -0.580 -3.039 396 HA PHE 45 HA PHE 45 112.291 0.875 -3.494 397 HB2 PHE 45 HB2 PHE 45 109.962 2.786 -3.788 398 HB3 PHE 45 HB1 PHE 45 111.611 3.118 -4.319 399 HD1 PHE 45 HD1 PHE 45 108.495 1.985 -5.405 400 HD2 PHE 45 HD2 PHE 45 112.679 1.068 -5.740 401 HE1 PHE 45 HE1 PHE 45 108.059 0.773 -7.523 402 HE2 PHE 45 HE2 PHE 45 112.242 -0.144 -7.859 403 HZ PHE 45 HZ PHE 45 109.933 -0.292 -8.751 404 HA PRO 46 HA PRO 46 111.640 2.418 1.021 405 HB2 PRO 46 HB2 PRO 46 114.057 1.104 1.696 406 HB3 PRO 46 HB1 PRO 46 112.413 0.591 2.120 407 HG2 PRO 46 HG2 PRO 46 114.156 -0.295 -0.110 408 HG3 PRO 46 HG1 PRO 46 112.976 -1.212 0.840 409 HD2 PRO 46 HD2 PRO 46 112.438 -0.467 -1.683 410 HD3 PRO 46 HD1 PRO 46 111.163 -0.426 -0.445 411 H GLN 47 HN GLN 47 113.727 2.703 -1.606 412 HA GLN 47 HA GLN 47 115.900 4.147 -0.526 413 HB2 GLN 47 HB2 GLN 47 114.647 4.282 -3.278 414 HB3 GLN 47 HB1 GLN 47 116.206 4.981 -2.844 415 HG2 GLN 47 HG2 GLN 47 115.515 2.049 -2.518 416 HG3 GLN 47 HG1 GLN 47 116.386 2.709 -3.901 417 HE21 GLN 47 HE21 GLN 47 117.001 1.078 -1.133 418 HE22 GLN 47 HE22 GLN 47 118.519 1.721 -0.732 419 H GLU 48 HN GLU 48 112.977 5.355 -2.191 420 HA GLU 48 HA GLU 48 113.479 8.031 -1.114 421 HB2 GLU 48 HB2 GLU 48 112.848 7.776 -3.496 422 HB3 GLU 48 HB1 GLU 48 111.313 7.065 -2.996 423 HG2 GLU 48 HG2 GLU 48 110.994 9.442 -3.461 424 HG3 GLU 48 HG1 GLU 48 110.791 9.145 -1.734 425 H GLY 49 HN GLY 49 111.309 5.314 -0.744 426 HA2 GLY 49 HA2 GLY 49 110.035 4.855 1.181 427 HA3 GLY 49 HA1 GLY 49 110.204 6.538 1.671 428 H THR 50 HN THR 50 108.453 4.308 -0.399 429 HA THR 50 HA THR 50 106.204 6.193 -0.452 430 HB THR 50 HB THR 50 107.532 6.441 -2.581 431 HG1 THR 50 HG1 THR 50 105.520 7.006 -2.941 432 HG21 THR 50 HG21 THR 50 107.435 4.615 -4.204 433 HG22 THR 50 HG22 THR 50 106.551 3.613 -3.053 434 HG23 THR 50 HG23 THR 50 108.227 4.060 -2.729 435 H ILE 51 HN ILE 51 104.187 5.100 -1.246 436 HA ILE 51 HA ILE 51 104.193 2.249 -0.451 437 HB ILE 51 HB ILE 51 101.697 3.867 -0.286 438 HG12 ILE 51 HG12 ILE 51 104.150 4.247 1.405 439 HG13 ILE 51 HG11 ILE 51 102.991 5.450 0.839 440 HG21 ILE 51 HG21 ILE 51 101.173 2.332 1.438 441 HG22 ILE 51 HG22 ILE 51 102.867 1.915 1.697 442 HG23 ILE 51 HG23 ILE 51 102.035 1.358 0.245 443 HD11 ILE 51 HD11 ILE 51 102.680 3.463 3.090 444 HD12 ILE 51 HD12 ILE 51 101.278 4.225 2.337 445 HD13 ILE 51 HD13 ILE 51 102.495 5.216 3.141 446 H ASP 52 HN ASP 52 103.252 0.796 -1.792 447 HA ASP 52 HA ASP 52 101.679 1.781 -4.075 448 HB2 ASP 52 HB2 ASP 52 104.178 0.096 -4.220 449 HB3 ASP 52 HB1 ASP 52 102.984 0.122 -5.517 450 H ILE 53 HN ILE 53 99.843 0.673 -4.188 451 HA ILE 53 HA ILE 53 99.434 -1.712 -2.635 452 HB ILE 53 HB ILE 53 97.597 -0.513 -4.715 453 HG12 ILE 53 HG12 ILE 53 98.209 1.236 -3.140 454 HG13 ILE 53 HG11 ILE 53 96.583 0.674 -2.744 455 HG21 ILE 53 HG21 ILE 53 95.855 -1.620 -3.426 456 HG22 ILE 53 HG22 ILE 53 97.033 -2.147 -2.224 457 HG23 ILE 53 HG23 ILE 53 97.083 -2.810 -3.858 458 HD11 ILE 53 HD11 ILE 53 99.168 0.133 -1.300 459 HD12 ILE 53 HD12 ILE 53 97.808 -0.979 -1.137 460 HD13 ILE 53 HD13 ILE 53 97.633 0.706 -0.646 461 H LYS 54 HN LYS 54 99.796 -0.951 -6.070 462 HA LYS 54 HA LYS 54 99.146 -3.519 -7.067 463 HB2 LYS 54 HB2 LYS 54 99.223 -1.473 -8.465 464 HB3 LYS 54 HB1 LYS 54 100.977 -1.437 -8.284 465 HG2 LYS 54 HG2 LYS 54 101.158 -3.637 -9.351 466 HG3 LYS 54 HG1 LYS 54 99.402 -3.733 -9.486 467 HD2 LYS 54 HD2 LYS 54 99.400 -1.723 -10.919 468 HD3 LYS 54 HD1 LYS 54 101.157 -1.634 -10.794 469 HE2 LYS 54 HE2 LYS 54 101.344 -3.868 -11.832 470 HE3 LYS 54 HE1 LYS 54 99.587 -3.949 -11.968 471 HZ1 LYS 54 HZ1 LYS 54 101.282 -1.849 -13.206 472 HZ2 LYS 54 HZ2 LYS 54 99.605 -2.043 -13.402 473 HZ3 LYS 54 HZ3 LYS 54 100.676 -3.205 -14.025 474 H ARG 55 HN ARG 55 102.319 -1.984 -6.496 475 HA ARG 55 HA ARG 55 103.853 -4.275 -7.127 476 HB2 ARG 55 HB2 ARG 55 104.453 -1.823 -5.464 477 HB3 ARG 55 HB1 ARG 55 105.652 -3.073 -5.801 478 HG2 ARG 55 HG2 ARG 55 105.371 -2.729 -8.212 479 HG3 ARG 55 HG1 ARG 55 104.118 -1.523 -7.910 480 HD2 ARG 55 HD2 ARG 55 106.228 -0.385 -8.338 481 HD3 ARG 55 HD1 ARG 55 105.783 -0.163 -6.649 482 HE ARG 55 HE ARG 55 107.615 -1.479 -6.034 483 HH11 ARG 55 HH11 ARG 55 109.565 -2.541 -6.516 484 HH12 ARG 55 HH12 ARG 55 109.940 -2.951 -8.156 485 HH21 ARG 55 HH21 ARG 55 107.005 -1.620 -9.438 486 HH22 ARG 55 HH22 ARG 55 108.490 -2.429 -9.810 487 H TRP 56 HN TRP 56 102.348 -3.148 -4.157 488 HA TRP 56 HA TRP 56 103.652 -4.803 -2.309 489 HB2 TRP 56 HB2 TRP 56 102.303 -3.170 -1.336 490 HB3 TRP 56 HB1 TRP 56 100.942 -3.516 -2.403 491 HD1 TRP 56 HD1 TRP 56 99.061 -4.595 -1.099 492 HE1 TRP 56 HE1 TRP 56 98.875 -6.344 0.786 493 HE3 TRP 56 HE3 TRP 56 104.013 -5.479 -0.226 494 HZ2 TRP 56 HZ2 TRP 56 100.600 -7.910 2.446 495 HZ3 TRP 56 HZ3 TRP 56 104.714 -7.103 1.510 496 HH2 TRP 56 HH2 TRP 56 103.015 -8.318 2.847 497 H ARG 57 HN ARG 57 100.922 -5.427 -4.458 498 HA ARG 57 HA ARG 57 100.226 -7.966 -3.389 499 HB2 ARG 57 HB2 ARG 57 98.721 -6.646 -4.840 500 HB3 ARG 57 HB1 ARG 57 99.819 -6.906 -6.196 501 HG2 ARG 57 HG2 ARG 57 99.473 -9.306 -6.089 502 HG3 ARG 57 HG1 ARG 57 98.510 -9.140 -4.620 503 HD2 ARG 57 HD2 ARG 57 97.036 -9.404 -6.559 504 HD3 ARG 57 HD1 ARG 57 96.853 -7.792 -5.876 505 HE ARG 57 HE ARG 57 97.813 -6.903 -7.812 506 HH11 ARG 57 HH11 ARG 57 98.527 -7.097 -9.959 507 HH12 ARG 57 HH12 ARG 57 98.902 -8.661 -10.603 508 HH21 ARG 57 HH21 ARG 57 98.139 -10.344 -7.669 509 HH22 ARG 57 HH22 ARG 57 98.683 -10.499 -9.306 510 H ARG 58 HN ARG 58 102.432 -6.931 -5.953 511 HA ARG 58 HA ARG 58 103.054 -9.433 -7.041 512 HB2 ARG 58 HB2 ARG 58 104.662 -6.894 -6.771 513 HB3 ARG 58 HB1 ARG 58 105.278 -8.316 -7.614 514 HG2 ARG 58 HG2 ARG 58 103.333 -8.283 -9.121 515 HG3 ARG 58 HG1 ARG 58 102.689 -6.878 -8.270 516 HD2 ARG 58 HD2 ARG 58 104.683 -5.575 -8.888 517 HD3 ARG 58 HD1 ARG 58 105.350 -6.978 -9.719 518 HE ARG 58 HE ARG 58 103.209 -5.255 -10.669 519 HH11 ARG 58 HH11 ARG 58 102.522 -5.678 -12.792 520 HH12 ARG 58 HH12 ARG 58 103.010 -7.142 -13.579 521 HH21 ARG 58 HH21 ARG 58 104.849 -8.294 -10.875 522 HH22 ARG 58 HH22 ARG 58 104.328 -8.622 -12.493 523 H VAL 59 HN VAL 59 104.743 -7.636 -4.459 524 HA VAL 59 HA VAL 59 106.598 -9.704 -3.878 525 HB VAL 59 HB VAL 59 107.118 -7.469 -3.185 526 HG11 VAL 59 HG11 VAL 59 104.725 -6.738 -2.983 527 HG12 VAL 59 HG12 VAL 59 105.732 -6.209 -1.636 528 HG13 VAL 59 HG13 VAL 59 104.642 -7.581 -1.436 529 HG21 VAL 59 HG21 VAL 59 106.379 -8.815 -0.592 530 HG22 VAL 59 HG22 VAL 59 107.829 -7.889 -0.982 531 HG23 VAL 59 HG23 VAL 59 107.616 -9.513 -1.637 532 H GLY 60 HN GLY 60 103.359 -8.973 -2.741 533 HA2 GLY 60 HA2 GLY 60 103.345 -10.683 -0.477 534 HA3 GLY 60 HA1 GLY 60 101.923 -10.096 -1.334 535 H ASP 61 HN ASP 61 102.298 -11.164 -3.847 536 HA ASP 61 HA ASP 61 101.501 -13.892 -3.400 537 HB2 ASP 61 HB2 ASP 61 101.937 -12.276 -5.918 538 HB3 ASP 61 HB1 ASP 61 101.353 -13.939 -5.913 539 H CYS 62 HN CYS 62 104.380 -12.246 -4.571 540 HA CYS 62 HA CYS 62 105.701 -14.514 -5.642 541 HB2 CYS 62 HB2 CYS 62 106.731 -11.885 -4.568 542 HB3 CYS 62 HB1 CYS 62 107.774 -13.101 -5.306 543 HG CYS 62 HG CYS 62 107.027 -12.306 -7.521 544 H PHE 63 HN PHE 63 105.618 -13.070 -2.416 545 HA PHE 63 HA PHE 63 107.567 -14.936 -1.359 546 HB2 PHE 63 HB2 PHE 63 106.022 -12.615 -0.327 547 HB3 PHE 63 HB1 PHE 63 106.528 -13.828 0.849 548 HD1 PHE 63 HD1 PHE 63 108.708 -13.778 1.706 549 HD2 PHE 63 HD2 PHE 63 107.852 -11.793 -2.007 550 HE1 PHE 63 HE1 PHE 63 111.010 -12.857 1.667 551 HE2 PHE 63 HE2 PHE 63 110.154 -10.873 -2.045 552 HZ PHE 63 HZ PHE 63 111.733 -11.405 -0.208 553 H GLN 64 HN GLN 64 104.060 -14.465 -1.230 554 HA GLN 64 HA GLN 64 103.522 -16.538 0.633 555 HB2 GLN 64 HB2 GLN 64 101.915 -14.733 0.073 556 HB3 GLN 64 HB1 GLN 64 101.718 -15.433 -1.534 557 HG2 GLN 64 HG2 GLN 64 100.849 -17.493 -0.591 558 HG3 GLN 64 HG1 GLN 64 101.188 -16.932 1.045 559 HE21 GLN 64 HE21 GLN 64 98.531 -17.667 0.189 560 HE22 GLN 64 HE22 GLN 64 97.575 -16.265 0.209 561 H ASP 65 HN ASP 65 103.839 -16.459 -2.876 562 HA ASP 65 HA ASP 65 102.854 -19.075 -3.375 563 HB2 ASP 65 HB2 ASP 65 102.972 -17.594 -5.227 564 HB3 ASP 65 HB1 ASP 65 104.669 -17.229 -4.923 565 H TYR 66 HN TYR 66 106.187 -17.819 -3.139 566 HA TYR 66 HA TYR 66 107.415 -20.379 -3.326 567 HB2 TYR 66 HB2 TYR 66 108.290 -17.616 -2.652 568 HB3 TYR 66 HB1 TYR 66 109.320 -18.942 -2.114 569 HD1 TYR 66 HD1 TYR 66 109.689 -20.852 -3.952 570 HD2 TYR 66 HD2 TYR 66 108.639 -16.773 -4.796 571 HE1 TYR 66 HE1 TYR 66 110.580 -21.099 -6.254 572 HE2 TYR 66 HE2 TYR 66 109.529 -17.020 -7.098 573 HH TYR 66 HH TYR 66 111.468 -18.788 -8.137 574 H TYR 67 HN TYR 67 106.379 -18.358 -0.622 575 HA TYR 67 HA TYR 67 107.568 -19.951 1.422 576 HB2 TYR 67 HB2 TYR 67 106.876 -17.590 1.748 577 HB3 TYR 67 HB1 TYR 67 105.189 -18.089 1.614 578 HD1 TYR 67 HD1 TYR 67 104.048 -18.510 3.595 579 HD2 TYR 67 HD2 TYR 67 108.298 -19.120 3.457 580 HE1 TYR 67 HE1 TYR 67 104.038 -19.126 5.998 581 HE2 TYR 67 HE2 TYR 67 108.288 -19.736 5.860 582 HH TYR 67 HH TYR 67 106.573 -19.101 7.911 583 H ASN 68 HN ASN 68 104.361 -19.874 -0.080 584 HA ASN 68 HA ASN 68 103.100 -21.699 1.665 585 HB2 ASN 68 HB2 ASN 68 101.805 -20.297 0.161 586 HB3 ASN 68 HB1 ASN 68 102.544 -21.065 -1.242 587 HD21 ASN 68 HD21 ASN 68 99.909 -21.329 -1.390 588 HD22 ASN 68 HD22 ASN 68 99.358 -22.840 -0.851 589 H THR 69 HN THR 69 104.930 -22.158 -1.332 590 HA THR 69 HA THR 69 104.421 -24.814 -1.876 591 HB THR 69 HB THR 69 106.680 -24.885 -2.887 592 HG1 THR 69 HG1 THR 69 107.853 -23.739 -1.398 593 HG21 THR 69 HG21 THR 69 105.647 -23.800 -4.560 594 HG22 THR 69 HG22 THR 69 106.149 -22.271 -3.836 595 HG23 THR 69 HG23 THR 69 104.590 -22.977 -3.413 596 H PHE 70 HN PHE 70 106.034 -23.475 0.844 597 HA PHE 70 HA PHE 70 107.331 -26.007 1.542 598 HB2 PHE 70 HB2 PHE 70 107.379 -23.245 2.760 599 HB3 PHE 70 HB1 PHE 70 108.107 -24.644 3.551 600 HD1 PHE 70 HD1 PHE 70 108.542 -22.086 1.066 601 HD2 PHE 70 HD2 PHE 70 109.819 -26.025 2.211 602 HE1 PHE 70 HE1 PHE 70 110.556 -21.849 -0.361 603 HE2 PHE 70 HE2 PHE 70 111.833 -25.787 0.783 604 HZ PHE 70 HZ PHE 70 112.201 -23.698 -0.502 605 H GLY 71 HN GLY 71 104.304 -25.267 1.561 606 HA2 GLY 71 HA2 GLY 71 102.470 -25.529 2.964 607 HA3 GLY 71 HA1 GLY 71 103.319 -27.018 3.371 608 HA PRO 72 HA PRO 72 104.653 -24.036 6.816 609 HB2 PRO 72 HB2 PRO 72 104.057 -21.384 6.640 610 HB3 PRO 72 HB1 PRO 72 105.495 -22.101 5.887 611 HG2 PRO 72 HG2 PRO 72 102.957 -21.222 4.655 612 HG3 PRO 72 HG1 PRO 72 104.596 -21.256 3.981 613 HD2 PRO 72 HD2 PRO 72 102.571 -23.144 3.440 614 HD3 PRO 72 HD1 PRO 72 104.303 -23.335 3.090 615 H GLU 73 HN GLU 73 103.541 -24.143 8.692 616 HA GLU 73 HA GLU 73 100.630 -23.921 8.620 617 HB2 GLU 73 HB2 GLU 73 102.593 -24.918 10.685 618 HB3 GLU 73 HB1 GLU 73 100.871 -24.740 11.023 619 HG2 GLU 73 HG2 GLU 73 100.349 -26.224 9.114 620 HG3 GLU 73 HG1 GLU 73 102.073 -26.419 8.803 621 H LYS 74 HN LYS 74 103.425 -22.268 9.939 622 HA LYS 74 HA LYS 74 102.128 -20.680 11.871 623 HB2 LYS 74 HB2 LYS 74 104.470 -19.667 10.290 624 HB3 LYS 74 HB1 LYS 74 104.120 -19.477 12.008 625 HG2 LYS 74 HG2 LYS 74 104.948 -22.037 10.609 626 HG3 LYS 74 HG1 LYS 74 105.920 -21.099 11.745 627 HD2 LYS 74 HD2 LYS 74 104.129 -21.480 13.476 628 HD3 LYS 74 HD1 LYS 74 103.343 -22.579 12.341 629 HE2 LYS 74 HE2 LYS 74 105.298 -24.021 12.299 630 HE3 LYS 74 HE1 LYS 74 106.205 -22.881 13.293 631 HZ1 LYS 74 HZ1 LYS 74 104.564 -23.214 15.060 632 HZ2 LYS 74 HZ2 LYS 74 105.351 -24.661 14.647 633 HZ3 LYS 74 HZ3 LYS 74 103.767 -24.368 14.106 634 H VAL 75 HN VAL 75 102.936 -19.998 8.468 635 HA VAL 75 HA VAL 75 102.373 -18.097 7.209 636 HB VAL 75 HB VAL 75 99.730 -19.325 8.029 637 HG11 VAL 75 HG11 VAL 75 100.495 -17.298 5.930 638 HG12 VAL 75 HG12 VAL 75 99.166 -17.235 7.086 639 HG13 VAL 75 HG13 VAL 75 99.090 -18.342 5.715 640 HG21 VAL 75 HG21 VAL 75 101.169 -19.733 5.419 641 HG22 VAL 75 HG22 VAL 75 99.998 -20.783 6.218 642 HG23 VAL 75 HG23 VAL 75 101.647 -20.671 6.834 643 HA PRO 76 HA PRO 76 101.762 -15.213 10.765 644 HB2 PRO 76 HB2 PRO 76 103.198 -13.508 8.787 645 HB3 PRO 76 HB1 PRO 76 103.503 -13.728 10.521 646 HG2 PRO 76 HG2 PRO 76 105.102 -14.819 8.718 647 HG3 PRO 76 HG1 PRO 76 104.678 -15.683 10.204 648 HD2 PRO 76 HD2 PRO 76 103.627 -16.115 7.424 649 HD3 PRO 76 HD1 PRO 76 103.977 -17.320 8.682 650 H VAL 77 HN VAL 77 99.878 -14.146 10.929 651 HA VAL 77 HA VAL 77 98.374 -13.440 8.554 652 HB VAL 77 HB VAL 77 97.726 -13.072 11.489 653 HG11 VAL 77 HG11 VAL 77 95.343 -13.094 10.325 654 HG12 VAL 77 HG12 VAL 77 96.261 -12.513 8.935 655 HG13 VAL 77 HG13 VAL 77 96.270 -11.598 10.443 656 HG21 VAL 77 HG21 VAL 77 97.048 -15.230 11.498 657 HG22 VAL 77 HG22 VAL 77 97.921 -15.416 9.977 658 HG23 VAL 77 HG23 VAL 77 96.199 -15.035 9.964 659 H THR 78 HN THR 78 100.427 -11.863 10.845 660 HA THR 78 HA THR 78 99.601 -9.260 10.918 661 HB THR 78 HB THR 78 101.879 -8.627 11.252 662 HG1 THR 78 HG1 THR 78 102.481 -11.030 9.874 663 HG21 THR 78 HG21 THR 78 102.489 -10.104 12.964 664 HG22 THR 78 HG22 THR 78 101.922 -11.518 12.076 665 HG23 THR 78 HG23 THR 78 100.759 -10.407 12.799 666 H ALA 79 HN ALA 79 100.959 -10.989 8.187 667 HA ALA 79 HA ALA 79 101.590 -8.854 6.496 668 HB1 ALA 79 HB1 ALA 79 100.806 -10.625 4.685 669 HB2 ALA 79 HB2 ALA 79 100.793 -11.702 6.082 670 HB3 ALA 79 HB3 ALA 79 102.280 -10.873 5.622 671 H PHE 80 HN PHE 80 98.494 -10.345 7.255 672 HA PHE 80 HA PHE 80 97.032 -9.005 5.183 673 HB2 PHE 80 HB2 PHE 80 96.271 -10.567 7.638 674 HB3 PHE 80 HB1 PHE 80 95.051 -9.705 6.701 675 HD1 PHE 80 HD1 PHE 80 94.204 -10.611 4.691 676 HD2 PHE 80 HD2 PHE 80 97.799 -12.216 6.406 677 HE1 PHE 80 HE1 PHE 80 94.170 -12.455 3.033 678 HE2 PHE 80 HE2 PHE 80 97.767 -14.060 4.748 679 HZ PHE 80 HZ PHE 80 95.952 -14.180 3.062 680 H SER 81 HN SER 81 97.791 -8.346 8.554 681 HA SER 81 HA SER 81 95.961 -6.187 8.886 682 HB2 SER 81 HB2 SER 81 97.321 -5.653 10.882 683 HB3 SER 81 HB1 SER 81 96.904 -7.363 10.809 684 HG SER 81 HG SER 81 99.298 -6.294 10.967 685 H TYR 82 HN TYR 82 99.319 -6.422 7.822 686 HA TYR 82 HA TYR 82 99.935 -3.671 7.834 687 HB2 TYR 82 HB2 TYR 82 101.060 -6.120 6.629 688 HB3 TYR 82 HB1 TYR 82 101.435 -4.625 5.773 689 HD1 TYR 82 HD1 TYR 82 102.057 -6.624 8.737 690 HD2 TYR 82 HD2 TYR 82 102.489 -2.707 7.027 691 HE1 TYR 82 HE1 TYR 82 103.745 -6.057 10.462 692 HE2 TYR 82 HE2 TYR 82 104.178 -2.141 8.753 693 HH TYR 82 HH TYR 82 104.800 -4.242 11.474 694 H TRP 83 HN TRP 83 98.704 -5.768 5.228 695 HA TRP 83 HA TRP 83 98.597 -3.798 3.224 696 HB2 TRP 83 HB2 TRP 83 98.398 -6.071 2.554 697 HB3 TRP 83 HB1 TRP 83 97.040 -6.350 3.645 698 HD1 TRP 83 HD1 TRP 83 97.824 -3.928 0.718 699 HE1 TRP 83 HE1 TRP 83 95.695 -3.701 -0.717 700 HE3 TRP 83 HE3 TRP 83 94.650 -6.929 3.365 701 HZ2 TRP 83 HZ2 TRP 83 93.001 -4.665 -0.740 702 HZ3 TRP 83 HZ3 TRP 83 92.311 -7.256 2.616 703 HH2 TRP 83 HH2 TRP 83 91.484 -6.129 0.568 704 H ASN 84 HN ASN 84 96.283 -4.730 5.722 705 HA ASN 84 HA ASN 84 94.070 -3.268 4.751 706 HB2 ASN 84 HB2 ASN 84 94.860 -4.321 7.453 707 HB3 ASN 84 HB1 ASN 84 93.425 -3.314 7.268 708 HD21 ASN 84 HD21 ASN 84 93.265 -6.090 8.033 709 HD22 ASN 84 HD22 ASN 84 92.493 -6.932 6.778 710 H LEU 85 HN LEU 85 96.503 -2.435 7.224 711 HA LEU 85 HA LEU 85 95.515 0.175 7.711 712 HB2 LEU 85 HB2 LEU 85 96.973 -0.925 9.314 713 HB3 LEU 85 HB1 LEU 85 98.276 -0.995 8.126 714 HG LEU 85 HG LEU 85 98.310 1.476 8.024 715 HD11 LEU 85 HD11 LEU 85 95.955 1.100 9.826 716 HD12 LEU 85 HD12 LEU 85 96.215 2.294 8.554 717 HD13 LEU 85 HD13 LEU 85 97.001 2.490 10.120 718 HD21 LEU 85 HD21 LEU 85 99.588 0.045 9.781 719 HD22 LEU 85 HD22 LEU 85 98.420 0.687 10.935 720 HD23 LEU 85 HD23 LEU 85 99.481 1.785 10.051 721 H ILE 86 HN ILE 86 98.231 -0.987 5.714 722 HA ILE 86 HA ILE 86 99.019 1.535 4.737 723 HB ILE 86 HB ILE 86 99.564 -1.276 4.111 724 HG12 ILE 86 HG12 ILE 86 101.372 1.079 3.628 725 HG13 ILE 86 HG11 ILE 86 100.972 0.612 5.281 726 HG21 ILE 86 HG21 ILE 86 100.545 -0.614 1.846 727 HG22 ILE 86 HG22 ILE 86 99.539 0.831 1.941 728 HG23 ILE 86 HG23 ILE 86 98.789 -0.764 1.909 729 HD11 ILE 86 HD11 ILE 86 101.977 -1.398 3.262 730 HD12 ILE 86 HD12 ILE 86 101.926 -1.547 5.018 731 HD13 ILE 86 HD13 ILE 86 103.080 -0.450 4.260 732 H LYS 87 HN LYS 87 96.682 -0.834 3.531 733 HA LYS 87 HA LYS 87 96.107 0.211 1.038 734 HB2 LYS 87 HB2 LYS 87 94.994 -1.775 1.497 735 HB3 LYS 87 HB1 LYS 87 94.461 -1.230 3.087 736 HG2 LYS 87 HG2 LYS 87 92.817 0.229 2.137 737 HG3 LYS 87 HG1 LYS 87 93.482 0.027 0.515 738 HD2 LYS 87 HD2 LYS 87 92.867 -2.371 0.570 739 HD3 LYS 87 HD1 LYS 87 92.174 -2.148 2.177 740 HE2 LYS 87 HE2 LYS 87 90.547 -0.552 1.294 741 HE3 LYS 87 HE1 LYS 87 91.274 -0.663 -0.310 742 HZ1 LYS 87 HZ1 LYS 87 89.841 -2.305 -0.668 743 HZ2 LYS 87 HZ2 LYS 87 89.420 -2.424 0.974 744 HZ3 LYS 87 HZ3 LYS 87 90.780 -3.252 0.379 745 H GLU 88 HN GLU 88 94.662 1.127 4.163 746 HA GLU 88 HA GLU 88 93.160 3.287 2.930 747 HB2 GLU 88 HB2 GLU 88 91.987 3.398 4.893 748 HB3 GLU 88 HB1 GLU 88 92.602 1.751 5.051 749 HG2 GLU 88 HG2 GLU 88 93.201 2.679 7.108 750 HG3 GLU 88 HG1 GLU 88 94.670 2.916 6.162 751 H LEU 89 HN LEU 89 96.248 2.838 4.318 752 HA LEU 89 HA LEU 89 96.700 5.333 5.536 753 HB2 LEU 89 HB2 LEU 89 98.181 3.314 5.719 754 HB3 LEU 89 HB1 LEU 89 98.747 3.646 4.083 755 HG LEU 89 HG LEU 89 99.455 5.917 4.822 756 HD11 LEU 89 HD11 LEU 89 98.302 6.599 6.676 757 HD12 LEU 89 HD12 LEU 89 99.648 5.844 7.526 758 HD13 LEU 89 HD13 LEU 89 98.139 4.960 7.305 759 HD21 LEU 89 HD21 LEU 89 100.564 3.583 6.417 760 HD22 LEU 89 HD22 LEU 89 101.375 5.137 6.218 761 HD23 LEU 89 HD23 LEU 89 101.097 4.102 4.817 762 H ILE 90 HN ILE 90 97.176 4.243 2.191 763 HA ILE 90 HA ILE 90 98.387 6.589 1.211 764 HB ILE 90 HB ILE 90 96.693 4.500 -0.173 765 HG12 ILE 90 HG12 ILE 90 99.681 4.982 0.057 766 HG13 ILE 90 HG11 ILE 90 98.777 3.630 0.738 767 HG21 ILE 90 HG21 ILE 90 97.665 5.417 -2.266 768 HG22 ILE 90 HG22 ILE 90 98.401 6.723 -1.336 769 HG23 ILE 90 HG23 ILE 90 96.644 6.599 -1.447 770 HD11 ILE 90 HD11 ILE 90 99.800 2.839 -1.293 771 HD12 ILE 90 HD12 ILE 90 99.229 4.244 -2.193 772 HD13 ILE 90 HD13 ILE 90 98.079 3.034 -1.623 773 H ASP 91 HN ASP 91 94.977 5.593 1.338 774 HA ASP 91 HA ASP 91 93.920 7.859 0.022 775 HB2 ASP 91 HB2 ASP 91 92.709 5.944 2.022 776 HB3 ASP 91 HB1 ASP 91 91.786 7.206 1.206 777 H LYS 92 HN LYS 92 95.408 7.562 3.039 778 HA LYS 92 HA LYS 92 93.954 9.405 4.605 779 HB2 LYS 92 HB2 LYS 92 95.838 7.796 5.316 780 HB3 LYS 92 HB1 LYS 92 96.941 9.062 4.773 781 HG2 LYS 92 HG2 LYS 92 95.919 10.665 6.304 782 HG3 LYS 92 HG1 LYS 92 94.718 9.469 6.794 783 HD2 LYS 92 HD2 LYS 92 96.532 8.015 7.652 784 HD3 LYS 92 HD1 LYS 92 97.715 9.243 7.200 785 HE2 LYS 92 HE2 LYS 92 96.681 10.849 8.728 786 HE3 LYS 92 HE1 LYS 92 95.420 9.685 9.133 787 HZ1 LYS 92 HZ1 LYS 92 96.813 9.172 10.797 788 HZ2 LYS 92 HZ2 LYS 92 98.178 9.813 10.014 789 HZ3 LYS 92 HZ3 LYS 92 97.620 8.257 9.618 790 H LYS 93 HN LYS 93 96.655 9.832 2.346 791 HA LYS 93 HA LYS 93 95.939 12.662 2.094 792 HB2 LYS 93 HB2 LYS 93 98.662 11.642 2.911 793 HB3 LYS 93 HB1 LYS 93 98.409 13.244 2.219 794 HG2 LYS 93 HG2 LYS 93 96.801 13.767 4.024 795 HG3 LYS 93 HG1 LYS 93 97.080 12.173 4.725 796 HD2 LYS 93 HD2 LYS 93 99.482 12.726 4.997 797 HD3 LYS 93 HD1 LYS 93 99.172 14.335 4.345 798 HE2 LYS 93 HE2 LYS 93 97.630 14.816 6.186 799 HE3 LYS 93 HE1 LYS 93 97.855 13.187 6.824 800 HZ1 LYS 93 HZ1 LYS 93 99.668 13.855 7.874 801 HZ2 LYS 93 HZ2 LYS 93 99.393 15.443 7.338 802 HZ3 LYS 93 HZ3 LYS 93 100.367 14.391 6.425 803 H GLU 94 HN GLU 94 96.734 13.640 0.160 804 HA GLU 94 HA GLU 94 96.794 11.870 -2.077 805 HB2 GLU 94 HB2 GLU 94 97.343 14.836 -1.837 806 HB3 GLU 94 HB1 GLU 94 97.263 13.969 -3.371 807 HG2 GLU 94 HG2 GLU 94 95.027 13.980 -1.327 808 HG3 GLU 94 HG1 GLU 94 95.099 15.076 -2.706 809 H VAL 95 HN VAL 95 98.941 11.480 -0.103 810 HA VAL 95 HA VAL 95 101.270 11.410 0.051 811 HB VAL 95 HB VAL 95 102.191 10.036 -1.769 812 HG11 VAL 95 HG11 VAL 95 99.493 8.859 -1.544 813 HG12 VAL 95 HG12 VAL 95 100.210 9.343 -0.007 814 HG13 VAL 95 HG13 VAL 95 101.053 8.199 -1.052 815 HG21 VAL 95 HG21 VAL 95 100.923 11.321 -3.570 816 HG22 VAL 95 HG22 VAL 95 99.502 10.376 -3.124 817 HG23 VAL 95 HG23 VAL 95 100.935 9.567 -3.761 818 H ASN 96 HN ASN 96 103.097 11.459 -2.186 819 HA ASN 96 HA ASN 96 102.895 14.118 -3.345 820 HB2 ASN 96 HB2 ASN 96 104.451 15.194 -2.099 821 HB3 ASN 96 HB1 ASN 96 104.039 13.993 -0.876 822 HD21 ASN 96 HD21 ASN 96 106.708 15.358 -1.573 823 HD22 ASN 96 HD22 ASN 96 107.788 14.063 -1.773 824 HA PRO 97 HA PRO 97 105.388 12.769 -6.641 825 HB2 PRO 97 HB2 PRO 97 107.706 14.446 -5.785 826 HB3 PRO 97 HB1 PRO 97 106.856 14.405 -7.341 827 HG2 PRO 97 HG2 PRO 97 106.486 16.404 -5.647 828 HG3 PRO 97 HG1 PRO 97 105.141 15.748 -6.595 829 HD2 PRO 97 HD2 PRO 97 105.779 15.334 -3.692 830 HD3 PRO 97 HD1 PRO 97 104.182 15.452 -4.460 831 H GLN 98 HN GLN 98 107.125 12.866 -3.571 832 HA GLN 98 HA GLN 98 109.379 11.436 -3.930 833 HB2 GLN 98 HB2 GLN 98 109.296 10.865 -1.695 834 HB3 GLN 98 HB1 GLN 98 108.091 12.152 -1.733 835 HG2 GLN 98 HG2 GLN 98 106.425 10.203 -2.292 836 HG3 GLN 98 HG1 GLN 98 107.677 9.180 -1.588 837 HE21 GLN 98 HE21 GLN 98 106.685 8.679 0.424 838 HE22 GLN 98 HE22 GLN 98 106.252 9.857 1.567 839 H VAL 99 HN VAL 99 106.185 10.310 -4.550 840 HA VAL 99 HA VAL 99 106.574 7.522 -4.385 841 HB VAL 99 HB VAL 99 104.749 9.133 -6.183 842 HG11 VAL 99 HG11 VAL 99 105.093 6.193 -5.699 843 HG12 VAL 99 HG12 VAL 99 104.735 7.041 -7.203 844 HG13 VAL 99 HG13 VAL 99 103.474 6.827 -5.988 845 HG21 VAL 99 HG21 VAL 99 104.744 8.907 -3.435 846 HG22 VAL 99 HG22 VAL 99 103.664 7.600 -3.917 847 HG23 VAL 99 HG23 VAL 99 103.322 9.256 -4.418 848 H MET 100 HN MET 100 107.031 9.809 -7.065 849 HA MET 100 HA MET 100 107.801 7.813 -8.959 850 HB2 MET 100 HB2 MET 100 108.159 10.815 -8.906 851 HB3 MET 100 HB1 MET 100 108.627 9.800 -10.271 852 HG2 MET 100 HG2 MET 100 106.303 8.967 -10.441 853 HG3 MET 100 HG1 MET 100 105.839 10.008 -9.096 854 HE1 MET 100 HE1 MET 100 105.909 12.287 -8.942 855 HE2 MET 100 HE2 MET 100 105.867 13.481 -10.237 856 HE3 MET 100 HE3 MET 100 107.414 12.850 -9.679 857 H ALA 101 HN ALA 101 109.563 10.001 -6.805 858 HA ALA 101 HA ALA 101 112.156 9.529 -7.774 859 HB1 ALA 101 HB1 ALA 101 112.487 9.918 -5.056 860 HB2 ALA 101 HB2 ALA 101 110.944 10.705 -5.389 861 HB3 ALA 101 HB3 ALA 101 112.390 11.192 -6.273 862 H ALA 102 HN ALA 102 110.039 7.571 -5.858 863 HA ALA 102 HA ALA 102 112.017 5.887 -4.678 864 HB1 ALA 102 HB1 ALA 102 110.229 5.065 -3.605 865 HB2 ALA 102 HB2 ALA 102 109.514 4.523 -5.124 866 HB3 ALA 102 HB3 ALA 102 109.218 6.163 -4.545 867 H VAL 103 HN VAL 103 110.093 5.725 -7.648 868 HA VAL 103 HA VAL 103 110.769 3.168 -8.515 869 HB VAL 103 HB VAL 103 110.229 5.709 -10.057 870 HG11 VAL 103 HG11 VAL 103 111.355 4.529 -11.700 871 HG12 VAL 103 HG12 VAL 103 109.746 3.830 -11.882 872 HG13 VAL 103 HG13 VAL 103 110.986 2.964 -10.975 873 HG21 VAL 103 HG21 VAL 103 108.048 4.679 -10.415 874 HG22 VAL 103 HG22 VAL 103 108.394 4.692 -8.686 875 HG23 VAL 103 HG23 VAL 103 108.578 3.202 -9.610 876 H ALA 104 HN ALA 104 112.548 6.211 -8.840 877 HA ALA 104 HA ALA 104 114.589 5.423 -10.545 878 HB1 ALA 104 HB1 ALA 104 114.568 7.324 -8.204 879 HB2 ALA 104 HB2 ALA 104 114.501 7.709 -9.924 880 HB3 ALA 104 HB3 ALA 104 115.995 7.096 -9.215 881 H GLN 105 HN GLN 105 113.799 4.095 -7.566 882 HA GLN 105 HA GLN 105 114.847 2.634 -6.135 883 HB2 GLN 105 HB2 GLN 105 116.306 2.168 -8.729 884 HB3 GLN 105 HB1 GLN 105 116.718 1.266 -7.270 885 HG2 GLN 105 HG2 GLN 105 114.495 0.373 -7.093 886 HG3 GLN 105 HG1 GLN 105 113.898 1.454 -8.351 887 HE21 GLN 105 HE21 GLN 105 113.265 -0.920 -9.156 888 HE22 GLN 105 HE22 GLN 105 114.396 -1.647 -10.193 889 H THR 106 HN THR 106 117.934 2.608 -7.488 890 HA THR 106 HA THR 106 118.898 4.670 -5.601 891 HB THR 106 HB THR 106 120.153 1.960 -6.103 892 HG1 THR 106 HG1 THR 106 118.177 2.580 -4.575 893 HG21 THR 106 HG21 THR 106 121.953 3.374 -5.644 894 HG22 THR 106 HG22 THR 106 121.503 2.826 -4.030 895 HG23 THR 106 HG23 THR 106 120.994 4.418 -4.594 896 H GLU 107 HN GLU 107 120.142 6.157 -6.536 897 HA GLU 107 HA GLU 107 121.673 5.429 -8.948 898 HB2 GLU 107 HB2 GLU 107 119.902 7.861 -8.617 899 HB3 GLU 107 HB1 GLU 107 121.053 7.638 -9.935 900 HG2 GLU 107 HG2 GLU 107 119.891 5.567 -10.605 901 HG3 GLU 107 HG1 GLU 107 118.740 5.786 -9.289 902 H GLU 108 HN GLU 108 123.608 6.539 -9.222 903 HA GLU 108 HA GLU 108 124.721 7.691 -6.806 904 HB2 GLU 108 HB2 GLU 108 125.900 7.156 -9.542 905 HB3 GLU 108 HB1 GLU 108 126.812 7.815 -8.183 906 HG2 GLU 108 HG2 GLU 108 126.344 5.827 -6.851 907 HG3 GLU 108 HG1 GLU 108 125.315 5.180 -8.127 908 H ILE 109 HN ILE 109 124.620 9.781 -6.330 909 HA ILE 109 HA ILE 109 123.451 11.773 -7.829 910 HB ILE 109 HB ILE 109 124.664 13.376 -6.382 911 HG12 ILE 109 HG12 ILE 109 126.084 10.939 -5.276 912 HG13 ILE 109 HG11 ILE 109 126.823 12.028 -6.449 913 HG21 ILE 109 HG21 ILE 109 122.808 12.607 -5.240 914 HG22 ILE 109 HG22 ILE 109 124.072 12.017 -4.161 915 HG23 ILE 109 HG23 ILE 109 123.324 10.923 -5.324 916 HD11 ILE 109 HD11 ILE 109 126.396 13.930 -4.877 917 HD12 ILE 109 HD12 ILE 109 127.494 12.719 -4.215 918 HD13 ILE 109 HD13 ILE 109 125.812 12.765 -3.687 919 H LEU 110 HN LEU 110 126.611 10.409 -8.170 920 HA LEU 110 HA LEU 110 127.868 12.550 -9.553 921 HB2 LEU 110 HB2 LEU 110 128.396 9.570 -9.684 922 HB3 LEU 110 HB1 LEU 110 129.471 10.826 -10.303 923 HG LEU 110 HG LEU 110 128.580 10.565 -7.415 924 HD11 LEU 110 HD11 LEU 110 130.651 9.591 -6.936 925 HD12 LEU 110 HD12 LEU 110 131.390 10.198 -8.419 926 HD13 LEU 110 HD13 LEU 110 130.255 8.849 -8.486 927 HD21 LEU 110 HD21 LEU 110 129.079 12.810 -7.577 928 HD22 LEU 110 HD22 LEU 110 130.133 12.583 -8.973 929 HD23 LEU 110 HD23 LEU 110 130.716 12.192 -7.355 930 H LYS 111 HN LYS 111 125.896 9.810 -10.594 931 HA LYS 111 HA LYS 111 126.308 10.103 -13.378 932 HB2 LYS 111 HB2 LYS 111 125.319 8.089 -12.272 933 HB3 LYS 111 HB1 LYS 111 123.847 9.021 -11.988 934 HG2 LYS 111 HG2 LYS 111 123.572 9.375 -14.396 935 HG3 LYS 111 HG1 LYS 111 125.082 8.518 -14.713 936 HD2 LYS 111 HD2 LYS 111 124.127 6.473 -13.698 937 HD3 LYS 111 HD1 LYS 111 122.610 7.330 -13.417 938 HE2 LYS 111 HE2 LYS 111 122.314 7.674 -15.816 939 HE3 LYS 111 HE1 LYS 111 123.879 6.928 -16.141 940 HZ1 LYS 111 HZ1 LYS 111 121.981 5.406 -16.448 941 HZ2 LYS 111 HZ2 LYS 111 121.615 5.558 -14.795 942 HZ3 LYS 111 HZ3 LYS 111 123.085 4.858 -15.283 943 H SER 112 HN SER 112 124.161 11.678 -11.102 944 HA SER 112 HA SER 112 122.321 12.802 -12.908 945 HB2 SER 112 HB2 SER 112 121.947 12.822 -10.493 946 HB3 SER 112 HB1 SER 112 123.334 13.885 -10.268 947 HG SER 112 HG SER 112 120.805 14.505 -10.911 948 H ASN 113 HN ASN 113 125.382 14.083 -11.621 949 HA ASN 113 HA ASN 113 125.267 16.540 -13.050 950 HB2 ASN 113 HB2 ASN 113 126.677 16.266 -11.069 951 HB3 ASN 113 HB1 ASN 113 127.644 15.055 -11.908 952 HD21 ASN 113 HD21 ASN 113 129.608 16.337 -11.869 953 HD22 ASN 113 HD22 ASN 113 129.769 17.753 -12.790 954 H SER 114 HN SER 114 126.850 13.427 -13.692 955 HA SER 114 HA SER 114 126.695 13.817 -16.527 956 HB2 SER 114 HB2 SER 114 129.144 13.791 -16.940 957 HB3 SER 114 HB1 SER 114 128.616 15.259 -16.121 958 HG SER 114 HG SER 114 129.659 12.943 -14.844 959 H GLN 115 HN GLN 115 127.382 11.949 -17.712 960 HA GLN 115 HA GLN 115 127.398 9.524 -16.048 961 HB2 GLN 115 HB2 GLN 115 126.995 9.743 -19.037 962 HB3 GLN 115 HB1 GLN 115 126.660 8.346 -18.013 963 HG2 GLN 115 HG2 GLN 115 124.956 9.665 -16.790 964 HG3 GLN 115 HG1 GLN 115 125.271 11.038 -17.850 965 HE21 GLN 115 HE21 GLN 115 122.741 10.439 -18.120 966 HE22 GLN 115 HE22 GLN 115 122.405 9.430 -19.443 967 H THR 116 HN THR 116 129.792 11.080 -16.250 968 HA THR 116 HA THR 116 131.589 10.114 -18.201 969 HB THR 116 HB THR 116 132.333 10.974 -15.403 970 HG1 THR 116 HG1 THR 116 131.485 12.438 -17.654 971 HG21 THR 116 HG21 THR 116 133.704 11.018 -18.100 972 HG22 THR 116 HG22 THR 116 134.207 10.144 -16.653 973 HG23 THR 116 HG23 THR 116 134.305 11.905 -16.699 974 H ASP 117 HN ASP 117 130.850 9.000 -14.910 975 HA ASP 117 HA ASP 117 132.799 6.981 -14.750 976 HB2 ASP 117 HB2 ASP 117 131.498 7.803 -12.813 977 HB3 ASP 117 HB1 ASP 117 130.056 7.033 -13.473 978 H LEU 118 HN LEU 118 129.407 6.845 -15.821 979 HA LEU 118 HA LEU 118 129.790 4.082 -16.720 980 HB2 LEU 118 HB2 LEU 118 127.313 5.824 -16.694 981 HB3 LEU 118 HB1 LEU 118 127.362 4.114 -17.124 982 HG LEU 118 HG LEU 118 128.208 5.249 -14.442 983 HD11 LEU 118 HD11 LEU 118 125.687 5.237 -15.144 984 HD12 LEU 118 HD12 LEU 118 126.138 4.567 -13.576 985 HD13 LEU 118 HD13 LEU 118 125.815 3.491 -14.935 986 HD21 LEU 118 HD21 LEU 118 128.271 2.550 -15.719 987 HD22 LEU 118 HD22 LEU 118 127.839 2.629 -14.011 988 HD23 LEU 118 HD23 LEU 118 129.388 3.268 -14.559 989 H GLU 119 HN GLU 119 130.473 7.012 -17.944 990 HA GLU 119 HA GLU 119 130.523 7.961 -20.058 991 HB2 GLU 119 HB2 GLU 119 131.201 5.062 -20.602 992 HB3 GLU 119 HB1 GLU 119 131.452 6.372 -21.755 993 HG2 GLU 119 HG2 GLU 119 132.947 7.510 -20.194 994 HG3 GLU 119 HG1 GLU 119 132.642 6.279 -18.969 995 H HIS 120 HN HIS 120 129.970 6.900 -22.571 996 HA HIS 120 HA HIS 120 127.170 7.290 -22.750 997 HB2 HIS 120 HB2 HIS 120 129.271 6.345 -24.688 998 HB3 HIS 120 HB1 HIS 120 127.566 6.389 -25.138 999 HD1 HIS 120 HD1 HIS 120 126.400 8.746 -25.177 1000 HD2 HIS 120 HD2 HIS 120 130.510 8.874 -24.493 1001 HE1 HIS 120 HE1 HIS 120 127.105 11.157 -25.500 1002 HE2 HIS 120 HE2 HIS 120 129.609 11.252 -25.086 1003 H HIS 121 HN HIS 121 129.199 4.381 -22.918 1004 HA HIS 121 HA HIS 121 126.859 2.667 -23.199 1005 HB2 HIS 121 HB2 HIS 121 129.829 2.136 -23.081 1006 HB3 HIS 121 HB1 HIS 121 128.633 0.840 -23.104 1007 HD1 HIS 121 HD1 HIS 121 129.543 3.924 -25.160 1008 HD2 HIS 121 HD2 HIS 121 127.806 0.167 -25.656 1009 HE1 HIS 121 HE1 HIS 121 129.127 3.649 -27.644 1010 HE2 HIS 121 HE2 HIS 121 128.068 1.363 -27.962 1011 H HIS 122 HN HIS 122 125.740 1.985 -21.499 1012 HA HIS 122 HA HIS 122 126.471 2.456 -18.819 1013 HB2 HIS 122 HB2 HIS 122 124.434 0.591 -20.049 1014 HB3 HIS 122 HB1 HIS 122 124.596 0.836 -18.309 1015 HD1 HIS 122 HD1 HIS 122 124.655 3.609 -17.704 1016 HD2 HIS 122 HD2 HIS 122 122.613 2.358 -21.116 1017 HE1 HIS 122 HE1 HIS 122 123.058 5.479 -18.310 1018 HE2 HIS 122 HE2 HIS 122 121.805 4.730 -20.387 1019 H HIS 123 HN HIS 123 126.646 -0.477 -20.815 1020 HA HIS 123 HA HIS 123 128.340 -1.702 -18.721 1021 HB2 HIS 123 HB2 HIS 123 126.047 -2.760 -19.416 1022 HB3 HIS 123 HB1 HIS 123 126.946 -3.314 -20.829 1023 HD1 HIS 123 HD1 HIS 123 127.188 -3.425 -17.028 1024 HD2 HIS 123 HD2 HIS 123 128.490 -5.570 -20.358 1025 HE1 HIS 123 HE1 HIS 123 128.331 -5.504 -16.139 1026 HE2 HIS 123 HE2 HIS 123 129.130 -6.822 -18.157 1027 H HIS 124 HN HIS 124 130.404 -1.999 -19.243 1028 HA HIS 124 HA HIS 124 131.373 -1.391 -21.879 1029 HB2 HIS 124 HB2 HIS 124 132.747 -2.460 -19.405 1030 HB3 HIS 124 HB1 HIS 124 133.589 -2.044 -20.897 1031 HD1 HIS 124 HD1 HIS 124 132.098 -0.560 -17.860 1032 HD2 HIS 124 HD2 HIS 124 133.410 0.797 -21.578 1033 HE1 HIS 124 HE1 HIS 124 132.305 1.958 -17.672 1034 HE2 HIS 124 HE2 HIS 124 133.104 2.799 -19.931 1035 H HIS 125 HN HIS 125 132.354 -2.780 -23.358 1036 HA HIS 125 HA HIS 125 132.507 -4.708 -24.601 1037 HB2 HIS 125 HB2 HIS 125 132.897 -5.895 -21.843 1038 HB3 HIS 125 HB1 HIS 125 133.260 -6.715 -23.362 1039 HD1 HIS 125 HD1 HIS 125 134.891 -5.055 -25.001 1040 HD2 HIS 125 HD2 HIS 125 135.144 -4.648 -20.859 1041 HE1 HIS 125 HE1 HIS 125 137.104 -3.917 -24.526 1042 HE2 HIS 125 HE2 HIS 125 137.273 -3.663 -22.005 Start of MODEL 6 1 H21 MYR 1 1H2 MYR 1 115.942 8.714 -0.699 2 H22 MYR 1 2H2 MYR 1 115.714 9.612 0.638 3 H31 MYR 1 1H3 MYR 1 114.093 10.836 -0.297 4 H32 MYR 1 2H3 MYR 1 114.724 10.719 -1.792 5 H41 MYR 1 1H4 MYR 1 113.369 9.093 -2.280 6 H42 MYR 1 2H4 MYR 1 113.907 8.220 -1.017 7 H51 MYR 1 1H5 MYR 1 112.078 10.254 -0.337 8 H52 MYR 1 2H5 MYR 1 111.436 9.027 -1.198 9 H61 MYR 1 1H6 MYR 1 112.422 7.515 0.460 10 H62 MYR 1 2H6 MYR 1 112.737 8.829 1.368 11 H71 MYR 1 1H7 MYR 1 110.601 9.127 1.927 12 H72 MYR 1 2H7 MYR 1 110.041 8.403 0.578 13 H81 MYR 1 1H8 MYR 1 110.514 6.287 1.488 14 H82 MYR 1 2H8 MYR 1 111.144 6.977 2.822 15 H91 MYR 1 1H9 MYR 1 109.128 7.464 3.682 16 H92 MYR 1 2H9 MYR 1 108.402 7.508 2.225 17 H101 MYR 1 1H10 MYR 1 107.845 5.394 2.319 18 H102 MYR 1 2H10 MYR 1 109.315 4.944 2.856 19 H111 MYR 1 1H11 MYR 1 108.620 4.804 4.937 20 H112 MYR 1 2H11 MYR 1 107.839 6.230 4.858 21 H121 MYR 1 1H12 MYR 1 106.323 4.415 5.261 22 H122 MYR 1 2H12 MYR 1 105.957 5.209 3.889 23 H131 MYR 1 1H13 MYR 1 106.206 3.391 2.708 24 H132 MYR 1 2H13 MYR 1 107.705 3.158 3.297 25 H141 MYR 1 1H14 MYR 1 105.593 1.597 3.805 26 H142 MYR 1 2H14 MYR 1 107.025 1.544 4.599 27 H143 MYR 1 3H14 MYR 1 105.802 2.453 5.186 28 H GLY 2 HN GLY 2 117.958 9.096 0.376 29 HA2 GLY 2 HA2 GLY 2 119.712 10.781 0.713 30 HA3 GLY 2 HA1 GLY 2 118.481 12.011 0.457 31 H GLN 3 HN GLN 3 118.878 12.987 2.470 32 HA GLN 3 HA GLN 3 119.023 11.749 4.953 33 HB2 GLN 3 HB2 GLN 3 117.927 14.449 4.159 34 HB3 GLN 3 HB1 GLN 3 118.122 13.946 5.838 35 HG2 GLN 3 HG2 GLN 3 120.523 13.561 5.453 36 HG3 GLN 3 HG1 GLN 3 120.336 14.045 3.768 37 HE21 GLN 3 HE21 GLN 3 122.090 15.677 4.747 38 HE22 GLN 3 HE22 GLN 3 121.455 17.139 5.329 39 H GLU 4 HN GLU 4 116.275 12.315 2.908 40 HA GLU 4 HA GLU 4 114.141 12.248 4.655 41 HB2 GLU 4 HB2 GLU 4 114.416 10.955 1.936 42 HB3 GLU 4 HB1 GLU 4 112.887 11.119 2.801 43 HG2 GLU 4 HG2 GLU 4 113.118 13.547 2.835 44 HG3 GLU 4 HG1 GLU 4 114.706 13.434 2.077 45 H LEU 5 HN LEU 5 116.443 9.792 4.013 46 HA LEU 5 HA LEU 5 115.167 7.415 4.420 47 HB2 LEU 5 HB2 LEU 5 117.631 7.700 4.092 48 HB3 LEU 5 HB1 LEU 5 117.758 8.208 5.774 49 HG LEU 5 HG LEU 5 116.745 6.029 6.470 50 HD11 LEU 5 HD11 LEU 5 116.661 5.708 3.500 51 HD12 LEU 5 HD12 LEU 5 115.523 5.153 4.720 52 HD13 LEU 5 HD13 LEU 5 117.029 4.282 4.466 53 HD21 LEU 5 HD21 LEU 5 119.062 5.970 6.661 54 HD22 LEU 5 HD22 LEU 5 119.312 6.203 4.930 55 HD23 LEU 5 HD23 LEU 5 118.782 4.636 5.541 56 H SER 6 HN SER 6 115.704 9.958 6.738 57 HA SER 6 HA SER 6 115.308 8.615 9.152 58 HB2 SER 6 HB2 SER 6 115.855 11.113 8.696 59 HB3 SER 6 HB1 SER 6 114.107 11.325 8.648 60 HG SER 6 HG SER 6 115.794 10.664 10.764 61 H GLN 7 HN GLN 7 113.029 9.500 6.661 62 HA GLN 7 HA GLN 7 110.628 9.362 8.074 63 HB2 GLN 7 HB2 GLN 7 110.822 10.120 5.718 64 HB3 GLN 7 HB1 GLN 7 111.140 8.455 5.229 65 HG2 GLN 7 HG2 GLN 7 108.770 8.992 4.896 66 HG3 GLN 7 HG1 GLN 7 108.941 7.775 6.155 67 HE21 GLN 7 HE21 GLN 7 107.111 8.315 7.443 68 HE22 GLN 7 HE22 GLN 7 106.919 9.823 8.197 69 H HIS 8 HN HIS 8 112.459 6.775 6.444 70 HA HIS 8 HA HIS 8 110.685 4.665 6.981 71 HB2 HIS 8 HB2 HIS 8 113.668 4.758 6.563 72 HB3 HIS 8 HB1 HIS 8 112.799 3.243 6.801 73 HD1 HIS 8 HD1 HIS 8 110.904 2.681 5.006 74 HD2 HIS 8 HD2 HIS 8 113.413 5.851 3.994 75 HE1 HIS 8 HE1 HIS 8 110.565 3.100 2.532 76 HE2 HIS 8 HE2 HIS 8 112.090 5.030 1.899 77 H GLU 9 HN GLU 9 113.510 5.835 8.812 78 HA GLU 9 HA GLU 9 113.522 4.013 10.904 79 HB2 GLU 9 HB2 GLU 9 115.190 5.826 10.604 80 HB3 GLU 9 HB1 GLU 9 113.983 6.998 11.136 81 HG2 GLU 9 HG2 GLU 9 113.800 5.846 13.304 82 HG3 GLU 9 HG1 GLU 9 114.979 4.648 12.772 83 H ARG 10 HN ARG 10 111.358 6.727 10.349 84 HA ARG 10 HA ARG 10 110.079 6.512 12.938 85 HB2 ARG 10 HB2 ARG 10 110.130 8.678 11.895 86 HB3 ARG 10 HB1 ARG 10 109.349 8.057 10.447 87 HG2 ARG 10 HG2 ARG 10 107.309 7.651 11.641 88 HG3 ARG 10 HG1 ARG 10 108.093 7.956 13.191 89 HD2 ARG 10 HD2 ARG 10 106.792 9.912 12.535 90 HD3 ARG 10 HD1 ARG 10 108.510 10.297 12.496 91 HE ARG 10 HE ARG 10 107.653 9.407 9.937 92 HH11 ARG 10 HH11 ARG 10 107.374 10.973 8.315 93 HH12 ARG 10 HH12 ARG 10 107.191 12.639 8.749 94 HH21 ARG 10 HH21 ARG 10 107.444 12.053 12.157 95 HH22 ARG 10 HH22 ARG 10 107.230 13.251 10.925 96 H TYR 11 HN TYR 11 109.157 5.797 9.579 97 HA TYR 11 HA TYR 11 106.625 4.755 10.017 98 HB2 TYR 11 HB2 TYR 11 107.446 5.094 7.766 99 HB3 TYR 11 HB1 TYR 11 108.728 3.908 8.008 100 HD1 TYR 11 HD1 TYR 11 108.206 1.501 8.180 101 HD2 TYR 11 HD2 TYR 11 105.156 4.412 7.373 102 HE1 TYR 11 HE1 TYR 11 106.671 -0.308 7.461 103 HE2 TYR 11 HE2 TYR 11 103.617 2.602 6.661 104 HH TYR 11 HH TYR 11 103.315 0.402 6.505 105 H VAL 12 HN VAL 12 109.775 3.143 10.258 106 HA VAL 12 HA VAL 12 108.803 0.525 10.693 107 HB VAL 12 HB VAL 12 111.375 1.954 11.289 108 HG11 VAL 12 HG11 VAL 12 111.299 0.597 13.221 109 HG12 VAL 12 HG12 VAL 12 112.173 -0.394 12.055 110 HG13 VAL 12 HG13 VAL 12 110.471 -0.713 12.377 111 HG21 VAL 12 HG21 VAL 12 110.493 0.760 9.065 112 HG22 VAL 12 HG22 VAL 12 111.102 -0.675 9.891 113 HG23 VAL 12 HG23 VAL 12 112.189 0.672 9.543 114 H GLU 13 HN GLU 13 110.095 2.817 13.120 115 HA GLU 13 HA GLU 13 109.178 1.258 15.317 116 HB2 GLU 13 HB2 GLU 13 111.074 2.854 15.452 117 HB3 GLU 13 HB1 GLU 13 109.937 4.188 15.257 118 HG2 GLU 13 HG2 GLU 13 108.770 3.529 17.309 119 HG3 GLU 13 HG1 GLU 13 109.838 2.139 17.491 120 H GLN 14 HN GLN 14 107.950 4.188 13.774 121 HA GLN 14 HA GLN 14 105.788 4.594 15.541 122 HB2 GLN 14 HB2 GLN 14 106.710 6.307 13.959 123 HB3 GLN 14 HB1 GLN 14 105.936 5.437 12.636 124 HG2 GLN 14 HG2 GLN 14 104.477 7.256 13.357 125 HG3 GLN 14 HG1 GLN 14 103.743 5.709 13.812 126 HE21 GLN 14 HE21 GLN 14 102.609 6.428 15.696 127 HE22 GLN 14 HE22 GLN 14 103.398 7.043 17.066 128 H LEU 15 HN LEU 15 105.353 3.814 12.112 129 HA LEU 15 HA LEU 15 102.859 2.910 12.082 130 HB2 LEU 15 HB2 LEU 15 104.739 2.768 10.236 131 HB3 LEU 15 HB1 LEU 15 104.891 1.100 10.806 132 HG LEU 15 HG LEU 15 103.322 1.234 8.912 133 HD11 LEU 15 HD11 LEU 15 102.965 -0.242 11.048 134 HD12 LEU 15 HD12 LEU 15 101.704 -0.132 9.839 135 HD13 LEU 15 HD13 LEU 15 101.587 0.827 11.307 136 HD21 LEU 15 HD21 LEU 15 101.275 2.696 10.462 137 HD22 LEU 15 HD22 LEU 15 101.663 2.794 8.748 138 HD23 LEU 15 HD23 LEU 15 102.634 3.680 9.919 139 H LYS 16 HN LYS 16 105.592 0.918 13.163 140 HA LYS 16 HA LYS 16 104.215 -1.439 13.705 141 HB2 LYS 16 HB2 LYS 16 106.663 -0.156 14.827 142 HB3 LYS 16 HB1 LYS 16 106.012 -1.575 15.635 143 HG2 LYS 16 HG2 LYS 16 106.075 -2.817 13.495 144 HG3 LYS 16 HG1 LYS 16 106.744 -1.396 12.700 145 HD2 LYS 16 HD2 LYS 16 108.720 -1.476 14.133 146 HD3 LYS 16 HD1 LYS 16 108.046 -2.841 15.023 147 HE2 LYS 16 HE2 LYS 16 107.924 -4.019 12.727 148 HE3 LYS 16 HE1 LYS 16 109.031 -2.760 12.182 149 HZ1 LYS 16 HZ1 LYS 16 110.353 -4.548 12.909 150 HZ2 LYS 16 HZ2 LYS 16 109.456 -4.744 14.338 151 HZ3 LYS 16 HZ3 LYS 16 110.445 -3.381 14.133 152 H GLN 17 HN GLN 17 104.670 1.394 15.756 153 HA GLN 17 HA GLN 17 103.322 0.434 18.057 154 HB2 GLN 17 HB2 GLN 17 103.730 3.228 16.990 155 HB3 GLN 17 HB1 GLN 17 102.932 2.904 18.523 156 HG2 GLN 17 HG2 GLN 17 104.903 1.752 19.358 157 HG3 GLN 17 HG1 GLN 17 105.699 1.916 17.802 158 HE21 GLN 17 HE21 GLN 17 107.226 3.018 19.661 159 HE22 GLN 17 HE22 GLN 17 107.052 4.703 19.761 160 H ALA 18 HN ALA 18 102.105 2.539 15.430 161 HA ALA 18 HA ALA 18 99.421 2.589 16.191 162 HB1 ALA 18 HB1 ALA 18 99.168 2.754 13.530 163 HB2 ALA 18 HB2 ALA 18 100.907 3.022 13.651 164 HB3 ALA 18 HB3 ALA 18 99.790 4.090 14.500 165 H LEU 19 HN LEU 19 101.280 0.034 15.106 166 HA LEU 19 HA LEU 19 99.040 -1.513 14.007 167 HB2 LEU 19 HB2 LEU 19 101.921 -1.689 13.844 168 HB3 LEU 19 HB1 LEU 19 101.203 -3.251 14.224 169 HG LEU 19 HG LEU 19 100.299 -1.446 11.964 170 HD11 LEU 19 HD11 LEU 19 102.621 -2.449 11.721 171 HD12 LEU 19 HD12 LEU 19 101.467 -2.934 10.479 172 HD13 LEU 19 HD13 LEU 19 101.861 -4.038 11.795 173 HD21 LEU 19 HD21 LEU 19 99.172 -3.775 13.259 174 HD22 LEU 19 HD22 LEU 19 99.562 -4.150 11.581 175 HD23 LEU 19 HD23 LEU 19 98.494 -2.799 11.959 176 H LYS 20 HN LYS 20 101.382 -1.809 16.671 177 HA LYS 20 HA LYS 20 100.564 -4.070 17.914 178 HB2 LYS 20 HB2 LYS 20 102.378 -2.556 18.718 179 HB3 LYS 20 HB1 LYS 20 101.138 -1.480 19.363 180 HG2 LYS 20 HG2 LYS 20 100.298 -3.277 20.809 181 HG3 LYS 20 HG1 LYS 20 101.496 -4.387 20.143 182 HD2 LYS 20 HD2 LYS 20 103.310 -2.928 20.978 183 HD3 LYS 20 HD1 LYS 20 102.105 -1.840 21.670 184 HE2 LYS 20 HE2 LYS 20 101.270 -3.649 23.108 185 HE3 LYS 20 HE1 LYS 20 102.438 -4.765 22.399 186 HZ1 LYS 20 HZ1 LYS 20 102.876 -3.282 24.598 187 HZ2 LYS 20 HZ2 LYS 20 103.588 -2.315 23.394 188 HZ3 LYS 20 HZ3 LYS 20 104.096 -3.921 23.610 189 H THR 21 HN THR 21 99.010 -0.905 18.140 190 HA THR 21 HA THR 21 97.050 -1.541 20.050 191 HB THR 21 HB THR 21 96.968 0.700 19.685 192 HG1 THR 21 HG1 THR 21 95.330 1.131 17.934 193 HG21 THR 21 HG21 THR 21 97.185 1.537 17.178 194 HG22 THR 21 HG22 THR 21 97.888 -0.056 16.949 195 HG23 THR 21 HG23 THR 21 98.612 1.066 18.097 196 H ARG 22 HN ARG 22 97.226 -2.202 16.616 197 HA ARG 22 HA ARG 22 94.483 -2.933 16.284 198 HB2 ARG 22 HB2 ARG 22 96.891 -3.743 14.642 199 HB3 ARG 22 HB1 ARG 22 95.213 -3.866 14.145 200 HG2 ARG 22 HG2 ARG 22 96.522 -1.254 14.931 201 HG3 ARG 22 HG1 ARG 22 96.421 -1.816 13.257 202 HD2 ARG 22 HD2 ARG 22 93.885 -2.046 13.694 203 HD3 ARG 22 HD1 ARG 22 94.164 -1.063 15.122 204 HE ARG 22 HE ARG 22 94.379 -0.185 12.347 205 HH11 ARG 22 HH11 ARG 22 94.511 2.068 12.104 206 HH12 ARG 22 HH12 ARG 22 94.766 3.072 13.494 207 HH21 ARG 22 HH21 ARG 22 94.866 0.418 15.722 208 HH22 ARG 22 HH22 ARG 22 94.966 2.135 15.541 209 H GLY 23 HN GLY 23 96.984 -4.376 17.950 210 HA2 GLY 23 HA2 GLY 23 96.483 -6.357 19.277 211 HA3 GLY 23 HA1 GLY 23 95.563 -6.975 17.909 212 H VAL 24 HN VAL 24 98.556 -5.417 17.227 213 HA VAL 24 HA VAL 24 99.720 -8.021 16.523 214 HB VAL 24 HB VAL 24 100.604 -5.275 15.625 215 HG11 VAL 24 HG11 VAL 24 101.399 -8.094 15.002 216 HG12 VAL 24 HG12 VAL 24 102.401 -6.656 15.163 217 HG13 VAL 24 HG13 VAL 24 101.447 -6.907 13.703 218 HG21 VAL 24 HG21 VAL 24 99.463 -6.088 13.442 219 HG22 VAL 24 HG22 VAL 24 98.410 -5.522 14.738 220 HG23 VAL 24 HG23 VAL 24 98.627 -7.252 14.471 221 H LYS 25 HN LYS 25 102.218 -8.003 16.632 222 HA LYS 25 HA LYS 25 103.019 -6.837 19.222 223 HB2 LYS 25 HB2 LYS 25 103.887 -9.415 17.902 224 HB3 LYS 25 HB1 LYS 25 104.633 -8.749 19.354 225 HG2 LYS 25 HG2 LYS 25 102.460 -8.823 20.515 226 HG3 LYS 25 HG1 LYS 25 101.705 -9.484 19.063 227 HD2 LYS 25 HD2 LYS 25 103.162 -11.456 19.177 228 HD3 LYS 25 HD1 LYS 25 103.969 -10.794 20.598 229 HE2 LYS 25 HE2 LYS 25 102.362 -12.299 21.478 230 HE3 LYS 25 HE1 LYS 25 101.628 -10.706 21.670 231 HZ1 LYS 25 HZ1 LYS 25 100.005 -12.138 20.736 232 HZ2 LYS 25 HZ2 LYS 25 101.079 -12.701 19.544 233 HZ3 LYS 25 HZ3 LYS 25 100.514 -11.100 19.495 234 H VAL 26 HN VAL 26 105.034 -5.862 19.388 235 HA VAL 26 HA VAL 26 106.501 -5.485 16.847 236 HB VAL 26 HB VAL 26 106.968 -3.192 17.507 237 HG11 VAL 26 HG11 VAL 26 104.039 -3.959 17.683 238 HG12 VAL 26 HG12 VAL 26 104.936 -3.538 16.226 239 HG13 VAL 26 HG13 VAL 26 104.621 -2.310 17.452 240 HG21 VAL 26 HG21 VAL 26 105.913 -4.191 20.067 241 HG22 VAL 26 HG22 VAL 26 105.239 -2.630 19.600 242 HG23 VAL 26 HG23 VAL 26 106.985 -2.826 19.753 243 H LYS 27 HN LYS 27 107.899 -7.212 17.486 244 HA LYS 27 HA LYS 27 109.665 -6.594 19.769 245 HB2 LYS 27 HB2 LYS 27 110.363 -9.008 19.530 246 HB3 LYS 27 HB1 LYS 27 108.690 -8.759 20.034 247 HG2 LYS 27 HG2 LYS 27 107.871 -9.186 17.816 248 HG3 LYS 27 HG1 LYS 27 109.503 -9.156 17.145 249 HD2 LYS 27 HD2 LYS 27 110.098 -11.183 18.292 250 HD3 LYS 27 HD1 LYS 27 108.599 -11.162 19.226 251 HE2 LYS 27 HE2 LYS 27 107.279 -11.674 17.325 252 HE3 LYS 27 HE1 LYS 27 108.582 -11.271 16.208 253 HZ1 LYS 27 HZ1 LYS 27 109.185 -13.385 16.263 254 HZ2 LYS 27 HZ2 LYS 27 108.002 -13.745 17.428 255 HZ3 LYS 27 HZ3 LYS 27 109.548 -13.235 17.913 256 H TYR 28 HN TYR 28 111.978 -7.272 19.447 257 HA TYR 28 HA TYR 28 113.155 -5.867 17.338 258 HB2 TYR 28 HB2 TYR 28 114.359 -6.434 19.400 259 HB3 TYR 28 HB1 TYR 28 114.310 -8.143 18.969 260 HD1 TYR 28 HD1 TYR 28 115.351 -4.836 17.534 261 HD2 TYR 28 HD2 TYR 28 116.110 -9.056 17.789 262 HE1 TYR 28 HE1 TYR 28 117.406 -4.550 16.174 263 HE2 TYR 28 HE2 TYR 28 118.162 -8.770 16.429 264 HH TYR 28 HH TYR 28 119.586 -5.788 15.858 265 H ALA 29 HN ALA 29 112.277 -9.271 17.623 266 HA ALA 29 HA ALA 29 113.575 -10.255 15.348 267 HB1 ALA 29 HB1 ALA 29 112.136 -11.417 17.273 268 HB2 ALA 29 HB2 ALA 29 112.437 -12.194 15.722 269 HB3 ALA 29 HB3 ALA 29 110.908 -11.367 16.009 270 H ASP 30 HN ASP 30 110.848 -8.209 15.668 271 HA ASP 30 HA ASP 30 109.584 -8.818 13.160 272 HB2 ASP 30 HB2 ASP 30 109.374 -6.404 14.956 273 HB3 ASP 30 HB1 ASP 30 108.371 -6.675 13.550 274 H LEU 31 HN LEU 31 111.920 -6.403 14.262 275 HA LEU 31 HA LEU 31 112.014 -4.905 11.847 276 HB2 LEU 31 HB2 LEU 31 113.912 -5.286 14.172 277 HB3 LEU 31 HB1 LEU 31 114.388 -4.332 12.767 278 HG LEU 31 HG LEU 31 111.985 -3.224 13.188 279 HD11 LEU 31 HD11 LEU 31 111.593 -4.800 15.132 280 HD12 LEU 31 HD12 LEU 31 111.456 -3.089 15.543 281 HD13 LEU 31 HD13 LEU 31 112.911 -3.983 15.971 282 HD21 LEU 31 HD21 LEU 31 114.111 -2.019 13.117 283 HD22 LEU 31 HD22 LEU 31 114.500 -2.579 14.744 284 HD23 LEU 31 HD23 LEU 31 113.147 -1.476 14.491 285 H LEU 32 HN LEU 32 113.840 -7.724 12.997 286 HA LEU 32 HA LEU 32 115.764 -7.821 10.963 287 HB2 LEU 32 HB2 LEU 32 114.456 -10.221 12.271 288 HB3 LEU 32 HB1 LEU 32 116.079 -10.129 11.582 289 HG LEU 32 HG LEU 32 115.105 -8.516 13.970 290 HD11 LEU 32 HD11 LEU 32 115.518 -11.074 14.201 291 HD12 LEU 32 HD12 LEU 32 116.323 -9.997 15.342 292 HD13 LEU 32 HD13 LEU 32 117.222 -10.672 13.983 293 HD21 LEU 32 HD21 LEU 32 116.785 -7.210 12.972 294 HD22 LEU 32 HD22 LEU 32 117.672 -8.617 12.383 295 HD23 LEU 32 HD23 LEU 32 117.712 -8.203 14.094 296 H LYS 33 HN LYS 33 112.654 -9.550 11.122 297 HA LYS 33 HA LYS 33 112.888 -10.530 8.444 298 HB2 LYS 33 HB2 LYS 33 111.616 -11.725 10.211 299 HB3 LYS 33 HB1 LYS 33 110.441 -10.411 10.225 300 HG2 LYS 33 HG2 LYS 33 109.927 -10.827 7.851 301 HG3 LYS 33 HG1 LYS 33 111.124 -12.120 7.813 302 HD2 LYS 33 HD2 LYS 33 109.854 -13.344 9.544 303 HD3 LYS 33 HD1 LYS 33 108.650 -12.055 9.565 304 HE2 LYS 33 HE2 LYS 33 108.151 -12.467 7.189 305 HE3 LYS 33 HE1 LYS 33 109.364 -13.746 7.151 306 HZ1 LYS 33 HZ1 LYS 33 107.175 -14.673 7.475 307 HZ2 LYS 33 HZ2 LYS 33 106.922 -13.696 8.841 308 HZ3 LYS 33 HZ3 LYS 33 108.107 -14.913 8.871 309 H PHE 34 HN PHE 34 110.707 -8.151 9.970 310 HA PHE 34 HA PHE 34 109.341 -7.381 7.689 311 HB2 PHE 34 HB2 PHE 34 108.809 -6.713 10.061 312 HB3 PHE 34 HB1 PHE 34 110.119 -5.537 9.961 313 HD1 PHE 34 HD1 PHE 34 109.901 -3.515 8.660 314 HD2 PHE 34 HD2 PHE 34 106.808 -6.494 8.606 315 HE1 PHE 34 HE1 PHE 34 108.381 -1.916 7.527 316 HE2 PHE 34 HE2 PHE 34 105.288 -4.896 7.472 317 HZ PHE 34 HZ PHE 34 106.075 -2.606 6.933 318 H PHE 35 HN PHE 35 112.403 -6.167 8.962 319 HA PHE 35 HA PHE 35 112.643 -4.057 7.022 320 HB2 PHE 35 HB2 PHE 35 113.749 -4.213 9.338 321 HB3 PHE 35 HB1 PHE 35 114.945 -5.254 8.553 322 HD1 PHE 35 HD1 PHE 35 115.949 -4.282 6.307 323 HD2 PHE 35 HD2 PHE 35 114.007 -1.912 9.325 324 HE1 PHE 35 HE1 PHE 35 117.063 -2.256 5.425 325 HE2 PHE 35 HE2 PHE 35 115.131 0.118 8.437 326 HZ PHE 35 HZ PHE 35 116.658 -0.055 6.491 327 H ASP 36 HN ASP 36 114.028 -7.314 7.384 328 HA ASP 36 HA ASP 36 115.602 -7.130 4.995 329 HB2 ASP 36 HB2 ASP 36 114.794 -9.466 6.724 330 HB3 ASP 36 HB1 ASP 36 115.861 -9.611 5.333 331 H PHE 37 HN PHE 37 112.331 -7.953 5.717 332 HA PHE 37 HA PHE 37 111.758 -9.647 3.536 333 HB2 PHE 37 HB2 PHE 37 110.252 -9.403 5.470 334 HB3 PHE 37 HB1 PHE 37 109.918 -7.737 5.000 335 HD1 PHE 37 HD1 PHE 37 109.657 -11.282 3.884 336 HD2 PHE 37 HD2 PHE 37 108.314 -7.242 3.317 337 HE1 PHE 37 HE1 PHE 37 107.888 -12.083 2.341 338 HE2 PHE 37 HE2 PHE 37 106.550 -8.047 1.772 339 HZ PHE 37 HZ PHE 37 106.338 -10.466 1.282 340 H VAL 38 HN VAL 38 111.201 -6.146 3.955 341 HA VAL 38 HA VAL 38 110.420 -5.805 1.199 342 HB VAL 38 HB VAL 38 110.711 -3.321 1.835 343 HG11 VAL 38 HG11 VAL 38 108.613 -3.315 3.013 344 HG12 VAL 38 HG12 VAL 38 108.864 -4.962 3.588 345 HG13 VAL 38 HG13 VAL 38 108.556 -4.663 1.876 346 HG21 VAL 38 HG21 VAL 38 111.444 -2.769 3.917 347 HG22 VAL 38 HG22 VAL 38 112.153 -4.381 3.915 348 HG23 VAL 38 HG23 VAL 38 110.588 -4.111 4.672 349 H LYS 39 HN LYS 39 113.376 -5.332 3.050 350 HA LYS 39 HA LYS 39 114.869 -3.875 1.179 351 HB2 LYS 39 HB2 LYS 39 115.562 -4.387 3.536 352 HB3 LYS 39 HB1 LYS 39 115.927 -6.031 3.017 353 HG2 LYS 39 HG2 LYS 39 117.547 -5.185 1.381 354 HG3 LYS 39 HG1 LYS 39 117.171 -3.529 1.856 355 HD2 LYS 39 HD2 LYS 39 117.954 -3.985 4.139 356 HD3 LYS 39 HD1 LYS 39 118.306 -5.655 3.697 357 HE2 LYS 39 HE2 LYS 39 119.931 -4.867 2.014 358 HE3 LYS 39 HE1 LYS 39 119.585 -3.197 2.462 359 HZ1 LYS 39 HZ1 LYS 39 120.372 -5.095 4.557 360 HZ2 LYS 39 HZ2 LYS 39 120.627 -3.418 4.467 361 HZ3 LYS 39 HZ3 LYS 39 121.572 -4.473 3.530 362 H ASP 40 HN ASP 40 114.072 -7.289 1.309 363 HA ASP 40 HA ASP 40 115.923 -8.489 -0.284 364 HB2 ASP 40 HB2 ASP 40 112.917 -8.819 -0.330 365 HB3 ASP 40 HB1 ASP 40 114.027 -9.897 -1.176 366 H THR 41 HN THR 41 112.923 -7.096 -1.637 367 HA THR 41 HA THR 41 114.417 -6.562 -4.133 368 HB THR 41 HB THR 41 112.200 -6.717 -5.262 369 HG1 THR 41 HG1 THR 41 110.495 -7.555 -4.060 370 HG21 THR 41 HG21 THR 41 113.086 -9.116 -3.637 371 HG22 THR 41 HG22 THR 41 113.670 -8.660 -5.237 372 HG23 THR 41 HG23 THR 41 112.002 -9.192 -5.026 373 H CYS 42 HN CYS 42 113.046 -5.112 -1.482 374 HA CYS 42 HA CYS 42 112.284 -2.980 -1.003 375 HB2 CYS 42 HB2 CYS 42 113.937 -2.060 -3.328 376 HB3 CYS 42 HB1 CYS 42 113.674 -1.270 -1.774 377 HG CYS 42 HG CYS 42 116.054 -2.713 -2.108 378 HA PRO 43 HA PRO 43 109.367 -3.048 -4.658 379 HB2 PRO 43 HB2 PRO 43 107.309 -3.698 -2.683 380 HB3 PRO 43 HB1 PRO 43 107.761 -4.571 -4.158 381 HG2 PRO 43 HG2 PRO 43 108.272 -5.525 -1.699 382 HG3 PRO 43 HG1 PRO 43 109.309 -5.856 -3.088 383 HD2 PRO 43 HD2 PRO 43 109.721 -3.890 -0.849 384 HD3 PRO 43 HD1 PRO 43 110.876 -4.973 -1.651 385 H TRP 44 HN TRP 44 109.437 -1.606 -1.516 386 HA TRP 44 HA TRP 44 107.267 0.192 -1.763 387 HB2 TRP 44 HB2 TRP 44 109.357 -0.340 0.121 388 HB3 TRP 44 HB1 TRP 44 109.278 1.393 -0.166 389 HD1 TRP 44 HD1 TRP 44 107.028 2.660 0.438 390 HE1 TRP 44 HE1 TRP 44 105.053 2.022 1.970 391 HE3 TRP 44 HE3 TRP 44 107.916 -2.339 0.988 392 HZ2 TRP 44 HZ2 TRP 44 103.992 -0.300 3.256 393 HZ3 TRP 44 HZ3 TRP 44 106.408 -3.736 2.372 394 HH2 TRP 44 HH2 TRP 44 104.450 -2.728 3.505 395 H PHE 45 HN PHE 45 109.083 0.046 -4.119 396 HA PHE 45 HA PHE 45 109.928 1.440 -5.692 397 HB2 PHE 45 HB2 PHE 45 107.757 2.747 -4.581 398 HB3 PHE 45 HB1 PHE 45 109.027 3.964 -4.636 399 HD1 PHE 45 HD1 PHE 45 110.598 3.408 -6.950 400 HD2 PHE 45 HD2 PHE 45 106.357 2.953 -6.437 401 HE1 PHE 45 HE1 PHE 45 110.277 3.642 -9.397 402 HE2 PHE 45 HE2 PHE 45 106.036 3.188 -8.883 403 HZ PHE 45 HZ PHE 45 107.996 3.532 -10.365 404 HA PRO 46 HA PRO 46 113.423 2.675 -3.005 405 HB2 PRO 46 HB2 PRO 46 115.383 1.799 -4.692 406 HB3 PRO 46 HB1 PRO 46 114.527 0.741 -3.555 407 HG2 PRO 46 HG2 PRO 46 114.198 1.037 -6.479 408 HG3 PRO 46 HG1 PRO 46 114.001 -0.389 -5.452 409 HD2 PRO 46 HD2 PRO 46 111.946 1.161 -6.473 410 HD3 PRO 46 HD1 PRO 46 111.788 0.044 -5.110 411 H GLN 47 HN GLN 47 112.394 3.653 -6.096 412 HA GLN 47 HA GLN 47 114.562 5.539 -6.570 413 HB2 GLN 47 HB2 GLN 47 111.910 5.117 -7.972 414 HB3 GLN 47 HB1 GLN 47 113.173 6.218 -8.516 415 HG2 GLN 47 HG2 GLN 47 114.743 4.373 -8.775 416 HG3 GLN 47 HG1 GLN 47 113.565 3.239 -8.117 417 HE21 GLN 47 HE21 GLN 47 114.232 2.356 -10.488 418 HE22 GLN 47 HE22 GLN 47 113.166 2.821 -11.725 419 H GLU 48 HN GLU 48 111.041 5.823 -6.046 420 HA GLU 48 HA GLU 48 111.375 8.635 -5.292 421 HB2 GLU 48 HB2 GLU 48 108.881 8.607 -5.193 422 HB3 GLU 48 HB1 GLU 48 109.524 8.137 -6.764 423 HG2 GLU 48 HG2 GLU 48 109.295 5.748 -6.097 424 HG3 GLU 48 HG1 GLU 48 108.552 6.270 -4.588 425 H GLY 49 HN GLY 49 110.683 5.524 -3.855 426 HA2 GLY 49 HA2 GLY 49 110.760 4.881 -1.622 427 HA3 GLY 49 HA1 GLY 49 111.206 6.527 -1.209 428 H THR 50 HN THR 50 108.373 4.804 -2.541 429 HA THR 50 HA THR 50 106.689 6.121 -0.520 430 HB THR 50 HB THR 50 106.681 7.355 -2.778 431 HG1 THR 50 HG1 THR 50 104.676 7.906 -2.325 432 HG21 THR 50 HG21 THR 50 105.471 6.377 -4.581 433 HG22 THR 50 HG22 THR 50 104.907 5.038 -3.583 434 HG23 THR 50 HG23 THR 50 106.611 5.134 -4.056 435 H ILE 51 HN ILE 51 104.421 5.160 -0.581 436 HA ILE 51 HA ILE 51 104.675 2.273 -0.532 437 HB ILE 51 HB ILE 51 102.100 3.715 -0.057 438 HG12 ILE 51 HG12 ILE 51 104.591 3.796 1.635 439 HG13 ILE 51 HG11 ILE 51 103.496 5.118 1.213 440 HG21 ILE 51 HG21 ILE 51 101.646 1.904 1.347 441 HG22 ILE 51 HG22 ILE 51 103.344 1.528 1.584 442 HG23 ILE 51 HG23 ILE 51 102.563 1.146 0.051 443 HD11 ILE 51 HD11 ILE 51 103.022 2.867 3.166 444 HD12 ILE 51 HD12 ILE 51 101.711 3.867 2.536 445 HD13 ILE 51 HD13 ILE 51 103.008 4.599 3.476 446 H ASP 52 HN ASP 52 103.601 0.814 -1.853 447 HA ASP 52 HA ASP 52 101.906 1.884 -3.995 448 HB2 ASP 52 HB2 ASP 52 104.177 1.755 -4.930 449 HB3 ASP 52 HB1 ASP 52 104.282 0.074 -4.426 450 H ILE 53 HN ILE 53 100.096 0.759 -4.028 451 HA ILE 53 HA ILE 53 99.760 -1.678 -2.564 452 HB ILE 53 HB ILE 53 97.882 -0.473 -4.608 453 HG12 ILE 53 HG12 ILE 53 98.478 1.231 -2.956 454 HG13 ILE 53 HG11 ILE 53 96.845 0.666 -2.618 455 HG21 ILE 53 HG21 ILE 53 96.166 -1.634 -3.246 456 HG22 ILE 53 HG22 ILE 53 97.436 -2.272 -2.201 457 HG23 ILE 53 HG23 ILE 53 97.346 -2.775 -3.888 458 HD11 ILE 53 HD11 ILE 53 98.024 -1.037 -1.012 459 HD12 ILE 53 HD12 ILE 53 97.873 0.635 -0.494 460 HD13 ILE 53 HD13 ILE 53 99.405 0.052 -1.139 461 H LYS 54 HN LYS 54 100.023 -0.888 -5.991 462 HA LYS 54 HA LYS 54 99.410 -3.436 -7.014 463 HB2 LYS 54 HB2 LYS 54 101.205 -1.262 -8.129 464 HB3 LYS 54 HB1 LYS 54 100.664 -2.676 -9.032 465 HG2 LYS 54 HG2 LYS 54 98.326 -2.024 -8.730 466 HG3 LYS 54 HG1 LYS 54 98.815 -0.646 -7.744 467 HD2 LYS 54 HD2 LYS 54 100.039 0.302 -9.658 468 HD3 LYS 54 HD1 LYS 54 99.571 -1.078 -10.651 469 HE2 LYS 54 HE2 LYS 54 97.184 -0.494 -10.310 470 HE3 LYS 54 HE1 LYS 54 97.676 0.911 -9.366 471 HZ1 LYS 54 HZ1 LYS 54 98.940 0.683 -11.955 472 HZ2 LYS 54 HZ2 LYS 54 98.259 2.039 -11.191 473 HZ3 LYS 54 HZ3 LYS 54 97.264 0.933 -12.013 474 H ARG 55 HN ARG 55 102.620 -1.959 -6.513 475 HA ARG 55 HA ARG 55 104.092 -4.293 -7.099 476 HB2 ARG 55 HB2 ARG 55 104.781 -1.828 -5.511 477 HB3 ARG 55 HB1 ARG 55 105.938 -3.108 -5.828 478 HG2 ARG 55 HG2 ARG 55 105.640 -2.814 -8.239 479 HG3 ARG 55 HG1 ARG 55 104.413 -1.580 -7.955 480 HD2 ARG 55 HD2 ARG 55 106.078 -0.171 -6.818 481 HD3 ARG 55 HD1 ARG 55 107.305 -1.408 -7.063 482 HE ARG 55 HE ARG 55 106.056 -0.539 -9.517 483 HH11 ARG 55 HH11 ARG 55 107.393 0.617 -10.945 484 HH12 ARG 55 HH12 ARG 55 108.897 1.264 -10.380 485 HH21 ARG 55 HH21 ARG 55 108.500 0.076 -7.147 486 HH22 ARG 55 HH22 ARG 55 109.524 0.959 -8.231 487 H TRP 56 HN TRP 56 102.653 -3.089 -4.129 488 HA TRP 56 HA TRP 56 103.962 -4.705 -2.285 489 HB2 TRP 56 HB2 TRP 56 102.573 -2.927 -1.491 490 HB3 TRP 56 HB1 TRP 56 101.157 -3.605 -2.296 491 HD1 TRP 56 HD1 TRP 56 99.618 -4.751 -0.651 492 HE1 TRP 56 HE1 TRP 56 99.904 -6.142 1.500 493 HE3 TRP 56 HE3 TRP 56 104.712 -4.685 -0.216 494 HZ2 TRP 56 HZ2 TRP 56 102.016 -7.100 3.180 495 HZ3 TRP 56 HZ3 TRP 56 105.825 -5.847 1.650 496 HH2 TRP 56 HH2 TRP 56 104.492 -7.056 3.349 497 H ARG 57 HN ARG 57 101.167 -5.355 -4.316 498 HA ARG 57 HA ARG 57 100.513 -7.887 -3.200 499 HB2 ARG 57 HB2 ARG 57 99.954 -6.687 -5.927 500 HB3 ARG 57 HB1 ARG 57 99.304 -8.229 -5.380 501 HG2 ARG 57 HG2 ARG 57 98.162 -7.169 -3.525 502 HG3 ARG 57 HG1 ARG 57 98.922 -5.620 -3.890 503 HD2 ARG 57 HD2 ARG 57 96.654 -5.626 -4.780 504 HD3 ARG 57 HD1 ARG 57 97.804 -5.630 -6.113 505 HE ARG 57 HE ARG 57 97.101 -8.298 -5.443 506 HH11 ARG 57 HH11 ARG 57 95.650 -9.388 -6.808 507 HH12 ARG 57 HH12 ARG 57 94.636 -8.486 -7.884 508 HH21 ARG 57 HH21 ARG 57 95.867 -5.402 -6.882 509 HH22 ARG 57 HH22 ARG 57 94.759 -6.230 -7.926 510 H ARG 58 HN ARG 58 102.671 -6.849 -5.800 511 HA ARG 58 HA ARG 58 103.243 -9.379 -6.897 512 HB2 ARG 58 HB2 ARG 58 103.892 -7.206 -7.923 513 HB3 ARG 58 HB1 ARG 58 105.112 -7.007 -6.664 514 HG2 ARG 58 HG2 ARG 58 106.220 -9.078 -7.380 515 HG3 ARG 58 HG1 ARG 58 104.980 -9.330 -8.609 516 HD2 ARG 58 HD2 ARG 58 105.620 -7.135 -9.628 517 HD3 ARG 58 HD1 ARG 58 106.938 -7.023 -8.465 518 HE ARG 58 HE ARG 58 108.088 -8.667 -9.667 519 HH11 ARG 58 HH11 ARG 58 108.374 -9.953 -11.516 520 HH12 ARG 58 HH12 ARG 58 107.040 -10.233 -12.586 521 HH21 ARG 58 HH21 ARG 58 104.810 -8.340 -10.725 522 HH22 ARG 58 HH22 ARG 58 105.022 -9.320 -12.138 523 H VAL 59 HN VAL 59 105.055 -7.526 -4.443 524 HA VAL 59 HA VAL 59 106.961 -9.559 -3.900 525 HB VAL 59 HB VAL 59 107.417 -7.291 -3.216 526 HG11 VAL 59 HG11 VAL 59 105.006 -7.541 -1.390 527 HG12 VAL 59 HG12 VAL 59 105.044 -6.631 -2.899 528 HG13 VAL 59 HG13 VAL 59 106.053 -6.133 -1.548 529 HG21 VAL 59 HG21 VAL 59 107.860 -9.451 -1.641 530 HG22 VAL 59 HG22 VAL 59 106.908 -8.462 -0.528 531 HG23 VAL 59 HG23 VAL 59 108.406 -7.828 -1.215 532 H GLY 60 HN GLY 60 103.785 -8.837 -2.531 533 HA2 GLY 60 HA2 GLY 60 103.897 -10.616 -0.340 534 HA3 GLY 60 HA1 GLY 60 102.428 -10.027 -1.109 535 H ASP 61 HN ASP 61 102.620 -11.040 -3.639 536 HA ASP 61 HA ASP 61 101.876 -13.771 -3.225 537 HB2 ASP 61 HB2 ASP 61 102.104 -11.956 -5.607 538 HB3 ASP 61 HB1 ASP 61 101.891 -13.689 -5.845 539 H CYS 62 HN CYS 62 104.712 -12.143 -4.503 540 HA CYS 62 HA CYS 62 105.988 -14.417 -5.601 541 HB2 CYS 62 HB2 CYS 62 107.110 -11.818 -4.536 542 HB3 CYS 62 HB1 CYS 62 108.075 -13.033 -5.372 543 HG CYS 62 HG CYS 62 105.764 -11.407 -6.704 544 H PHE 63 HN PHE 63 105.987 -13.007 -2.364 545 HA PHE 63 HA PHE 63 107.951 -14.916 -1.392 546 HB2 PHE 63 HB2 PHE 63 106.514 -12.556 -0.266 547 HB3 PHE 63 HB1 PHE 63 107.150 -13.762 0.852 548 HD1 PHE 63 HD1 PHE 63 109.395 -13.641 1.507 549 HD2 PHE 63 HD2 PHE 63 108.172 -11.777 -2.166 550 HE1 PHE 63 HE1 PHE 63 111.669 -12.698 1.226 551 HE2 PHE 63 HE2 PHE 63 110.446 -10.836 -2.446 552 HZ PHE 63 HZ PHE 63 112.196 -11.297 -0.751 553 H GLN 64 HN GLN 64 104.480 -14.316 -1.130 554 HA GLN 64 HA GLN 64 103.915 -16.308 0.789 555 HB2 GLN 64 HB2 GLN 64 102.338 -14.494 0.176 556 HB3 GLN 64 HB1 GLN 64 102.114 -15.256 -1.400 557 HG2 GLN 64 HG2 GLN 64 101.258 -17.287 -0.323 558 HG3 GLN 64 HG1 GLN 64 101.534 -16.576 1.266 559 HE21 GLN 64 HE21 GLN 64 99.672 -15.686 2.149 560 HE22 GLN 64 HE22 GLN 64 98.389 -15.024 1.256 561 H ASP 65 HN ASP 65 104.080 -16.373 -2.736 562 HA ASP 65 HA ASP 65 103.116 -19.028 -3.056 563 HB2 ASP 65 HB2 ASP 65 103.131 -17.535 -4.946 564 HB3 ASP 65 HB1 ASP 65 104.871 -17.299 -4.799 565 H TYR 66 HN TYR 66 106.430 -17.687 -3.041 566 HA TYR 66 HA TYR 66 107.750 -20.182 -3.242 567 HB2 TYR 66 HB2 TYR 66 108.904 -18.093 -3.724 568 HB3 TYR 66 HB1 TYR 66 108.692 -17.563 -2.055 569 HD1 TYR 66 HD1 TYR 66 110.426 -17.954 -0.539 570 HD2 TYR 66 HD2 TYR 66 110.036 -20.490 -3.986 571 HE1 TYR 66 HE1 TYR 66 112.505 -19.143 0.100 572 HE2 TYR 66 HE2 TYR 66 112.117 -21.678 -3.345 573 HH TYR 66 HH TYR 66 114.021 -20.654 -0.517 574 H TYR 67 HN TYR 67 106.709 -18.259 -0.465 575 HA TYR 67 HA TYR 67 107.922 -19.921 1.503 576 HB2 TYR 67 HB2 TYR 67 107.306 -17.605 2.000 577 HB3 TYR 67 HB1 TYR 67 105.610 -17.984 1.736 578 HD1 TYR 67 HD1 TYR 67 108.525 -19.343 3.682 579 HD2 TYR 67 HD2 TYR 67 104.329 -18.416 3.633 580 HE1 TYR 67 HE1 TYR 67 108.331 -20.094 6.036 581 HE2 TYR 67 HE2 TYR 67 104.138 -19.166 5.987 582 HH TYR 67 HH TYR 67 106.420 -21.005 7.521 583 H ASN 68 HN ASN 68 104.740 -19.817 -0.010 584 HA ASN 68 HA ASN 68 103.460 -21.659 1.689 585 HB2 ASN 68 HB2 ASN 68 102.187 -20.222 0.198 586 HB3 ASN 68 HB1 ASN 68 102.919 -20.992 -1.207 587 HD21 ASN 68 HD21 ASN 68 100.735 -21.690 -1.915 588 HD22 ASN 68 HD22 ASN 68 99.970 -22.998 -1.148 589 H THR 69 HN THR 69 105.319 -22.075 -1.280 590 HA THR 69 HA THR 69 104.803 -24.711 -1.896 591 HB THR 69 HB THR 69 107.119 -24.797 -2.813 592 HG1 THR 69 HG1 THR 69 108.301 -23.662 -1.386 593 HG21 THR 69 HG21 THR 69 106.666 -22.232 -3.838 594 HG22 THR 69 HG22 THR 69 105.066 -22.819 -3.386 595 HG23 THR 69 HG23 THR 69 106.065 -23.751 -4.503 596 H PHE 70 HN PHE 70 106.371 -23.482 0.895 597 HA PHE 70 HA PHE 70 107.581 -26.056 1.549 598 HB2 PHE 70 HB2 PHE 70 107.598 -23.376 2.952 599 HB3 PHE 70 HB1 PHE 70 108.379 -24.820 3.596 600 HD1 PHE 70 HD1 PHE 70 108.590 -22.115 1.183 601 HD2 PHE 70 HD2 PHE 70 110.210 -25.937 2.277 602 HE1 PHE 70 HE1 PHE 70 110.567 -21.684 -0.247 603 HE2 PHE 70 HE2 PHE 70 112.189 -25.507 0.846 604 HZ PHE 70 HZ PHE 70 112.368 -23.380 -0.416 605 H GLY 71 HN GLY 71 104.572 -25.265 1.503 606 HA2 GLY 71 HA2 GLY 71 102.684 -25.564 2.817 607 HA3 GLY 71 HA1 GLY 71 103.506 -27.066 3.225 608 HA PRO 72 HA PRO 72 104.765 -24.169 6.774 609 HB2 PRO 72 HB2 PRO 72 104.195 -21.512 6.636 610 HB3 PRO 72 HB1 PRO 72 105.649 -22.222 5.908 611 HG2 PRO 72 HG2 PRO 72 103.138 -21.323 4.620 612 HG3 PRO 72 HG1 PRO 72 104.795 -21.306 4.013 613 HD2 PRO 72 HD2 PRO 72 102.860 -23.202 3.316 614 HD3 PRO 72 HD1 PRO 72 104.611 -23.371 3.090 615 H GLU 73 HN GLU 73 103.562 -24.409 8.577 616 HA GLU 73 HA GLU 73 100.671 -24.092 8.418 617 HB2 GLU 73 HB2 GLU 73 101.771 -26.094 9.494 618 HB3 GLU 73 HB1 GLU 73 102.331 -25.015 10.772 619 HG2 GLU 73 HG2 GLU 73 100.272 -26.015 11.528 620 HG3 GLU 73 HG1 GLU 73 99.925 -24.334 11.136 621 H LYS 74 HN LYS 74 103.445 -22.494 9.768 622 HA LYS 74 HA LYS 74 102.155 -20.978 11.777 623 HB2 LYS 74 HB2 LYS 74 104.515 -19.957 10.215 624 HB3 LYS 74 HB1 LYS 74 104.150 -19.758 11.931 625 HG2 LYS 74 HG2 LYS 74 104.994 -22.320 10.536 626 HG3 LYS 74 HG1 LYS 74 105.939 -21.404 11.705 627 HD2 LYS 74 HD2 LYS 74 104.076 -21.796 13.376 628 HD3 LYS 74 HD1 LYS 74 103.353 -22.905 12.207 629 HE2 LYS 74 HE2 LYS 74 105.365 -24.283 12.209 630 HE3 LYS 74 HE1 LYS 74 106.156 -23.163 13.317 631 HZ1 LYS 74 HZ1 LYS 74 105.090 -24.029 15.049 632 HZ2 LYS 74 HZ2 LYS 74 104.666 -25.322 14.031 633 HZ3 LYS 74 HZ3 LYS 74 103.592 -24.026 14.254 634 H VAL 75 HN VAL 75 102.934 -20.212 8.388 635 HA VAL 75 HA VAL 75 102.392 -18.236 7.229 636 HB VAL 75 HB VAL 75 99.803 -19.609 7.882 637 HG11 VAL 75 HG11 VAL 75 98.931 -17.663 7.059 638 HG12 VAL 75 HG12 VAL 75 99.380 -18.378 5.511 639 HG13 VAL 75 HG13 VAL 75 100.441 -17.195 6.276 640 HG21 VAL 75 HG21 VAL 75 101.305 -19.653 5.268 641 HG22 VAL 75 HG22 VAL 75 100.188 -20.853 5.927 642 HG23 VAL 75 HG23 VAL 75 101.818 -20.708 6.587 643 HA PRO 76 HA PRO 76 101.606 -15.595 10.977 644 HB2 PRO 76 HB2 PRO 76 103.012 -13.716 9.130 645 HB3 PRO 76 HB1 PRO 76 103.284 -14.012 10.857 646 HG2 PRO 76 HG2 PRO 76 104.957 -14.948 9.015 647 HG3 PRO 76 HG1 PRO 76 104.570 -15.880 10.473 648 HD2 PRO 76 HD2 PRO 76 103.631 -16.274 7.670 649 HD3 PRO 76 HD1 PRO 76 103.953 -17.492 8.930 650 H VAL 77 HN VAL 77 99.690 -14.619 11.168 651 HA VAL 77 HA VAL 77 98.191 -13.798 8.814 652 HB VAL 77 HB VAL 77 97.483 -13.673 11.748 653 HG11 VAL 77 HG11 VAL 77 96.056 -12.938 9.230 654 HG12 VAL 77 HG12 VAL 77 95.980 -12.189 10.824 655 HG13 VAL 77 HG13 VAL 77 95.120 -13.698 10.518 656 HG21 VAL 77 HG21 VAL 77 97.773 -15.910 10.054 657 HG22 VAL 77 HG22 VAL 77 96.040 -15.567 10.042 658 HG23 VAL 77 HG23 VAL 77 96.864 -15.867 11.571 659 H THR 78 HN THR 78 100.056 -12.306 11.332 660 HA THR 78 HA THR 78 99.119 -9.747 11.504 661 HB THR 78 HB THR 78 101.337 -9.054 12.038 662 HG1 THR 78 HG1 THR 78 102.631 -9.620 10.445 663 HG21 THR 78 HG21 THR 78 102.034 -10.736 13.588 664 HG22 THR 78 HG22 THR 78 101.330 -12.023 12.609 665 HG23 THR 78 HG23 THR 78 100.282 -10.888 13.462 666 H ALA 79 HN ALA 79 100.709 -11.249 8.762 667 HA ALA 79 HA ALA 79 101.382 -8.994 7.263 668 HB1 ALA 79 HB1 ALA 79 100.877 -11.845 6.726 669 HB2 ALA 79 HB2 ALA 79 102.179 -10.798 6.150 670 HB3 ALA 79 HB3 ALA 79 100.610 -10.777 5.345 671 H PHE 80 HN PHE 80 98.289 -10.542 7.792 672 HA PHE 80 HA PHE 80 96.870 -9.297 5.666 673 HB2 PHE 80 HB2 PHE 80 96.048 -10.633 8.233 674 HB3 PHE 80 HB1 PHE 80 94.860 -9.841 7.214 675 HD1 PHE 80 HD1 PHE 80 97.626 -12.352 7.091 676 HD2 PHE 80 HD2 PHE 80 93.961 -10.949 5.348 677 HE1 PHE 80 HE1 PHE 80 97.581 -14.332 5.599 678 HE2 PHE 80 HE2 PHE 80 93.916 -12.927 3.853 679 HZ PHE 80 HZ PHE 80 95.725 -14.619 3.978 680 H SER 81 HN SER 81 97.460 -8.425 9.046 681 HA SER 81 HA SER 81 95.715 -6.226 9.198 682 HB2 SER 81 HB2 SER 81 98.316 -6.789 10.632 683 HB3 SER 81 HB1 SER 81 97.233 -5.462 11.045 684 HG SER 81 HG SER 81 96.897 -8.230 11.320 685 H TYR 82 HN TYR 82 99.069 -6.492 8.103 686 HA TYR 82 HA TYR 82 99.619 -3.754 7.811 687 HB2 TYR 82 HB2 TYR 82 100.704 -6.265 6.615 688 HB3 TYR 82 HB1 TYR 82 101.162 -4.728 5.890 689 HD1 TYR 82 HD1 TYR 82 101.434 -6.876 8.849 690 HD2 TYR 82 HD2 TYR 82 102.394 -3.034 7.189 691 HE1 TYR 82 HE1 TYR 82 103.067 -6.498 10.677 692 HE2 TYR 82 HE2 TYR 82 104.030 -2.655 9.016 693 HH TYR 82 HH TYR 82 104.361 -3.495 11.389 694 H TRP 83 HN TRP 83 98.284 -6.102 5.495 695 HA TRP 83 HA TRP 83 98.128 -4.443 3.264 696 HB2 TRP 83 HB2 TRP 83 96.471 -6.781 4.191 697 HB3 TRP 83 HB1 TRP 83 96.088 -5.934 2.692 698 HD1 TRP 83 HD1 TRP 83 99.572 -6.779 4.127 699 HE1 TRP 83 HE1 TRP 83 100.857 -8.152 2.366 700 HE3 TRP 83 HE3 TRP 83 95.938 -7.282 0.574 701 HZ2 TRP 83 HZ2 TRP 83 100.407 -9.307 -0.209 702 HZ3 TRP 83 HZ3 TRP 83 96.395 -8.522 -1.522 703 HH2 TRP 83 HH2 TRP 83 98.623 -9.536 -1.918 704 H ASN 84 HN ASN 84 95.693 -4.971 5.805 705 HA ASN 84 HA ASN 84 93.766 -3.214 4.715 706 HB2 ASN 84 HB2 ASN 84 94.230 -4.359 7.464 707 HB3 ASN 84 HB1 ASN 84 92.935 -3.201 7.169 708 HD21 ASN 84 HD21 ASN 84 93.440 -4.948 4.326 709 HD22 ASN 84 HD22 ASN 84 92.240 -6.129 4.539 710 H LEU 85 HN LEU 85 96.353 -2.717 7.100 711 HA LEU 85 HA LEU 85 95.604 -0.060 7.727 712 HB2 LEU 85 HB2 LEU 85 96.997 -1.476 9.211 713 HB3 LEU 85 HB1 LEU 85 98.292 -1.417 8.017 714 HG LEU 85 HG LEU 85 98.351 1.054 8.215 715 HD11 LEU 85 HD11 LEU 85 97.081 1.761 10.486 716 HD12 LEU 85 HD12 LEU 85 95.994 0.483 9.951 717 HD13 LEU 85 HD13 LEU 85 96.313 1.864 8.902 718 HD21 LEU 85 HD21 LEU 85 99.494 -0.731 9.870 719 HD22 LEU 85 HD22 LEU 85 98.505 0.126 11.049 720 HD23 LEU 85 HD23 LEU 85 99.686 1.008 10.084 721 H ILE 86 HN ILE 86 98.356 -1.308 5.839 722 HA ILE 86 HA ILE 86 99.247 1.131 4.849 723 HB ILE 86 HB ILE 86 99.580 -1.692 4.082 724 HG12 ILE 86 HG12 ILE 86 101.700 0.418 3.977 725 HG13 ILE 86 HG11 ILE 86 101.042 -0.003 5.561 726 HG21 ILE 86 HG21 ILE 86 99.999 0.596 2.174 727 HG22 ILE 86 HG22 ILE 86 99.088 -0.888 1.891 728 HG23 ILE 86 HG23 ILE 86 100.842 -0.934 2.013 729 HD11 ILE 86 HD11 ILE 86 102.255 -1.931 3.556 730 HD12 ILE 86 HD12 ILE 86 101.539 -2.400 5.098 731 HD13 ILE 86 HD13 ILE 86 102.992 -1.402 5.069 732 H LYS 87 HN LYS 87 96.764 -1.056 3.635 733 HA LYS 87 HA LYS 87 96.291 0.048 1.137 734 HB2 LYS 87 HB2 LYS 87 95.091 -1.909 1.624 735 HB3 LYS 87 HB1 LYS 87 94.495 -1.278 3.160 736 HG2 LYS 87 HG2 LYS 87 92.994 0.245 2.048 737 HG3 LYS 87 HG1 LYS 87 93.729 -0.101 0.474 738 HD2 LYS 87 HD2 LYS 87 92.964 -2.468 0.702 739 HD3 LYS 87 HD1 LYS 87 92.159 -2.030 2.210 740 HE2 LYS 87 HE2 LYS 87 90.736 -0.436 1.039 741 HE3 LYS 87 HE1 LYS 87 91.597 -0.731 -0.472 742 HZ1 LYS 87 HZ1 LYS 87 90.815 -2.953 -0.527 743 HZ2 LYS 87 HZ2 LYS 87 89.465 -1.967 -0.221 744 HZ3 LYS 87 HZ3 LYS 87 90.180 -2.851 1.043 745 H GLU 88 HN GLU 88 94.847 1.003 4.273 746 HA GLU 88 HA GLU 88 93.533 3.260 3.032 747 HB2 GLU 88 HB2 GLU 88 92.290 3.400 4.956 748 HB3 GLU 88 HB1 GLU 88 92.795 1.714 5.071 749 HG2 GLU 88 HG2 GLU 88 93.342 2.521 7.187 750 HG3 GLU 88 HG1 GLU 88 94.863 2.662 6.331 751 H LEU 89 HN LEU 89 96.539 2.599 4.495 752 HA LEU 89 HA LEU 89 97.074 4.984 5.821 753 HB2 LEU 89 HB2 LEU 89 98.459 2.885 5.884 754 HB3 LEU 89 HB1 LEU 89 99.090 3.318 4.307 755 HG LEU 89 HG LEU 89 99.868 5.461 5.264 756 HD11 LEU 89 HD11 LEU 89 98.713 6.039 7.154 757 HD12 LEU 89 HD12 LEU 89 100.009 5.149 7.950 758 HD13 LEU 89 HD13 LEU 89 98.468 4.361 7.629 759 HD21 LEU 89 HD21 LEU 89 101.635 4.384 6.807 760 HD22 LEU 89 HD22 LEU 89 101.555 3.825 5.137 761 HD23 LEU 89 HD23 LEU 89 100.828 2.864 6.422 762 H ILE 90 HN ILE 90 97.570 4.059 2.440 763 HA ILE 90 HA ILE 90 98.944 6.357 1.611 764 HB ILE 90 HB ILE 90 97.112 4.473 0.097 765 HG12 ILE 90 HG12 ILE 90 100.114 4.787 0.336 766 HG13 ILE 90 HG11 ILE 90 99.154 3.457 0.943 767 HG21 ILE 90 HG21 ILE 90 97.120 6.582 -1.112 768 HG22 ILE 90 HG22 ILE 90 98.198 5.491 -1.948 769 HG23 ILE 90 HG23 ILE 90 98.860 6.745 -0.905 770 HD11 ILE 90 HD11 ILE 90 100.083 2.689 -1.137 771 HD12 ILE 90 HD12 ILE 90 99.660 4.192 -1.947 772 HD13 ILE 90 HD13 ILE 90 98.393 3.067 -1.466 773 H ASP 91 HN ASP 91 95.470 5.644 1.771 774 HA ASP 91 HA ASP 91 94.665 8.150 0.628 775 HB2 ASP 91 HB2 ASP 91 93.161 6.010 2.139 776 HB3 ASP 91 HB1 ASP 91 92.394 7.456 1.483 777 H LYS 92 HN LYS 92 96.000 7.374 3.565 778 HA LYS 92 HA LYS 92 94.444 8.944 5.350 779 HB2 LYS 92 HB2 LYS 92 96.264 7.145 5.846 780 HB3 LYS 92 HB1 LYS 92 97.391 8.495 5.718 781 HG2 LYS 92 HG2 LYS 92 96.180 9.716 7.453 782 HG3 LYS 92 HG1 LYS 92 94.968 8.437 7.542 783 HD2 LYS 92 HD2 LYS 92 96.678 6.835 8.272 784 HD3 LYS 92 HD1 LYS 92 97.915 8.086 8.153 785 HE2 LYS 92 HE2 LYS 92 96.755 9.418 9.863 786 HE3 LYS 92 HE1 LYS 92 95.489 8.194 9.972 787 HZ1 LYS 92 HZ1 LYS 92 98.368 7.787 10.582 788 HZ2 LYS 92 HZ2 LYS 92 97.168 6.585 10.652 789 HZ3 LYS 92 HZ3 LYS 92 97.116 7.904 11.720 790 H LYS 93 HN LYS 93 96.291 9.855 2.742 791 HA LYS 93 HA LYS 93 97.049 11.888 1.981 792 HB2 LYS 93 HB2 LYS 93 95.661 13.107 4.372 793 HB3 LYS 93 HB1 LYS 93 96.022 13.868 2.826 794 HG2 LYS 93 HG2 LYS 93 94.096 11.575 3.281 795 HG3 LYS 93 HG1 LYS 93 93.662 13.237 2.896 796 HD2 LYS 93 HD2 LYS 93 95.110 12.942 0.785 797 HD3 LYS 93 HD1 LYS 93 95.049 11.213 1.134 798 HE2 LYS 93 HE2 LYS 93 92.630 11.212 1.029 799 HE3 LYS 93 HE1 LYS 93 92.599 12.966 0.841 800 HZ1 LYS 93 HZ1 LYS 93 92.529 12.427 -1.326 801 HZ2 LYS 93 HZ2 LYS 93 93.246 10.904 -1.098 802 HZ3 LYS 93 HZ3 LYS 93 94.212 12.301 -1.153 803 H GLU 94 HN GLU 94 98.166 10.379 4.560 804 HA GLU 94 HA GLU 94 99.941 12.515 5.509 805 HB2 GLU 94 HB2 GLU 94 99.430 9.699 6.489 806 HB3 GLU 94 HB1 GLU 94 100.669 10.757 7.167 807 HG2 GLU 94 HG2 GLU 94 97.729 11.461 6.999 808 HG3 GLU 94 HG1 GLU 94 98.515 10.830 8.441 809 H VAL 95 HN VAL 95 100.589 12.127 3.001 810 HA VAL 95 HA VAL 95 102.539 10.002 2.684 811 HB VAL 95 HB VAL 95 102.621 10.604 0.437 812 HG11 VAL 95 HG11 VAL 95 99.949 11.841 0.999 813 HG12 VAL 95 HG12 VAL 95 100.223 10.162 1.463 814 HG13 VAL 95 HG13 VAL 95 100.394 10.651 -0.224 815 HG21 VAL 95 HG21 VAL 95 101.786 12.957 -0.261 816 HG22 VAL 95 HG22 VAL 95 103.364 12.854 0.516 817 HG23 VAL 95 HG23 VAL 95 101.955 13.373 1.445 818 H ASN 96 HN ASN 96 104.705 10.727 1.637 819 HA ASN 96 HA ASN 96 105.842 12.831 3.359 820 HB2 ASN 96 HB2 ASN 96 106.667 10.132 2.782 821 HB3 ASN 96 HB1 ASN 96 107.924 11.259 2.295 822 HD21 ASN 96 HD21 ASN 96 105.577 11.377 5.038 823 HD22 ASN 96 HD22 ASN 96 106.767 11.541 6.237 824 HA PRO 97 HA PRO 97 107.328 15.444 0.148 825 HB2 PRO 97 HB2 PRO 97 110.098 14.461 0.662 826 HB3 PRO 97 HB1 PRO 97 109.495 16.127 0.562 827 HG2 PRO 97 HG2 PRO 97 110.052 14.948 2.901 828 HG3 PRO 97 HG1 PRO 97 108.748 16.131 2.720 829 HD2 PRO 97 HD2 PRO 97 108.580 13.228 3.147 830 HD3 PRO 97 HD1 PRO 97 107.369 14.477 3.475 831 H GLN 98 HN GLN 98 108.068 12.083 0.152 832 HA GLN 98 HA GLN 98 109.413 11.627 -2.202 833 HB2 GLN 98 HB2 GLN 98 108.470 9.462 -2.207 834 HB3 GLN 98 HB1 GLN 98 108.492 9.940 -0.509 835 HG2 GLN 98 HG2 GLN 98 106.080 10.906 -1.177 836 HG3 GLN 98 HG1 GLN 98 106.178 9.608 -2.360 837 HE21 GLN 98 HE21 GLN 98 104.225 9.251 -0.474 838 HE22 GLN 98 HE22 GLN 98 104.691 8.100 0.681 839 H VAL 99 HN VAL 99 106.455 13.234 -1.844 840 HA VAL 99 HA VAL 99 105.048 12.513 -4.160 841 HB VAL 99 HB VAL 99 105.205 15.170 -2.719 842 HG11 VAL 99 HG11 VAL 99 103.492 14.175 -4.989 843 HG12 VAL 99 HG12 VAL 99 104.318 15.725 -4.826 844 HG13 VAL 99 HG13 VAL 99 102.877 15.387 -3.866 845 HG21 VAL 99 HG21 VAL 99 102.891 13.268 -2.635 846 HG22 VAL 99 HG22 VAL 99 103.443 14.410 -1.410 847 HG23 VAL 99 HG23 VAL 99 104.318 12.899 -1.665 848 H MET 100 HN MET 100 107.439 15.122 -3.672 849 HA MET 100 HA MET 100 107.426 16.063 -6.338 850 HB2 MET 100 HB2 MET 100 109.630 16.138 -4.258 851 HB3 MET 100 HB1 MET 100 109.608 17.081 -5.750 852 HG2 MET 100 HG2 MET 100 107.469 18.123 -5.035 853 HG3 MET 100 HG1 MET 100 107.562 17.224 -3.520 854 HE1 MET 100 HE1 MET 100 108.176 19.630 -1.557 855 HE2 MET 100 HE2 MET 100 106.980 19.370 -2.824 856 HE3 MET 100 HE3 MET 100 107.945 20.843 -2.824 857 H ALA 101 HN ALA 101 109.542 13.722 -4.677 858 HA ALA 101 HA ALA 101 111.095 13.125 -6.998 859 HB1 ALA 101 HB1 ALA 101 111.459 10.942 -5.445 860 HB2 ALA 101 HB2 ALA 101 110.820 12.059 -4.227 861 HB3 ALA 101 HB3 ALA 101 112.279 12.475 -5.133 862 H ALA 102 HN ALA 102 107.990 12.219 -5.952 863 HA ALA 102 HA ALA 102 107.948 9.714 -7.460 864 HB1 ALA 102 HB1 ALA 102 106.775 9.704 -5.344 865 HB2 ALA 102 HB2 ALA 102 105.587 9.580 -6.651 866 HB3 ALA 102 HB3 ALA 102 105.830 11.116 -5.828 867 H VAL 103 HN VAL 103 106.937 13.028 -7.754 868 HA VAL 103 HA VAL 103 104.993 12.780 -9.767 869 HB VAL 103 HB VAL 103 106.964 14.996 -9.172 870 HG11 VAL 103 HG11 VAL 103 106.373 15.437 -11.401 871 HG12 VAL 103 HG12 VAL 103 105.142 16.324 -10.500 872 HG13 VAL 103 HG13 VAL 103 104.758 14.754 -11.207 873 HG21 VAL 103 HG21 VAL 103 104.148 15.524 -8.728 874 HG22 VAL 103 HG22 VAL 103 105.484 15.601 -7.580 875 HG23 VAL 103 HG23 VAL 103 104.646 14.076 -7.857 876 H ALA 104 HN ALA 104 108.529 13.193 -10.008 877 HA ALA 104 HA ALA 104 108.770 13.379 -12.762 878 HB1 ALA 104 HB1 ALA 104 110.543 12.275 -10.602 879 HB2 ALA 104 HB2 ALA 104 110.758 13.724 -11.587 880 HB3 ALA 104 HB3 ALA 104 111.019 12.129 -12.295 881 H GLN 105 HN GLN 105 108.344 10.522 -10.729 882 HA GLN 105 HA GLN 105 108.291 8.262 -11.315 883 HB2 GLN 105 HB2 GLN 105 105.978 9.089 -11.526 884 HB3 GLN 105 HB1 GLN 105 106.281 9.492 -13.216 885 HG2 GLN 105 HG2 GLN 105 106.647 7.182 -13.782 886 HG3 GLN 105 HG1 GLN 105 106.634 6.705 -12.085 887 HE21 GLN 105 HE21 GLN 105 104.823 5.438 -13.802 888 HE22 GLN 105 HE22 GLN 105 103.250 5.983 -13.476 889 H THR 106 HN THR 106 110.299 7.788 -12.228 890 HA THR 106 HA THR 106 110.391 7.867 -15.186 891 HB THR 106 HB THR 106 112.705 7.973 -13.237 892 HG1 THR 106 HG1 THR 106 112.508 10.045 -13.394 893 HG21 THR 106 HG21 THR 106 112.507 7.307 -16.043 894 HG22 THR 106 HG22 THR 106 113.931 7.311 -15.003 895 HG23 THR 106 HG23 THR 106 113.442 8.787 -15.834 896 H GLU 107 HN GLU 107 110.451 5.956 -16.166 897 HA GLU 107 HA GLU 107 110.965 3.558 -14.536 898 HB2 GLU 107 HB2 GLU 107 109.748 3.775 -17.304 899 HB3 GLU 107 HB1 GLU 107 109.824 2.328 -16.298 900 HG2 GLU 107 HG2 GLU 107 107.659 3.110 -15.862 901 HG3 GLU 107 HG1 GLU 107 108.584 3.779 -14.517 902 H GLU 108 HN GLU 108 112.525 2.069 -15.077 903 HA GLU 108 HA GLU 108 114.797 3.009 -16.521 904 HB2 GLU 108 HB2 GLU 108 114.078 0.279 -15.434 905 HB3 GLU 108 HB1 GLU 108 115.640 0.663 -16.165 906 HG2 GLU 108 HG2 GLU 108 115.995 2.432 -14.489 907 HG3 GLU 108 HG1 GLU 108 114.425 2.079 -13.769 908 H ILE 109 HN ILE 109 115.407 2.685 -18.589 909 HA ILE 109 HA ILE 109 113.552 1.974 -20.560 910 HB ILE 109 HB ILE 109 115.506 1.915 -22.093 911 HG12 ILE 109 HG12 ILE 109 117.173 2.279 -19.584 912 HG13 ILE 109 HG11 ILE 109 117.019 0.741 -20.427 913 HG21 ILE 109 HG21 ILE 109 116.457 4.214 -21.347 914 HG22 ILE 109 HG22 ILE 109 115.317 4.096 -20.011 915 HG23 ILE 109 HG23 ILE 109 114.731 4.112 -21.676 916 HD11 ILE 109 HD11 ILE 109 119.029 1.811 -21.222 917 HD12 ILE 109 HD12 ILE 109 118.156 3.310 -21.546 918 HD13 ILE 109 HD13 ILE 109 117.832 1.872 -22.515 919 H LEU 110 HN LEU 110 115.630 0.015 -18.606 920 HA LEU 110 HA LEU 110 115.766 -2.289 -20.247 921 HB2 LEU 110 HB2 LEU 110 115.900 -1.983 -17.237 922 HB3 LEU 110 HB1 LEU 110 116.257 -3.478 -18.094 923 HG LEU 110 HG LEU 110 117.663 -0.838 -18.603 924 HD11 LEU 110 HD11 LEU 110 119.599 -2.260 -17.539 925 HD12 LEU 110 HD12 LEU 110 118.277 -3.163 -16.802 926 HD13 LEU 110 HD13 LEU 110 118.448 -1.437 -16.487 927 HD21 LEU 110 HD21 LEU 110 118.085 -1.995 -20.544 928 HD22 LEU 110 HD22 LEU 110 117.753 -3.561 -19.810 929 HD23 LEU 110 HD23 LEU 110 119.306 -2.777 -19.542 930 H LYS 111 HN LYS 111 113.421 -1.182 -17.852 931 HA LYS 111 HA LYS 111 111.772 -3.562 -18.355 932 HB2 LYS 111 HB2 LYS 111 112.148 -2.997 -16.005 933 HB3 LYS 111 HB1 LYS 111 111.515 -1.371 -16.276 934 HG2 LYS 111 HG2 LYS 111 109.321 -2.299 -16.876 935 HG3 LYS 111 HG1 LYS 111 109.945 -3.942 -16.700 936 HD2 LYS 111 HD2 LYS 111 110.409 -3.497 -14.314 937 HD3 LYS 111 HD1 LYS 111 109.790 -1.855 -14.498 938 HE2 LYS 111 HE2 LYS 111 107.586 -2.739 -15.129 939 HE3 LYS 111 HE1 LYS 111 108.192 -4.384 -14.990 940 HZ1 LYS 111 HZ1 LYS 111 108.135 -4.318 -12.763 941 HZ2 LYS 111 HZ2 LYS 111 107.000 -3.076 -13.005 942 HZ3 LYS 111 HZ3 LYS 111 108.624 -2.696 -12.677 943 H SER 112 HN SER 112 110.109 -3.463 -19.711 944 HA SER 112 HA SER 112 109.264 -0.871 -20.764 945 HB2 SER 112 HB2 SER 112 107.883 -2.329 -22.312 946 HB3 SER 112 HB1 SER 112 109.627 -2.539 -22.436 947 HG SER 112 HG SER 112 109.246 -4.550 -21.993 948 H ASN 113 HN ASN 113 106.674 -1.216 -21.399 949 HA ASN 113 HA ASN 113 105.285 -0.599 -19.042 950 HB2 ASN 113 HB2 ASN 113 104.446 0.079 -21.225 951 HB3 ASN 113 HB1 ASN 113 104.233 -1.608 -21.696 952 HD21 ASN 113 HD21 ASN 113 101.925 -0.268 -21.895 953 HD22 ASN 113 HD22 ASN 113 100.900 -0.537 -20.570 954 H SER 114 HN SER 114 105.496 -3.645 -20.854 955 HA SER 114 HA SER 114 104.114 -5.014 -18.632 956 HB2 SER 114 HB2 SER 114 103.377 -6.611 -20.133 957 HB3 SER 114 HB1 SER 114 103.403 -5.181 -21.161 958 HG SER 114 HG SER 114 105.247 -5.872 -22.089 959 H GLN 115 HN GLN 115 104.939 -7.448 -18.568 960 HA GLN 115 HA GLN 115 106.615 -8.836 -17.829 961 HB2 GLN 115 HB2 GLN 115 108.155 -7.299 -19.937 962 HB3 GLN 115 HB1 GLN 115 108.728 -8.767 -19.153 963 HG2 GLN 115 HG2 GLN 115 106.758 -9.997 -19.972 964 HG3 GLN 115 HG1 GLN 115 106.173 -8.535 -20.764 965 HE21 GLN 115 HE21 GLN 115 106.431 -10.274 -22.664 966 HE22 GLN 115 HE22 GLN 115 107.920 -10.222 -23.478 967 H THR 116 HN THR 116 109.408 -8.330 -17.626 968 HA THR 116 HA THR 116 109.545 -6.079 -15.736 969 HB THR 116 HB THR 116 109.192 -8.207 -14.490 970 HG1 THR 116 HG1 THR 116 110.751 -6.340 -13.953 971 HG21 THR 116 HG21 THR 116 111.943 -9.095 -15.162 972 HG22 THR 116 HG22 THR 116 110.713 -9.363 -16.396 973 HG23 THR 116 HG23 THR 116 110.513 -10.053 -14.784 974 H ASP 117 HN ASP 117 112.201 -6.686 -14.910 975 HA ASP 117 HA ASP 117 113.697 -5.321 -16.834 976 HB2 ASP 117 HB2 ASP 117 114.363 -5.519 -14.468 977 HB3 ASP 117 HB1 ASP 117 114.703 -7.232 -14.713 978 H LEU 118 HN LEU 118 113.291 -8.793 -16.290 979 HA LEU 118 HA LEU 118 114.872 -9.311 -18.712 980 HB2 LEU 118 HB2 LEU 118 115.611 -10.452 -16.624 981 HB3 LEU 118 HB1 LEU 118 114.049 -11.262 -16.552 982 HG LEU 118 HG LEU 118 114.480 -12.243 -18.801 983 HD11 LEU 118 HD11 LEU 118 116.887 -10.508 -18.544 984 HD12 LEU 118 HD12 LEU 118 115.970 -10.953 -19.982 985 HD13 LEU 118 HD13 LEU 118 117.124 -12.089 -19.286 986 HD21 LEU 118 HD21 LEU 118 115.031 -13.706 -17.044 987 HD22 LEU 118 HD22 LEU 118 116.398 -12.717 -16.529 988 HD23 LEU 118 HD23 LEU 118 116.506 -13.665 -18.011 989 H GLU 119 HN GLU 119 113.819 -9.905 -20.519 990 HA GLU 119 HA GLU 119 110.994 -10.131 -20.604 991 HB2 GLU 119 HB2 GLU 119 113.120 -10.856 -22.636 992 HB3 GLU 119 HB1 GLU 119 111.389 -10.836 -22.970 993 HG2 GLU 119 HG2 GLU 119 111.282 -8.455 -22.363 994 HG3 GLU 119 HG1 GLU 119 113.005 -8.466 -21.990 995 H HIS 120 HN HIS 120 109.731 -11.830 -20.214 996 HA HIS 120 HA HIS 120 110.765 -14.334 -19.371 997 HB2 HIS 120 HB2 HIS 120 107.981 -13.449 -20.147 998 HB3 HIS 120 HB1 HIS 120 108.347 -15.055 -19.514 999 HD1 HIS 120 HD1 HIS 120 109.763 -14.956 -17.120 1000 HD2 HIS 120 HD2 HIS 120 107.488 -11.616 -18.144 1001 HE1 HIS 120 HE1 HIS 120 109.427 -13.636 -14.984 1002 HE2 HIS 120 HE2 HIS 120 108.042 -11.596 -15.592 1003 H HIS 121 HN HIS 121 109.319 -13.218 -22.407 1004 HA HIS 121 HA HIS 121 110.019 -15.815 -23.635 1005 HB2 HIS 121 HB2 HIS 121 107.958 -13.736 -24.376 1006 HB3 HIS 121 HB1 HIS 121 108.418 -15.058 -25.450 1007 HD1 HIS 121 HD1 HIS 121 106.314 -14.267 -22.537 1008 HD2 HIS 121 HD2 HIS 121 107.870 -17.712 -24.295 1009 HE1 HIS 121 HE1 HIS 121 105.018 -16.215 -21.566 1010 HE2 HIS 121 HE2 HIS 121 105.955 -18.322 -22.628 1011 H HIS 122 HN HIS 122 111.302 -15.884 -25.436 1012 HA HIS 122 HA HIS 122 112.671 -13.363 -26.130 1013 HB2 HIS 122 HB2 HIS 122 113.526 -16.230 -26.609 1014 HB3 HIS 122 HB1 HIS 122 114.475 -14.790 -26.975 1015 HD1 HIS 122 HD1 HIS 122 114.785 -13.147 -24.725 1016 HD2 HIS 122 HD2 HIS 122 114.075 -17.206 -24.090 1017 HE1 HIS 122 HE1 HIS 122 115.526 -13.641 -22.354 1018 HE2 HIS 122 HE2 HIS 122 115.100 -16.112 -21.952 1019 H HIS 123 HN HIS 123 112.230 -12.445 -28.023 1020 HA HIS 123 HA HIS 123 110.391 -13.468 -29.880 1021 HB2 HIS 123 HB2 HIS 123 112.523 -11.347 -30.208 1022 HB3 HIS 123 HB1 HIS 123 111.240 -11.657 -31.377 1023 HD1 HIS 123 HD1 HIS 123 108.758 -11.207 -30.564 1024 HD2 HIS 123 HD2 HIS 123 111.719 -9.894 -27.939 1025 HE1 HIS 123 HE1 HIS 123 107.621 -9.648 -28.921 1026 HE2 HIS 123 HE2 HIS 123 109.414 -8.840 -27.314 1027 H HIS 124 HN HIS 124 113.946 -13.387 -29.959 1028 HA HIS 124 HA HIS 124 113.868 -15.292 -32.222 1029 HB2 HIS 124 HB2 HIS 124 116.008 -13.328 -31.377 1030 HB3 HIS 124 HB1 HIS 124 116.210 -14.530 -32.653 1031 HD1 HIS 124 HD1 HIS 124 113.974 -11.578 -31.772 1032 HD2 HIS 124 HD2 HIS 124 115.185 -13.752 -35.117 1033 HE1 HIS 124 HE1 HIS 124 113.036 -10.369 -33.790 1034 HE2 HIS 124 HE2 HIS 124 113.765 -11.682 -35.838 1035 H HIS 125 HN HIS 125 114.640 -17.288 -31.920 1036 HA HIS 125 HA HIS 125 116.411 -17.798 -29.617 1037 HB2 HIS 125 HB2 HIS 125 114.271 -18.480 -28.809 1038 HB3 HIS 125 HB1 HIS 125 113.875 -19.277 -30.332 1039 HD1 HIS 125 HD1 HIS 125 116.081 -19.647 -27.287 1040 HD2 HIS 125 HD2 HIS 125 114.938 -21.872 -30.622 1041 HE1 HIS 125 HE1 HIS 125 116.935 -22.000 -26.905 1042 HE2 HIS 125 HE2 HIS 125 116.246 -23.369 -28.929 Start of MODEL 7 1 H21 MYR 1 1H2 MYR 1 115.084 9.232 -1.166 2 H22 MYR 1 2H2 MYR 1 114.758 10.155 0.134 3 H31 MYR 1 1H3 MYR 1 113.047 11.229 -0.898 4 H32 MYR 1 2H3 MYR 1 113.608 10.896 -2.389 5 H41 MYR 1 1H4 MYR 1 112.282 9.181 -2.502 6 H42 MYR 1 2H4 MYR 1 113.044 8.504 -1.232 7 H51 MYR 1 1H5 MYR 1 111.125 10.469 -0.566 8 H52 MYR 1 2H5 MYR 1 110.518 9.081 -1.162 9 H61 MYR 1 1H6 MYR 1 112.010 7.992 0.545 10 H62 MYR 1 2H6 MYR 1 111.976 9.450 1.269 11 H71 MYR 1 1H7 MYR 1 109.736 9.295 1.702 12 H72 MYR 1 2H7 MYR 1 109.552 8.034 0.688 13 H81 MYR 1 1H8 MYR 1 110.464 6.567 2.179 14 H82 MYR 1 2H8 MYR 1 111.079 7.764 3.099 15 H91 MYR 1 1H9 MYR 1 109.299 7.807 4.352 16 H92 MYR 1 2H9 MYR 1 108.319 7.948 3.058 17 H101 MYR 1 1H10 MYR 1 108.739 5.448 2.853 18 H102 MYR 1 2H10 MYR 1 109.065 5.568 4.444 19 H111 MYR 1 1H11 MYR 1 106.873 6.442 4.826 20 H112 MYR 1 2H11 MYR 1 106.537 6.304 3.240 21 H121 MYR 1 1H12 MYR 1 106.365 4.334 5.174 22 H122 MYR 1 2H12 MYR 1 105.786 4.294 3.654 23 H131 MYR 1 1H13 MYR 1 107.806 3.487 2.826 24 H132 MYR 1 2H13 MYR 1 108.556 3.737 4.249 25 H141 MYR 1 1H14 MYR 1 106.543 1.737 3.745 26 H142 MYR 1 2H14 MYR 1 108.115 1.454 4.082 27 H143 MYR 1 3H14 MYR 1 107.130 2.057 5.235 28 H GLY 2 HN GLY 2 117.086 9.766 -0.360 29 HA2 GLY 2 HA2 GLY 2 118.721 11.537 -0.024 30 HA3 GLY 2 HA1 GLY 2 117.413 12.701 -0.210 31 H GLN 3 HN GLN 3 117.920 13.654 1.811 32 HA GLN 3 HA GLN 3 118.256 12.477 4.264 33 HB2 GLN 3 HB2 GLN 3 116.755 14.995 3.531 34 HB3 GLN 3 HB1 GLN 3 117.091 14.528 5.199 35 HG2 GLN 3 HG2 GLN 3 119.498 14.496 4.730 36 HG3 GLN 3 HG1 GLN 3 119.189 14.906 3.043 37 HE21 GLN 3 HE21 GLN 3 120.762 16.759 4.053 38 HE22 GLN 3 HE22 GLN 3 119.933 18.147 4.571 39 H GLU 4 HN GLU 4 115.415 12.495 2.310 40 HA GLU 4 HA GLU 4 113.343 12.207 4.109 41 HB2 GLU 4 HB2 GLU 4 113.703 10.569 1.589 42 HB3 GLU 4 HB1 GLU 4 112.180 10.952 2.392 43 HG2 GLU 4 HG2 GLU 4 114.081 13.018 1.250 44 HG3 GLU 4 HG1 GLU 4 112.636 12.428 0.429 45 H LEU 5 HN LEU 5 116.017 10.112 3.590 46 HA LEU 5 HA LEU 5 115.122 7.598 4.226 47 HB2 LEU 5 HB2 LEU 5 117.491 8.227 3.723 48 HB3 LEU 5 HB1 LEU 5 117.627 8.856 5.366 49 HG LEU 5 HG LEU 5 117.009 6.620 6.253 50 HD11 LEU 5 HD11 LEU 5 116.635 6.127 3.347 51 HD12 LEU 5 HD12 LEU 5 115.798 5.414 4.728 52 HD13 LEU 5 HD13 LEU 5 117.393 4.823 4.262 53 HD21 LEU 5 HD21 LEU 5 119.351 7.011 6.137 54 HD22 LEU 5 HD22 LEU 5 119.369 6.868 4.378 55 HD23 LEU 5 HD23 LEU 5 119.127 5.435 5.378 56 H SER 6 HN SER 6 115.477 10.364 6.351 57 HA SER 6 HA SER 6 115.319 9.129 8.847 58 HB2 SER 6 HB2 SER 6 114.168 11.777 7.942 59 HB3 SER 6 HB1 SER 6 114.316 11.273 9.623 60 HG SER 6 HG SER 6 116.473 11.381 7.779 61 H GLN 7 HN GLN 7 112.791 9.894 6.513 62 HA GLN 7 HA GLN 7 110.528 9.492 8.096 63 HB2 GLN 7 HB2 GLN 7 110.989 8.907 5.163 64 HB3 GLN 7 HB1 GLN 7 109.405 8.864 5.940 65 HG2 GLN 7 HG2 GLN 7 109.610 11.208 6.581 66 HG3 GLN 7 HG1 GLN 7 111.247 11.271 5.930 67 HE21 GLN 7 HE21 GLN 7 109.719 13.125 4.767 68 HE22 GLN 7 HE22 GLN 7 109.152 12.644 3.241 69 H HIS 8 HN HIS 8 112.521 7.150 6.332 70 HA HIS 8 HA HIS 8 110.968 4.861 6.746 71 HB2 HIS 8 HB2 HIS 8 112.905 4.903 5.241 72 HB3 HIS 8 HB1 HIS 8 113.985 5.093 6.623 73 HD1 HIS 8 HD1 HIS 8 111.333 2.638 5.392 74 HD2 HIS 8 HD2 HIS 8 114.813 2.681 7.688 75 HE1 HIS 8 HE1 HIS 8 111.822 0.227 5.998 76 HE2 HIS 8 HE2 HIS 8 113.940 0.236 7.397 77 H GLU 9 HN GLU 9 113.676 6.107 8.709 78 HA GLU 9 HA GLU 9 113.704 4.269 10.755 79 HB2 GLU 9 HB2 GLU 9 114.063 7.269 10.883 80 HB3 GLU 9 HB1 GLU 9 114.428 6.182 12.223 81 HG2 GLU 9 HG2 GLU 9 116.045 4.973 10.844 82 HG3 GLU 9 HG1 GLU 9 115.643 5.979 9.454 83 H ARG 10 HN ARG 10 111.439 6.926 10.243 84 HA ARG 10 HA ARG 10 110.074 6.529 12.752 85 HB2 ARG 10 HB2 ARG 10 109.181 8.045 10.287 86 HB3 ARG 10 HB1 ARG 10 108.486 8.175 11.905 87 HG2 ARG 10 HG2 ARG 10 110.654 8.979 12.772 88 HG3 ARG 10 HG1 ARG 10 111.347 8.855 11.155 89 HD2 ARG 10 HD2 ARG 10 109.679 10.482 10.325 90 HD3 ARG 10 HD1 ARG 10 109.013 10.620 11.949 91 HE ARG 10 HE ARG 10 111.524 11.753 10.999 92 HH11 ARG 10 HH11 ARG 10 112.529 13.169 12.463 93 HH12 ARG 10 HH12 ARG 10 111.979 13.244 14.104 94 HH21 ARG 10 HH21 ARG 10 109.501 10.857 13.660 95 HH22 ARG 10 HH22 ARG 10 110.264 11.935 14.782 96 H TYR 11 HN TYR 11 109.315 5.859 9.334 97 HA TYR 11 HA TYR 11 106.837 4.697 9.564 98 HB2 TYR 11 HB2 TYR 11 107.867 4.995 7.399 99 HB3 TYR 11 HB1 TYR 11 109.152 3.856 7.806 100 HD1 TYR 11 HD1 TYR 11 108.764 1.463 7.815 101 HD2 TYR 11 HD2 TYR 11 105.560 4.207 7.009 102 HE1 TYR 11 HE1 TYR 11 107.357 -0.415 7.013 103 HE2 TYR 11 HE2 TYR 11 104.154 2.330 6.207 104 HH TYR 11 HH TYR 11 104.798 -0.844 6.826 105 H VAL 12 HN VAL 12 109.991 3.152 10.105 106 HA VAL 12 HA VAL 12 109.032 0.543 10.566 107 HB VAL 12 HB VAL 12 111.529 2.014 11.371 108 HG11 VAL 12 HG11 VAL 12 112.242 -0.440 12.025 109 HG12 VAL 12 HG12 VAL 12 110.515 -0.648 12.314 110 HG13 VAL 12 HG13 VAL 12 111.416 0.579 13.203 111 HG21 VAL 12 HG21 VAL 12 111.453 -0.540 9.830 112 HG22 VAL 12 HG22 VAL 12 112.489 0.872 9.614 113 HG23 VAL 12 HG23 VAL 12 110.826 0.900 9.028 114 H GLU 13 HN GLU 13 109.937 3.086 12.905 115 HA GLU 13 HA GLU 13 109.069 1.629 15.185 116 HB2 GLU 13 HB2 GLU 13 109.537 4.589 14.761 117 HB3 GLU 13 HB1 GLU 13 109.210 3.851 16.330 118 HG2 GLU 13 HG2 GLU 13 111.200 2.458 16.138 119 HG3 GLU 13 HG1 GLU 13 111.501 3.061 14.510 120 H GLN 14 HN GLN 14 107.561 4.193 13.238 121 HA GLN 14 HA GLN 14 105.202 4.407 14.797 122 HB2 GLN 14 HB2 GLN 14 105.986 6.114 13.148 123 HB3 GLN 14 HB1 GLN 14 105.531 5.009 11.850 124 HG2 GLN 14 HG2 GLN 14 103.721 6.611 12.261 125 HG3 GLN 14 HG1 GLN 14 103.204 4.985 12.702 126 HE21 GLN 14 HE21 GLN 14 101.750 5.479 14.410 127 HE22 GLN 14 HE22 GLN 14 102.214 6.299 15.822 128 H LEU 15 HN LEU 15 105.189 3.298 11.430 129 HA LEU 15 HA LEU 15 102.893 1.987 11.220 130 HB2 LEU 15 HB2 LEU 15 105.052 1.957 9.680 131 HB3 LEU 15 HB1 LEU 15 105.257 0.357 10.397 132 HG LEU 15 HG LEU 15 103.949 0.134 8.359 133 HD11 LEU 15 HD11 LEU 15 102.136 -1.106 9.236 134 HD12 LEU 15 HD12 LEU 15 101.947 -0.018 10.611 135 HD13 LEU 15 HD13 LEU 15 103.325 -1.116 10.539 136 HD21 LEU 15 HD21 LEU 15 103.016 2.656 8.976 137 HD22 LEU 15 HD22 LEU 15 101.616 1.643 9.325 138 HD23 LEU 15 HD23 LEU 15 102.347 1.613 7.721 139 H LYS 16 HN LYS 16 105.747 0.530 12.780 140 HA LYS 16 HA LYS 16 104.539 -1.910 13.491 141 HB2 LYS 16 HB2 LYS 16 106.880 -0.360 14.568 142 HB3 LYS 16 HB1 LYS 16 106.353 -1.854 15.342 143 HG2 LYS 16 HG2 LYS 16 106.523 -3.006 13.127 144 HG3 LYS 16 HG1 LYS 16 107.189 -1.521 12.447 145 HD2 LYS 16 HD2 LYS 16 109.079 -1.612 13.978 146 HD3 LYS 16 HD1 LYS 16 108.390 -3.013 14.798 147 HE2 LYS 16 HE2 LYS 16 108.401 -4.032 12.347 148 HE3 LYS 16 HE1 LYS 16 109.677 -2.840 12.101 149 HZ1 LYS 16 HZ1 LYS 16 110.710 -4.813 12.844 150 HZ2 LYS 16 HZ2 LYS 16 109.597 -5.017 14.111 151 HZ3 LYS 16 HZ3 LYS 16 110.726 -3.749 14.165 152 H GLN 17 HN GLN 17 104.772 1.181 15.214 153 HA GLN 17 HA GLN 17 103.494 0.315 17.596 154 HB2 GLN 17 HB2 GLN 17 103.974 2.999 16.327 155 HB3 GLN 17 HB1 GLN 17 102.991 2.854 17.784 156 HG2 GLN 17 HG2 GLN 17 104.812 1.829 18.994 157 HG3 GLN 17 HG1 GLN 17 105.785 1.713 17.528 158 HE21 GLN 17 HE21 GLN 17 107.136 3.041 19.394 159 HE22 GLN 17 HE22 GLN 17 107.055 4.725 19.199 160 H ALA 18 HN ALA 18 102.208 2.349 14.951 161 HA ALA 18 HA ALA 18 99.538 2.344 15.647 162 HB1 ALA 18 HB1 ALA 18 100.934 2.411 12.986 163 HB2 ALA 18 HB2 ALA 18 100.088 3.709 13.828 164 HB3 ALA 18 HB3 ALA 18 99.172 2.405 13.074 165 H LEU 19 HN LEU 19 101.457 -0.310 14.693 166 HA LEU 19 HA LEU 19 99.205 -1.937 13.808 167 HB2 LEU 19 HB2 LEU 19 102.137 -2.136 13.756 168 HB3 LEU 19 HB1 LEU 19 101.320 -3.659 14.109 169 HG LEU 19 HG LEU 19 100.587 -1.851 11.790 170 HD11 LEU 19 HD11 LEU 19 102.003 -4.490 11.523 171 HD12 LEU 19 HD12 LEU 19 102.935 -3.023 11.823 172 HD13 LEU 19 HD13 LEU 19 101.929 -3.148 10.380 173 HD21 LEU 19 HD21 LEU 19 99.331 -4.102 13.046 174 HD22 LEU 19 HD22 LEU 19 99.880 -4.595 11.444 175 HD23 LEU 19 HD23 LEU 19 98.800 -3.212 11.618 176 H LYS 20 HN LYS 20 101.570 -1.941 16.477 177 HA LYS 20 HA LYS 20 100.809 -4.118 17.922 178 HB2 LYS 20 HB2 LYS 20 102.599 -2.529 18.589 179 HB3 LYS 20 HB1 LYS 20 101.359 -1.388 19.112 180 HG2 LYS 20 HG2 LYS 20 100.511 -3.015 20.738 181 HG3 LYS 20 HG1 LYS 20 101.693 -4.204 20.188 182 HD2 LYS 20 HD2 LYS 20 103.525 -2.676 20.862 183 HD3 LYS 20 HD1 LYS 20 102.328 -1.523 21.455 184 HE2 LYS 20 HE2 LYS 20 101.484 -3.222 23.041 185 HE3 LYS 20 HE1 LYS 20 102.700 -4.361 22.460 186 HZ1 LYS 20 HZ1 LYS 20 102.976 -2.186 24.297 187 HZ2 LYS 20 HZ2 LYS 20 104.120 -2.111 23.044 188 HZ3 LYS 20 HZ3 LYS 20 104.011 -3.500 24.016 189 H THR 21 HN THR 21 99.112 -1.028 17.722 190 HA THR 21 HA THR 21 97.211 -1.520 19.758 191 HB THR 21 HB THR 21 97.437 0.723 19.014 192 HG1 THR 21 HG1 THR 21 95.104 -0.608 18.622 193 HG21 THR 21 HG21 THR 21 97.262 -0.543 16.316 194 HG22 THR 21 HG22 THR 21 98.340 0.729 16.892 195 HG23 THR 21 HG23 THR 21 96.665 1.109 16.490 196 H ARG 22 HN ARG 22 97.383 -2.443 16.381 197 HA ARG 22 HA ARG 22 94.645 -3.247 16.143 198 HB2 ARG 22 HB2 ARG 22 97.131 -3.623 14.508 199 HB3 ARG 22 HB1 ARG 22 95.696 -4.582 14.144 200 HG2 ARG 22 HG2 ARG 22 95.380 -1.630 14.533 201 HG3 ARG 22 HG1 ARG 22 96.051 -2.213 13.010 202 HD2 ARG 22 HD2 ARG 22 93.468 -3.248 14.200 203 HD3 ARG 22 HD1 ARG 22 93.537 -1.949 13.014 204 HE ARG 22 HE ARG 22 94.056 -4.779 12.527 205 HH11 ARG 22 HH11 ARG 22 94.256 -5.327 10.331 206 HH12 ARG 22 HH12 ARG 22 94.414 -4.076 9.143 207 HH21 ARG 22 HH21 ARG 22 94.267 -1.496 11.454 208 HH22 ARG 22 HH22 ARG 22 94.421 -1.907 9.778 209 H GLY 23 HN GLY 23 97.202 -4.522 17.864 210 HA2 GLY 23 HA2 GLY 23 96.786 -6.421 19.303 211 HA3 GLY 23 HA1 GLY 23 95.868 -7.155 17.992 212 H VAL 24 HN VAL 24 98.869 -5.533 17.321 213 HA VAL 24 HA VAL 24 100.099 -8.146 16.708 214 HB VAL 24 HB VAL 24 100.933 -5.431 15.674 215 HG11 VAL 24 HG11 VAL 24 102.710 -6.965 15.391 216 HG12 VAL 24 HG12 VAL 24 101.860 -7.014 13.847 217 HG13 VAL 24 HG13 VAL 24 101.614 -8.300 15.029 218 HG21 VAL 24 HG21 VAL 24 98.898 -7.421 14.687 219 HG22 VAL 24 HG22 VAL 24 99.778 -6.408 13.542 220 HG23 VAL 24 HG23 VAL 24 98.770 -5.665 14.783 221 H LYS 25 HN LYS 25 102.541 -8.137 16.898 222 HA LYS 25 HA LYS 25 103.338 -6.722 19.372 223 HB2 LYS 25 HB2 LYS 25 104.233 -9.413 18.311 224 HB3 LYS 25 HB1 LYS 25 104.914 -8.615 19.729 225 HG2 LYS 25 HG2 LYS 25 102.684 -8.603 20.793 226 HG3 LYS 25 HG1 LYS 25 102.007 -9.410 19.378 227 HD2 LYS 25 HD2 LYS 25 103.526 -11.325 19.748 228 HD3 LYS 25 HD1 LYS 25 104.182 -10.524 21.176 229 HE2 LYS 25 HE2 LYS 25 101.267 -11.273 20.803 230 HE3 LYS 25 HE1 LYS 25 102.429 -12.197 21.755 231 HZ1 LYS 25 HZ1 LYS 25 101.927 -10.877 23.445 232 HZ2 LYS 25 HZ2 LYS 25 100.992 -9.853 22.463 233 HZ3 LYS 25 HZ3 LYS 25 102.664 -9.594 22.616 234 H VAL 26 HN VAL 26 105.352 -5.751 19.455 235 HA VAL 26 HA VAL 26 106.802 -5.585 16.882 236 HB VAL 26 HB VAL 26 107.299 -3.247 17.394 237 HG11 VAL 26 HG11 VAL 26 105.261 -3.712 16.123 238 HG12 VAL 26 HG12 VAL 26 104.978 -2.353 17.211 239 HG13 VAL 26 HG13 VAL 26 104.355 -3.952 17.618 240 HG21 VAL 26 HG21 VAL 26 106.237 -4.066 20.003 241 HG22 VAL 26 HG22 VAL 26 105.541 -2.551 19.426 242 HG23 VAL 26 HG23 VAL 26 107.290 -2.709 19.596 243 H LYS 27 HN LYS 27 108.214 -7.262 17.623 244 HA LYS 27 HA LYS 27 110.037 -6.438 19.799 245 HB2 LYS 27 HB2 LYS 27 108.742 -8.717 19.802 246 HB3 LYS 27 HB1 LYS 27 109.986 -9.208 18.652 247 HG2 LYS 27 HG2 LYS 27 111.108 -7.786 20.942 248 HG3 LYS 27 HG1 LYS 27 110.230 -9.238 21.425 249 HD2 LYS 27 HD2 LYS 27 111.513 -10.501 19.654 250 HD3 LYS 27 HD1 LYS 27 112.494 -9.054 19.421 251 HE2 LYS 27 HE2 LYS 27 113.185 -9.114 21.774 252 HE3 LYS 27 HE1 LYS 27 112.164 -10.526 22.052 253 HZ1 LYS 27 HZ1 LYS 27 113.684 -11.867 21.171 254 HZ2 LYS 27 HZ2 LYS 27 114.771 -10.567 21.275 255 HZ3 LYS 27 HZ3 LYS 27 113.933 -10.863 19.827 256 H TYR 28 HN TYR 28 112.332 -6.997 19.484 257 HA TYR 28 HA TYR 28 113.429 -5.841 17.216 258 HB2 TYR 28 HB2 TYR 28 114.734 -6.164 19.240 259 HB3 TYR 28 HB1 TYR 28 114.641 -7.916 19.058 260 HD1 TYR 28 HD1 TYR 28 116.373 -9.026 17.957 261 HD2 TYR 28 HD2 TYR 28 115.684 -4.867 17.133 262 HE1 TYR 28 HE1 TYR 28 118.376 -8.983 16.495 263 HE2 TYR 28 HE2 TYR 28 117.687 -4.824 15.672 264 HH TYR 28 HH TYR 28 119.225 -6.093 14.626 265 H ALA 29 HN ALA 29 112.418 -9.148 17.763 266 HA ALA 29 HA ALA 29 113.739 -10.383 15.602 267 HB1 ALA 29 HB1 ALA 29 111.480 -11.020 17.387 268 HB2 ALA 29 HB2 ALA 29 112.824 -12.034 16.858 269 HB3 ALA 29 HB3 ALA 29 111.424 -11.806 15.809 270 H ASP 30 HN ASP 30 111.031 -8.245 15.728 271 HA ASP 30 HA ASP 30 109.825 -9.029 13.249 272 HB2 ASP 30 HB2 ASP 30 109.593 -6.522 14.924 273 HB3 ASP 30 HB1 ASP 30 108.644 -6.817 13.469 274 H LEU 31 HN LEU 31 112.110 -6.501 14.231 275 HA LEU 31 HA LEU 31 112.280 -5.147 11.773 276 HB2 LEU 31 HB2 LEU 31 114.146 -5.466 14.109 277 HB3 LEU 31 HB1 LEU 31 114.664 -4.602 12.660 278 HG LEU 31 HG LEU 31 112.226 -3.475 13.034 279 HD11 LEU 31 HD11 LEU 31 111.903 -4.795 15.131 280 HD12 LEU 31 HD12 LEU 31 111.892 -3.054 15.413 281 HD13 LEU 31 HD13 LEU 31 113.324 -4.003 15.811 282 HD21 LEU 31 HD21 LEU 31 114.197 -2.154 12.707 283 HD22 LEU 31 HD22 LEU 31 114.916 -2.733 14.210 284 HD23 LEU 31 HD23 LEU 31 113.528 -1.645 14.257 285 H LEU 32 HN LEU 32 114.111 -7.913 13.042 286 HA LEU 32 HA LEU 32 116.047 -8.192 11.098 287 HB2 LEU 32 HB2 LEU 32 114.500 -10.469 12.355 288 HB3 LEU 32 HB1 LEU 32 116.127 -10.543 11.678 289 HG LEU 32 HG LEU 32 115.292 -8.838 14.043 290 HD11 LEU 32 HD11 LEU 32 116.319 -10.427 15.437 291 HD12 LEU 32 HD12 LEU 32 117.203 -11.166 14.102 292 HD13 LEU 32 HD13 LEU 32 115.467 -11.431 14.266 293 HD21 LEU 32 HD21 LEU 32 117.961 -8.875 14.151 294 HD22 LEU 32 HD22 LEU 32 117.100 -7.675 13.189 295 HD23 LEU 32 HD23 LEU 32 117.784 -9.102 12.412 296 H LYS 33 HN LYS 33 112.993 -10.044 11.081 297 HA LYS 33 HA LYS 33 113.300 -10.819 8.354 298 HB2 LYS 33 HB2 LYS 33 112.008 -12.113 10.060 299 HB3 LYS 33 HB1 LYS 33 110.780 -10.848 10.029 300 HG2 LYS 33 HG2 LYS 33 110.384 -11.235 7.652 301 HG3 LYS 33 HG1 LYS 33 111.684 -12.425 7.602 302 HD2 LYS 33 HD2 LYS 33 110.458 -13.824 9.234 303 HD3 LYS 33 HD1 LYS 33 109.148 -12.643 9.251 304 HE2 LYS 33 HE2 LYS 33 108.771 -13.000 6.849 305 HE3 LYS 33 HE1 LYS 33 110.105 -14.153 6.801 306 HZ1 LYS 33 HZ1 LYS 33 107.978 -15.277 6.998 307 HZ2 LYS 33 HZ2 LYS 33 107.634 -14.426 8.429 308 HZ3 LYS 33 HZ3 LYS 33 108.919 -15.538 8.385 309 H PHE 34 HN PHE 34 111.046 -8.561 9.960 310 HA PHE 34 HA PHE 34 109.635 -7.727 7.726 311 HB2 PHE 34 HB2 PHE 34 109.126 -7.131 10.111 312 HB3 PHE 34 HB1 PHE 34 110.433 -5.950 10.042 313 HD1 PHE 34 HD1 PHE 34 107.203 -6.931 8.458 314 HD2 PHE 34 HD2 PHE 34 110.118 -3.827 9.026 315 HE1 PHE 34 HE1 PHE 34 105.674 -5.298 7.388 316 HE2 PHE 34 HE2 PHE 34 108.589 -2.195 7.957 317 HZ PHE 34 HZ PHE 34 106.366 -2.930 7.139 318 H PHE 35 HN PHE 35 112.668 -6.420 9.044 319 HA PHE 35 HA PHE 35 112.877 -4.295 7.159 320 HB2 PHE 35 HB2 PHE 35 114.049 -4.475 9.414 321 HB3 PHE 35 HB1 PHE 35 115.175 -5.583 8.631 322 HD1 PHE 35 HD1 PHE 35 116.411 -4.786 6.540 323 HD2 PHE 35 HD2 PHE 35 114.270 -2.133 9.153 324 HE1 PHE 35 HE1 PHE 35 117.663 -2.859 5.608 325 HE2 PHE 35 HE2 PHE 35 115.522 -0.206 8.221 326 HZ PHE 35 HZ PHE 35 117.218 -0.568 6.449 327 H ASP 36 HN ASP 36 114.245 -7.563 7.320 328 HA ASP 36 HA ASP 36 115.735 -7.261 4.872 329 HB2 ASP 36 HB2 ASP 36 115.053 -9.667 6.571 330 HB3 ASP 36 HB1 ASP 36 116.056 -9.747 5.124 331 H PHE 37 HN PHE 37 112.508 -8.095 5.718 332 HA PHE 37 HA PHE 37 111.822 -9.802 3.582 333 HB2 PHE 37 HB2 PHE 37 110.404 -9.437 5.583 334 HB3 PHE 37 HB1 PHE 37 110.054 -7.805 5.014 335 HD1 PHE 37 HD1 PHE 37 108.448 -7.406 3.295 336 HD2 PHE 37 HD2 PHE 37 109.714 -11.414 4.179 337 HE1 PHE 37 HE1 PHE 37 106.639 -8.296 1.850 338 HE2 PHE 37 HE2 PHE 37 107.905 -12.305 2.734 339 HZ PHE 37 HZ PHE 37 106.368 -10.745 1.570 340 H VAL 38 HN VAL 38 111.540 -6.266 3.915 341 HA VAL 38 HA VAL 38 110.641 -5.955 1.185 342 HB VAL 38 HB VAL 38 111.048 -3.468 1.781 343 HG11 VAL 38 HG11 VAL 38 108.965 -3.428 3.125 344 HG12 VAL 38 HG12 VAL 38 109.103 -5.169 3.372 345 HG13 VAL 38 HG13 VAL 38 108.830 -4.527 1.753 346 HG21 VAL 38 HG21 VAL 38 112.569 -4.242 3.743 347 HG22 VAL 38 HG22 VAL 38 111.057 -4.559 4.595 348 HG23 VAL 38 HG23 VAL 38 111.435 -2.926 4.047 349 H LYS 39 HN LYS 39 113.657 -5.679 2.962 350 HA LYS 39 HA LYS 39 115.198 -4.262 1.112 351 HB2 LYS 39 HB2 LYS 39 115.821 -5.027 3.482 352 HB3 LYS 39 HB1 LYS 39 116.270 -6.564 2.739 353 HG2 LYS 39 HG2 LYS 39 117.829 -5.398 1.234 354 HG3 LYS 39 HG1 LYS 39 117.368 -3.850 1.943 355 HD2 LYS 39 HD2 LYS 39 118.181 -4.614 4.146 356 HD3 LYS 39 HD1 LYS 39 118.648 -6.160 3.435 357 HE2 LYS 39 HE2 LYS 39 120.175 -4.956 1.883 358 HE3 LYS 39 HE1 LYS 39 119.749 -3.438 2.674 359 HZ1 LYS 39 HZ1 LYS 39 120.681 -4.181 4.698 360 HZ2 LYS 39 HZ2 LYS 39 121.829 -4.524 3.493 361 HZ3 LYS 39 HZ3 LYS 39 120.863 -5.769 4.128 362 H ASP 40 HN ASP 40 114.217 -7.632 1.176 363 HA ASP 40 HA ASP 40 115.943 -8.893 -0.504 364 HB2 ASP 40 HB2 ASP 40 112.923 -9.059 -0.509 365 HB3 ASP 40 HB1 ASP 40 113.977 -10.199 -1.346 366 H THR 41 HN THR 41 113.003 -7.251 -1.704 367 HA THR 41 HA THR 41 114.440 -6.766 -4.245 368 HB THR 41 HB THR 41 112.109 -6.700 -5.246 369 HG1 THR 41 HG1 THR 41 111.513 -7.862 -2.728 370 HG21 THR 41 HG21 THR 41 113.344 -8.643 -5.719 371 HG22 THR 41 HG22 THR 41 111.867 -9.275 -4.993 372 HG23 THR 41 HG23 THR 41 113.343 -9.164 -4.035 373 H CYS 42 HN CYS 42 113.426 -5.272 -1.511 374 HA CYS 42 HA CYS 42 112.709 -3.135 -0.967 375 HB2 CYS 42 HB2 CYS 42 114.540 -2.385 -3.251 376 HB3 CYS 42 HB1 CYS 42 114.193 -1.454 -1.794 377 HG CYS 42 HG CYS 42 115.677 -4.201 -1.601 378 HA PRO 43 HA PRO 43 109.876 -2.841 -4.697 379 HB2 PRO 43 HB2 PRO 43 107.729 -3.471 -2.810 380 HB3 PRO 43 HB1 PRO 43 108.178 -4.298 -4.313 381 HG2 PRO 43 HG2 PRO 43 108.561 -5.387 -1.881 382 HG3 PRO 43 HG1 PRO 43 109.621 -5.713 -3.262 383 HD2 PRO 43 HD2 PRO 43 110.095 -3.897 -0.916 384 HD3 PRO 43 HD1 PRO 43 111.210 -5.000 -1.752 385 H TRP 44 HN TRP 44 110.009 -1.540 -1.501 386 HA TRP 44 HA TRP 44 107.911 0.374 -1.707 387 HB2 TRP 44 HB2 TRP 44 109.877 -0.400 0.228 388 HB3 TRP 44 HB1 TRP 44 109.928 1.353 0.032 389 HD1 TRP 44 HD1 TRP 44 107.660 2.712 0.494 390 HE1 TRP 44 HE1 TRP 44 105.610 2.140 1.951 391 HE3 TRP 44 HE3 TRP 44 108.382 -2.306 1.103 392 HZ2 TRP 44 HZ2 TRP 44 104.434 -0.144 3.207 393 HZ3 TRP 44 HZ3 TRP 44 106.784 -3.654 2.433 394 HH2 TRP 44 HH2 TRP 44 104.812 -2.582 3.484 395 H PHE 45 HN PHE 45 109.808 0.251 -3.987 396 HA PHE 45 HA PHE 45 110.886 1.682 -5.426 397 HB2 PHE 45 HB2 PHE 45 108.699 3.120 -4.218 398 HB3 PHE 45 HB1 PHE 45 110.034 4.222 -4.558 399 HD1 PHE 45 HD1 PHE 45 107.213 2.602 -5.941 400 HD2 PHE 45 HD2 PHE 45 111.198 3.874 -6.917 401 HE1 PHE 45 HE1 PHE 45 106.637 2.559 -8.353 402 HE2 PHE 45 HE2 PHE 45 110.622 3.831 -9.329 403 HZ PHE 45 HZ PHE 45 108.341 3.173 -10.046 404 HA PRO 46 HA PRO 46 114.289 2.479 -2.454 405 HB2 PRO 46 HB2 PRO 46 115.739 2.282 -5.048 406 HB3 PRO 46 HB1 PRO 46 116.087 1.496 -3.497 407 HG2 PRO 46 HG2 PRO 46 115.052 0.131 -5.522 408 HG3 PRO 46 HG1 PRO 46 114.560 -0.186 -3.850 409 HD2 PRO 46 HD2 PRO 46 113.061 1.272 -5.997 410 HD3 PRO 46 HD1 PRO 46 112.450 0.226 -4.698 411 H GLN 47 HN GLN 47 113.653 3.937 -5.617 412 HA GLN 47 HA GLN 47 115.261 6.284 -5.015 413 HB2 GLN 47 HB2 GLN 47 113.469 5.650 -7.372 414 HB3 GLN 47 HB1 GLN 47 114.540 7.045 -7.251 415 HG2 GLN 47 HG2 GLN 47 116.487 5.569 -7.072 416 HG3 GLN 47 HG1 GLN 47 115.439 4.153 -7.113 417 HE21 GLN 47 HE21 GLN 47 115.729 3.212 -9.146 418 HE22 GLN 47 HE22 GLN 47 115.708 4.064 -10.614 419 H GLU 48 HN GLU 48 111.832 5.460 -5.414 420 HA GLU 48 HA GLU 48 111.004 8.179 -4.798 421 HB2 GLU 48 HB2 GLU 48 109.840 5.913 -6.089 422 HB3 GLU 48 HB1 GLU 48 108.807 6.370 -4.734 423 HG2 GLU 48 HG2 GLU 48 108.130 7.633 -6.702 424 HG3 GLU 48 HG1 GLU 48 108.868 8.734 -5.541 425 H GLY 49 HN GLY 49 111.686 5.291 -3.105 426 HA2 GLY 49 HA2 GLY 49 111.214 4.546 -0.964 427 HA3 GLY 49 HA1 GLY 49 111.513 6.231 -0.551 428 H THR 50 HN THR 50 108.878 5.466 -2.665 429 HA THR 50 HA THR 50 106.997 6.346 -0.585 430 HB THR 50 HB THR 50 107.103 7.456 -2.876 431 HG1 THR 50 HG1 THR 50 104.658 6.242 -2.111 432 HG21 THR 50 HG21 THR 50 107.181 4.981 -3.883 433 HG22 THR 50 HG22 THR 50 106.465 6.322 -4.776 434 HG23 THR 50 HG23 THR 50 105.432 5.202 -3.888 435 H ILE 51 HN ILE 51 104.755 5.305 -0.786 436 HA ILE 51 HA ILE 51 105.105 2.410 -0.618 437 HB ILE 51 HB ILE 51 102.487 3.788 -0.154 438 HG12 ILE 51 HG12 ILE 51 104.930 3.892 1.639 439 HG13 ILE 51 HG11 ILE 51 104.016 5.259 0.999 440 HG21 ILE 51 HG21 ILE 51 102.200 2.031 1.455 441 HG22 ILE 51 HG22 ILE 51 103.913 1.612 1.395 442 HG23 ILE 51 HG23 ILE 51 102.874 1.278 0.009 443 HD11 ILE 51 HD11 ILE 51 103.201 3.283 3.125 444 HD12 ILE 51 HD12 ILE 51 101.991 4.208 2.237 445 HD13 ILE 51 HD13 ILE 51 103.205 5.045 3.202 446 H ASP 52 HN ASP 52 104.097 0.928 -1.920 447 HA ASP 52 HA ASP 52 102.437 1.951 -4.133 448 HB2 ASP 52 HB2 ASP 52 104.766 1.673 -4.940 449 HB3 ASP 52 HB1 ASP 52 104.712 -0.019 -4.451 450 H ILE 53 HN ILE 53 100.563 0.906 -4.151 451 HA ILE 53 HA ILE 53 100.124 -1.465 -2.604 452 HB ILE 53 HB ILE 53 98.294 -0.262 -4.688 453 HG12 ILE 53 HG12 ILE 53 98.939 1.513 -3.168 454 HG13 ILE 53 HG11 ILE 53 97.323 0.972 -2.714 455 HG21 ILE 53 HG21 ILE 53 96.654 -1.586 -3.793 456 HG22 ILE 53 HG22 ILE 53 97.322 -1.486 -2.164 457 HG23 ILE 53 HG23 ILE 53 98.027 -2.596 -3.339 458 HD11 ILE 53 HD11 ILE 53 99.943 0.460 -1.328 459 HD12 ILE 53 HD12 ILE 53 98.596 -0.657 -1.111 460 HD13 ILE 53 HD13 ILE 53 98.422 1.036 -0.645 461 H LYS 54 HN LYS 54 100.448 -0.756 -6.058 462 HA LYS 54 HA LYS 54 99.691 -3.299 -7.021 463 HB2 LYS 54 HB2 LYS 54 99.874 -1.238 -8.417 464 HB3 LYS 54 HB1 LYS 54 101.629 -1.352 -8.291 465 HG2 LYS 54 HG2 LYS 54 101.604 -3.543 -9.368 466 HG3 LYS 54 HG1 LYS 54 99.841 -3.530 -9.410 467 HD2 LYS 54 HD2 LYS 54 99.868 -1.562 -10.877 468 HD3 LYS 54 HD1 LYS 54 101.631 -1.520 -10.809 469 HE2 LYS 54 HE2 LYS 54 101.729 -3.759 -11.839 470 HE3 LYS 54 HE1 LYS 54 99.967 -3.806 -11.906 471 HZ1 LYS 54 HZ1 LYS 54 101.222 -1.463 -13.073 472 HZ2 LYS 54 HZ2 LYS 54 99.901 -2.379 -13.624 473 HZ3 LYS 54 HZ3 LYS 54 101.488 -2.922 -13.896 474 H ARG 55 HN ARG 55 102.947 -1.914 -6.534 475 HA ARG 55 HA ARG 55 104.330 -4.318 -7.133 476 HB2 ARG 55 HB2 ARG 55 105.133 -1.820 -5.636 477 HB3 ARG 55 HB1 ARG 55 106.246 -3.154 -5.942 478 HG2 ARG 55 HG2 ARG 55 105.865 -2.934 -8.363 479 HG3 ARG 55 HG1 ARG 55 104.728 -1.619 -8.072 480 HD2 ARG 55 HD2 ARG 55 106.877 -0.655 -8.649 481 HD3 ARG 55 HD1 ARG 55 106.567 -0.349 -6.943 482 HE ARG 55 HE ARG 55 108.004 -2.755 -7.143 483 HH11 ARG 55 HH11 ARG 55 110.245 -2.744 -6.773 484 HH12 ARG 55 HH12 ARG 55 111.135 -1.266 -6.923 485 HH21 ARG 55 HH21 ARG 55 108.357 0.631 -7.766 486 HH22 ARG 55 HH22 ARG 55 110.066 0.645 -7.486 487 H TRP 56 HN TRP 56 103.028 -2.951 -4.166 488 HA TRP 56 HA TRP 56 104.333 -4.578 -2.292 489 HB2 TRP 56 HB2 TRP 56 103.078 -2.707 -1.501 490 HB3 TRP 56 HB1 TRP 56 101.601 -3.290 -2.268 491 HD1 TRP 56 HD1 TRP 56 100.011 -4.313 -0.588 492 HE1 TRP 56 HE1 TRP 56 100.235 -5.683 1.584 493 HE3 TRP 56 HE3 TRP 56 105.098 -4.576 -0.231 494 HZ2 TRP 56 HZ2 TRP 56 102.299 -6.749 3.254 495 HZ3 TRP 56 HZ3 TRP 56 106.167 -5.773 1.658 496 HH2 TRP 56 HH2 TRP 56 104.774 -6.859 3.400 497 H ARG 57 HN ARG 57 101.459 -5.150 -4.262 498 HA ARG 57 HA ARG 57 100.697 -7.596 -3.029 499 HB2 ARG 57 HB2 ARG 57 100.141 -6.432 -5.761 500 HB3 ARG 57 HB1 ARG 57 99.446 -7.953 -5.200 501 HG2 ARG 57 HG2 ARG 57 98.369 -6.834 -3.333 502 HG3 ARG 57 HG1 ARG 57 99.172 -5.315 -3.732 503 HD2 ARG 57 HD2 ARG 57 96.859 -5.312 -4.567 504 HD3 ARG 57 HD1 ARG 57 98.004 -5.269 -5.906 505 HE ARG 57 HE ARG 57 97.310 -7.416 -6.516 506 HH11 ARG 57 HH11 ARG 57 95.872 -9.169 -6.370 507 HH12 ARG 57 HH12 ARG 57 94.867 -9.342 -4.970 508 HH21 ARG 57 HH21 ARG 57 96.087 -6.495 -3.413 509 HH22 ARG 57 HH22 ARG 57 94.989 -7.829 -3.296 510 H ARG 58 HN ARG 58 102.824 -6.784 -5.730 511 HA ARG 58 HA ARG 58 103.238 -9.372 -6.736 512 HB2 ARG 58 HB2 ARG 58 104.970 -6.901 -6.721 513 HB3 ARG 58 HB1 ARG 58 105.460 -8.393 -7.523 514 HG2 ARG 58 HG2 ARG 58 103.399 -8.346 -8.879 515 HG3 ARG 58 HG1 ARG 58 102.908 -6.851 -8.081 516 HD2 ARG 58 HD2 ARG 58 103.964 -6.356 -10.243 517 HD3 ARG 58 HD1 ARG 58 104.949 -5.739 -8.920 518 HE ARG 58 HE ARG 58 106.581 -7.341 -9.435 519 HH11 ARG 58 HH11 ARG 58 107.489 -8.865 -10.853 520 HH12 ARG 58 HH12 ARG 58 106.506 -9.586 -12.085 521 HH21 ARG 58 HH21 ARG 58 103.643 -7.846 -11.193 522 HH22 ARG 58 HH22 ARG 58 104.329 -9.009 -12.277 523 H VAL 59 HN VAL 59 105.174 -7.520 -4.378 524 HA VAL 59 HA VAL 59 107.013 -9.592 -3.820 525 HB VAL 59 HB VAL 59 107.568 -7.335 -3.213 526 HG11 VAL 59 HG11 VAL 59 106.283 -6.085 -1.538 527 HG12 VAL 59 HG12 VAL 59 105.172 -7.442 -1.355 528 HG13 VAL 59 HG13 VAL 59 105.235 -6.553 -2.876 529 HG21 VAL 59 HG21 VAL 59 108.545 -7.815 -1.180 530 HG22 VAL 59 HG22 VAL 59 108.007 -9.442 -1.600 531 HG23 VAL 59 HG23 VAL 59 107.050 -8.454 -0.496 532 H GLY 60 HN GLY 60 103.905 -8.713 -2.392 533 HA2 GLY 60 HA2 GLY 60 104.015 -10.444 -0.157 534 HA3 GLY 60 HA1 GLY 60 102.546 -9.792 -0.879 535 H ASP 61 HN ASP 61 102.504 -10.854 -3.365 536 HA ASP 61 HA ASP 61 101.664 -13.536 -2.882 537 HB2 ASP 61 HB2 ASP 61 101.879 -11.771 -5.292 538 HB3 ASP 61 HB1 ASP 61 101.600 -13.498 -5.509 539 H CYS 62 HN CYS 62 104.525 -12.074 -4.343 540 HA CYS 62 HA CYS 62 105.652 -14.416 -5.439 541 HB2 CYS 62 HB2 CYS 62 106.881 -11.840 -4.456 542 HB3 CYS 62 HB1 CYS 62 107.830 -13.124 -5.205 543 HG CYS 62 HG CYS 62 105.819 -12.765 -7.192 544 H PHE 63 HN PHE 63 105.886 -12.957 -2.223 545 HA PHE 63 HA PHE 63 107.767 -14.959 -1.294 546 HB2 PHE 63 HB2 PHE 63 106.483 -12.520 -0.168 547 HB3 PHE 63 HB1 PHE 63 107.018 -13.755 0.972 548 HD1 PHE 63 HD1 PHE 63 108.197 -11.825 -2.015 549 HD2 PHE 63 HD2 PHE 63 109.268 -13.854 1.616 550 HE1 PHE 63 HE1 PHE 63 110.541 -11.059 -2.280 551 HE2 PHE 63 HE2 PHE 63 111.612 -13.088 1.352 552 HZ PHE 63 HZ PHE 63 112.249 -11.691 -0.596 553 H GLN 64 HN GLN 64 104.333 -14.199 -0.880 554 HA GLN 64 HA GLN 64 103.758 -16.188 1.046 555 HB2 GLN 64 HB2 GLN 64 102.243 -14.301 0.527 556 HB3 GLN 64 HB1 GLN 64 101.921 -15.013 -1.055 557 HG2 GLN 64 HG2 GLN 64 100.957 -16.989 -0.037 558 HG3 GLN 64 HG1 GLN 64 101.423 -16.438 1.572 559 HE21 GLN 64 HE21 GLN 64 98.660 -16.980 0.579 560 HE22 GLN 64 HE22 GLN 64 97.814 -15.518 0.754 561 H ASP 65 HN ASP 65 103.722 -16.214 -2.496 562 HA ASP 65 HA ASP 65 102.626 -18.811 -2.799 563 HB2 ASP 65 HB2 ASP 65 102.646 -17.274 -4.666 564 HB3 ASP 65 HB1 ASP 65 104.405 -17.177 -4.619 565 H TYR 66 HN TYR 66 105.997 -17.652 -2.890 566 HA TYR 66 HA TYR 66 107.176 -20.204 -3.200 567 HB2 TYR 66 HB2 TYR 66 108.425 -18.177 -3.694 568 HB3 TYR 66 HB1 TYR 66 108.301 -17.657 -2.013 569 HD1 TYR 66 HD1 TYR 66 109.366 -20.687 -3.964 570 HD2 TYR 66 HD2 TYR 66 110.115 -18.090 -0.625 571 HE1 TYR 66 HE1 TYR 66 111.403 -21.988 -3.408 572 HE2 TYR 66 HE2 TYR 66 112.151 -19.392 -0.069 573 HH TYR 66 HH TYR 66 113.787 -20.893 -1.380 574 H TYR 67 HN TYR 67 106.406 -18.263 -0.336 575 HA TYR 67 HA TYR 67 107.615 -19.979 1.565 576 HB2 TYR 67 HB2 TYR 67 106.995 -17.671 2.103 577 HB3 TYR 67 HB1 TYR 67 105.290 -18.067 1.889 578 HD1 TYR 67 HD1 TYR 67 104.098 -18.446 3.846 579 HD2 TYR 67 HD2 TYR 67 108.256 -19.516 3.690 580 HE1 TYR 67 HE1 TYR 67 103.983 -19.232 6.194 581 HE2 TYR 67 HE2 TYR 67 108.140 -20.302 6.040 582 HH TYR 67 HH TYR 67 106.889 -20.396 7.885 583 H ASN 68 HN ASN 68 104.388 -19.868 0.133 584 HA ASN 68 HA ASN 68 103.120 -21.697 1.858 585 HB2 ASN 68 HB2 ASN 68 102.623 -20.872 -0.997 586 HB3 ASN 68 HB1 ASN 68 101.620 -22.083 -0.199 587 HD21 ASN 68 HD21 ASN 68 100.572 -19.528 -1.031 588 HD22 ASN 68 HD22 ASN 68 100.147 -18.662 0.366 589 H THR 69 HN THR 69 104.973 -22.175 -1.124 590 HA THR 69 HA THR 69 104.470 -24.811 -1.696 591 HB THR 69 HB THR 69 106.733 -24.915 -2.646 592 HG1 THR 69 HG1 THR 69 108.071 -23.933 -1.307 593 HG21 THR 69 HG21 THR 69 104.901 -22.628 -3.031 594 HG22 THR 69 HG22 THR 69 105.547 -23.767 -4.213 595 HG23 THR 69 HG23 THR 69 106.524 -22.400 -3.680 596 H PHE 70 HN PHE 70 106.050 -23.524 1.083 597 HA PHE 70 HA PHE 70 107.271 -26.075 1.811 598 HB2 PHE 70 HB2 PHE 70 107.213 -23.366 3.151 599 HB3 PHE 70 HB1 PHE 70 107.980 -24.787 3.861 600 HD1 PHE 70 HD1 PHE 70 109.944 -25.834 2.785 601 HD2 PHE 70 HD2 PHE 70 108.175 -22.239 1.236 602 HE1 PHE 70 HE1 PHE 70 111.968 -25.430 1.411 603 HE2 PHE 70 HE2 PHE 70 110.199 -21.835 -0.139 604 HZ PHE 70 HZ PHE 70 112.095 -23.430 -0.052 605 H GLY 71 HN GLY 71 104.247 -25.368 1.675 606 HA2 GLY 71 HA2 GLY 71 102.340 -25.654 2.974 607 HA3 GLY 71 HA1 GLY 71 103.168 -27.151 3.394 608 HA PRO 72 HA PRO 72 104.365 -24.245 6.958 609 HB2 PRO 72 HB2 PRO 72 103.774 -21.591 6.815 610 HB3 PRO 72 HB1 PRO 72 105.244 -22.289 6.109 611 HG2 PRO 72 HG2 PRO 72 102.741 -21.418 4.787 612 HG3 PRO 72 HG1 PRO 72 104.411 -21.369 4.200 613 HD2 PRO 72 HD2 PRO 72 102.516 -23.296 3.451 614 HD3 PRO 72 HD1 PRO 72 104.278 -23.457 3.279 615 H GLU 73 HN GLU 73 103.167 -24.401 8.777 616 HA GLU 73 HA GLU 73 100.263 -24.178 8.580 617 HB2 GLU 73 HB2 GLU 73 102.124 -25.192 10.731 618 HB3 GLU 73 HB1 GLU 73 100.381 -25.052 10.962 619 HG2 GLU 73 HG2 GLU 73 99.984 -26.532 9.048 620 HG3 GLU 73 HG1 GLU 73 101.719 -26.638 8.752 621 H LYS 74 HN LYS 74 102.987 -22.581 10.121 622 HA LYS 74 HA LYS 74 101.593 -21.008 11.984 623 HB2 LYS 74 HB2 LYS 74 104.149 -20.402 10.479 624 HB3 LYS 74 HB1 LYS 74 103.573 -19.516 11.891 625 HG2 LYS 74 HG2 LYS 74 104.217 -21.151 13.326 626 HG3 LYS 74 HG1 LYS 74 103.631 -22.434 12.266 627 HD2 LYS 74 HD2 LYS 74 106.058 -22.598 12.458 628 HD3 LYS 74 HD1 LYS 74 105.637 -22.102 10.819 629 HE2 LYS 74 HE2 LYS 74 106.201 -19.817 11.267 630 HE3 LYS 74 HE1 LYS 74 106.324 -20.121 13.000 631 HZ1 LYS 74 HZ1 LYS 74 108.149 -21.727 12.420 632 HZ2 LYS 74 HZ2 LYS 74 108.511 -20.084 12.181 633 HZ3 LYS 74 HZ3 LYS 74 108.128 -21.075 10.854 634 H VAL 75 HN VAL 75 102.551 -20.293 8.629 635 HA VAL 75 HA VAL 75 102.079 -18.307 7.429 636 HB VAL 75 HB VAL 75 99.460 -19.747 7.896 637 HG11 VAL 75 HG11 VAL 75 100.226 -17.434 6.145 638 HG12 VAL 75 HG12 VAL 75 98.731 -17.709 7.039 639 HG13 VAL 75 HG13 VAL 75 99.047 -18.604 5.552 640 HG21 VAL 75 HG21 VAL 75 101.550 -20.869 6.798 641 HG22 VAL 75 HG22 VAL 75 101.185 -19.820 5.427 642 HG23 VAL 75 HG23 VAL 75 99.993 -20.998 5.978 643 HA PRO 76 HA PRO 76 100.908 -15.646 11.019 644 HB2 PRO 76 HB2 PRO 76 102.493 -13.767 9.340 645 HB3 PRO 76 HB1 PRO 76 102.605 -14.097 11.080 646 HG2 PRO 76 HG2 PRO 76 104.445 -14.999 9.398 647 HG3 PRO 76 HG1 PRO 76 103.907 -15.969 10.778 648 HD2 PRO 76 HD2 PRO 76 103.193 -16.266 7.880 649 HD3 PRO 76 HD1 PRO 76 103.467 -17.532 9.097 650 H VAL 77 HN VAL 77 98.955 -14.696 10.982 651 HA VAL 77 HA VAL 77 97.764 -13.870 8.469 652 HB VAL 77 HB VAL 77 96.694 -13.835 11.301 653 HG11 VAL 77 HG11 VAL 77 95.645 -12.858 8.707 654 HG12 VAL 77 HG12 VAL 77 95.227 -12.366 10.348 655 HG13 VAL 77 HG13 VAL 77 94.526 -13.831 9.662 656 HG21 VAL 77 HG21 VAL 77 96.161 -16.003 10.969 657 HG22 VAL 77 HG22 VAL 77 97.162 -15.962 9.517 658 HG23 VAL 77 HG23 VAL 77 95.433 -15.634 9.405 659 H THR 78 HN THR 78 99.360 -12.406 11.164 660 HA THR 78 HA THR 78 98.378 -9.856 11.305 661 HB THR 78 HB THR 78 100.552 -9.147 12.027 662 HG1 THR 78 HG1 THR 78 102.096 -9.769 10.755 663 HG21 THR 78 HG21 THR 78 100.864 -11.973 12.810 664 HG22 THR 78 HG22 THR 78 99.254 -11.311 13.084 665 HG23 THR 78 HG23 THR 78 100.659 -10.541 13.818 666 H ALA 79 HN ALA 79 100.104 -11.327 8.661 667 HA ALA 79 HA ALA 79 100.983 -9.064 7.271 668 HB1 ALA 79 HB1 ALA 79 100.294 -10.745 5.250 669 HB2 ALA 79 HB2 ALA 79 100.369 -11.874 6.602 670 HB3 ALA 79 HB3 ALA 79 101.778 -10.897 6.191 671 H PHE 80 HN PHE 80 97.792 -10.445 7.613 672 HA PHE 80 HA PHE 80 96.535 -9.180 5.419 673 HB2 PHE 80 HB2 PHE 80 95.536 -11.047 6.719 674 HB3 PHE 80 HB1 PHE 80 95.315 -9.948 8.081 675 HD1 PHE 80 HD1 PHE 80 94.439 -10.441 4.485 676 HD2 PHE 80 HD2 PHE 80 93.443 -8.509 8.189 677 HE1 PHE 80 HE1 PHE 80 92.315 -9.634 3.493 678 HE2 PHE 80 HE2 PHE 80 91.318 -7.702 7.197 679 HZ PHE 80 HZ PHE 80 90.754 -8.265 4.849 680 H SER 81 HN SER 81 97.142 -8.148 8.745 681 HA SER 81 HA SER 81 95.547 -5.800 8.658 682 HB2 SER 81 HB2 SER 81 97.976 -6.379 10.368 683 HB3 SER 81 HB1 SER 81 96.764 -5.138 10.670 684 HG SER 81 HG SER 81 95.226 -6.777 10.901 685 H TYR 82 HN TYR 82 98.938 -6.458 7.906 686 HA TYR 82 HA TYR 82 99.888 -3.856 7.632 687 HB2 TYR 82 HB2 TYR 82 100.634 -6.507 6.522 688 HB3 TYR 82 HB1 TYR 82 101.272 -5.093 5.685 689 HD1 TYR 82 HD1 TYR 82 102.622 -3.397 6.944 690 HD2 TYR 82 HD2 TYR 82 101.419 -7.129 8.699 691 HE1 TYR 82 HE1 TYR 82 104.320 -3.105 8.728 692 HE2 TYR 82 HE2 TYR 82 103.117 -6.837 10.483 693 HH TYR 82 HH TYR 82 105.454 -4.199 10.382 694 H TRP 83 HN TRP 83 98.444 -5.949 5.130 695 HA TRP 83 HA TRP 83 98.579 -4.093 3.025 696 HB2 TRP 83 HB2 TRP 83 96.378 -6.133 3.321 697 HB3 TRP 83 HB1 TRP 83 97.133 -5.541 1.840 698 HD1 TRP 83 HD1 TRP 83 100.106 -5.800 3.454 699 HE1 TRP 83 HE1 TRP 83 101.194 -8.137 3.391 700 HE3 TRP 83 HE3 TRP 83 96.033 -8.640 2.259 701 HZ2 TRP 83 HZ2 TRP 83 100.439 -10.850 2.898 702 HZ3 TRP 83 HZ3 TRP 83 96.245 -11.096 1.999 703 HH2 TRP 83 HH2 TRP 83 98.441 -12.204 2.317 704 H ASN 84 HN ASN 84 96.057 -4.697 5.440 705 HA ASN 84 HA ASN 84 94.130 -2.933 4.330 706 HB2 ASN 84 HB2 ASN 84 94.528 -4.128 7.066 707 HB3 ASN 84 HB1 ASN 84 93.222 -2.989 6.741 708 HD21 ASN 84 HD21 ASN 84 92.233 -5.376 7.425 709 HD22 ASN 84 HD22 ASN 84 91.738 -6.287 6.080 710 H LEU 85 HN LEU 85 96.594 -2.527 6.857 711 HA LEU 85 HA LEU 85 95.873 0.148 7.513 712 HB2 LEU 85 HB2 LEU 85 97.169 -1.310 9.030 713 HB3 LEU 85 HB1 LEU 85 98.522 -1.267 7.898 714 HG LEU 85 HG LEU 85 98.621 1.198 8.129 715 HD11 LEU 85 HD11 LEU 85 96.178 0.652 9.743 716 HD12 LEU 85 HD12 LEU 85 96.562 2.035 8.719 717 HD13 LEU 85 HD13 LEU 85 97.260 1.913 10.335 718 HD21 LEU 85 HD21 LEU 85 98.633 -0.162 10.840 719 HD22 LEU 85 HD22 LEU 85 99.600 1.227 10.341 720 HD23 LEU 85 HD23 LEU 85 99.914 -0.362 9.644 721 H ILE 86 HN ILE 86 98.588 -1.176 5.607 722 HA ILE 86 HA ILE 86 99.619 1.296 4.754 723 HB ILE 86 HB ILE 86 99.864 -1.534 3.880 724 HG12 ILE 86 HG12 ILE 86 102.102 0.439 4.019 725 HG13 ILE 86 HG11 ILE 86 101.297 0.018 5.531 726 HG21 ILE 86 HG21 ILE 86 101.361 -0.602 1.969 727 HG22 ILE 86 HG22 ILE 86 100.393 0.864 2.131 728 HG23 ILE 86 HG23 ILE 86 99.618 -0.662 1.704 729 HD11 ILE 86 HD11 ILE 86 102.483 -1.962 3.561 730 HD12 ILE 86 HD12 ILE 86 101.690 -2.373 5.083 731 HD13 ILE 86 HD13 ILE 86 103.212 -1.483 5.093 732 H LYS 87 HN LYS 87 97.172 -0.834 3.332 733 HA LYS 87 HA LYS 87 96.792 0.342 0.867 734 HB2 LYS 87 HB2 LYS 87 95.534 -1.604 1.354 735 HB3 LYS 87 HB1 LYS 87 94.823 -0.880 2.797 736 HG2 LYS 87 HG2 LYS 87 93.494 0.629 1.493 737 HG3 LYS 87 HG1 LYS 87 94.368 0.224 0.017 738 HD2 LYS 87 HD2 LYS 87 93.513 -2.091 0.145 739 HD3 LYS 87 HD1 LYS 87 92.628 -1.679 1.614 740 HE2 LYS 87 HE2 LYS 87 91.271 -0.066 0.413 741 HE3 LYS 87 HE1 LYS 87 92.234 -0.284 -1.048 742 HZ1 LYS 87 HZ1 LYS 87 90.324 -1.600 -1.321 743 HZ2 LYS 87 HZ2 LYS 87 90.425 -2.236 0.251 744 HZ3 LYS 87 HZ3 LYS 87 91.562 -2.690 -0.927 745 H GLU 88 HN GLU 88 95.255 1.280 3.946 746 HA GLU 88 HA GLU 88 94.056 3.623 2.710 747 HB2 GLU 88 HB2 GLU 88 92.751 3.773 4.593 748 HB3 GLU 88 HB1 GLU 88 93.164 2.060 4.681 749 HG2 GLU 88 HG2 GLU 88 93.689 2.795 6.838 750 HG3 GLU 88 HG1 GLU 88 95.249 2.901 6.023 751 H LEU 89 HN LEU 89 96.953 2.812 4.338 752 HA LEU 89 HA LEU 89 97.547 5.148 5.752 753 HB2 LEU 89 HB2 LEU 89 98.868 3.031 5.838 754 HB3 LEU 89 HB1 LEU 89 99.513 3.412 4.240 755 HG LEU 89 HG LEU 89 100.408 5.547 5.126 756 HD11 LEU 89 HD11 LEU 89 99.221 6.260 6.953 757 HD12 LEU 89 HD12 LEU 89 100.463 5.362 7.825 758 HD13 LEU 89 HD13 LEU 89 98.895 4.619 7.509 759 HD21 LEU 89 HD21 LEU 89 101.659 3.903 7.115 760 HD22 LEU 89 HD22 LEU 89 102.281 4.361 5.529 761 HD23 LEU 89 HD23 LEU 89 101.307 2.903 5.706 762 H ILE 90 HN ILE 90 98.082 4.343 2.339 763 HA ILE 90 HA ILE 90 99.520 6.667 1.641 764 HB ILE 90 HB ILE 90 97.751 4.841 0.003 765 HG12 ILE 90 HG12 ILE 90 100.750 5.105 0.387 766 HG13 ILE 90 HG11 ILE 90 99.735 3.749 0.882 767 HG21 ILE 90 HG21 ILE 90 99.571 7.115 -0.838 768 HG22 ILE 90 HG22 ILE 90 97.837 6.977 -1.132 769 HG23 ILE 90 HG23 ILE 90 98.960 5.888 -1.948 770 HD11 ILE 90 HD11 ILE 90 100.706 4.499 -1.836 771 HD12 ILE 90 HD12 ILE 90 99.090 3.801 -1.721 772 HD13 ILE 90 HD13 ILE 90 100.483 2.901 -1.123 773 H ASP 91 HN ASP 91 96.047 5.944 1.626 774 HA ASP 91 HA ASP 91 95.235 8.407 0.462 775 HB2 ASP 91 HB2 ASP 91 93.774 6.372 2.150 776 HB3 ASP 91 HB1 ASP 91 92.991 7.792 1.459 777 H LYS 92 HN LYS 92 96.522 7.680 3.491 778 HA LYS 92 HA LYS 92 95.098 9.461 5.167 779 HB2 LYS 92 HB2 LYS 92 96.866 7.600 5.729 780 HB3 LYS 92 HB1 LYS 92 98.018 8.926 5.564 781 HG2 LYS 92 HG2 LYS 92 96.838 10.228 7.247 782 HG3 LYS 92 HG1 LYS 92 95.568 9.008 7.347 783 HD2 LYS 92 HD2 LYS 92 97.244 7.348 8.118 784 HD3 LYS 92 HD1 LYS 92 98.484 8.601 8.071 785 HE2 LYS 92 HE2 LYS 92 97.232 9.922 9.727 786 HE3 LYS 92 HE1 LYS 92 95.969 8.693 9.762 787 HZ1 LYS 92 HZ1 LYS 92 97.433 7.132 10.694 788 HZ2 LYS 92 HZ2 LYS 92 97.698 8.565 11.566 789 HZ3 LYS 92 HZ3 LYS 92 98.800 8.080 10.367 790 H LYS 93 HN LYS 93 95.161 11.614 5.369 791 HA LYS 93 HA LYS 93 96.391 13.268 3.468 792 HB2 LYS 93 HB2 LYS 93 94.435 13.915 4.867 793 HB3 LYS 93 HB1 LYS 93 95.510 14.037 6.260 794 HG2 LYS 93 HG2 LYS 93 96.823 15.767 5.136 795 HG3 LYS 93 HG1 LYS 93 95.829 15.611 3.688 796 HD2 LYS 93 HD2 LYS 93 93.837 16.293 4.994 797 HD3 LYS 93 HD1 LYS 93 94.854 16.489 6.423 798 HE2 LYS 93 HE2 LYS 93 96.195 18.191 5.230 799 HE3 LYS 93 HE1 LYS 93 95.157 18.009 3.816 800 HZ1 LYS 93 HZ1 LYS 93 94.035 18.670 6.466 801 HZ2 LYS 93 HZ2 LYS 93 93.346 18.907 4.931 802 HZ3 LYS 93 HZ3 LYS 93 94.638 19.882 5.443 803 H GLU 94 HN GLU 94 97.530 12.021 6.527 804 HA GLU 94 HA GLU 94 99.709 13.853 6.832 805 HB2 GLU 94 HB2 GLU 94 99.163 11.133 8.038 806 HB3 GLU 94 HB1 GLU 94 100.524 12.158 8.496 807 HG2 GLU 94 HG2 GLU 94 99.011 13.930 9.203 808 HG3 GLU 94 HG1 GLU 94 97.618 13.011 8.633 809 H VAL 95 HN VAL 95 99.959 13.250 4.274 810 HA VAL 95 HA VAL 95 101.707 10.983 3.837 811 HB VAL 95 HB VAL 95 101.831 11.847 1.522 812 HG11 VAL 95 HG11 VAL 95 98.943 12.105 2.202 813 HG12 VAL 95 HG12 VAL 95 99.748 10.617 2.703 814 HG13 VAL 95 HG13 VAL 95 99.729 11.080 1.000 815 HG21 VAL 95 HG21 VAL 95 101.764 14.255 2.077 816 HG22 VAL 95 HG22 VAL 95 100.099 14.081 2.632 817 HG23 VAL 95 HG23 VAL 95 100.490 13.840 0.930 818 H ASN 96 HN ASN 96 103.731 11.620 2.368 819 HA ASN 96 HA ASN 96 105.191 13.805 3.717 820 HB2 ASN 96 HB2 ASN 96 106.748 12.415 4.541 821 HB3 ASN 96 HB1 ASN 96 105.653 11.090 4.148 822 HD21 ASN 96 HD21 ASN 96 106.677 9.511 2.924 823 HD22 ASN 96 HD22 ASN 96 107.893 9.801 1.777 824 HA PRO 97 HA PRO 97 106.726 15.569 0.073 825 HB2 PRO 97 HB2 PRO 97 109.362 14.214 0.501 826 HB3 PRO 97 HB1 PRO 97 109.015 15.917 0.143 827 HG2 PRO 97 HG2 PRO 97 109.587 14.941 2.633 828 HG3 PRO 97 HG1 PRO 97 108.687 16.432 2.316 829 HD2 PRO 97 HD2 PRO 97 107.687 13.955 3.521 830 HD3 PRO 97 HD1 PRO 97 106.801 15.478 3.295 831 H GLN 98 HN GLN 98 107.593 12.175 0.570 832 HA GLN 98 HA GLN 98 108.328 11.345 -1.934 833 HB2 GLN 98 HB2 GLN 98 107.720 9.171 -1.299 834 HB3 GLN 98 HB1 GLN 98 107.998 9.979 0.243 835 HG2 GLN 98 HG2 GLN 98 105.480 10.540 0.193 836 HG3 GLN 98 HG1 GLN 98 105.365 9.321 -1.075 837 HE21 GLN 98 HE21 GLN 98 103.962 8.703 1.185 838 HE22 GLN 98 HE22 GLN 98 104.770 7.527 2.107 839 H VAL 99 HN VAL 99 105.376 12.771 -1.071 840 HA VAL 99 HA VAL 99 103.582 11.536 -2.862 841 HB VAL 99 HB VAL 99 103.659 14.349 -1.750 842 HG11 VAL 99 HG11 VAL 99 102.247 14.637 -3.571 843 HG12 VAL 99 HG12 VAL 99 101.099 14.052 -2.367 844 HG13 VAL 99 HG13 VAL 99 101.743 12.947 -3.581 845 HG21 VAL 99 HG21 VAL 99 102.676 13.459 0.082 846 HG22 VAL 99 HG22 VAL 99 103.133 11.878 -0.551 847 HG23 VAL 99 HG23 VAL 99 101.536 12.538 -0.899 848 H MET 100 HN MET 100 105.665 14.397 -3.237 849 HA MET 100 HA MET 100 104.884 14.981 -5.900 850 HB2 MET 100 HB2 MET 100 107.300 15.695 -4.243 851 HB3 MET 100 HB1 MET 100 107.139 16.213 -5.922 852 HG2 MET 100 HG2 MET 100 104.955 17.261 -5.369 853 HG3 MET 100 HG1 MET 100 105.179 16.796 -3.682 854 HE1 MET 100 HE1 MET 100 108.279 17.395 -2.966 855 HE2 MET 100 HE2 MET 100 106.710 17.496 -2.170 856 HE3 MET 100 HE3 MET 100 107.762 18.909 -2.212 857 H ALA 101 HN ALA 101 107.372 12.911 -4.512 858 HA ALA 101 HA ALA 101 108.536 12.302 -7.100 859 HB1 ALA 101 HB1 ALA 101 109.023 11.063 -4.381 860 HB2 ALA 101 HB2 ALA 101 109.955 12.382 -5.091 861 HB3 ALA 101 HB3 ALA 101 109.988 10.780 -5.830 862 H ALA 102 HN ALA 102 106.014 11.105 -5.093 863 HA ALA 102 HA ALA 102 106.010 8.395 -5.997 864 HB1 ALA 102 HB1 ALA 102 104.892 8.921 -3.935 865 HB2 ALA 102 HB2 ALA 102 103.662 8.403 -5.087 866 HB3 ALA 102 HB3 ALA 102 103.870 10.117 -4.732 867 H VAL 103 HN VAL 103 104.063 11.251 -6.874 868 HA VAL 103 HA VAL 103 102.447 10.157 -8.826 869 HB VAL 103 HB VAL 103 103.742 12.879 -8.652 870 HG11 VAL 103 HG11 VAL 103 101.869 13.468 -10.327 871 HG12 VAL 103 HG12 VAL 103 101.814 11.741 -10.680 872 HG13 VAL 103 HG13 VAL 103 103.295 12.654 -10.969 873 HG21 VAL 103 HG21 VAL 103 100.843 12.675 -8.473 874 HG22 VAL 103 HG22 VAL 103 101.984 13.373 -7.323 875 HG23 VAL 103 HG23 VAL 103 101.631 11.646 -7.277 876 H ALA 104 HN ALA 104 105.855 10.546 -8.862 877 HA ALA 104 HA ALA 104 106.360 10.770 -11.621 878 HB1 ALA 104 HB1 ALA 104 108.079 9.220 -9.684 879 HB2 ALA 104 HB2 ALA 104 108.023 10.983 -9.696 880 HB3 ALA 104 HB3 ALA 104 108.587 10.108 -11.120 881 H GLN 105 HN GLN 105 105.781 7.954 -9.562 882 HA GLN 105 HA GLN 105 105.600 5.704 -10.075 883 HB2 GLN 105 HB2 GLN 105 104.044 6.980 -12.338 884 HB3 GLN 105 HB1 GLN 105 103.944 5.280 -11.878 885 HG2 GLN 105 HG2 GLN 105 103.181 5.911 -9.632 886 HG3 GLN 105 HG1 GLN 105 103.319 7.618 -10.052 887 HE21 GLN 105 HE21 GLN 105 100.874 7.485 -9.444 888 HE22 GLN 105 HE22 GLN 105 99.803 7.083 -10.698 889 H THR 106 HN THR 106 105.088 5.134 -13.111 890 HA THR 106 HA THR 106 107.660 4.105 -13.670 891 HB THR 106 HB THR 106 105.503 4.684 -15.705 892 HG1 THR 106 HG1 THR 106 105.448 2.194 -14.799 893 HG21 THR 106 HG21 THR 106 107.220 2.247 -15.682 894 HG22 THR 106 HG22 THR 106 107.979 3.770 -16.148 895 HG23 THR 106 HG23 THR 106 106.590 3.165 -17.049 896 H GLU 107 HN GLU 107 105.921 6.922 -14.991 897 HA GLU 107 HA GLU 107 108.519 8.152 -15.608 898 HB2 GLU 107 HB2 GLU 107 106.223 7.891 -17.564 899 HB3 GLU 107 HB1 GLU 107 107.656 8.887 -17.819 900 HG2 GLU 107 HG2 GLU 107 109.085 6.889 -17.638 901 HG3 GLU 107 HG1 GLU 107 107.659 5.888 -17.372 902 H GLU 108 HN GLU 108 108.385 10.475 -15.916 903 HA GLU 108 HA GLU 108 106.487 11.680 -14.105 904 HB2 GLU 108 HB2 GLU 108 108.707 12.826 -15.808 905 HB3 GLU 108 HB1 GLU 108 107.707 13.793 -14.724 906 HG2 GLU 108 HG2 GLU 108 108.396 12.359 -12.826 907 HG3 GLU 108 HG1 GLU 108 109.427 11.432 -13.914 908 H ILE 109 HN ILE 109 104.588 12.550 -14.625 909 HA ILE 109 HA ILE 109 103.423 12.414 -17.148 910 HB ILE 109 HB ILE 109 101.751 14.025 -16.258 911 HG12 ILE 109 HG12 ILE 109 103.557 14.110 -13.822 912 HG13 ILE 109 HG11 ILE 109 103.467 15.405 -15.017 913 HG21 ILE 109 HG21 ILE 109 101.368 11.760 -15.658 914 HG22 ILE 109 HG22 ILE 109 101.254 12.647 -14.138 915 HG23 ILE 109 HG23 ILE 109 102.720 11.748 -14.526 916 HD11 ILE 109 HD11 ILE 109 101.251 14.395 -13.219 917 HD12 ILE 109 HD12 ILE 109 100.958 15.458 -14.596 918 HD13 ILE 109 HD13 ILE 109 101.960 16.010 -13.253 919 H LEU 110 HN LEU 110 105.537 14.820 -15.785 920 HA LEU 110 HA LEU 110 104.981 16.976 -17.515 921 HB2 LEU 110 HB2 LEU 110 107.578 16.193 -16.169 922 HB3 LEU 110 HB1 LEU 110 107.259 17.755 -16.925 923 HG LEU 110 HG LEU 110 105.610 16.582 -14.668 924 HD11 LEU 110 HD11 LEU 110 106.748 18.612 -13.464 925 HD12 LEU 110 HD12 LEU 110 107.974 18.442 -14.721 926 HD13 LEU 110 HD13 LEU 110 107.642 17.101 -13.625 927 HD21 LEU 110 HD21 LEU 110 104.183 18.106 -15.660 928 HD22 LEU 110 HD22 LEU 110 105.502 19.057 -16.339 929 HD23 LEU 110 HD23 LEU 110 105.094 19.210 -14.631 930 H LYS 111 HN LYS 111 107.169 14.208 -17.820 931 HA LYS 111 HA LYS 111 108.385 15.047 -20.251 932 HB2 LYS 111 HB2 LYS 111 109.371 13.341 -18.752 933 HB3 LYS 111 HB1 LYS 111 108.054 12.241 -19.159 934 HG2 LYS 111 HG2 LYS 111 108.708 12.339 -21.539 935 HG3 LYS 111 HG1 LYS 111 110.033 13.428 -21.128 936 HD2 LYS 111 HD2 LYS 111 110.997 11.685 -19.655 937 HD3 LYS 111 HD1 LYS 111 109.688 10.593 -20.108 938 HE2 LYS 111 HE2 LYS 111 110.392 10.724 -22.470 939 HE3 LYS 111 HE1 LYS 111 111.702 11.815 -22.018 940 HZ1 LYS 111 HZ1 LYS 111 111.711 9.471 -20.412 941 HZ2 LYS 111 HZ2 LYS 111 112.947 10.112 -21.387 942 HZ3 LYS 111 HZ3 LYS 111 111.786 9.069 -22.058 943 H SER 112 HN SER 112 105.588 13.008 -19.499 944 HA SER 112 HA SER 112 105.081 12.134 -22.144 945 HB2 SER 112 HB2 SER 112 102.810 11.610 -21.282 946 HB3 SER 112 HB1 SER 112 104.087 11.005 -20.233 947 HG SER 112 HG SER 112 102.547 13.371 -19.919 948 H ASN 113 HN ASN 113 103.854 14.883 -20.259 949 HA ASN 113 HA ASN 113 102.043 15.857 -22.190 950 HB2 ASN 113 HB2 ASN 113 103.595 17.426 -20.119 951 HB3 ASN 113 HB1 ASN 113 102.130 17.954 -20.943 952 HD21 ASN 113 HD21 ASN 113 102.799 17.188 -17.980 953 HD22 ASN 113 HD22 ASN 113 101.530 16.140 -17.565 954 H SER 114 HN SER 114 105.487 16.471 -21.650 955 HA SER 114 HA SER 114 105.830 17.259 -24.404 956 HB2 SER 114 HB2 SER 114 106.825 19.492 -23.800 957 HB3 SER 114 HB1 SER 114 105.078 19.392 -23.597 958 HG SER 114 HG SER 114 105.469 19.964 -21.618 959 H GLN 115 HN GLN 115 108.094 17.575 -24.954 960 HA GLN 115 HA GLN 115 109.845 16.072 -23.121 961 HB2 GLN 115 HB2 GLN 115 111.242 15.670 -25.116 962 HB3 GLN 115 HB1 GLN 115 109.586 15.114 -25.362 963 HG2 GLN 115 HG2 GLN 115 109.042 17.141 -26.601 964 HG3 GLN 115 HG1 GLN 115 110.640 17.807 -26.269 965 HE21 GLN 115 HE21 GLN 115 109.206 16.884 -28.881 966 HE22 GLN 115 HE22 GLN 115 110.365 15.891 -29.625 967 H THR 116 HN THR 116 109.124 19.092 -23.286 968 HA THR 116 HA THR 116 111.442 20.516 -24.027 969 HB THR 116 HB THR 116 109.569 21.350 -21.815 970 HG1 THR 116 HG1 THR 116 109.078 21.971 -24.489 971 HG21 THR 116 HG21 THR 116 110.761 23.036 -24.006 972 HG22 THR 116 HG22 THR 116 111.692 22.651 -22.559 973 HG23 THR 116 HG23 THR 116 110.175 23.539 -22.420 974 H ASP 117 HN ASP 117 110.400 19.191 -20.897 975 HA ASP 117 HA ASP 117 112.600 20.159 -19.399 976 HB2 ASP 117 HB2 ASP 117 110.582 17.972 -18.999 977 HB3 ASP 117 HB1 ASP 117 111.935 18.146 -17.884 978 H LEU 118 HN LEU 118 112.042 17.145 -21.169 979 HA LEU 118 HA LEU 118 114.908 16.502 -20.810 980 HB2 LEU 118 HB2 LEU 118 112.601 14.557 -21.065 981 HB3 LEU 118 HB1 LEU 118 114.304 14.126 -20.908 982 HG LEU 118 HG LEU 118 112.722 15.716 -18.866 983 HD11 LEU 118 HD11 LEU 118 113.154 12.830 -19.294 984 HD12 LEU 118 HD12 LEU 118 111.917 13.653 -18.344 985 HD13 LEU 118 HD13 LEU 118 113.521 13.384 -17.662 986 HD21 LEU 118 HD21 LEU 118 114.911 16.376 -18.489 987 HD22 LEU 118 HD22 LEU 118 115.585 14.892 -19.160 988 HD23 LEU 118 HD23 LEU 118 114.885 14.889 -17.542 989 H GLU 119 HN GLU 119 116.010 16.585 -22.650 990 HA GLU 119 HA GLU 119 114.540 16.302 -25.195 991 HB2 GLU 119 HB2 GLU 119 117.227 17.582 -24.635 992 HB3 GLU 119 HB1 GLU 119 116.428 17.514 -26.205 993 HG2 GLU 119 HG2 GLU 119 115.800 19.629 -25.420 994 HG3 GLU 119 HG1 GLU 119 114.424 18.630 -24.955 995 H HIS 120 HN HIS 120 114.937 14.614 -26.484 996 HA HIS 120 HA HIS 120 117.261 12.899 -25.843 997 HB2 HIS 120 HB2 HIS 120 114.557 12.186 -27.002 998 HB3 HIS 120 HB1 HIS 120 115.912 11.062 -26.884 999 HD1 HIS 120 HD1 HIS 120 116.891 10.768 -24.338 1000 HD2 HIS 120 HD2 HIS 120 113.038 12.320 -24.689 1001 HE1 HIS 120 HE1 HIS 120 115.803 10.503 -22.066 1002 HE2 HIS 120 HE2 HIS 120 113.453 11.445 -22.265 1003 H HIS 121 HN HIS 121 118.788 12.723 -27.349 1004 HA HIS 121 HA HIS 121 118.125 13.535 -30.116 1005 HB2 HIS 121 HB2 HIS 121 120.740 13.709 -28.602 1006 HB3 HIS 121 HB1 HIS 121 120.562 14.058 -30.322 1007 HD1 HIS 121 HD1 HIS 121 120.265 15.603 -27.032 1008 HD2 HIS 121 HD2 HIS 121 118.617 16.271 -30.803 1009 HE1 HIS 121 HE1 HIS 121 119.307 17.947 -26.990 1010 HE2 HIS 121 HE2 HIS 121 118.298 18.369 -29.282 1011 H HIS 122 HN HIS 122 118.964 12.316 -31.833 1012 HA HIS 122 HA HIS 122 119.229 9.505 -31.318 1013 HB2 HIS 122 HB2 HIS 122 119.191 11.260 -33.729 1014 HB3 HIS 122 HB1 HIS 122 119.900 9.653 -33.890 1015 HD1 HIS 122 HD1 HIS 122 116.670 11.323 -32.785 1016 HD2 HIS 122 HD2 HIS 122 118.036 7.583 -34.017 1017 HE1 HIS 122 HE1 HIS 122 114.618 9.862 -33.046 1018 HE2 HIS 122 HE2 HIS 122 115.435 7.577 -33.797 1019 H HIS 123 HN HIS 123 121.434 12.139 -32.100 1020 HA HIS 123 HA HIS 123 123.728 10.678 -32.735 1021 HB2 HIS 123 HB2 HIS 123 123.463 13.328 -31.295 1022 HB3 HIS 123 HB1 HIS 123 124.975 12.687 -31.938 1023 HD1 HIS 123 HD1 HIS 123 121.693 14.160 -32.991 1024 HD2 HIS 123 HD2 HIS 123 125.156 12.692 -34.790 1025 HE1 HIS 123 HE1 HIS 123 121.577 14.840 -35.429 1026 HE2 HIS 123 HE2 HIS 123 123.681 13.951 -36.539 1027 H HIS 124 HN HIS 124 122.418 11.628 -29.584 1028 HA HIS 124 HA HIS 124 124.594 10.651 -28.036 1029 HB2 HIS 124 HB2 HIS 124 121.816 11.559 -27.519 1030 HB3 HIS 124 HB1 HIS 124 122.536 10.503 -26.304 1031 HD1 HIS 124 HD1 HIS 124 124.720 11.357 -25.116 1032 HD2 HIS 124 HD2 HIS 124 122.946 14.144 -27.659 1033 HE1 HIS 124 HE1 HIS 124 125.790 13.591 -24.587 1034 HE2 HIS 124 HE2 HIS 124 124.718 15.302 -26.130 1035 H HIS 125 HN HIS 125 121.589 9.205 -29.203 1036 HA HIS 125 HA HIS 125 120.830 7.036 -29.213 1037 HB2 HIS 125 HB2 HIS 125 123.820 6.652 -29.263 1038 HB3 HIS 125 HB1 HIS 125 122.703 5.287 -29.322 1039 HD1 HIS 125 HD1 HIS 125 124.452 7.501 -31.513 1040 HD2 HIS 125 HD2 HIS 125 120.642 5.809 -31.544 1041 HE1 HIS 125 HE1 HIS 125 123.618 7.656 -33.899 1042 HE2 HIS 125 HE2 HIS 125 121.297 6.629 -33.934 Start of MODEL 8 1 H21 MYR 1 1H2 MYR 1 118.647 6.212 1.164 2 H22 MYR 1 2H2 MYR 1 118.105 7.283 2.262 3 H31 MYR 1 1H3 MYR 1 116.920 8.390 0.392 4 H32 MYR 1 2H3 MYR 1 117.237 7.053 -0.483 5 H41 MYR 1 1H4 MYR 1 115.451 6.128 0.351 6 H42 MYR 1 2H4 MYR 1 116.148 6.161 1.822 7 H51 MYR 1 1H5 MYR 1 115.285 8.563 1.817 8 H52 MYR 1 2H5 MYR 1 114.182 7.961 0.776 9 H61 MYR 1 1H6 MYR 1 114.670 6.753 3.348 10 H62 MYR 1 2H6 MYR 1 113.553 7.924 3.159 11 H71 MYR 1 1H7 MYR 1 112.314 6.546 1.719 12 H72 MYR 1 2H7 MYR 1 113.441 5.376 1.834 13 H81 MYR 1 1H8 MYR 1 112.877 5.291 4.231 14 H82 MYR 1 2H8 MYR 1 111.557 6.166 3.845 15 H91 MYR 1 1H9 MYR 1 111.547 4.018 2.191 16 H92 MYR 1 2H9 MYR 1 111.857 3.441 3.682 17 H101 MYR 1 1H10 MYR 1 109.859 4.821 4.357 18 H102 MYR 1 2H10 MYR 1 109.480 4.754 2.775 19 H111 MYR 1 1H11 MYR 1 109.624 2.288 3.004 20 H112 MYR 1 2H11 MYR 1 109.599 2.534 4.613 21 H121 MYR 1 1H12 MYR 1 107.430 2.813 4.608 22 H122 MYR 1 2H12 MYR 1 107.517 3.922 3.419 23 H131 MYR 1 1H13 MYR 1 106.580 2.475 2.081 24 H132 MYR 1 2H13 MYR 1 107.929 1.571 2.175 25 H141 MYR 1 1H14 MYR 1 105.858 0.399 2.761 26 H142 MYR 1 2H14 MYR 1 107.061 0.268 3.857 27 H143 MYR 1 3H14 MYR 1 105.829 1.308 4.119 28 H GLY 2 HN GLY 2 120.543 6.395 1.024 29 HA2 GLY 2 HA2 GLY 2 122.447 7.323 1.954 30 HA3 GLY 2 HA1 GLY 2 121.810 8.915 1.552 31 H GLN 3 HN GLN 3 121.853 10.082 3.388 32 HA GLN 3 HA GLN 3 121.712 9.077 6.003 33 HB2 GLN 3 HB2 GLN 3 121.021 11.828 4.939 34 HB3 GLN 3 HB1 GLN 3 121.237 11.437 6.646 35 HG2 GLN 3 HG2 GLN 3 123.349 10.996 4.516 36 HG3 GLN 3 HG1 GLN 3 123.296 12.396 5.584 37 HE21 GLN 3 HE21 GLN 3 124.917 9.568 5.282 38 HE22 GLN 3 HE22 GLN 3 125.164 9.183 6.917 39 H GLU 4 HN GLU 4 119.206 10.210 3.814 40 HA GLU 4 HA GLU 4 117.003 10.506 5.388 41 HB2 GLU 4 HB2 GLU 4 117.175 9.025 2.758 42 HB3 GLU 4 HB1 GLU 4 115.678 9.590 3.498 43 HG2 GLU 4 HG2 GLU 4 116.394 11.890 3.370 44 HG3 GLU 4 HG1 GLU 4 118.007 11.411 2.849 45 H LEU 5 HN LEU 5 118.861 7.673 4.955 46 HA LEU 5 HA LEU 5 117.205 5.543 5.308 47 HB2 LEU 5 HB2 LEU 5 119.693 5.387 5.239 48 HB3 LEU 5 HB1 LEU 5 119.751 5.990 6.894 49 HG LEU 5 HG LEU 5 118.384 4.042 7.634 50 HD11 LEU 5 HD11 LEU 5 117.126 3.275 5.848 51 HD12 LEU 5 HD12 LEU 5 118.459 2.122 5.800 52 HD13 LEU 5 HD13 LEU 5 118.439 3.493 4.690 53 HD21 LEU 5 HD21 LEU 5 120.161 2.327 7.295 54 HD22 LEU 5 HD22 LEU 5 120.811 3.892 7.784 55 HD23 LEU 5 HD23 LEU 5 120.914 3.381 6.098 56 H SER 6 HN SER 6 117.969 8.021 7.671 57 HA SER 6 HA SER 6 116.973 6.746 9.979 58 HB2 SER 6 HB2 SER 6 116.783 9.041 10.891 59 HB3 SER 6 HB1 SER 6 118.332 8.777 10.095 60 HG SER 6 HG SER 6 117.818 10.376 8.850 61 H GLN 7 HN GLN 7 115.407 8.568 7.408 62 HA GLN 7 HA GLN 7 112.920 9.051 8.534 63 HB2 GLN 7 HB2 GLN 7 113.694 9.826 6.271 64 HB3 GLN 7 HB1 GLN 7 113.412 8.190 5.676 65 HG2 GLN 7 HG2 GLN 7 111.052 8.333 6.281 66 HG3 GLN 7 HG1 GLN 7 111.305 9.926 6.990 67 HE21 GLN 7 HE21 GLN 7 109.603 9.082 4.606 68 HE22 GLN 7 HE22 GLN 7 110.134 10.072 3.335 69 H HIS 8 HN HIS 8 114.153 6.107 6.967 70 HA HIS 8 HA HIS 8 111.721 4.657 7.070 71 HB2 HIS 8 HB2 HIS 8 113.713 4.050 5.668 72 HB3 HIS 8 HB1 HIS 8 114.533 3.543 7.143 73 HD1 HIS 8 HD1 HIS 8 114.546 1.026 6.803 74 HD2 HIS 8 HD2 HIS 8 110.749 2.678 6.322 75 HE1 HIS 8 HE1 HIS 8 112.936 -0.920 6.614 76 HE2 HIS 8 HE2 HIS 8 110.617 0.071 6.324 77 H GLU 9 HN GLU 9 114.509 4.862 9.266 78 HA GLU 9 HA GLU 9 113.747 2.931 11.132 79 HB2 GLU 9 HB2 GLU 9 115.206 5.554 11.526 80 HB3 GLU 9 HB1 GLU 9 115.038 4.335 12.790 81 HG2 GLU 9 HG2 GLU 9 116.166 2.681 11.395 82 HG3 GLU 9 HG1 GLU 9 116.264 3.834 10.065 83 H ARG 10 HN ARG 10 112.401 6.044 10.484 84 HA ARG 10 HA ARG 10 110.980 6.228 13.013 85 HB2 ARG 10 HB2 ARG 10 110.646 7.850 10.480 86 HB3 ARG 10 HB1 ARG 10 109.908 8.205 12.040 87 HG2 ARG 10 HG2 ARG 10 112.092 8.477 13.083 88 HG3 ARG 10 HG1 ARG 10 112.900 8.011 11.587 89 HD2 ARG 10 HD2 ARG 10 112.918 10.434 11.772 90 HD3 ARG 10 HD1 ARG 10 111.844 9.967 10.456 91 HE ARG 10 HE ARG 10 110.428 10.226 12.932 92 HH11 ARG 10 HH11 ARG 10 109.051 12.020 13.133 93 HH12 ARG 10 HH12 ARG 10 109.226 13.366 12.056 94 HH21 ARG 10 HH21 ARG 10 111.869 11.959 10.307 95 HH22 ARG 10 HH22 ARG 10 110.823 13.331 10.456 96 H TYR 11 HN TYR 11 110.062 5.754 9.599 97 HA TYR 11 HA TYR 11 107.334 5.277 10.054 98 HB2 TYR 11 HB2 TYR 11 108.470 5.663 7.820 99 HB3 TYR 11 HB1 TYR 11 108.980 3.977 7.882 100 HD1 TYR 11 HD1 TYR 11 107.439 2.189 7.425 101 HD2 TYR 11 HD2 TYR 11 106.022 6.223 7.836 102 HE1 TYR 11 HE1 TYR 11 105.220 1.496 6.570 103 HE2 TYR 11 HE2 TYR 11 103.800 5.529 6.980 104 HH TYR 11 HH TYR 11 103.146 2.130 6.115 105 H VAL 12 HN VAL 12 110.122 3.137 10.175 106 HA VAL 12 HA VAL 12 108.677 0.681 10.357 107 HB VAL 12 HB VAL 12 111.446 1.552 11.110 108 HG11 VAL 12 HG11 VAL 12 111.766 -0.994 11.548 109 HG12 VAL 12 HG12 VAL 12 110.030 -1.003 11.849 110 HG13 VAL 12 HG13 VAL 12 111.093 -0.003 12.841 111 HG21 VAL 12 HG21 VAL 12 110.795 1.054 8.742 112 HG22 VAL 12 HG22 VAL 12 110.390 -0.588 9.241 113 HG23 VAL 12 HG23 VAL 12 112.055 -0.017 9.355 114 H GLU 13 HN GLU 13 110.256 2.588 12.941 115 HA GLU 13 HA GLU 13 109.074 1.043 15.034 116 HB2 GLU 13 HB2 GLU 13 110.457 3.726 15.017 117 HB3 GLU 13 HB1 GLU 13 109.893 2.934 16.489 118 HG2 GLU 13 HG2 GLU 13 111.296 0.985 16.016 119 HG3 GLU 13 HG1 GLU 13 111.812 1.703 14.490 120 H GLN 14 HN GLN 14 108.131 3.917 13.309 121 HA GLN 14 HA GLN 14 106.090 4.700 15.176 122 HB2 GLN 14 HB2 GLN 14 107.239 6.293 13.641 123 HB3 GLN 14 HB1 GLN 14 106.445 5.502 12.281 124 HG2 GLN 14 HG2 GLN 14 105.181 7.496 12.901 125 HG3 GLN 14 HG1 GLN 14 104.228 6.067 13.333 126 HE21 GLN 14 HE21 GLN 14 103.135 6.839 15.211 127 HE22 GLN 14 HE22 GLN 14 103.941 7.416 16.589 128 H LEU 15 HN LEU 15 105.679 3.883 11.741 129 HA LEU 15 HA LEU 15 103.030 3.341 11.713 130 HB2 LEU 15 HB2 LEU 15 104.944 3.023 9.869 131 HB3 LEU 15 HB1 LEU 15 104.752 1.334 10.320 132 HG LEU 15 HG LEU 15 103.289 1.835 8.436 133 HD11 LEU 15 HD11 LEU 15 102.516 0.428 10.485 134 HD12 LEU 15 HD12 LEU 15 101.329 0.924 9.281 135 HD13 LEU 15 HD13 LEU 15 101.450 1.799 10.809 136 HD21 LEU 15 HD21 LEU 15 101.517 3.681 9.884 137 HD22 LEU 15 HD22 LEU 15 102.123 3.773 8.234 138 HD23 LEU 15 HD23 LEU 15 103.111 4.363 9.565 139 H LYS 16 HN LYS 16 105.569 1.069 12.752 140 HA LYS 16 HA LYS 16 103.822 -1.096 13.281 141 HB2 LYS 16 HB2 LYS 16 106.539 -0.348 14.356 142 HB3 LYS 16 HB1 LYS 16 105.707 -1.815 14.841 143 HG2 LYS 16 HG2 LYS 16 105.549 -2.512 12.483 144 HG3 LYS 16 HG1 LYS 16 106.388 -1.041 11.995 145 HD2 LYS 16 HD2 LYS 16 108.349 -1.713 13.307 146 HD3 LYS 16 HD1 LYS 16 107.521 -3.181 13.819 147 HE2 LYS 16 HE2 LYS 16 107.352 -3.901 11.464 148 HE3 LYS 16 HE1 LYS 16 108.193 -2.435 10.958 149 HZ1 LYS 16 HZ1 LYS 16 109.701 -3.627 12.976 150 HZ2 LYS 16 HZ2 LYS 16 110.100 -3.460 11.332 151 HZ3 LYS 16 HZ3 LYS 16 109.291 -4.851 11.877 152 H GLN 17 HN GLN 17 105.002 1.546 15.350 153 HA GLN 17 HA GLN 17 104.018 0.743 17.796 154 HB2 GLN 17 HB2 GLN 17 104.954 3.168 16.633 155 HB3 GLN 17 HB1 GLN 17 103.461 3.546 17.487 156 HG2 GLN 17 HG2 GLN 17 105.833 2.065 18.655 157 HG3 GLN 17 HG1 GLN 17 105.430 3.754 18.963 158 HE21 GLN 17 HE21 GLN 17 105.255 0.888 20.487 159 HE22 GLN 17 HE22 GLN 17 103.795 1.068 21.333 160 H ALA 18 HN ALA 18 102.266 2.630 15.324 161 HA ALA 18 HA ALA 18 99.816 2.719 16.703 162 HB1 ALA 18 HB1 ALA 18 99.679 4.186 14.974 163 HB2 ALA 18 HB2 ALA 18 99.035 2.798 14.099 164 HB3 ALA 18 HB3 ALA 18 100.739 3.230 13.942 165 H LEU 19 HN LEU 19 100.769 0.643 14.021 166 HA LEU 19 HA LEU 19 98.626 -1.055 13.840 167 HB2 LEU 19 HB2 LEU 19 101.522 -1.410 13.473 168 HB3 LEU 19 HB1 LEU 19 100.638 -2.919 13.711 169 HG LEU 19 HG LEU 19 99.751 -0.781 11.765 170 HD11 LEU 19 HD11 LEU 19 102.084 -2.341 11.492 171 HD12 LEU 19 HD12 LEU 19 101.230 -1.517 10.188 172 HD13 LEU 19 HD13 LEU 19 100.865 -3.201 10.555 173 HD21 LEU 19 HD21 LEU 19 99.083 -3.535 11.130 174 HD22 LEU 19 HD22 LEU 19 98.006 -2.162 11.372 175 HD23 LEU 19 HD23 LEU 19 98.529 -3.123 12.753 176 H LYS 20 HN LYS 20 101.243 -1.384 16.228 177 HA LYS 20 HA LYS 20 100.399 -3.635 17.549 178 HB2 LYS 20 HB2 LYS 20 102.474 -2.383 18.078 179 HB3 LYS 20 HB1 LYS 20 101.498 -1.138 18.852 180 HG2 LYS 20 HG2 LYS 20 100.612 -2.826 20.434 181 HG3 LYS 20 HG1 LYS 20 101.631 -4.051 19.677 182 HD2 LYS 20 HD2 LYS 20 103.637 -2.747 20.263 183 HD3 LYS 20 HD1 LYS 20 102.621 -1.520 21.020 184 HE2 LYS 20 HE2 LYS 20 101.751 -3.223 22.590 185 HE3 LYS 20 HE1 LYS 20 102.807 -4.429 21.852 186 HZ1 LYS 20 HZ1 LYS 20 103.707 -3.370 23.898 187 HZ2 LYS 20 HZ2 LYS 20 103.789 -1.900 23.049 188 HZ3 LYS 20 HZ3 LYS 20 104.716 -3.231 22.542 189 H THR 21 HN THR 21 99.137 -0.374 17.711 190 HA THR 21 HA THR 21 97.452 -0.690 19.956 191 HB THR 21 HB THR 21 98.045 1.409 18.428 192 HG1 THR 21 HG1 THR 21 95.751 0.887 19.978 193 HG21 THR 21 HG21 THR 21 96.619 0.387 16.533 194 HG22 THR 21 HG22 THR 21 96.320 2.072 16.944 195 HG23 THR 21 HG23 THR 21 95.221 0.822 17.521 196 H ARG 22 HN ARG 22 97.040 -1.605 16.587 197 HA ARG 22 HA ARG 22 94.246 -2.165 16.775 198 HB2 ARG 22 HB2 ARG 22 96.384 -2.623 14.738 199 HB3 ARG 22 HB1 ARG 22 94.918 -3.590 14.622 200 HG2 ARG 22 HG2 ARG 22 94.654 -0.632 15.018 201 HG3 ARG 22 HG1 ARG 22 95.068 -1.226 13.407 202 HD2 ARG 22 HD2 ARG 22 93.085 -2.718 13.492 203 HD3 ARG 22 HD1 ARG 22 92.667 -2.050 15.067 204 HE ARG 22 HE ARG 22 91.996 -0.069 14.012 205 HH11 ARG 22 HH11 ARG 22 91.350 1.050 12.144 206 HH12 ARG 22 HH12 ARG 22 91.820 0.463 10.583 207 HH21 ARG 22 HH21 ARG 22 93.555 -2.266 11.837 208 HH22 ARG 22 HH22 ARG 22 93.065 -1.415 10.411 209 H GLY 23 HN GLY 23 96.497 -3.494 18.504 210 HA2 GLY 23 HA2 GLY 23 96.162 -5.457 19.847 211 HA3 GLY 23 HA1 GLY 23 95.169 -6.123 18.553 212 H VAL 24 HN VAL 24 97.621 -4.909 16.883 213 HA VAL 24 HA VAL 24 98.819 -7.451 16.418 214 HB VAL 24 HB VAL 24 99.926 -4.773 15.579 215 HG11 VAL 24 HG11 VAL 24 100.220 -7.608 14.595 216 HG12 VAL 24 HG12 VAL 24 101.477 -6.432 14.983 217 HG13 VAL 24 HG13 VAL 24 100.509 -6.236 13.524 218 HG21 VAL 24 HG21 VAL 24 98.465 -5.714 13.444 219 HG22 VAL 24 HG22 VAL 24 97.915 -4.468 14.567 220 HG23 VAL 24 HG23 VAL 24 97.440 -6.148 14.814 221 H LYS 25 HN LYS 25 101.286 -7.699 16.456 222 HA LYS 25 HA LYS 25 102.365 -6.514 18.933 223 HB2 LYS 25 HB2 LYS 25 101.724 -8.942 19.154 224 HB3 LYS 25 HB1 LYS 25 102.930 -9.308 17.920 225 HG2 LYS 25 HG2 LYS 25 104.699 -8.358 19.310 226 HG3 LYS 25 HG1 LYS 25 103.516 -7.870 20.524 227 HD2 LYS 25 HD2 LYS 25 102.919 -10.210 20.926 228 HD3 LYS 25 HD1 LYS 25 104.038 -10.732 19.667 229 HE2 LYS 25 HE2 LYS 25 105.268 -11.016 21.663 230 HE3 LYS 25 HE1 LYS 25 105.844 -9.474 21.030 231 HZ1 LYS 25 HZ1 LYS 25 103.687 -8.774 22.509 232 HZ2 LYS 25 HZ2 LYS 25 105.305 -8.677 23.021 233 HZ3 LYS 25 HZ3 LYS 25 104.363 -10.031 23.426 234 H VAL 26 HN VAL 26 104.306 -5.527 18.733 235 HA VAL 26 HA VAL 26 105.842 -6.000 16.250 236 HB VAL 26 HB VAL 26 106.520 -3.656 16.334 237 HG11 VAL 26 HG11 VAL 26 104.068 -2.669 16.252 238 HG12 VAL 26 HG12 VAL 26 103.596 -4.361 16.364 239 HG13 VAL 26 HG13 VAL 26 104.599 -3.817 15.022 240 HG21 VAL 26 HG21 VAL 26 105.225 -3.868 18.992 241 HG22 VAL 26 HG22 VAL 26 104.909 -2.371 18.117 242 HG23 VAL 26 HG23 VAL 26 106.568 -2.849 18.476 243 H LYS 27 HN LYS 27 107.430 -7.333 16.902 244 HA LYS 27 HA LYS 27 108.976 -6.615 19.316 245 HB2 LYS 27 HB2 LYS 27 109.840 -8.989 19.119 246 HB3 LYS 27 HB1 LYS 27 108.141 -8.818 19.561 247 HG2 LYS 27 HG2 LYS 27 107.423 -9.297 17.321 248 HG3 LYS 27 HG1 LYS 27 109.076 -9.202 16.711 249 HD2 LYS 27 HD2 LYS 27 109.725 -11.180 17.900 250 HD3 LYS 27 HD1 LYS 27 108.200 -11.220 18.790 251 HE2 LYS 27 HE2 LYS 27 106.971 -11.624 16.697 252 HE3 LYS 27 HE1 LYS 27 108.476 -11.546 15.783 253 HZ1 LYS 27 HZ1 LYS 27 107.402 -13.681 17.390 254 HZ2 LYS 27 HZ2 LYS 27 109.043 -13.358 17.692 255 HZ3 LYS 27 HZ3 LYS 27 108.523 -13.740 16.119 256 H TYR 28 HN TYR 28 111.339 -7.118 19.180 257 HA TYR 28 HA TYR 28 112.554 -5.678 17.107 258 HB2 TYR 28 HB2 TYR 28 113.609 -6.106 19.297 259 HB3 TYR 28 HB1 TYR 28 113.787 -7.808 18.870 260 HD1 TYR 28 HD1 TYR 28 114.595 -4.386 17.582 261 HD2 TYR 28 HD2 TYR 28 115.740 -8.521 17.785 262 HE1 TYR 28 HE1 TYR 28 116.710 -3.858 16.399 263 HE2 TYR 28 HE2 TYR 28 117.857 -7.992 16.604 264 HH TYR 28 HH TYR 28 118.396 -4.965 15.071 265 H ALA 29 HN ALA 29 111.889 -9.109 17.453 266 HA ALA 29 HA ALA 29 113.423 -10.102 15.330 267 HB1 ALA 29 HB1 ALA 29 112.385 -12.096 15.682 268 HB2 ALA 29 HB2 ALA 29 110.790 -11.367 15.842 269 HB3 ALA 29 HB3 ALA 29 111.930 -11.300 17.187 270 H ASP 30 HN ASP 30 110.548 -8.241 15.343 271 HA ASP 30 HA ASP 30 109.560 -9.021 12.745 272 HB2 ASP 30 HB2 ASP 30 108.968 -6.593 14.450 273 HB3 ASP 30 HB1 ASP 30 108.155 -6.963 12.937 274 H LEU 31 HN LEU 31 111.696 -6.528 13.989 275 HA LEU 31 HA LEU 31 111.870 -5.044 11.539 276 HB2 LEU 31 HB2 LEU 31 113.573 -5.216 14.028 277 HB3 LEU 31 HB1 LEU 31 114.071 -4.241 12.651 278 HG LEU 31 HG LEU 31 111.556 -3.319 12.894 279 HD11 LEU 31 HD11 LEU 31 110.697 -3.396 15.066 280 HD12 LEU 31 HD12 LEU 31 112.266 -3.756 15.783 281 HD13 LEU 31 HD13 LEU 31 111.389 -5.008 14.901 282 HD21 LEU 31 HD21 LEU 31 113.998 -2.519 14.495 283 HD22 LEU 31 HD22 LEU 31 112.530 -1.543 14.424 284 HD23 LEU 31 HD23 LEU 31 113.452 -1.857 12.954 285 H LEU 32 HN LEU 32 113.738 -7.688 12.949 286 HA LEU 32 HA LEU 32 115.823 -7.694 11.057 287 HB2 LEU 32 HB2 LEU 32 114.605 -10.117 12.358 288 HB3 LEU 32 HB1 LEU 32 116.269 -9.924 11.795 289 HG LEU 32 HG LEU 32 114.972 -8.346 14.058 290 HD11 LEU 32 HD11 LEU 32 117.404 -9.945 14.553 291 HD12 LEU 32 HD12 LEU 32 115.980 -10.908 14.153 292 HD13 LEU 32 HD13 LEU 32 115.937 -9.797 15.522 293 HD21 LEU 32 HD21 LEU 32 117.570 -7.774 14.290 294 HD22 LEU 32 HD22 LEU 32 116.531 -6.836 13.217 295 HD23 LEU 32 HD23 LEU 32 117.563 -8.106 12.559 296 H LYS 33 HN LYS 33 112.663 -9.247 11.015 297 HA LYS 33 HA LYS 33 113.166 -10.543 8.465 298 HB2 LYS 33 HB2 LYS 33 111.788 -11.603 10.261 299 HB3 LYS 33 HB1 LYS 33 110.574 -10.350 9.997 300 HG2 LYS 33 HG2 LYS 33 110.355 -11.041 7.637 301 HG3 LYS 33 HG1 LYS 33 111.582 -12.283 7.887 302 HD2 LYS 33 HD2 LYS 33 110.159 -13.373 9.572 303 HD3 LYS 33 HD1 LYS 33 108.931 -12.125 9.353 304 HE2 LYS 33 HE2 LYS 33 108.336 -14.109 8.044 305 HE3 LYS 33 HE1 LYS 33 108.730 -12.773 6.963 306 HZ1 LYS 33 HZ1 LYS 33 110.488 -13.852 6.162 307 HZ2 LYS 33 HZ2 LYS 33 109.825 -15.247 6.869 308 HZ3 LYS 33 HZ3 LYS 33 111.011 -14.354 7.695 309 H PHE 34 HN PHE 34 110.950 -8.020 9.677 310 HA PHE 34 HA PHE 34 109.724 -7.458 7.206 311 HB2 PHE 34 HB2 PHE 34 108.838 -6.728 9.396 312 HB3 PHE 34 HB1 PHE 34 110.187 -5.602 9.558 313 HD1 PHE 34 HD1 PHE 34 107.392 -6.514 7.239 314 HD2 PHE 34 HD2 PHE 34 110.012 -3.429 8.678 315 HE1 PHE 34 HE1 PHE 34 106.154 -4.836 5.896 316 HE2 PHE 34 HE2 PHE 34 108.773 -1.751 7.335 317 HZ PHE 34 HZ PHE 34 106.843 -2.454 5.946 318 H PHE 35 HN PHE 35 112.623 -6.180 8.690 319 HA PHE 35 HA PHE 35 113.011 -4.125 6.670 320 HB2 PHE 35 HB2 PHE 35 113.852 -4.232 9.151 321 HB3 PHE 35 HB1 PHE 35 115.223 -5.095 8.455 322 HD1 PHE 35 HD1 PHE 35 114.040 -1.964 9.388 323 HD2 PHE 35 HD2 PHE 35 116.061 -3.890 6.114 324 HE1 PHE 35 HE1 PHE 35 114.926 0.224 8.639 325 HE2 PHE 35 HE2 PHE 35 116.939 -1.696 5.368 326 HZ PHE 35 HZ PHE 35 116.376 0.361 6.631 327 H ASP 36 HN ASP 36 114.661 -7.196 7.523 328 HA ASP 36 HA ASP 36 116.424 -7.184 5.318 329 HB2 ASP 36 HB2 ASP 36 116.627 -8.604 7.384 330 HB3 ASP 36 HB1 ASP 36 115.387 -9.654 6.696 331 H PHE 37 HN PHE 37 113.110 -8.246 5.663 332 HA PHE 37 HA PHE 37 112.875 -9.924 3.432 333 HB2 PHE 37 HB2 PHE 37 111.099 -9.861 5.041 334 HB3 PHE 37 HB1 PHE 37 110.859 -8.129 4.804 335 HD1 PHE 37 HD1 PHE 37 109.740 -7.286 2.800 336 HD2 PHE 37 HD2 PHE 37 110.384 -11.490 3.408 337 HE1 PHE 37 HE1 PHE 37 108.144 -7.795 0.971 338 HE2 PHE 37 HE2 PHE 37 108.787 -11.998 1.579 339 HZ PHE 37 HZ PHE 37 107.667 -10.154 0.363 340 H VAL 38 HN VAL 38 112.247 -6.423 3.756 341 HA VAL 38 HA VAL 38 111.607 -6.074 0.982 342 HB VAL 38 HB VAL 38 112.768 -3.703 2.196 343 HG11 VAL 38 HG11 VAL 38 110.426 -2.881 1.861 344 HG12 VAL 38 HG12 VAL 38 109.973 -4.505 1.341 345 HG13 VAL 38 HG13 VAL 38 111.145 -3.575 0.410 346 HG21 VAL 38 HG21 VAL 38 111.023 -3.565 4.005 347 HG22 VAL 38 HG22 VAL 38 112.319 -4.721 4.307 348 HG23 VAL 38 HG23 VAL 38 110.733 -5.285 3.764 349 H LYS 39 HN LYS 39 114.628 -5.921 2.799 350 HA LYS 39 HA LYS 39 116.286 -4.696 0.912 351 HB2 LYS 39 HB2 LYS 39 116.616 -6.508 3.167 352 HB3 LYS 39 HB1 LYS 39 117.871 -6.692 1.949 353 HG2 LYS 39 HG2 LYS 39 118.417 -4.326 2.073 354 HG3 LYS 39 HG1 LYS 39 117.046 -4.027 3.144 355 HD2 LYS 39 HD2 LYS 39 118.049 -5.404 4.878 356 HD3 LYS 39 HD1 LYS 39 119.378 -5.847 3.803 357 HE2 LYS 39 HE2 LYS 39 120.035 -3.457 3.658 358 HE3 LYS 39 HE1 LYS 39 118.738 -3.047 4.776 359 HZ1 LYS 39 HZ1 LYS 39 121.059 -3.394 5.725 360 HZ2 LYS 39 HZ2 LYS 39 120.786 -5.052 5.477 361 HZ3 LYS 39 HZ3 LYS 39 119.770 -4.166 6.511 362 H ASP 40 HN ASP 40 115.058 -7.997 0.996 363 HA ASP 40 HA ASP 40 116.677 -9.293 -0.795 364 HB2 ASP 40 HB2 ASP 40 113.671 -9.367 -0.570 365 HB3 ASP 40 HB1 ASP 40 114.598 -10.502 -1.549 366 H THR 41 HN THR 41 113.671 -7.647 -1.839 367 HA THR 41 HA THR 41 114.946 -7.184 -4.466 368 HB THR 41 HB THR 41 112.422 -6.873 -5.115 369 HG1 THR 41 HG1 THR 41 111.137 -8.254 -3.821 370 HG21 THR 41 HG21 THR 41 113.669 -9.569 -4.515 371 HG22 THR 41 HG22 THR 41 113.904 -8.626 -5.988 372 HG23 THR 41 HG23 THR 41 112.315 -9.292 -5.609 373 H CYS 42 HN CYS 42 113.383 -5.699 -1.763 374 HA CYS 42 HA CYS 42 112.957 -3.526 -1.201 375 HB2 CYS 42 HB2 CYS 42 115.359 -3.417 -2.944 376 HB3 CYS 42 HB1 CYS 42 114.525 -1.886 -2.690 377 HG CYS 42 HG CYS 42 114.847 -2.191 -0.116 378 HA PRO 43 HA PRO 43 110.562 -2.936 -5.197 379 HB2 PRO 43 HB2 PRO 43 108.227 -4.165 -4.586 380 HB3 PRO 43 HB1 PRO 43 109.603 -5.024 -5.303 381 HG2 PRO 43 HG2 PRO 43 108.640 -5.001 -2.504 382 HG3 PRO 43 HG1 PRO 43 109.390 -6.303 -3.434 383 HD2 PRO 43 HD2 PRO 43 110.688 -4.736 -1.544 384 HD3 PRO 43 HD1 PRO 43 111.455 -5.711 -2.816 385 H TRP 44 HN TRP 44 109.854 -2.567 -1.832 386 HA TRP 44 HA TRP 44 107.582 -0.864 -2.097 387 HB2 TRP 44 HB2 TRP 44 108.973 -2.097 0.012 388 HB3 TRP 44 HB1 TRP 44 109.068 -0.364 0.326 389 HD1 TRP 44 HD1 TRP 44 106.385 0.716 -0.606 390 HE1 TRP 44 HE1 TRP 44 104.165 0.019 0.506 391 HE3 TRP 44 HE3 TRP 44 107.811 -3.703 1.514 392 HZ2 TRP 44 HZ2 TRP 44 103.135 -2.134 2.083 393 HZ3 TRP 44 HZ3 TRP 44 106.195 -5.055 2.814 394 HH2 TRP 44 HH2 TRP 44 103.858 -4.276 3.103 395 H PHE 45 HN PHE 45 110.077 -0.178 -3.637 396 HA PHE 45 HA PHE 45 111.408 1.632 -4.094 397 HB2 PHE 45 HB2 PHE 45 108.629 2.607 -3.706 398 HB3 PHE 45 HB1 PHE 45 109.904 3.810 -3.897 399 HD1 PHE 45 HD1 PHE 45 107.569 1.932 -5.670 400 HD2 PHE 45 HD2 PHE 45 111.700 3.105 -5.830 401 HE1 PHE 45 HE1 PHE 45 107.590 1.526 -8.113 402 HE2 PHE 45 HE2 PHE 45 111.722 2.689 -8.272 403 HZ PHE 45 HZ PHE 45 109.668 1.900 -9.416 404 HA PRO 46 HA PRO 46 112.201 2.731 0.318 405 HB2 PRO 46 HB2 PRO 46 114.798 1.884 0.382 406 HB3 PRO 46 HB1 PRO 46 113.411 0.842 0.741 407 HG2 PRO 46 HG2 PRO 46 115.099 0.969 -1.670 408 HG3 PRO 46 HG1 PRO 46 114.231 -0.388 -0.941 409 HD2 PRO 46 HD2 PRO 46 113.378 1.038 -3.188 410 HD3 PRO 46 HD1 PRO 46 112.358 -0.025 -2.197 411 H GLN 47 HN GLN 47 113.493 3.575 -2.725 412 HA GLN 47 HA GLN 47 115.554 5.370 -1.939 413 HB2 GLN 47 HB2 GLN 47 113.788 5.310 -4.388 414 HB3 GLN 47 HB1 GLN 47 115.223 6.321 -4.223 415 HG2 GLN 47 HG2 GLN 47 116.606 4.293 -3.876 416 HG3 GLN 47 HG1 GLN 47 115.172 3.287 -4.069 417 HE21 GLN 47 HE21 GLN 47 116.892 2.547 -5.900 418 HE22 GLN 47 HE22 GLN 47 116.646 3.272 -7.414 419 H GLU 48 HN GLU 48 112.198 6.017 -3.019 420 HA GLU 48 HA GLU 48 112.357 8.698 -1.802 421 HB2 GLU 48 HB2 GLU 48 110.336 9.178 -3.007 422 HB3 GLU 48 HB1 GLU 48 111.476 8.429 -4.113 423 HG2 GLU 48 HG2 GLU 48 110.349 6.219 -3.639 424 HG3 GLU 48 HG1 GLU 48 109.127 7.113 -2.739 425 H GLY 49 HN GLY 49 111.261 5.560 -1.095 426 HA2 GLY 49 HA2 GLY 49 110.121 4.698 0.708 427 HA3 GLY 49 HA1 GLY 49 110.288 6.273 1.476 428 H THR 50 HN THR 50 108.413 4.586 -1.036 429 HA THR 50 HA THR 50 106.028 6.139 -0.212 430 HB THR 50 HB THR 50 106.840 6.860 -2.437 431 HG1 THR 50 HG1 THR 50 104.790 5.981 -3.533 432 HG21 THR 50 HG21 THR 50 107.917 4.729 -3.086 433 HG22 THR 50 HG22 THR 50 106.786 5.275 -4.320 434 HG23 THR 50 HG23 THR 50 106.330 3.964 -3.228 435 H ILE 51 HN ILE 51 103.973 5.016 -0.923 436 HA ILE 51 HA ILE 51 104.260 2.116 -0.403 437 HB ILE 51 HB ILE 51 101.678 3.563 0.004 438 HG12 ILE 51 HG12 ILE 51 104.179 3.887 1.630 439 HG13 ILE 51 HG11 ILE 51 102.931 5.071 1.245 440 HG21 ILE 51 HG21 ILE 51 102.160 1.030 0.246 441 HG22 ILE 51 HG22 ILE 51 101.292 1.828 1.557 442 HG23 ILE 51 HG23 ILE 51 103.010 1.478 1.725 443 HD11 ILE 51 HD11 ILE 51 102.853 2.878 3.309 444 HD12 ILE 51 HD12 ILE 51 101.373 3.613 2.692 445 HD13 ILE 51 HD13 ILE 51 102.569 4.606 3.522 446 H ASP 52 HN ASP 52 103.165 0.675 -1.735 447 HA ASP 52 HA ASP 52 101.434 1.752 -3.841 448 HB2 ASP 52 HB2 ASP 52 103.734 1.695 -4.766 449 HB3 ASP 52 HB1 ASP 52 103.818 -0.018 -4.368 450 H ILE 53 HN ILE 53 99.682 0.576 -3.859 451 HA ILE 53 HA ILE 53 99.422 -1.918 -2.464 452 HB ILE 53 HB ILE 53 97.452 -0.761 -4.446 453 HG12 ILE 53 HG12 ILE 53 98.045 0.992 -2.862 454 HG13 ILE 53 HG11 ILE 53 96.465 0.363 -2.402 455 HG21 ILE 53 HG21 ILE 53 95.824 -2.018 -3.123 456 HG22 ILE 53 HG22 ILE 53 97.065 -2.460 -1.950 457 HG23 ILE 53 HG23 ILE 53 97.123 -3.119 -3.585 458 HD11 ILE 53 HD11 ILE 53 97.619 0.430 -0.337 459 HD12 ILE 53 HD12 ILE 53 99.145 -0.053 -1.072 460 HD13 ILE 53 HD13 ILE 53 97.866 -1.243 -0.833 461 H LYS 54 HN LYS 54 99.623 -1.018 -5.885 462 HA LYS 54 HA LYS 54 99.066 -3.565 -6.967 463 HB2 LYS 54 HB2 LYS 54 99.064 -1.433 -8.258 464 HB3 LYS 54 HB1 LYS 54 100.824 -1.390 -8.130 465 HG2 LYS 54 HG2 LYS 54 100.971 -3.551 -9.305 466 HG3 LYS 54 HG1 LYS 54 99.212 -3.615 -9.405 467 HD2 LYS 54 HD2 LYS 54 99.216 -1.522 -10.725 468 HD3 LYS 54 HD1 LYS 54 100.979 -1.487 -10.642 469 HE2 LYS 54 HE2 LYS 54 101.113 -3.623 -11.824 470 HE3 LYS 54 HE1 LYS 54 99.353 -3.741 -11.854 471 HZ1 LYS 54 HZ1 LYS 54 100.027 -1.252 -12.884 472 HZ2 LYS 54 HZ2 LYS 54 99.374 -2.580 -13.720 473 HZ3 LYS 54 HZ3 LYS 54 101.059 -2.373 -13.631 474 H ARG 55 HN ARG 55 102.233 -1.949 -6.608 475 HA ARG 55 HA ARG 55 103.753 -4.231 -7.292 476 HB2 ARG 55 HB2 ARG 55 104.469 -1.713 -5.784 477 HB3 ARG 55 HB1 ARG 55 105.645 -2.974 -6.147 478 HG2 ARG 55 HG2 ARG 55 105.190 -2.736 -8.541 479 HG3 ARG 55 HG1 ARG 55 103.952 -1.525 -8.198 480 HD2 ARG 55 HD2 ARG 55 105.620 -0.039 -7.217 481 HD3 ARG 55 HD1 ARG 55 106.873 -1.256 -7.437 482 HE ARG 55 HE ARG 55 106.953 -0.710 -9.708 483 HH11 ARG 55 HH11 ARG 55 106.428 0.631 -11.463 484 HH12 ARG 55 HH12 ARG 55 105.069 1.698 -11.354 485 HH21 ARG 55 HH21 ARG 55 104.232 0.729 -8.135 486 HH22 ARG 55 HH22 ARG 55 103.821 1.752 -9.469 487 H TRP 56 HN TRP 56 102.520 -3.031 -4.213 488 HA TRP 56 HA TRP 56 104.017 -4.650 -2.528 489 HB2 TRP 56 HB2 TRP 56 102.764 -2.949 -1.489 490 HB3 TRP 56 HB1 TRP 56 101.271 -3.458 -2.275 491 HD1 TRP 56 HD1 TRP 56 99.719 -4.465 -0.578 492 HE1 TRP 56 HE1 TRP 56 99.942 -6.075 1.423 493 HE3 TRP 56 HE3 TRP 56 104.785 -5.129 -0.530 494 HZ2 TRP 56 HZ2 TRP 56 101.998 -7.462 2.847 495 HZ3 TRP 56 HZ3 TRP 56 105.844 -6.609 1.139 496 HH2 TRP 56 HH2 TRP 56 104.462 -7.772 2.833 497 H ARG 57 HN ARG 57 101.018 -5.300 -4.250 498 HA ARG 57 HA ARG 57 100.468 -7.805 -3.059 499 HB2 ARG 57 HB2 ARG 57 98.790 -6.492 -4.354 500 HB3 ARG 57 HB1 ARG 57 99.701 -6.832 -5.827 501 HG2 ARG 57 HG2 ARG 57 99.372 -9.262 -5.454 502 HG3 ARG 57 HG1 ARG 57 98.445 -8.897 -3.998 503 HD2 ARG 57 HD2 ARG 57 96.857 -7.572 -5.387 504 HD3 ARG 57 HD1 ARG 57 97.741 -8.076 -6.826 505 HE ARG 57 HE ARG 57 95.967 -9.728 -5.211 506 HH11 ARG 57 HH11 ARG 57 95.528 -11.774 -6.099 507 HH12 ARG 57 HH12 ARG 57 96.478 -12.360 -7.423 508 HH21 ARG 57 HH21 ARG 57 98.477 -9.532 -7.586 509 HH22 ARG 57 HH22 ARG 57 98.147 -11.089 -8.266 510 H ARG 58 HN ARG 58 102.348 -6.835 -5.909 511 HA ARG 58 HA ARG 58 102.810 -9.384 -6.986 512 HB2 ARG 58 HB2 ARG 58 104.474 -6.872 -6.993 513 HB3 ARG 58 HB1 ARG 58 104.944 -8.322 -7.881 514 HG2 ARG 58 HG2 ARG 58 102.793 -8.263 -9.099 515 HG3 ARG 58 HG1 ARG 58 102.341 -6.802 -8.218 516 HD2 ARG 58 HD2 ARG 58 104.346 -5.656 -9.146 517 HD3 ARG 58 HD1 ARG 58 104.718 -7.106 -10.075 518 HE ARG 58 HE ARG 58 102.611 -5.183 -10.631 519 HH11 ARG 58 HH11 ARG 58 101.503 -5.516 -12.583 520 HH12 ARG 58 HH12 ARG 58 101.693 -7.011 -13.437 521 HH21 ARG 58 HH21 ARG 58 103.884 -8.365 -11.114 522 HH22 ARG 58 HH22 ARG 58 103.041 -8.624 -12.605 523 H VAL 59 HN VAL 59 104.877 -7.523 -4.750 524 HA VAL 59 HA VAL 59 106.778 -9.613 -4.355 525 HB VAL 59 HB VAL 59 107.385 -7.342 -3.792 526 HG11 VAL 59 HG11 VAL 59 105.102 -6.560 -3.237 527 HG12 VAL 59 HG12 VAL 59 106.279 -6.112 -2.000 528 HG13 VAL 59 HG13 VAL 59 105.176 -7.462 -1.722 529 HG21 VAL 59 HG21 VAL 59 107.909 -9.475 -2.211 530 HG22 VAL 59 HG22 VAL 59 107.121 -8.407 -1.044 531 HG23 VAL 59 HG23 VAL 59 108.562 -7.866 -1.909 532 H GLY 60 HN GLY 60 103.769 -8.756 -2.710 533 HA2 GLY 60 HA2 GLY 60 104.066 -10.446 -0.470 534 HA3 GLY 60 HA1 GLY 60 102.536 -9.878 -1.124 535 H ASP 61 HN ASP 61 102.267 -11.027 -3.503 536 HA ASP 61 HA ASP 61 101.692 -13.752 -2.870 537 HB2 ASP 61 HB2 ASP 61 101.453 -12.031 -5.310 538 HB3 ASP 61 HB1 ASP 61 101.279 -13.777 -5.466 539 H CYS 62 HN CYS 62 104.200 -12.154 -4.715 540 HA CYS 62 HA CYS 62 105.334 -14.453 -5.925 541 HB2 CYS 62 HB2 CYS 62 106.539 -11.788 -5.179 542 HB3 CYS 62 HB1 CYS 62 107.425 -13.030 -6.060 543 HG CYS 62 HG CYS 62 105.511 -11.144 -7.326 544 H PHE 63 HN PHE 63 105.956 -12.899 -2.797 545 HA PHE 63 HA PHE 63 108.037 -14.825 -2.147 546 HB2 PHE 63 HB2 PHE 63 106.883 -12.406 -0.824 547 HB3 PHE 63 HB1 PHE 63 107.783 -13.577 0.138 548 HD1 PHE 63 HD1 PHE 63 110.103 -13.411 0.253 549 HD2 PHE 63 HD2 PHE 63 108.046 -11.695 -3.107 550 HE1 PHE 63 HE1 PHE 63 112.243 -12.481 -0.583 551 HE2 PHE 63 HE2 PHE 63 110.187 -10.765 -3.942 552 HZ PHE 63 HZ PHE 63 112.286 -11.158 -2.681 553 H GLN 64 HN GLN 64 104.761 -14.008 -1.014 554 HA GLN 64 HA GLN 64 104.610 -15.963 0.987 555 HB2 GLN 64 HB2 GLN 64 103.009 -14.077 0.716 556 HB3 GLN 64 HB1 GLN 64 102.342 -14.889 -0.700 557 HG2 GLN 64 HG2 GLN 64 101.744 -16.837 0.691 558 HG3 GLN 64 HG1 GLN 64 102.424 -16.039 2.107 559 HE21 GLN 64 HE21 GLN 64 99.583 -16.848 1.658 560 HE22 GLN 64 HE22 GLN 64 98.674 -15.420 1.781 561 H ASP 65 HN ASP 65 104.282 -16.187 -2.462 562 HA ASP 65 HA ASP 65 102.993 -18.759 -2.452 563 HB2 ASP 65 HB2 ASP 65 102.682 -17.333 -4.352 564 HB3 ASP 65 HB1 ASP 65 104.424 -17.179 -4.574 565 H TYR 66 HN TYR 66 106.273 -17.685 -3.435 566 HA TYR 66 HA TYR 66 107.321 -20.314 -3.631 567 HB2 TYR 66 HB2 TYR 66 108.493 -17.571 -3.491 568 HB3 TYR 66 HB1 TYR 66 109.557 -18.963 -3.291 569 HD1 TYR 66 HD1 TYR 66 110.169 -20.330 -5.136 570 HD2 TYR 66 HD2 TYR 66 107.056 -17.403 -5.575 571 HE1 TYR 66 HE1 TYR 66 110.173 -20.693 -7.590 572 HE2 TYR 66 HE2 TYR 66 107.061 -17.764 -8.027 573 HH TYR 66 HH TYR 66 107.806 -19.089 -9.687 574 H TYR 67 HN TYR 67 107.315 -17.971 -0.991 575 HA TYR 67 HA TYR 67 109.032 -19.372 0.753 576 HB2 TYR 67 HB2 TYR 67 108.262 -16.973 0.991 577 HB3 TYR 67 HB1 TYR 67 106.729 -17.604 1.586 578 HD1 TYR 67 HD1 TYR 67 106.484 -18.064 3.868 579 HD2 TYR 67 HD2 TYR 67 110.415 -17.902 2.143 580 HE1 TYR 67 HE1 TYR 67 107.486 -18.330 6.119 581 HE2 TYR 67 HE2 TYR 67 111.415 -18.173 4.396 582 HH TYR 67 HH TYR 67 109.453 -18.067 7.301 583 H ASN 68 HN ASN 68 105.481 -19.365 0.482 584 HA ASN 68 HA ASN 68 105.003 -21.169 2.611 585 HB2 ASN 68 HB2 ASN 68 103.403 -20.398 0.158 586 HB3 ASN 68 HB1 ASN 68 102.804 -21.565 1.337 587 HD21 ASN 68 HD21 ASN 68 101.269 -19.323 1.183 588 HD22 ASN 68 HD22 ASN 68 101.561 -18.286 2.493 589 H THR 69 HN THR 69 105.567 -21.654 -0.873 590 HA THR 69 HA THR 69 104.933 -24.389 -1.026 591 HB THR 69 HB THR 69 106.435 -24.419 -3.026 592 HG1 THR 69 HG1 THR 69 108.054 -23.087 -2.647 593 HG21 THR 69 HG21 THR 69 104.508 -23.633 -3.893 594 HG22 THR 69 HG22 THR 69 105.285 -22.050 -3.858 595 HG23 THR 69 HG23 THR 69 104.236 -22.549 -2.529 596 H PHE 70 HN PHE 70 107.645 -22.759 0.362 597 HA PHE 70 HA PHE 70 108.935 -25.372 0.837 598 HB2 PHE 70 HB2 PHE 70 110.213 -22.626 0.772 599 HB3 PHE 70 HB1 PHE 70 111.052 -24.138 1.111 600 HD1 PHE 70 HD1 PHE 70 110.432 -26.068 -0.743 601 HD2 PHE 70 HD2 PHE 70 110.452 -21.821 -1.404 602 HE1 PHE 70 HE1 PHE 70 110.717 -26.449 -3.173 603 HE2 PHE 70 HE2 PHE 70 110.740 -22.204 -3.836 604 HZ PHE 70 HZ PHE 70 110.875 -24.517 -4.721 605 H GLY 71 HN GLY 71 106.905 -23.407 2.257 606 HA2 GLY 71 HA2 GLY 71 107.902 -24.062 4.924 607 HA3 GLY 71 HA1 GLY 71 107.619 -22.363 4.561 608 HA PRO 72 HA PRO 72 103.666 -24.117 6.292 609 HB2 PRO 72 HB2 PRO 72 103.486 -21.402 7.458 610 HB3 PRO 72 HB1 PRO 72 103.394 -22.972 8.276 611 HG2 PRO 72 HG2 PRO 72 105.488 -21.334 8.532 612 HG3 PRO 72 HG1 PRO 72 105.649 -23.104 8.557 613 HD2 PRO 72 HD2 PRO 72 106.258 -21.193 6.311 614 HD3 PRO 72 HD1 PRO 72 107.140 -22.652 6.817 615 H GLU 73 HN GLU 73 101.612 -23.810 5.389 616 HA GLU 73 HA GLU 73 101.407 -21.918 3.215 617 HB2 GLU 73 HB2 GLU 73 100.519 -24.248 3.067 618 HB3 GLU 73 HB1 GLU 73 99.351 -23.850 4.328 619 HG2 GLU 73 HG2 GLU 73 98.406 -22.077 2.917 620 HG3 GLU 73 HG1 GLU 73 99.592 -22.430 1.662 621 H LYS 74 HN LYS 74 100.066 -22.409 6.438 622 HA LYS 74 HA LYS 74 98.124 -20.321 6.257 623 HB2 LYS 74 HB2 LYS 74 99.253 -21.241 8.873 624 HB3 LYS 74 HB1 LYS 74 97.596 -20.780 8.467 625 HG2 LYS 74 HG2 LYS 74 99.054 -23.300 7.613 626 HG3 LYS 74 HG1 LYS 74 97.662 -23.207 8.690 627 HD2 LYS 74 HD2 LYS 74 96.481 -22.051 6.663 628 HD3 LYS 74 HD1 LYS 74 97.787 -22.765 5.713 629 HE2 LYS 74 HE2 LYS 74 97.227 -24.987 6.570 630 HE3 LYS 74 HE1 LYS 74 95.928 -24.296 7.545 631 HZ1 LYS 74 HZ1 LYS 74 96.002 -24.873 4.728 632 HZ2 LYS 74 HZ2 LYS 74 95.418 -23.317 5.084 633 HZ3 LYS 74 HZ3 LYS 74 94.670 -24.684 5.761 634 H VAL 75 HN VAL 75 101.314 -20.598 7.702 635 HA VAL 75 HA VAL 75 102.732 -19.060 8.584 636 HB VAL 75 HB VAL 75 102.461 -16.895 6.838 637 HG11 VAL 75 HG11 VAL 75 104.171 -19.388 6.424 638 HG12 VAL 75 HG12 VAL 75 104.592 -18.098 7.548 639 HG13 VAL 75 HG13 VAL 75 104.514 -17.767 5.817 640 HG21 VAL 75 HG21 VAL 75 101.809 -19.499 5.436 641 HG22 VAL 75 HG22 VAL 75 102.504 -18.105 4.615 642 HG23 VAL 75 HG23 VAL 75 100.919 -17.971 5.370 643 HA PRO 76 HA PRO 76 100.911 -15.925 11.106 644 HB2 PRO 76 HB2 PRO 76 102.684 -13.822 9.958 645 HB3 PRO 76 HB1 PRO 76 102.476 -14.311 11.651 646 HG2 PRO 76 HG2 PRO 76 104.653 -14.974 10.279 647 HG3 PRO 76 HG1 PRO 76 103.927 -16.087 11.450 648 HD2 PRO 76 HD2 PRO 76 103.845 -16.142 8.483 649 HD3 PRO 76 HD1 PRO 76 103.913 -17.476 9.655 650 H VAL 77 HN VAL 77 98.970 -15.062 10.745 651 HA VAL 77 HA VAL 77 98.262 -13.938 8.143 652 HB VAL 77 HB VAL 77 96.557 -14.317 10.611 653 HG11 VAL 77 HG11 VAL 77 95.970 -13.580 7.740 654 HG12 VAL 77 HG12 VAL 77 95.506 -12.711 9.202 655 HG13 VAL 77 HG13 VAL 77 94.736 -14.247 8.807 656 HG21 VAL 77 HG21 VAL 77 95.975 -16.095 8.393 657 HG22 VAL 77 HG22 VAL 77 96.436 -16.542 10.032 658 HG23 VAL 77 HG23 VAL 77 97.685 -16.263 8.807 659 H THR 78 HN THR 78 99.384 -12.781 11.121 660 HA THR 78 HA THR 78 98.124 -10.406 11.594 661 HB THR 78 HB THR 78 100.224 -9.587 12.499 662 HG1 THR 78 HG1 THR 78 101.576 -11.774 11.391 663 HG21 THR 78 HG21 THR 78 100.155 -11.115 14.157 664 HG22 THR 78 HG22 THR 78 100.798 -12.371 13.101 665 HG23 THR 78 HG23 THR 78 99.063 -12.062 13.146 666 H ALA 79 HN ALA 79 100.020 -11.249 8.856 667 HA ALA 79 HA ALA 79 100.748 -8.733 7.870 668 HB1 ALA 79 HB1 ALA 79 99.954 -11.111 6.189 669 HB2 ALA 79 HB2 ALA 79 101.520 -10.954 6.988 670 HB3 ALA 79 HB3 ALA 79 101.042 -9.794 5.750 671 H PHE 80 HN PHE 80 97.704 -10.141 8.225 672 HA PHE 80 HA PHE 80 96.298 -8.950 6.044 673 HB2 PHE 80 HB2 PHE 80 95.491 -10.925 7.387 674 HB3 PHE 80 HB1 PHE 80 95.111 -9.804 8.694 675 HD1 PHE 80 HD1 PHE 80 93.004 -8.776 8.730 676 HD2 PHE 80 HD2 PHE 80 94.574 -10.249 5.014 677 HE1 PHE 80 HE1 PHE 80 90.867 -8.214 7.604 678 HE2 PHE 80 HE2 PHE 80 92.437 -9.687 3.887 679 HZ PHE 80 HZ PHE 80 90.583 -8.670 5.183 680 H SER 81 HN SER 81 96.868 -7.980 9.425 681 HA SER 81 HA SER 81 95.197 -5.718 9.426 682 HB2 SER 81 HB2 SER 81 97.732 -6.238 10.994 683 HB3 SER 81 HB1 SER 81 96.543 -4.991 11.359 684 HG SER 81 HG SER 81 96.253 -6.970 12.546 685 H TYR 82 HN TYR 82 98.575 -6.168 8.488 686 HA TYR 82 HA TYR 82 99.278 -3.473 8.172 687 HB2 TYR 82 HB2 TYR 82 100.253 -6.050 7.049 688 HB3 TYR 82 HB1 TYR 82 100.790 -4.561 6.280 689 HD1 TYR 82 HD1 TYR 82 100.875 -6.582 9.357 690 HD2 TYR 82 HD2 TYR 82 102.143 -2.933 7.477 691 HE1 TYR 82 HE1 TYR 82 102.508 -6.209 11.187 692 HE2 TYR 82 HE2 TYR 82 103.781 -2.562 9.306 693 HH TYR 82 HH TYR 82 104.590 -3.313 11.220 694 H TRP 83 HN TRP 83 98.011 -5.786 5.760 695 HA TRP 83 HA TRP 83 97.945 -4.014 3.586 696 HB2 TRP 83 HB2 TRP 83 95.869 -6.141 4.040 697 HB3 TRP 83 HB1 TRP 83 96.555 -5.582 2.514 698 HD1 TRP 83 HD1 TRP 83 99.592 -5.614 3.975 699 HE1 TRP 83 HE1 TRP 83 100.786 -7.894 4.035 700 HE3 TRP 83 HE3 TRP 83 95.607 -8.720 3.218 701 HZ2 TRP 83 HZ2 TRP 83 100.143 -10.670 3.785 702 HZ3 TRP 83 HZ3 TRP 83 95.928 -11.176 3.133 703 HH2 TRP 83 HH2 TRP 83 98.189 -12.154 3.418 704 H ASN 84 HN ASN 84 95.522 -4.627 6.100 705 HA ASN 84 HA ASN 84 93.489 -3.018 4.971 706 HB2 ASN 84 HB2 ASN 84 94.074 -4.061 7.725 707 HB3 ASN 84 HB1 ASN 84 92.767 -2.906 7.487 708 HD21 ASN 84 HD21 ASN 84 92.482 -5.760 8.264 709 HD22 ASN 84 HD22 ASN 84 91.557 -6.487 7.040 710 H LEU 85 HN LEU 85 95.997 -2.234 7.410 711 HA LEU 85 HA LEU 85 95.107 0.427 7.759 712 HB2 LEU 85 HB2 LEU 85 96.477 -0.775 9.420 713 HB3 LEU 85 HB1 LEU 85 97.821 -0.808 8.278 714 HG LEU 85 HG LEU 85 97.822 1.672 8.219 715 HD11 LEU 85 HD11 LEU 85 95.765 2.523 8.774 716 HD12 LEU 85 HD12 LEU 85 96.490 2.574 10.380 717 HD13 LEU 85 HD13 LEU 85 95.426 1.239 9.935 718 HD21 LEU 85 HD21 LEU 85 99.194 0.345 9.834 719 HD22 LEU 85 HD22 LEU 85 97.947 0.613 11.049 720 HD23 LEU 85 HD23 LEU 85 98.837 1.982 10.379 721 H ILE 86 HN ILE 86 97.864 -0.968 5.962 722 HA ILE 86 HA ILE 86 98.769 1.455 4.877 723 HB ILE 86 HB ILE 86 99.249 -1.404 4.422 724 HG12 ILE 86 HG12 ILE 86 101.236 0.775 3.880 725 HG13 ILE 86 HG11 ILE 86 100.688 0.555 5.543 726 HG21 ILE 86 HG21 ILE 86 100.365 -0.997 2.201 727 HG22 ILE 86 HG22 ILE 86 99.492 0.526 2.110 728 HG23 ILE 86 HG23 ILE 86 98.606 -0.994 2.145 729 HD11 ILE 86 HD11 ILE 86 101.670 -1.741 3.850 730 HD12 ILE 86 HD12 ILE 86 101.449 -1.695 5.598 731 HD13 ILE 86 HD13 ILE 86 102.754 -0.772 4.850 732 H LYS 87 HN LYS 87 96.285 -0.783 3.851 733 HA LYS 87 HA LYS 87 95.884 0.165 1.256 734 HB2 LYS 87 HB2 LYS 87 94.763 -1.823 1.787 735 HB3 LYS 87 HB1 LYS 87 94.077 -1.154 3.266 736 HG2 LYS 87 HG2 LYS 87 92.556 0.250 2.021 737 HG3 LYS 87 HG1 LYS 87 93.349 -0.158 0.492 738 HD2 LYS 87 HD2 LYS 87 92.664 -2.523 0.806 739 HD3 LYS 87 HD1 LYS 87 91.849 -2.064 2.303 740 HE2 LYS 87 HE2 LYS 87 90.405 -0.508 1.054 741 HE3 LYS 87 HE1 LYS 87 91.217 -0.954 -0.446 742 HZ1 LYS 87 HZ1 LYS 87 89.421 -2.566 1.237 743 HZ2 LYS 87 HZ2 LYS 87 90.564 -3.332 0.241 744 HZ3 LYS 87 HZ3 LYS 87 89.382 -2.320 -0.440 745 H GLU 88 HN GLU 88 94.461 1.221 4.335 746 HA GLU 88 HA GLU 88 93.008 3.341 3.026 747 HB2 GLU 88 HB2 GLU 88 92.163 3.817 5.265 748 HB3 GLU 88 HB1 GLU 88 92.080 2.105 4.908 749 HG2 GLU 88 HG2 GLU 88 93.984 1.617 6.184 750 HG3 GLU 88 HG1 GLU 88 94.321 3.312 6.466 751 H LEU 89 HN LEU 89 96.100 2.881 4.408 752 HA LEU 89 HA LEU 89 96.516 5.395 5.542 753 HB2 LEU 89 HB2 LEU 89 97.966 3.344 5.818 754 HB3 LEU 89 HB1 LEU 89 98.594 3.651 4.211 755 HG LEU 89 HG LEU 89 99.335 5.871 4.951 756 HD11 LEU 89 HD11 LEU 89 98.140 6.626 6.751 757 HD12 LEU 89 HD12 LEU 89 99.488 5.906 7.632 758 HD13 LEU 89 HD13 LEU 89 97.977 5.014 7.449 759 HD21 LEU 89 HD21 LEU 89 101.247 5.123 6.250 760 HD22 LEU 89 HD22 LEU 89 100.858 3.905 5.036 761 HD23 LEU 89 HD23 LEU 89 100.385 3.655 6.715 762 H ILE 90 HN ILE 90 97.123 4.139 2.294 763 HA ILE 90 HA ILE 90 98.437 6.411 1.308 764 HB ILE 90 HB ILE 90 96.793 4.293 -0.119 765 HG12 ILE 90 HG12 ILE 90 99.731 4.748 0.452 766 HG13 ILE 90 HG11 ILE 90 98.750 3.339 0.829 767 HG21 ILE 90 HG21 ILE 90 97.761 5.131 -2.241 768 HG22 ILE 90 HG22 ILE 90 98.624 6.395 -1.368 769 HG23 ILE 90 HG23 ILE 90 96.867 6.431 -1.473 770 HD11 ILE 90 HD11 ILE 90 98.426 3.285 -1.809 771 HD12 ILE 90 HD12 ILE 90 99.853 2.570 -1.067 772 HD13 ILE 90 HD13 ILE 90 99.945 4.176 -1.781 773 H ASP 91 HN ASP 91 95.011 5.494 1.376 774 HA ASP 91 HA ASP 91 93.887 7.450 -0.203 775 HB2 ASP 91 HB2 ASP 91 92.942 6.021 2.268 776 HB3 ASP 91 HB1 ASP 91 91.955 7.312 1.589 777 H LYS 92 HN LYS 92 95.148 7.751 3.059 778 HA LYS 92 HA LYS 92 94.093 10.348 3.569 779 HB2 LYS 92 HB2 LYS 92 96.462 8.868 4.734 780 HB3 LYS 92 HB1 LYS 92 95.876 10.417 5.341 781 HG2 LYS 92 HG2 LYS 92 93.658 9.404 5.758 782 HG3 LYS 92 HG1 LYS 92 94.266 7.854 5.173 783 HD2 LYS 92 HD2 LYS 92 95.969 7.840 6.958 784 HD3 LYS 92 HD1 LYS 92 95.362 9.389 7.548 785 HE2 LYS 92 HE2 LYS 92 93.164 8.378 7.990 786 HE3 LYS 92 HE1 LYS 92 93.745 6.829 7.378 787 HZ1 LYS 92 HZ1 LYS 92 95.147 8.219 9.571 788 HZ2 LYS 92 HZ2 LYS 92 95.184 6.572 9.159 789 HZ3 LYS 92 HZ3 LYS 92 93.801 7.237 9.887 790 H LYS 93 HN LYS 93 94.901 12.339 3.129 791 HA LYS 93 HA LYS 93 97.099 12.478 1.201 792 HB2 LYS 93 HB2 LYS 93 95.029 14.475 2.122 793 HB3 LYS 93 HB1 LYS 93 96.365 14.907 1.054 794 HG2 LYS 93 HG2 LYS 93 95.638 13.186 -0.557 795 HG3 LYS 93 HG1 LYS 93 94.299 12.754 0.507 796 HD2 LYS 93 HD2 LYS 93 93.425 15.068 0.323 797 HD3 LYS 93 HD1 LYS 93 94.740 15.463 -0.785 798 HE2 LYS 93 HE2 LYS 93 92.603 13.359 -1.236 799 HE3 LYS 93 HE1 LYS 93 92.719 14.916 -2.057 800 HZ1 LYS 93 HZ1 LYS 93 95.071 14.093 -2.663 801 HZ2 LYS 93 HZ2 LYS 93 93.739 13.495 -3.532 802 HZ3 LYS 93 HZ3 LYS 93 94.454 12.552 -2.313 803 H GLU 94 HN GLU 94 96.783 12.584 4.486 804 HA GLU 94 HA GLU 94 98.691 14.728 4.975 805 HB2 GLU 94 HB2 GLU 94 97.294 12.768 6.807 806 HB3 GLU 94 HB1 GLU 94 98.435 13.994 7.363 807 HG2 GLU 94 HG2 GLU 94 97.036 15.773 6.473 808 HG3 GLU 94 HG1 GLU 94 95.933 14.596 5.763 809 H VAL 95 HN VAL 95 99.213 12.003 3.547 810 HA VAL 95 HA VAL 95 101.526 11.206 5.214 811 HB VAL 95 HB VAL 95 100.529 9.523 2.943 812 HG11 VAL 95 HG11 VAL 95 101.653 7.837 4.008 813 HG12 VAL 95 HG12 VAL 95 101.295 8.465 5.617 814 HG13 VAL 95 HG13 VAL 95 102.578 9.195 4.651 815 HG21 VAL 95 HG21 VAL 95 98.444 9.880 4.019 816 HG22 VAL 95 HG22 VAL 95 99.185 9.963 5.617 817 HG23 VAL 95 HG23 VAL 95 99.049 8.412 4.790 818 H ASN 96 HN ASN 96 102.978 12.810 4.426 819 HA ASN 96 HA ASN 96 103.769 12.349 1.606 820 HB2 ASN 96 HB2 ASN 96 104.541 14.760 1.668 821 HB3 ASN 96 HB1 ASN 96 102.794 14.524 1.672 822 HD21 ASN 96 HD21 ASN 96 104.510 16.774 2.842 823 HD22 ASN 96 HD22 ASN 96 104.020 16.870 4.464 824 HA PRO 97 HA PRO 97 107.409 11.586 4.347 825 HB2 PRO 97 HB2 PRO 97 108.038 9.121 3.377 826 HB3 PRO 97 HB1 PRO 97 106.865 9.382 4.678 827 HG2 PRO 97 HG2 PRO 97 106.416 8.714 1.844 828 HG3 PRO 97 HG1 PRO 97 105.457 8.307 3.272 829 HD2 PRO 97 HD2 PRO 97 104.885 10.335 1.428 830 HD3 PRO 97 HD1 PRO 97 104.151 10.132 3.031 831 H GLN 98 HN GLN 98 106.850 11.136 0.940 832 HA GLN 98 HA GLN 98 109.390 10.890 -0.103 833 HB2 GLN 98 HB2 GLN 98 107.413 12.751 -1.390 834 HB3 GLN 98 HB1 GLN 98 108.532 11.621 -2.146 835 HG2 GLN 98 HG2 GLN 98 106.012 10.876 -0.586 836 HG3 GLN 98 HG1 GLN 98 106.297 10.717 -2.330 837 HE21 GLN 98 HE21 GLN 98 105.840 8.617 -0.134 838 HE22 GLN 98 HE22 GLN 98 107.124 7.531 -0.357 839 H VAL 99 HN VAL 99 107.954 13.604 1.487 840 HA VAL 99 HA VAL 99 109.214 15.822 0.486 841 HB VAL 99 HB VAL 99 109.019 15.067 3.400 842 HG11 VAL 99 HG11 VAL 99 110.084 17.024 3.740 843 HG12 VAL 99 HG12 VAL 99 108.656 17.818 3.078 844 HG13 VAL 99 HG13 VAL 99 110.014 17.428 2.024 845 HG21 VAL 99 HG21 VAL 99 107.089 16.786 1.850 846 HG22 VAL 99 HG22 VAL 99 106.830 15.954 3.383 847 HG23 VAL 99 HG23 VAL 99 106.907 15.034 1.881 848 H MET 100 HN MET 100 110.696 13.992 3.189 849 HA MET 100 HA MET 100 113.296 15.118 2.565 850 HB2 MET 100 HB2 MET 100 112.563 13.033 4.617 851 HB3 MET 100 HB1 MET 100 114.053 13.977 4.549 852 HG2 MET 100 HG2 MET 100 111.272 15.142 4.882 853 HG3 MET 100 HG1 MET 100 112.437 14.921 6.187 854 HE1 MET 100 HE1 MET 100 115.123 17.273 5.831 855 HE2 MET 100 HE2 MET 100 115.389 16.043 4.598 856 HE3 MET 100 HE3 MET 100 114.665 15.593 6.139 857 H ALA 101 HN ALA 101 111.782 11.943 2.466 858 HA ALA 101 HA ALA 101 114.027 10.431 1.778 859 HB1 ALA 101 HB1 ALA 101 111.106 10.032 1.156 860 HB2 ALA 101 HB2 ALA 101 112.052 9.251 2.418 861 HB3 ALA 101 HB3 ALA 101 112.342 8.855 0.724 862 H ALA 102 HN ALA 102 112.344 12.751 -0.114 863 HA ALA 102 HA ALA 102 113.239 11.654 -2.653 864 HB1 ALA 102 HB1 ALA 102 110.999 12.588 -2.476 865 HB2 ALA 102 HB2 ALA 102 111.983 13.495 -3.623 866 HB3 ALA 102 HB3 ALA 102 111.672 14.162 -2.018 867 H VAL 103 HN VAL 103 114.531 13.409 -0.211 868 HA VAL 103 HA VAL 103 115.938 15.426 -1.769 869 HB VAL 103 HB VAL 103 116.333 14.531 1.096 870 HG11 VAL 103 HG11 VAL 103 117.725 16.480 -0.667 871 HG12 VAL 103 HG12 VAL 103 118.339 15.570 0.713 872 HG13 VAL 103 HG13 VAL 103 117.361 17.014 0.975 873 HG21 VAL 103 HG21 VAL 103 115.024 16.434 1.682 874 HG22 VAL 103 HG22 VAL 103 114.130 15.634 0.390 875 HG23 VAL 103 HG23 VAL 103 115.086 17.075 0.040 876 H ALA 104 HN ALA 104 116.276 12.147 -1.404 877 HA ALA 104 HA ALA 104 119.059 11.803 -1.130 878 HB1 ALA 104 HB1 ALA 104 116.902 10.092 -2.380 879 HB2 ALA 104 HB2 ALA 104 117.711 9.884 -0.823 880 HB3 ALA 104 HB3 ALA 104 118.599 9.593 -2.316 881 H GLN 105 HN GLN 105 117.028 12.521 -3.875 882 HA GLN 105 HA GLN 105 117.542 12.578 -6.177 883 HB2 GLN 105 HB2 GLN 105 119.375 14.565 -4.823 884 HB3 GLN 105 HB1 GLN 105 119.055 14.542 -6.557 885 HG2 GLN 105 HG2 GLN 105 116.636 14.813 -6.104 886 HG3 GLN 105 HG1 GLN 105 116.974 14.872 -4.375 887 HE21 GLN 105 HE21 GLN 105 116.336 16.876 -6.927 888 HE22 GLN 105 HE22 GLN 105 117.171 18.263 -6.419 889 H THR 106 HN THR 106 118.443 10.549 -6.668 890 HA THR 106 HA THR 106 121.254 10.049 -6.236 891 HB THR 106 HB THR 106 120.822 7.944 -7.432 892 HG1 THR 106 HG1 THR 106 119.202 7.838 -8.737 893 HG21 THR 106 HG21 THR 106 118.963 8.853 -5.253 894 HG22 THR 106 HG22 THR 106 120.298 7.704 -5.172 895 HG23 THR 106 HG23 THR 106 118.781 7.238 -5.940 896 H GLU 107 HN GLU 107 122.628 9.323 -8.123 897 HA GLU 107 HA GLU 107 122.073 10.896 -10.558 898 HB2 GLU 107 HB2 GLU 107 124.684 10.850 -9.027 899 HB3 GLU 107 HB1 GLU 107 124.451 11.578 -10.618 900 HG2 GLU 107 HG2 GLU 107 122.745 13.099 -9.707 901 HG3 GLU 107 HG1 GLU 107 122.930 12.373 -8.112 902 H GLU 108 HN GLU 108 123.154 10.132 -12.453 903 HA GLU 108 HA GLU 108 123.353 7.281 -12.569 904 HB2 GLU 108 HB2 GLU 108 124.088 9.404 -14.604 905 HB3 GLU 108 HB1 GLU 108 123.992 7.672 -14.937 906 HG2 GLU 108 HG2 GLU 108 121.691 9.339 -13.868 907 HG3 GLU 108 HG1 GLU 108 121.903 8.919 -15.566 908 H ILE 109 HN ILE 109 125.096 6.017 -12.342 909 HA ILE 109 HA ILE 109 127.491 6.938 -11.258 910 HB ILE 109 HB ILE 109 128.383 4.676 -11.838 911 HG12 ILE 109 HG12 ILE 109 125.733 4.254 -13.269 912 HG13 ILE 109 HG11 ILE 109 127.233 4.610 -14.122 913 HG21 ILE 109 HG21 ILE 109 125.642 5.023 -10.642 914 HG22 ILE 109 HG22 ILE 109 127.147 4.540 -9.857 915 HG23 ILE 109 HG23 ILE 109 126.270 3.392 -10.865 916 HD11 ILE 109 HD11 ILE 109 126.650 2.210 -12.372 917 HD12 ILE 109 HD12 ILE 109 128.257 2.608 -12.980 918 HD13 ILE 109 HD13 ILE 109 126.959 2.219 -14.109 919 H LEU 110 HN LEU 110 126.430 6.833 -14.544 920 HA LEU 110 HA LEU 110 128.932 6.840 -15.859 921 HB2 LEU 110 HB2 LEU 110 126.250 7.987 -16.666 922 HB3 LEU 110 HB1 LEU 110 127.639 7.874 -17.749 923 HG LEU 110 HG LEU 110 126.417 5.520 -16.284 924 HD11 LEU 110 HD11 LEU 110 124.745 6.022 -17.805 925 HD12 LEU 110 HD12 LEU 110 125.771 4.971 -18.781 926 HD13 LEU 110 HD13 LEU 110 125.868 6.721 -18.971 927 HD21 LEU 110 HD21 LEU 110 127.740 4.465 -18.401 928 HD22 LEU 110 HD22 LEU 110 128.494 4.696 -16.825 929 HD23 LEU 110 HD23 LEU 110 128.753 5.879 -18.107 930 H LYS 111 HN LYS 111 126.891 9.427 -14.581 931 HA LYS 111 HA LYS 111 128.460 11.579 -15.553 932 HB2 LYS 111 HB2 LYS 111 126.099 11.818 -14.842 933 HB3 LYS 111 HB1 LYS 111 126.588 11.533 -13.170 934 HG2 LYS 111 HG2 LYS 111 128.039 13.507 -13.229 935 HG3 LYS 111 HG1 LYS 111 127.646 13.774 -14.929 936 HD2 LYS 111 HD2 LYS 111 125.264 14.077 -14.322 937 HD3 LYS 111 HD1 LYS 111 125.675 13.835 -12.623 938 HE2 LYS 111 HE2 LYS 111 127.151 15.800 -12.683 939 HE3 LYS 111 HE1 LYS 111 126.782 16.035 -14.392 940 HZ1 LYS 111 HZ1 LYS 111 124.436 15.806 -12.761 941 HZ2 LYS 111 HZ2 LYS 111 124.849 16.991 -13.906 942 HZ3 LYS 111 HZ3 LYS 111 125.414 17.117 -12.309 943 H SER 112 HN SER 112 128.442 9.730 -12.544 944 HA SER 112 HA SER 112 130.214 11.334 -11.094 945 HB2 SER 112 HB2 SER 112 130.611 9.336 -9.718 946 HB3 SER 112 HB1 SER 112 128.898 9.523 -10.078 947 HG SER 112 HG SER 112 130.551 7.498 -10.680 948 H ASN 113 HN ASN 113 130.834 8.563 -13.216 949 HA ASN 113 HA ASN 113 133.657 8.566 -12.873 950 HB2 ASN 113 HB2 ASN 113 132.492 6.602 -13.725 951 HB3 ASN 113 HB1 ASN 113 131.961 7.504 -15.143 952 HD21 ASN 113 HD21 ASN 113 133.221 5.656 -16.274 953 HD22 ASN 113 HD22 ASN 113 134.886 5.888 -16.505 954 H SER 114 HN SER 114 131.506 10.032 -15.270 955 HA SER 114 HA SER 114 133.464 12.086 -15.832 956 HB2 SER 114 HB2 SER 114 134.036 10.045 -17.310 957 HB3 SER 114 HB1 SER 114 132.558 10.434 -18.185 958 HG SER 114 HG SER 114 134.962 11.844 -17.969 959 H GLN 115 HN GLN 115 132.475 13.944 -16.422 960 HA GLN 115 HA GLN 115 129.566 13.917 -16.611 961 HB2 GLN 115 HB2 GLN 115 131.558 16.194 -16.488 962 HB3 GLN 115 HB1 GLN 115 129.811 16.394 -16.512 963 HG2 GLN 115 HG2 GLN 115 129.629 15.035 -14.455 964 HG3 GLN 115 HG1 GLN 115 131.384 14.876 -14.417 965 HE21 GLN 115 HE21 GLN 115 130.706 16.020 -12.175 966 HE22 GLN 115 HE22 GLN 115 130.797 17.714 -12.200 967 H THR 116 HN THR 116 131.001 12.765 -18.818 968 HA THR 116 HA THR 116 131.197 14.616 -20.985 969 HB THR 116 HB THR 116 131.278 12.580 -22.396 970 HG1 THR 116 HG1 THR 116 129.759 11.411 -21.068 971 HG21 THR 116 HG21 THR 116 133.439 12.640 -21.773 972 HG22 THR 116 HG22 THR 116 133.045 11.499 -20.487 973 HG23 THR 116 HG23 THR 116 133.004 13.234 -20.170 974 H ASP 117 HN ASP 117 128.645 12.451 -19.827 975 HA ASP 117 HA ASP 117 126.856 12.770 -21.979 976 HB2 ASP 117 HB2 ASP 117 126.577 11.984 -19.092 977 HB3 ASP 117 HB1 ASP 117 125.128 12.283 -20.046 978 H LEU 118 HN LEU 118 127.144 14.549 -18.913 979 HA LEU 118 HA LEU 118 125.725 16.781 -20.201 980 HB2 LEU 118 HB2 LEU 118 125.217 15.633 -17.457 981 HB3 LEU 118 HB1 LEU 118 124.651 17.232 -17.945 982 HG LEU 118 HG LEU 118 124.033 14.712 -19.512 983 HD11 LEU 118 HD11 LEU 118 122.133 16.110 -17.620 984 HD12 LEU 118 HD12 LEU 118 123.112 14.733 -17.114 985 HD13 LEU 118 HD13 LEU 118 121.929 14.547 -18.409 986 HD21 LEU 118 HD21 LEU 118 122.033 16.705 -19.786 987 HD22 LEU 118 HD22 LEU 118 123.188 16.179 -21.006 988 HD23 LEU 118 HD23 LEU 118 123.575 17.542 -19.956 989 H GLU 119 HN GLU 119 126.465 18.836 -19.648 990 HA GLU 119 HA GLU 119 128.847 18.910 -17.888 991 HB2 GLU 119 HB2 GLU 119 128.254 20.446 -20.429 992 HB3 GLU 119 HB1 GLU 119 129.595 20.814 -19.343 993 HG2 GLU 119 HG2 GLU 119 130.513 18.572 -19.661 994 HG3 GLU 119 HG1 GLU 119 129.138 18.128 -20.670 995 H HIS 120 HN HIS 120 129.262 21.398 -17.375 996 HA HIS 120 HA HIS 120 126.698 22.542 -16.431 997 HB2 HIS 120 HB2 HIS 120 129.348 22.235 -15.041 998 HB3 HIS 120 HB1 HIS 120 128.219 23.502 -14.561 999 HD1 HIS 120 HD1 HIS 120 128.574 19.752 -14.708 1000 HD2 HIS 120 HD2 HIS 120 125.895 22.583 -13.230 1001 HE1 HIS 120 HE1 HIS 120 126.935 18.492 -13.246 1002 HE2 HIS 120 HE2 HIS 120 125.295 20.204 -12.337 1003 H HIS 121 HN HIS 121 126.363 24.676 -16.770 1004 HA HIS 121 HA HIS 121 128.466 26.140 -18.244 1005 HB2 HIS 121 HB2 HIS 121 125.462 26.528 -18.218 1006 HB3 HIS 121 HB1 HIS 121 126.607 27.521 -19.120 1007 HD1 HIS 121 HD1 HIS 121 127.956 26.308 -21.063 1008 HD2 HIS 121 HD2 HIS 121 124.858 24.060 -19.410 1009 HE1 HIS 121 HE1 HIS 121 127.532 24.390 -22.661 1010 HE2 HIS 121 HE2 HIS 121 125.646 23.010 -21.667 1011 H HIS 122 HN HIS 122 129.275 27.972 -17.419 1012 HA HIS 122 HA HIS 122 128.095 28.997 -14.909 1013 HB2 HIS 122 HB2 HIS 122 130.937 29.082 -15.942 1014 HB3 HIS 122 HB1 HIS 122 130.385 29.941 -14.504 1015 HD1 HIS 122 HD1 HIS 122 128.997 28.208 -12.765 1016 HD2 HIS 122 HD2 HIS 122 131.875 26.569 -15.298 1017 HE1 HIS 122 HE1 HIS 122 129.635 25.967 -11.771 1018 HE2 HIS 122 HE2 HIS 122 131.389 24.957 -13.304 1019 H HIS 123 HN HIS 123 127.513 31.085 -14.752 1020 HA HIS 123 HA HIS 123 128.122 32.884 -17.016 1021 HB2 HIS 123 HB2 HIS 123 125.466 32.459 -15.641 1022 HB3 HIS 123 HB1 HIS 123 125.811 33.835 -16.689 1023 HD1 HIS 123 HD1 HIS 123 126.482 33.234 -19.215 1024 HD2 HIS 123 HD2 HIS 123 124.842 30.101 -17.008 1025 HE1 HIS 123 HE1 HIS 123 125.792 31.462 -20.889 1026 HE2 HIS 123 HE2 HIS 123 124.791 29.546 -19.558 1027 H HIS 124 HN HIS 124 128.378 35.057 -16.521 1028 HA HIS 124 HA HIS 124 129.427 35.642 -13.954 1029 HB2 HIS 124 HB2 HIS 124 128.663 37.381 -16.300 1030 HB3 HIS 124 HB1 HIS 124 129.358 38.038 -14.818 1031 HD1 HIS 124 HD1 HIS 124 130.184 35.792 -17.732 1032 HD2 HIS 124 HD2 HIS 124 132.111 37.505 -14.457 1033 HE1 HIS 124 HE1 HIS 124 132.662 35.401 -18.073 1034 HE2 HIS 124 HE2 HIS 124 133.851 36.439 -16.085 1035 H HIS 125 HN HIS 125 126.336 36.376 -15.521 1036 HA HIS 125 HA HIS 125 125.272 37.196 -12.882 1037 HB2 HIS 125 HB2 HIS 125 124.650 38.337 -15.614 1038 HB3 HIS 125 HB1 HIS 125 123.709 38.686 -14.164 1039 HD1 HIS 125 HD1 HIS 125 126.934 39.472 -15.853 1040 HD2 HIS 125 HD2 HIS 125 125.136 40.210 -12.164 1041 HE1 HIS 125 HE1 HIS 125 128.310 41.279 -14.732 1042 HE2 HIS 125 HE2 HIS 125 127.227 41.739 -12.482 Start of MODEL 9 1 H21 MYR 1 1H2 MYR 1 112.384 14.513 3.963 2 H22 MYR 1 2H2 MYR 1 112.835 14.443 2.401 3 H31 MYR 1 1H3 MYR 1 112.498 11.872 3.163 4 H32 MYR 1 2H3 MYR 1 111.219 12.668 3.777 5 H41 MYR 1 1H4 MYR 1 111.077 13.601 1.401 6 H42 MYR 1 2H4 MYR 1 111.846 12.213 1.035 7 H51 MYR 1 1H5 MYR 1 109.176 12.546 1.948 8 H52 MYR 1 2H5 MYR 1 109.726 11.479 0.842 9 H61 MYR 1 1H6 MYR 1 110.868 10.729 3.179 10 H62 MYR 1 2H6 MYR 1 109.319 11.080 3.556 11 H71 MYR 1 1H7 MYR 1 109.014 9.536 1.463 12 H72 MYR 1 2H7 MYR 1 110.320 8.871 2.176 13 H81 MYR 1 1H8 MYR 1 108.833 8.908 4.227 14 H82 MYR 1 2H8 MYR 1 107.640 8.932 3.118 15 H91 MYR 1 1H9 MYR 1 108.290 6.857 2.279 16 H92 MYR 1 2H9 MYR 1 109.629 6.845 3.206 17 H101 MYR 1 1H10 MYR 1 108.499 6.297 5.064 18 H102 MYR 1 2H10 MYR 1 107.105 6.951 4.533 19 H111 MYR 1 1H11 MYR 1 106.688 5.110 3.153 20 H112 MYR 1 2H11 MYR 1 108.164 4.490 3.445 21 H121 MYR 1 1H12 MYR 1 107.472 3.481 5.256 22 H122 MYR 1 2H12 MYR 1 106.777 4.838 5.826 23 H131 MYR 1 1H13 MYR 1 104.782 4.139 5.274 24 H132 MYR 1 2H13 MYR 1 105.254 3.780 3.759 25 H141 MYR 1 1H14 MYR 1 105.481 1.627 4.210 26 H142 MYR 1 2H14 MYR 1 106.130 1.925 5.683 27 H143 MYR 1 3H14 MYR 1 104.510 1.963 5.486 28 H GLY 2 HN GLY 2 114.508 13.526 1.715 29 HA2 GLY 2 HA2 GLY 2 116.382 12.026 2.151 30 HA3 GLY 2 HA1 GLY 2 115.601 11.592 3.669 31 H GLN 3 HN GLN 3 115.275 11.392 0.147 32 HA GLN 3 HA GLN 3 113.047 9.887 -0.225 33 HB2 GLN 3 HB2 GLN 3 115.767 9.528 -1.487 34 HB3 GLN 3 HB1 GLN 3 114.315 8.711 -2.061 35 HG2 GLN 3 HG2 GLN 3 113.223 10.869 -2.453 36 HG3 GLN 3 HG1 GLN 3 114.629 11.715 -1.809 37 HE21 GLN 3 HE21 GLN 3 114.269 12.606 -4.235 38 HE22 GLN 3 HE22 GLN 3 115.210 11.823 -5.411 39 H GLU 4 HN GLU 4 116.250 8.429 0.383 40 HA GLU 4 HA GLU 4 114.996 5.900 1.047 41 HB2 GLU 4 HB2 GLU 4 117.871 6.805 0.975 42 HB3 GLU 4 HB1 GLU 4 117.376 5.192 1.495 43 HG2 GLU 4 HG2 GLU 4 116.271 4.815 -0.658 44 HG3 GLU 4 HG1 GLU 4 116.712 6.440 -1.182 45 H LEU 5 HN LEU 5 117.398 7.869 2.717 46 HA LEU 5 HA LEU 5 117.372 6.756 5.162 47 HB2 LEU 5 HB2 LEU 5 118.696 8.713 4.761 48 HB3 LEU 5 HB1 LEU 5 117.261 9.714 4.593 49 HG LEU 5 HG LEU 5 118.522 9.798 6.817 50 HD11 LEU 5 HD11 LEU 5 115.932 10.395 6.370 51 HD12 LEU 5 HD12 LEU 5 116.729 10.548 7.936 52 HD13 LEU 5 HD13 LEU 5 115.770 9.116 7.600 53 HD21 LEU 5 HD21 LEU 5 118.751 7.277 6.928 54 HD22 LEU 5 HD22 LEU 5 117.069 7.255 7.468 55 HD23 LEU 5 HD23 LEU 5 118.291 8.091 8.417 56 H SER 6 HN SER 6 115.162 9.511 4.540 57 HA SER 6 HA SER 6 113.688 9.412 6.764 58 HB2 SER 6 HB2 SER 6 111.965 10.504 5.591 59 HB3 SER 6 HB1 SER 6 113.424 10.879 4.670 60 HG SER 6 HG SER 6 112.860 8.883 3.467 61 H GLN 7 HN GLN 7 113.204 7.375 3.909 62 HA GLN 7 HA GLN 7 110.905 6.021 4.590 63 HB2 GLN 7 HB2 GLN 7 112.355 5.734 2.497 64 HB3 GLN 7 HB1 GLN 7 113.313 4.611 3.461 65 HG2 GLN 7 HG2 GLN 7 111.328 3.257 3.912 66 HG3 GLN 7 HG1 GLN 7 110.344 4.371 2.961 67 HE21 GLN 7 HE21 GLN 7 111.039 1.447 2.462 68 HE22 GLN 7 HE22 GLN 7 111.705 1.430 0.901 69 H HIS 8 HN HIS 8 114.223 4.855 5.310 70 HA HIS 8 HA HIS 8 113.526 2.726 6.948 71 HB2 HIS 8 HB2 HIS 8 115.927 4.571 7.039 72 HB3 HIS 8 HB1 HIS 8 115.779 3.102 8.025 73 HD1 HIS 8 HD1 HIS 8 118.020 2.781 6.226 74 HD2 HIS 8 HD2 HIS 8 114.152 2.117 4.818 75 HE1 HIS 8 HE1 HIS 8 118.247 1.354 4.145 76 HE2 HIS 8 HE2 HIS 8 115.896 0.938 3.280 77 H GLU 9 HN GLU 9 113.972 6.109 7.834 78 HA GLU 9 HA GLU 9 113.696 5.741 10.635 79 HB2 GLU 9 HB2 GLU 9 114.640 7.783 9.589 80 HB3 GLU 9 HB1 GLU 9 113.039 8.185 8.970 81 HG2 GLU 9 HG2 GLU 9 112.164 8.314 11.271 82 HG3 GLU 9 HG1 GLU 9 113.750 7.881 11.904 83 H ARG 10 HN ARG 10 111.302 7.172 8.389 84 HA ARG 10 HA ARG 10 109.184 7.057 10.278 85 HB2 ARG 10 HB2 ARG 10 109.152 7.316 7.269 86 HB3 ARG 10 HB1 ARG 10 107.734 7.494 8.295 87 HG2 ARG 10 HG2 ARG 10 108.791 9.336 9.505 88 HG3 ARG 10 HG1 ARG 10 110.260 9.150 8.548 89 HD2 ARG 10 HD2 ARG 10 108.942 9.635 6.492 90 HD3 ARG 10 HD1 ARG 10 107.518 9.901 7.494 91 HE ARG 10 HE ARG 10 109.771 11.701 7.174 92 HH11 ARG 10 HH11 ARG 10 109.553 13.708 8.213 93 HH12 ARG 10 HH12 ARG 10 108.314 13.932 9.402 94 HH21 ARG 10 HH21 ARG 10 107.090 10.700 9.121 95 HH22 ARG 10 HH22 ARG 10 106.920 12.229 9.917 96 H TYR 11 HN TYR 11 110.030 5.003 7.510 97 HA TYR 11 HA TYR 11 107.889 3.247 7.495 98 HB2 TYR 11 HB2 TYR 11 109.744 3.141 5.863 99 HB3 TYR 11 HB1 TYR 11 110.802 2.526 7.135 100 HD1 TYR 11 HD1 TYR 11 108.121 1.704 4.806 101 HD2 TYR 11 HD2 TYR 11 110.415 0.313 8.153 102 HE1 TYR 11 HE1 TYR 11 107.318 -0.598 4.386 103 HE2 TYR 11 HE2 TYR 11 109.632 -2.000 7.728 104 HH TYR 11 HH TYR 11 108.586 -3.340 6.242 105 H VAL 12 HN VAL 12 110.936 2.789 9.318 106 HA VAL 12 HA VAL 12 110.061 0.489 10.701 107 HB VAL 12 HB VAL 12 112.185 2.551 11.200 108 HG11 VAL 12 HG11 VAL 12 111.192 0.384 13.061 109 HG12 VAL 12 HG12 VAL 12 111.579 2.064 13.452 110 HG13 VAL 12 HG13 VAL 12 112.866 0.921 13.085 111 HG21 VAL 12 HG21 VAL 12 113.610 0.624 10.848 112 HG22 VAL 12 HG22 VAL 12 112.418 0.662 9.546 113 HG23 VAL 12 HG23 VAL 12 112.218 -0.467 10.894 114 H GLU 13 HN GLU 13 110.332 3.806 12.065 115 HA GLU 13 HA GLU 13 109.058 3.208 14.474 116 HB2 GLU 13 HB2 GLU 13 109.093 5.815 12.954 117 HB3 GLU 13 HB1 GLU 13 108.726 5.631 14.669 118 HG2 GLU 13 HG2 GLU 13 111.333 4.800 13.363 119 HG3 GLU 13 HG1 GLU 13 111.093 6.296 14.262 120 H GLN 14 HN GLN 14 107.663 4.551 11.494 121 HA GLN 14 HA GLN 14 105.033 4.767 12.522 122 HB2 GLN 14 HB2 GLN 14 105.915 6.005 10.533 123 HB3 GLN 14 HB1 GLN 14 105.851 4.489 9.628 124 HG2 GLN 14 HG2 GLN 14 103.811 5.751 9.180 125 HG3 GLN 14 HG1 GLN 14 103.398 4.341 10.162 126 HE21 GLN 14 HE21 GLN 14 101.819 4.983 11.649 127 HE22 GLN 14 HE22 GLN 14 101.859 6.430 12.536 128 H LEU 15 HN LEU 15 105.932 2.725 9.815 129 HA LEU 15 HA LEU 15 103.831 1.032 9.709 130 HB2 LEU 15 HB2 LEU 15 106.215 0.967 8.488 131 HB3 LEU 15 HB1 LEU 15 106.480 -0.351 9.623 132 HG LEU 15 HG LEU 15 105.596 -1.264 7.545 133 HD11 LEU 15 HD11 LEU 15 103.264 -1.207 9.454 134 HD12 LEU 15 HD12 LEU 15 104.762 -2.052 9.841 135 HD13 LEU 15 HD13 LEU 15 103.817 -2.531 8.431 136 HD21 LEU 15 HD21 LEU 15 104.059 -0.202 6.291 137 HD22 LEU 15 HD22 LEU 15 104.207 1.153 7.407 138 HD23 LEU 15 HD23 LEU 15 102.949 -0.052 7.654 139 H LYS 16 HN LYS 16 106.604 0.538 11.901 140 HA LYS 16 HA LYS 16 105.569 -1.757 13.197 141 HB2 LYS 16 HB2 LYS 16 107.467 0.341 14.282 142 HB3 LYS 16 HB1 LYS 16 107.221 -1.266 14.945 143 HG2 LYS 16 HG2 LYS 16 107.957 -1.008 12.046 144 HG3 LYS 16 HG1 LYS 16 109.208 -0.813 13.270 145 HD2 LYS 16 HD2 LYS 16 109.137 -2.978 13.909 146 HD3 LYS 16 HD1 LYS 16 107.416 -3.158 13.590 147 HE2 LYS 16 HE2 LYS 16 107.890 -3.181 11.172 148 HE3 LYS 16 HE1 LYS 16 109.613 -3.004 11.518 149 HZ1 LYS 16 HZ1 LYS 16 109.737 -5.185 11.771 150 HZ2 LYS 16 HZ2 LYS 16 108.069 -5.353 11.496 151 HZ3 LYS 16 HZ3 LYS 16 108.653 -5.103 13.072 152 H GLN 17 HN GLN 17 105.210 1.705 13.816 153 HA GLN 17 HA GLN 17 103.809 1.377 16.290 154 HB2 GLN 17 HB2 GLN 17 104.941 3.480 15.700 155 HB3 GLN 17 HB1 GLN 17 103.819 3.720 14.363 156 HG2 GLN 17 HG2 GLN 17 103.096 5.045 16.264 157 HG3 GLN 17 HG1 GLN 17 101.943 3.734 16.034 158 HE21 GLN 17 HE21 GLN 17 101.302 3.410 18.222 159 HE22 GLN 17 HE22 GLN 17 102.386 2.961 19.449 160 H ALA 18 HN ALA 18 102.660 2.398 13.066 161 HA ALA 18 HA ALA 18 99.972 2.429 13.485 162 HB1 ALA 18 HB1 ALA 18 99.805 2.551 11.229 163 HB2 ALA 18 HB2 ALA 18 100.724 1.067 10.980 164 HB3 ALA 18 HB3 ALA 18 101.565 2.587 11.273 165 H LEU 19 HN LEU 19 102.063 -0.277 13.597 166 HA LEU 19 HA LEU 19 99.917 -2.236 13.309 167 HB2 LEU 19 HB2 LEU 19 102.870 -2.348 13.719 168 HB3 LEU 19 HB1 LEU 19 101.913 -3.756 14.162 169 HG LEU 19 HG LEU 19 101.446 -2.462 11.494 170 HD11 LEU 19 HD11 LEU 19 103.556 -4.574 11.986 171 HD12 LEU 19 HD12 LEU 19 103.945 -2.865 11.820 172 HD13 LEU 19 HD13 LEU 19 103.208 -3.730 10.481 173 HD21 LEU 19 HD21 LEU 19 101.507 -5.398 12.159 174 HD22 LEU 19 HD22 LEU 19 100.557 -4.563 10.931 175 HD23 LEU 19 HD23 LEU 19 100.117 -4.426 12.632 176 H LYS 20 HN LYS 20 102.145 -1.198 15.900 177 HA LYS 20 HA LYS 20 101.317 -2.774 17.968 178 HB2 LYS 20 HB2 LYS 20 103.087 -1.062 18.149 179 HB3 LYS 20 HB1 LYS 20 101.851 0.194 18.167 180 HG2 LYS 20 HG2 LYS 20 100.894 -0.730 20.225 181 HG3 LYS 20 HG1 LYS 20 102.058 -2.056 20.191 182 HD2 LYS 20 HD2 LYS 20 103.909 -0.435 20.388 183 HD3 LYS 20 HD1 LYS 20 102.743 0.888 20.435 184 HE2 LYS 20 HE2 LYS 20 101.747 -0.046 22.482 185 HE3 LYS 20 HE1 LYS 20 102.888 -1.390 22.433 186 HZ1 LYS 20 HZ1 LYS 20 103.452 0.594 23.903 187 HZ2 LYS 20 HZ2 LYS 20 103.815 1.414 22.460 188 HZ3 LYS 20 HZ3 LYS 20 104.672 0.008 22.881 189 H THR 21 HN THR 21 99.672 0.111 16.760 190 HA THR 21 HA THR 21 97.680 0.288 18.742 191 HB THR 21 HB THR 21 97.906 2.149 17.291 192 HG1 THR 21 HG1 THR 21 95.809 2.166 17.490 193 HG21 THR 21 HG21 THR 21 98.983 1.146 15.413 194 HG22 THR 21 HG22 THR 21 97.487 1.849 14.804 195 HG23 THR 21 HG23 THR 21 97.591 0.112 15.092 196 H ARG 22 HN ARG 22 98.006 -1.771 15.928 197 HA ARG 22 HA ARG 22 95.261 -2.669 16.035 198 HB2 ARG 22 HB2 ARG 22 97.646 -3.374 14.363 199 HB3 ARG 22 HB1 ARG 22 96.266 -4.467 14.405 200 HG2 ARG 22 HG2 ARG 22 94.790 -2.506 13.803 201 HG3 ARG 22 HG1 ARG 22 96.254 -1.546 13.575 202 HD2 ARG 22 HD2 ARG 22 97.042 -3.111 11.876 203 HD3 ARG 22 HD1 ARG 22 95.624 -4.124 12.135 204 HE ARG 22 HE ARG 22 95.136 -1.339 11.368 205 HH11 ARG 22 HH11 ARG 22 93.945 -1.100 9.452 206 HH12 ARG 22 HH12 ARG 22 93.646 -2.477 8.446 207 HH21 ARG 22 HH21 ARG 22 95.354 -4.683 10.501 208 HH22 ARG 22 HH22 ARG 22 94.444 -4.506 9.043 209 H GLY 23 HN GLY 23 97.406 -3.053 18.272 210 HA2 GLY 23 HA2 GLY 23 97.328 -4.603 20.066 211 HA3 GLY 23 HA1 GLY 23 96.419 -5.697 19.029 212 H VAL 24 HN VAL 24 99.345 -4.260 17.826 213 HA VAL 24 HA VAL 24 100.591 -6.926 17.843 214 HB VAL 24 HB VAL 24 101.433 -4.470 16.311 215 HG11 VAL 24 HG11 VAL 24 102.373 -6.415 14.825 216 HG12 VAL 24 HG12 VAL 24 102.240 -7.369 16.300 217 HG13 VAL 24 HG13 VAL 24 103.257 -5.928 16.271 218 HG21 VAL 24 HG21 VAL 24 99.127 -6.136 15.935 219 HG22 VAL 24 HG22 VAL 24 100.266 -6.473 14.631 220 HG23 VAL 24 HG23 VAL 24 99.702 -4.828 14.903 221 H LYS 25 HN LYS 25 103.060 -6.863 18.022 222 HA LYS 25 HA LYS 25 103.806 -5.016 20.199 223 HB2 LYS 25 HB2 LYS 25 104.676 -7.861 19.653 224 HB3 LYS 25 HB1 LYS 25 105.437 -6.821 20.857 225 HG2 LYS 25 HG2 LYS 25 103.295 -6.569 22.023 226 HG3 LYS 25 HG1 LYS 25 102.495 -7.558 20.801 227 HD2 LYS 25 HD2 LYS 25 103.973 -9.459 21.392 228 HD3 LYS 25 HD1 LYS 25 104.726 -8.469 22.642 229 HE2 LYS 25 HE2 LYS 25 102.570 -8.233 23.787 230 HE3 LYS 25 HE1 LYS 25 101.779 -9.171 22.520 231 HZ1 LYS 25 HZ1 LYS 25 102.204 -10.721 24.169 232 HZ2 LYS 25 HZ2 LYS 25 103.729 -10.073 24.543 233 HZ3 LYS 25 HZ3 LYS 25 103.504 -10.946 23.103 234 H VAL 26 HN VAL 26 105.885 -4.111 20.190 235 HA VAL 26 HA VAL 26 107.230 -4.177 17.556 236 HB VAL 26 HB VAL 26 108.062 -1.929 18.104 237 HG11 VAL 26 HG11 VAL 26 105.267 -2.675 17.776 238 HG12 VAL 26 HG12 VAL 26 106.163 -1.353 17.030 239 HG13 VAL 26 HG13 VAL 26 105.426 -1.132 18.616 240 HG21 VAL 26 HG21 VAL 26 107.053 -2.705 20.740 241 HG22 VAL 26 HG22 VAL 26 106.460 -1.122 20.242 242 HG23 VAL 26 HG23 VAL 26 108.195 -1.431 20.312 243 H LYS 27 HN LYS 27 108.538 -5.969 18.057 244 HA LYS 27 HA LYS 27 110.550 -5.536 20.179 245 HB2 LYS 27 HB2 LYS 27 110.979 -8.000 19.937 246 HB3 LYS 27 HB1 LYS 27 109.366 -7.596 20.528 247 HG2 LYS 27 HG2 LYS 27 108.380 -7.982 18.383 248 HG3 LYS 27 HG1 LYS 27 109.959 -8.076 17.601 249 HD2 LYS 27 HD2 LYS 27 110.488 -10.114 18.854 250 HD3 LYS 27 HD1 LYS 27 108.936 -10.017 19.695 251 HE2 LYS 27 HE2 LYS 27 107.752 -10.242 17.545 252 HE3 LYS 27 HE1 LYS 27 109.297 -10.320 16.697 253 HZ1 LYS 27 HZ1 LYS 27 108.256 -12.251 18.696 254 HZ2 LYS 27 HZ2 LYS 27 109.838 -12.286 18.074 255 HZ3 LYS 27 HZ3 LYS 27 108.509 -12.529 17.042 256 H TYR 28 HN TYR 28 112.751 -6.335 19.687 257 HA TYR 28 HA TYR 28 113.739 -5.181 17.294 258 HB2 TYR 28 HB2 TYR 28 114.991 -6.989 19.358 259 HB3 TYR 28 HB1 TYR 28 115.886 -6.356 17.975 260 HD1 TYR 28 HD1 TYR 28 114.267 -5.532 21.165 261 HD2 TYR 28 HD2 TYR 28 116.295 -3.942 17.728 262 HE1 TYR 28 HE1 TYR 28 114.605 -3.385 22.358 263 HE2 TYR 28 HE2 TYR 28 116.633 -1.795 18.921 264 HH TYR 28 HH TYR 28 116.768 -1.166 21.566 265 H ALA 29 HN ALA 29 113.001 -8.498 18.249 266 HA ALA 29 HA ALA 29 114.183 -9.865 16.118 267 HB1 ALA 29 HB1 ALA 29 113.251 -11.681 17.051 268 HB2 ALA 29 HB2 ALA 29 111.626 -11.004 16.969 269 HB3 ALA 29 HB3 ALA 29 112.693 -10.584 18.312 270 H ASP 30 HN ASP 30 111.309 -7.943 16.235 271 HA ASP 30 HA ASP 30 110.093 -9.003 13.851 272 HB2 ASP 30 HB2 ASP 30 109.607 -6.614 15.593 273 HB3 ASP 30 HB1 ASP 30 108.880 -6.666 13.995 274 H LEU 31 HN LEU 31 112.241 -6.290 14.565 275 HA LEU 31 HA LEU 31 112.147 -5.105 11.977 276 HB2 LEU 31 HB2 LEU 31 114.138 -5.085 14.243 277 HB3 LEU 31 HB1 LEU 31 114.519 -4.300 12.715 278 HG LEU 31 HG LEU 31 111.943 -3.378 13.332 279 HD11 LEU 31 HD11 LEU 31 112.329 -4.369 15.620 280 HD12 LEU 31 HD12 LEU 31 112.073 -2.622 15.637 281 HD13 LEU 31 HD13 LEU 31 113.701 -3.277 15.803 282 HD21 LEU 31 HD21 LEU 31 114.683 -2.167 13.795 283 HD22 LEU 31 HD22 LEU 31 113.176 -1.253 13.823 284 HD23 LEU 31 HD23 LEU 31 113.703 -2.037 12.336 285 H LEU 32 HN LEU 32 114.247 -7.622 13.366 286 HA LEU 32 HA LEU 32 116.118 -7.842 11.350 287 HB2 LEU 32 HB2 LEU 32 114.766 -10.169 12.705 288 HB3 LEU 32 HB1 LEU 32 116.386 -10.139 12.009 289 HG LEU 32 HG LEU 32 115.462 -8.395 14.327 290 HD11 LEU 32 HD11 LEU 32 115.749 -10.944 14.689 291 HD12 LEU 32 HD12 LEU 32 116.605 -9.852 15.778 292 HD13 LEU 32 HD13 LEU 32 117.471 -10.640 14.459 293 HD21 LEU 32 HD21 LEU 32 117.205 -7.196 13.336 294 HD22 LEU 32 HD22 LEU 32 118.011 -8.648 12.746 295 HD23 LEU 32 HD23 LEU 32 118.097 -8.227 14.454 296 H LYS 33 HN LYS 33 113.060 -9.669 11.512 297 HA LYS 33 HA LYS 33 113.323 -10.694 8.847 298 HB2 LYS 33 HB2 LYS 33 112.093 -11.863 10.670 299 HB3 LYS 33 HB1 LYS 33 110.852 -10.612 10.573 300 HG2 LYS 33 HG2 LYS 33 110.405 -11.174 8.240 301 HG3 LYS 33 HG1 LYS 33 111.718 -12.353 8.242 302 HD2 LYS 33 HD2 LYS 33 110.545 -13.638 10.007 303 HD3 LYS 33 HD1 LYS 33 109.221 -12.476 9.960 304 HE2 LYS 33 HE2 LYS 33 110.147 -14.068 7.555 305 HE3 LYS 33 HE1 LYS 33 108.804 -14.548 8.591 306 HZ1 LYS 33 HZ1 LYS 33 107.745 -12.413 8.100 307 HZ2 LYS 33 HZ2 LYS 33 107.993 -13.335 6.695 308 HZ3 LYS 33 HZ3 LYS 33 109.014 -12.022 7.046 309 H PHE 34 HN PHE 34 111.086 -8.316 10.312 310 HA PHE 34 HA PHE 34 109.704 -7.651 7.970 311 HB2 PHE 34 HB2 PHE 34 109.243 -7.033 10.441 312 HB3 PHE 34 HB1 PHE 34 110.292 -5.650 10.129 313 HD1 PHE 34 HD1 PHE 34 109.309 -3.695 9.321 314 HD2 PHE 34 HD2 PHE 34 107.435 -7.476 8.521 315 HE1 PHE 34 HE1 PHE 34 107.430 -2.532 8.201 316 HE2 PHE 34 HE2 PHE 34 105.563 -6.306 7.390 317 HZ PHE 34 HZ PHE 34 105.564 -3.831 7.227 318 H PHE 35 HN PHE 35 112.673 -6.284 9.310 319 HA PHE 35 HA PHE 35 112.892 -4.111 7.446 320 HB2 PHE 35 HB2 PHE 35 114.046 -4.342 9.711 321 HB3 PHE 35 HB1 PHE 35 115.197 -5.418 8.913 322 HD1 PHE 35 HD1 PHE 35 116.240 -4.443 6.645 323 HD2 PHE 35 HD2 PHE 35 114.375 -2.075 9.712 324 HE1 PHE 35 HE1 PHE 35 117.376 -2.425 5.772 325 HE2 PHE 35 HE2 PHE 35 115.520 -0.054 8.833 326 HZ PHE 35 HZ PHE 35 117.019 -0.229 6.866 327 H ASP 36 HN ASP 36 114.335 -7.361 7.720 328 HA ASP 36 HA ASP 36 115.831 -7.207 5.274 329 HB2 ASP 36 HB2 ASP 36 115.062 -9.571 6.998 330 HB3 ASP 36 HB1 ASP 36 116.065 -9.702 5.554 331 H PHE 37 HN PHE 37 112.568 -7.957 6.027 332 HA PHE 37 HA PHE 37 111.906 -9.629 3.841 333 HB2 PHE 37 HB2 PHE 37 110.473 -9.278 5.861 334 HB3 PHE 37 HB1 PHE 37 110.105 -7.659 5.273 335 HD1 PHE 37 HD1 PHE 37 108.483 -7.321 3.554 336 HD2 PHE 37 HD2 PHE 37 109.886 -11.276 4.469 337 HE1 PHE 37 HE1 PHE 37 106.712 -8.285 2.113 338 HE2 PHE 37 HE2 PHE 37 108.117 -12.239 3.023 339 HZ PHE 37 HZ PHE 37 106.529 -10.743 1.843 340 H VAL 38 HN VAL 38 111.293 -6.130 4.305 341 HA VAL 38 HA VAL 38 110.531 -5.765 1.561 342 HB VAL 38 HB VAL 38 110.908 -3.275 2.195 343 HG11 VAL 38 HG11 VAL 38 108.768 -3.250 3.427 344 HG12 VAL 38 HG12 VAL 38 108.930 -4.984 3.743 345 HG13 VAL 38 HG13 VAL 38 108.698 -4.409 2.091 346 HG21 VAL 38 HG21 VAL 38 110.773 -4.350 4.984 347 HG22 VAL 38 HG22 VAL 38 111.309 -2.768 4.431 348 HG23 VAL 38 HG23 VAL 38 112.343 -4.177 4.208 349 H LYS 39 HN LYS 39 113.520 -5.252 3.378 350 HA LYS 39 HA LYS 39 115.008 -3.815 1.500 351 HB2 LYS 39 HB2 LYS 39 115.745 -4.389 3.816 352 HB3 LYS 39 HB1 LYS 39 116.031 -6.041 3.274 353 HG2 LYS 39 HG2 LYS 39 117.653 -5.222 1.604 354 HG3 LYS 39 HG1 LYS 39 117.366 -3.567 2.141 355 HD2 LYS 39 HD2 LYS 39 118.149 -4.167 4.406 356 HD3 LYS 39 HD1 LYS 39 118.454 -5.817 3.855 357 HE2 LYS 39 HE2 LYS 39 120.085 -5.007 2.221 358 HE3 LYS 39 HE1 LYS 39 119.755 -3.338 2.686 359 HZ1 LYS 39 HZ1 LYS 39 121.612 -5.034 3.803 360 HZ2 LYS 39 HZ2 LYS 39 120.368 -4.928 4.956 361 HZ3 LYS 39 HZ3 LYS 39 121.134 -3.518 4.394 362 H ASP 40 HN ASP 40 114.266 -7.265 1.633 363 HA ASP 40 HA ASP 40 116.049 -8.411 -0.061 364 HB2 ASP 40 HB2 ASP 40 113.048 -8.762 -0.002 365 HB3 ASP 40 HB1 ASP 40 114.130 -9.817 -0.909 366 H THR 41 HN THR 41 112.990 -6.987 -1.270 367 HA THR 41 HA THR 41 114.377 -6.417 -3.821 368 HB THR 41 HB THR 41 111.996 -6.443 -4.760 369 HG1 THR 41 HG1 THR 41 111.645 -7.389 -2.144 370 HG21 THR 41 HG21 THR 41 113.683 -8.240 -5.095 371 HG22 THR 41 HG22 THR 41 112.042 -8.876 -4.999 372 HG23 THR 41 HG23 THR 41 113.122 -9.012 -3.612 373 H CYS 42 HN CYS 42 113.406 -4.931 -1.097 374 HA CYS 42 HA CYS 42 112.514 -2.852 -0.546 375 HB2 CYS 42 HB2 CYS 42 113.822 -1.026 -1.669 376 HB3 CYS 42 HB1 CYS 42 114.814 -2.305 -0.966 377 HG CYS 42 HG CYS 42 114.135 -2.332 -4.016 378 HA PRO 43 HA PRO 43 109.713 -2.678 -4.285 379 HB2 PRO 43 HB2 PRO 43 107.537 -3.422 -2.476 380 HB3 PRO 43 HB1 PRO 43 108.075 -4.221 -3.962 381 HG2 PRO 43 HG2 PRO 43 108.399 -5.275 -1.510 382 HG3 PRO 43 HG1 PRO 43 109.497 -5.602 -2.855 383 HD2 PRO 43 HD2 PRO 43 109.860 -3.731 -0.528 384 HD3 PRO 43 HD1 PRO 43 111.038 -4.796 -1.317 385 H TRP 44 HN TRP 44 109.829 -1.327 -1.150 386 HA TRP 44 HA TRP 44 107.635 0.482 -1.339 387 HB2 TRP 44 HB2 TRP 44 109.754 -0.133 0.537 388 HB3 TRP 44 HB1 TRP 44 109.524 1.608 0.390 389 HD1 TRP 44 HD1 TRP 44 107.472 2.638 1.515 390 HE1 TRP 44 HE1 TRP 44 105.430 1.696 2.776 391 HE3 TRP 44 HE3 TRP 44 108.073 -2.346 0.573 392 HZ2 TRP 44 HZ2 TRP 44 104.216 -0.832 3.310 393 HZ3 TRP 44 HZ3 TRP 44 106.460 -3.999 1.471 394 HH2 TRP 44 HH2 TRP 44 104.534 -3.251 2.839 395 H PHE 45 HN PHE 45 109.656 0.396 -3.587 396 HA PHE 45 HA PHE 45 110.685 1.836 -5.009 397 HB2 PHE 45 HB2 PHE 45 108.406 3.308 -3.886 398 HB3 PHE 45 HB1 PHE 45 109.660 4.306 -4.625 399 HD1 PHE 45 HD1 PHE 45 106.734 2.524 -5.306 400 HD2 PHE 45 HD2 PHE 45 110.653 3.240 -6.911 401 HE1 PHE 45 HE1 PHE 45 105.930 1.873 -7.555 402 HE2 PHE 45 HE2 PHE 45 109.848 2.587 -9.164 403 HZ PHE 45 HZ PHE 45 107.487 1.902 -9.487 404 HA PRO 46 HA PRO 46 113.580 3.413 -1.810 405 HB2 PRO 46 HB2 PRO 46 115.878 2.712 -3.112 406 HB3 PRO 46 HB1 PRO 46 114.958 1.602 -2.082 407 HG2 PRO 46 HG2 PRO 46 115.072 1.785 -5.032 408 HG3 PRO 46 HG1 PRO 46 114.898 0.374 -3.980 409 HD2 PRO 46 HD2 PRO 46 112.817 1.551 -5.357 410 HD3 PRO 46 HD1 PRO 46 112.622 0.548 -3.914 411 H GLN 47 HN GLN 47 112.884 4.295 -4.988 412 HA GLN 47 HA GLN 47 114.968 6.298 -5.262 413 HB2 GLN 47 HB2 GLN 47 112.444 5.845 -6.872 414 HB3 GLN 47 HB1 GLN 47 113.799 6.874 -7.337 415 HG2 GLN 47 HG2 GLN 47 113.989 3.886 -6.837 416 HG3 GLN 47 HG1 GLN 47 113.910 4.637 -8.429 417 HE21 GLN 47 HE21 GLN 47 116.154 3.135 -6.806 418 HE22 GLN 47 HE22 GLN 47 117.501 4.146 -7.019 419 H GLU 48 HN GLU 48 111.421 6.394 -5.049 420 HA GLU 48 HA GLU 48 111.526 9.207 -4.188 421 HB2 GLU 48 HB2 GLU 48 108.955 8.895 -4.298 422 HB3 GLU 48 HB1 GLU 48 109.852 8.960 -5.804 423 HG2 GLU 48 HG2 GLU 48 109.894 6.457 -5.838 424 HG3 GLU 48 HG1 GLU 48 108.912 6.460 -4.376 425 H GLY 49 HN GLY 49 111.241 6.065 -2.873 426 HA2 GLY 49 HA2 GLY 49 110.944 5.312 -0.717 427 HA3 GLY 49 HA1 GLY 49 111.210 6.972 -0.189 428 H THR 50 HN THR 50 108.738 4.852 -1.632 429 HA THR 50 HA THR 50 106.709 6.034 0.105 430 HB THR 50 HB THR 50 106.812 7.363 -2.073 431 HG1 THR 50 HG1 THR 50 104.515 5.999 -1.157 432 HG21 THR 50 HG21 THR 50 105.445 4.901 -3.194 433 HG22 THR 50 HG22 THR 50 107.163 5.238 -3.447 434 HG23 THR 50 HG23 THR 50 105.942 6.360 -4.052 435 H ILE 51 HN ILE 51 104.566 4.882 -0.221 436 HA ILE 51 HA ILE 51 105.092 2.018 -0.324 437 HB ILE 51 HB ILE 51 102.387 3.220 0.144 438 HG12 ILE 51 HG12 ILE 51 104.745 3.211 2.030 439 HG13 ILE 51 HG11 ILE 51 103.739 4.587 1.565 440 HG21 ILE 51 HG21 ILE 51 102.013 1.253 1.381 441 HG22 ILE 51 HG22 ILE 51 103.733 0.965 1.613 442 HG23 ILE 51 HG23 ILE 51 103.001 0.695 0.033 443 HD11 ILE 51 HD11 ILE 51 102.870 4.053 3.653 444 HD12 ILE 51 HD12 ILE 51 103.103 2.320 3.421 445 HD13 ILE 51 HD13 ILE 51 101.798 3.160 2.580 446 H ASP 52 HN ASP 52 103.910 0.558 -1.692 447 HA ASP 52 HA ASP 52 102.413 1.768 -3.906 448 HB2 ASP 52 HB2 ASP 52 104.730 1.518 -4.672 449 HB3 ASP 52 HB1 ASP 52 104.698 -0.170 -4.189 450 H ILE 53 HN ILE 53 100.569 0.748 -4.081 451 HA ILE 53 HA ILE 53 99.968 -1.686 -2.697 452 HB ILE 53 HB ILE 53 98.317 -0.337 -4.846 453 HG12 ILE 53 HG12 ILE 53 98.913 1.287 -3.114 454 HG13 ILE 53 HG11 ILE 53 97.227 0.832 -2.895 455 HG21 ILE 53 HG21 ILE 53 97.591 -2.615 -4.258 456 HG22 ILE 53 HG22 ILE 53 96.445 -1.442 -3.610 457 HG23 ILE 53 HG23 ILE 53 97.628 -2.201 -2.544 458 HD11 ILE 53 HD11 ILE 53 98.241 -0.988 -1.249 459 HD12 ILE 53 HD12 ILE 53 98.062 0.675 -0.699 460 HD13 ILE 53 HD13 ILE 53 99.636 0.090 -1.241 461 H LYS 54 HN LYS 54 100.557 -0.882 -6.094 462 HA LYS 54 HA LYS 54 99.894 -3.407 -7.179 463 HB2 LYS 54 HB2 LYS 54 101.834 -1.296 -8.155 464 HB3 LYS 54 HB1 LYS 54 101.304 -2.682 -9.104 465 HG2 LYS 54 HG2 LYS 54 98.948 -1.933 -8.851 466 HG3 LYS 54 HG1 LYS 54 99.513 -0.515 -7.967 467 HD2 LYS 54 HD2 LYS 54 100.848 0.174 -9.938 468 HD3 LYS 54 HD1 LYS 54 100.247 -1.230 -10.822 469 HE2 LYS 54 HE2 LYS 54 97.948 -0.415 -10.618 470 HE3 LYS 54 HE1 LYS 54 98.500 0.963 -9.666 471 HZ1 LYS 54 HZ1 LYS 54 100.032 0.928 -11.971 472 HZ2 LYS 54 HZ2 LYS 54 98.813 2.039 -11.559 473 HZ3 LYS 54 HZ3 LYS 54 98.435 0.659 -12.474 474 H ARG 55 HN ARG 55 103.110 -2.063 -6.389 475 HA ARG 55 HA ARG 55 104.502 -4.482 -6.910 476 HB2 ARG 55 HB2 ARG 55 105.252 -2.004 -5.358 477 HB3 ARG 55 HB1 ARG 55 106.348 -3.361 -5.559 478 HG2 ARG 55 HG2 ARG 55 106.234 -3.144 -7.979 479 HG3 ARG 55 HG1 ARG 55 105.027 -1.863 -7.838 480 HD2 ARG 55 HD2 ARG 55 106.661 -0.470 -6.616 481 HD3 ARG 55 HD1 ARG 55 107.866 -1.743 -6.777 482 HE ARG 55 HE ARG 55 106.951 0.063 -8.872 483 HH11 ARG 55 HH11 ARG 55 108.137 -0.056 -10.805 484 HH12 ARG 55 HH12 ARG 55 109.239 -1.367 -11.060 485 HH21 ARG 55 HH21 ARG 55 108.587 -2.858 -7.998 486 HH22 ARG 55 HH22 ARG 55 109.494 -2.953 -9.469 487 H TRP 56 HN TRP 56 103.009 -3.115 -4.023 488 HA TRP 56 HA TRP 56 104.118 -4.779 -2.105 489 HB2 TRP 56 HB2 TRP 56 102.805 -2.971 -1.336 490 HB3 TRP 56 HB1 TRP 56 101.401 -3.496 -2.266 491 HD1 TRP 56 HD1 TRP 56 99.649 -4.517 -0.775 492 HE1 TRP 56 HE1 TRP 56 99.631 -5.983 1.344 493 HE3 TRP 56 HE3 TRP 56 104.673 -4.975 0.034 494 HZ2 TRP 56 HZ2 TRP 56 101.500 -7.194 3.142 495 HZ3 TRP 56 HZ3 TRP 56 105.525 -6.286 1.943 496 HH2 TRP 56 HH2 TRP 56 103.952 -7.399 3.496 497 H ARG 57 HN ARG 57 101.473 -5.342 -4.322 498 HA ARG 57 HA ARG 57 100.632 -7.826 -3.206 499 HB2 ARG 57 HB2 ARG 57 99.189 -6.488 -4.707 500 HB3 ARG 57 HB1 ARG 57 100.299 -6.810 -6.041 501 HG2 ARG 57 HG2 ARG 57 99.892 -9.230 -5.807 502 HG3 ARG 57 HG1 ARG 57 98.804 -8.920 -4.453 503 HD2 ARG 57 HD2 ARG 57 97.413 -7.502 -5.988 504 HD3 ARG 57 HD1 ARG 57 98.443 -8.020 -7.320 505 HE ARG 57 HE ARG 57 97.379 -10.244 -5.849 506 HH11 ARG 57 HH11 ARG 57 95.795 -11.485 -6.903 507 HH12 ARG 57 HH12 ARG 57 94.988 -10.848 -8.297 508 HH21 ARG 57 HH21 ARG 57 96.720 -7.843 -8.251 509 HH22 ARG 57 HH22 ARG 57 95.513 -8.785 -9.061 510 H ARG 58 HN ARG 58 102.928 -6.907 -5.745 511 HA ARG 58 HA ARG 58 103.499 -9.489 -6.712 512 HB2 ARG 58 HB2 ARG 58 104.825 -6.845 -6.768 513 HB3 ARG 58 HB1 ARG 58 105.868 -8.241 -7.044 514 HG2 ARG 58 HG2 ARG 58 104.393 -9.028 -8.830 515 HG3 ARG 58 HG1 ARG 58 103.285 -7.688 -8.530 516 HD2 ARG 58 HD2 ARG 58 106.193 -7.299 -9.272 517 HD3 ARG 58 HD1 ARG 58 104.894 -7.334 -10.459 518 HE ARG 58 HE ARG 58 105.450 -5.200 -8.556 519 HH11 ARG 58 HH11 ARG 58 104.190 -3.329 -8.855 520 HH12 ARG 58 HH12 ARG 58 102.809 -3.379 -9.898 521 HH21 ARG 58 HH21 ARG 58 103.222 -6.720 -10.727 522 HH22 ARG 58 HH22 ARG 58 102.260 -5.298 -10.958 523 H VAL 59 HN VAL 59 105.168 -7.604 -4.185 524 HA VAL 59 HA VAL 59 107.057 -9.643 -3.522 525 HB VAL 59 HB VAL 59 107.522 -7.353 -2.898 526 HG11 VAL 59 HG11 VAL 59 105.133 -7.484 -1.045 527 HG12 VAL 59 HG12 VAL 59 105.088 -6.745 -2.642 528 HG13 VAL 59 HG13 VAL 59 106.145 -6.084 -1.404 529 HG21 VAL 59 HG21 VAL 59 108.478 -7.869 -0.899 530 HG22 VAL 59 HG22 VAL 59 107.840 -9.484 -1.218 531 HG23 VAL 59 HG23 VAL 59 106.942 -8.368 -0.184 532 H GLY 60 HN GLY 60 103.914 -8.718 -2.165 533 HA2 GLY 60 HA2 GLY 60 103.881 -10.493 0.019 534 HA3 GLY 60 HA1 GLY 60 102.452 -9.841 -0.775 535 H ASP 61 HN ASP 61 102.577 -10.901 -3.278 536 HA ASP 61 HA ASP 61 101.708 -13.584 -2.846 537 HB2 ASP 61 HB2 ASP 61 100.726 -12.157 -4.591 538 HB3 ASP 61 HB1 ASP 61 102.274 -12.122 -5.433 539 H CYS 62 HN CYS 62 104.622 -12.130 -4.187 540 HA CYS 62 HA CYS 62 105.825 -14.416 -5.274 541 HB2 CYS 62 HB2 CYS 62 106.899 -11.862 -4.128 542 HB3 CYS 62 HB1 CYS 62 108.006 -13.139 -4.623 543 HG CYS 62 HG CYS 62 106.172 -11.515 -6.530 544 H PHE 63 HN PHE 63 105.946 -13.129 -1.962 545 HA PHE 63 HA PHE 63 107.671 -15.232 -1.017 546 HB2 PHE 63 HB2 PHE 63 106.270 -12.894 0.178 547 HB3 PHE 63 HB1 PHE 63 106.703 -14.224 1.256 548 HD1 PHE 63 HD1 PHE 63 108.086 -11.848 -1.267 549 HD2 PHE 63 HD2 PHE 63 108.943 -14.598 1.919 550 HE1 PHE 63 HE1 PHE 63 110.445 -11.082 -1.241 551 HE2 PHE 63 HE2 PHE 63 111.303 -13.831 1.946 552 HZ PHE 63 HZ PHE 63 112.052 -12.075 0.365 553 H GLN 64 HN GLN 64 104.210 -14.595 -1.079 554 HA GLN 64 HA GLN 64 103.407 -16.617 0.710 555 HB2 GLN 64 HB2 GLN 64 101.921 -14.802 -0.091 556 HB3 GLN 64 HB1 GLN 64 101.903 -15.561 -1.682 557 HG2 GLN 64 HG2 GLN 64 100.848 -17.544 -0.812 558 HG3 GLN 64 HG1 GLN 64 101.039 -16.979 0.847 559 HE21 GLN 64 HE21 GLN 64 98.468 -17.625 -0.408 560 HE22 GLN 64 HE22 GLN 64 97.562 -16.190 -0.440 561 H ASP 65 HN ASP 65 103.737 -16.662 -2.827 562 HA ASP 65 HA ASP 65 102.915 -19.323 -3.211 563 HB2 ASP 65 HB2 ASP 65 103.078 -17.841 -5.083 564 HB3 ASP 65 HB1 ASP 65 104.785 -17.543 -4.762 565 H TYR 66 HN TYR 66 106.208 -17.954 -2.882 566 HA TYR 66 HA TYR 66 107.576 -20.417 -3.018 567 HB2 TYR 66 HB2 TYR 66 108.208 -17.663 -2.150 568 HB3 TYR 66 HB1 TYR 66 109.217 -18.933 -1.458 569 HD1 TYR 66 HD1 TYR 66 109.987 -20.796 -3.198 570 HD2 TYR 66 HD2 TYR 66 108.831 -16.789 -4.231 571 HE1 TYR 66 HE1 TYR 66 111.254 -20.977 -5.322 572 HE2 TYR 66 HE2 TYR 66 110.099 -16.972 -6.355 573 HH TYR 66 HH TYR 66 111.416 -20.000 -7.454 574 H TYR 67 HN TYR 67 106.365 -18.576 -0.236 575 HA TYR 67 HA TYR 67 107.365 -20.289 1.770 576 HB2 TYR 67 HB2 TYR 67 106.503 -18.007 2.202 577 HB3 TYR 67 HB1 TYR 67 104.876 -18.571 1.847 578 HD1 TYR 67 HD1 TYR 67 103.551 -19.340 3.611 579 HD2 TYR 67 HD2 TYR 67 107.829 -19.447 3.984 580 HE1 TYR 67 HE1 TYR 67 103.328 -20.148 5.943 581 HE2 TYR 67 HE2 TYR 67 107.605 -20.251 6.320 582 HH TYR 67 HH TYR 67 104.597 -21.319 7.614 583 H ASN 68 HN ASN 68 104.382 -20.334 -0.120 584 HA ASN 68 HA ASN 68 103.001 -22.304 1.341 585 HB2 ASN 68 HB2 ASN 68 102.884 -21.414 -1.534 586 HB3 ASN 68 HB1 ASN 68 101.848 -22.701 -0.917 587 HD21 ASN 68 HD21 ASN 68 100.729 -20.236 -1.836 588 HD22 ASN 68 HD22 ASN 68 100.079 -19.415 -0.501 589 H THR 69 HN THR 69 105.333 -22.566 -1.319 590 HA THR 69 HA THR 69 105.074 -25.248 -1.984 591 HB THR 69 HB THR 69 107.420 -25.171 -2.702 592 HG1 THR 69 HG1 THR 69 108.539 -24.154 -1.185 593 HG21 THR 69 HG21 THR 69 107.199 -22.640 -3.689 594 HG22 THR 69 HG22 THR 69 105.526 -22.961 -3.239 595 HG23 THR 69 HG23 THR 69 106.355 -24.035 -4.363 596 H PHE 70 HN PHE 70 106.476 -23.836 0.882 597 HA PHE 70 HA PHE 70 107.721 -26.293 1.712 598 HB2 PHE 70 HB2 PHE 70 107.190 -23.669 3.111 599 HB3 PHE 70 HB1 PHE 70 107.983 -25.031 3.901 600 HD1 PHE 70 HD1 PHE 70 108.291 -22.427 1.327 601 HD2 PHE 70 HD2 PHE 70 110.193 -25.806 3.174 602 HE1 PHE 70 HE1 PHE 70 110.446 -21.786 0.279 603 HE2 PHE 70 HE2 PHE 70 112.348 -25.166 2.127 604 HZ PHE 70 HZ PHE 70 112.474 -23.155 0.679 605 H GLY 71 HN GLY 71 104.657 -25.846 1.239 606 HA2 GLY 71 HA2 GLY 71 102.656 -26.427 2.252 607 HA3 GLY 71 HA1 GLY 71 103.580 -27.853 2.714 608 HA PRO 72 HA PRO 72 104.002 -25.066 6.543 609 HB2 PRO 72 HB2 PRO 72 103.201 -22.470 6.437 610 HB3 PRO 72 HB1 PRO 72 104.808 -23.005 5.912 611 HG2 PRO 72 HG2 PRO 72 102.444 -22.261 4.293 612 HG3 PRO 72 HG1 PRO 72 104.165 -22.054 3.955 613 HD2 PRO 72 HD2 PRO 72 102.567 -24.052 2.870 614 HD3 PRO 72 HD1 PRO 72 104.337 -24.056 2.932 615 H GLU 73 HN GLU 73 102.576 -25.465 8.149 616 HA GLU 73 HA GLU 73 99.725 -25.436 7.555 617 HB2 GLU 73 HB2 GLU 73 101.379 -26.455 9.855 618 HB3 GLU 73 HB1 GLU 73 99.620 -26.407 9.912 619 HG2 GLU 73 HG2 GLU 73 99.491 -27.793 7.890 620 HG3 GLU 73 HG1 GLU 73 101.248 -27.798 7.763 621 H LYS 74 HN LYS 74 102.060 -23.763 9.541 622 HA LYS 74 HA LYS 74 100.293 -22.399 11.245 623 HB2 LYS 74 HB2 LYS 74 102.865 -21.188 10.245 624 HB3 LYS 74 HB1 LYS 74 102.112 -21.023 11.834 625 HG2 LYS 74 HG2 LYS 74 103.429 -23.497 10.673 626 HG3 LYS 74 HG1 LYS 74 103.969 -22.570 12.073 627 HD2 LYS 74 HD2 LYS 74 101.654 -23.124 13.084 628 HD3 LYS 74 HD1 LYS 74 101.544 -24.343 11.809 629 HE2 LYS 74 HE2 LYS 74 103.665 -25.340 12.575 630 HE3 LYS 74 HE1 LYS 74 103.769 -24.134 13.858 631 HZ1 LYS 74 HZ1 LYS 74 102.700 -26.466 14.287 632 HZ2 LYS 74 HZ2 LYS 74 101.319 -25.726 13.630 633 HZ3 LYS 74 HZ3 LYS 74 102.062 -25.073 15.012 634 H VAL 75 HN VAL 75 101.693 -21.426 8.104 635 HA VAL 75 HA VAL 75 101.294 -19.462 6.882 636 HB VAL 75 HB VAL 75 98.646 -20.879 7.094 637 HG11 VAL 75 HG11 VAL 75 99.492 -18.419 5.675 638 HG12 VAL 75 HG12 VAL 75 97.879 -18.936 6.166 639 HG13 VAL 75 HG13 VAL 75 98.613 -19.598 4.704 640 HG21 VAL 75 HG21 VAL 75 100.888 -21.886 6.126 641 HG22 VAL 75 HG22 VAL 75 100.537 -20.832 4.756 642 HG23 VAL 75 HG23 VAL 75 99.384 -22.088 5.222 643 HA PRO 76 HA PRO 76 99.789 -16.932 10.475 644 HB2 PRO 76 HB2 PRO 76 101.629 -15.003 9.142 645 HB3 PRO 76 HB1 PRO 76 101.495 -15.427 10.859 646 HG2 PRO 76 HG2 PRO 76 103.528 -16.292 9.383 647 HG3 PRO 76 HG1 PRO 76 102.794 -17.315 10.631 648 HD2 PRO 76 HD2 PRO 76 102.481 -17.441 7.660 649 HD3 PRO 76 HD1 PRO 76 102.554 -18.772 8.841 650 H VAL 77 HN VAL 77 97.922 -15.913 10.256 651 HA VAL 77 HA VAL 77 97.054 -14.947 7.658 652 HB VAL 77 HB VAL 77 95.637 -14.982 10.336 653 HG11 VAL 77 HG11 VAL 77 93.669 -14.793 8.498 654 HG12 VAL 77 HG12 VAL 77 94.928 -13.889 7.660 655 HG13 VAL 77 HG13 VAL 77 94.396 -13.381 9.263 656 HG21 VAL 77 HG21 VAL 77 96.248 -17.102 8.576 657 HG22 VAL 77 HG22 VAL 77 94.592 -16.655 8.160 658 HG23 VAL 77 HG23 VAL 77 94.985 -17.120 9.813 659 H THR 78 HN THR 78 98.495 -13.633 10.470 660 HA THR 78 HA THR 78 97.558 -11.101 10.768 661 HB THR 78 HB THR 78 99.818 -10.427 11.394 662 HG1 THR 78 HG1 THR 78 101.203 -11.178 9.973 663 HG21 THR 78 HG21 THR 78 99.341 -13.345 12.072 664 HG22 THR 78 HG22 THR 78 98.586 -11.983 12.900 665 HG23 THR 78 HG23 THR 78 100.331 -12.212 12.991 666 H ALA 79 HN ALA 79 99.137 -12.395 7.969 667 HA ALA 79 HA ALA 79 100.077 -10.088 6.718 668 HB1 ALA 79 HB1 ALA 79 98.893 -11.819 4.768 669 HB2 ALA 79 HB2 ALA 79 99.649 -12.802 6.022 670 HB3 ALA 79 HB3 ALA 79 100.601 -11.594 5.151 671 H PHE 80 HN PHE 80 96.856 -11.150 7.292 672 HA PHE 80 HA PHE 80 95.538 -9.707 5.219 673 HB2 PHE 80 HB2 PHE 80 94.536 -11.631 6.497 674 HB3 PHE 80 HB1 PHE 80 94.369 -10.553 7.881 675 HD1 PHE 80 HD1 PHE 80 93.646 -10.571 4.196 676 HD2 PHE 80 HD2 PHE 80 92.341 -9.419 8.125 677 HE1 PHE 80 HE1 PHE 80 91.542 -9.679 3.236 678 HE2 PHE 80 HE2 PHE 80 90.236 -8.529 7.164 679 HZ PHE 80 HZ PHE 80 89.836 -8.658 4.719 680 H SER 81 HN SER 81 96.397 -8.972 8.584 681 HA SER 81 HA SER 81 94.994 -6.531 8.779 682 HB2 SER 81 HB2 SER 81 97.534 -7.368 10.185 683 HB3 SER 81 HB1 SER 81 96.444 -6.081 10.687 684 HG SER 81 HG SER 81 94.920 -8.150 10.358 685 H TYR 82 HN TYR 82 98.290 -7.306 7.720 686 HA TYR 82 HA TYR 82 99.264 -4.692 7.467 687 HB2 TYR 82 HB2 TYR 82 99.902 -7.287 6.114 688 HB3 TYR 82 HB1 TYR 82 100.661 -5.798 5.561 689 HD1 TYR 82 HD1 TYR 82 102.410 -4.784 6.759 690 HD2 TYR 82 HD2 TYR 82 100.126 -7.940 8.570 691 HE1 TYR 82 HE1 TYR 82 104.025 -4.883 8.642 692 HE2 TYR 82 HE2 TYR 82 101.738 -8.032 10.453 693 HH TYR 82 HH TYR 82 104.771 -6.558 10.343 694 H TRP 83 HN TRP 83 97.606 -6.748 5.066 695 HA TRP 83 HA TRP 83 97.701 -4.967 2.913 696 HB2 TRP 83 HB2 TRP 83 96.954 -7.225 2.571 697 HB3 TRP 83 HB1 TRP 83 95.606 -7.005 3.685 698 HD1 TRP 83 HD1 TRP 83 93.454 -5.854 2.797 699 HE1 TRP 83 HE1 TRP 83 92.693 -5.045 0.470 700 HE3 TRP 83 HE3 TRP 83 97.883 -6.144 0.272 701 HZ2 TRP 83 HZ2 TRP 83 93.815 -4.583 -2.120 702 HZ3 TRP 83 HZ3 TRP 83 98.008 -5.514 -2.121 703 HH2 TRP 83 HH2 TRP 83 95.982 -4.735 -3.320 704 H ASN 84 HN ASN 84 95.199 -5.323 5.427 705 HA ASN 84 HA ASN 84 93.551 -3.211 4.484 706 HB2 ASN 84 HB2 ASN 84 93.782 -4.628 7.130 707 HB3 ASN 84 HB1 ASN 84 92.645 -3.306 6.879 708 HD21 ASN 84 HD21 ASN 84 91.682 -5.920 7.436 709 HD22 ASN 84 HD22 ASN 84 90.924 -6.530 6.044 710 H LEU 85 HN LEU 85 96.176 -3.310 6.890 711 HA LEU 85 HA LEU 85 95.804 -0.681 7.856 712 HB2 LEU 85 HB2 LEU 85 97.061 -2.418 9.074 713 HB3 LEU 85 HB1 LEU 85 98.286 -2.410 7.808 714 HG LEU 85 HG LEU 85 98.708 -0.006 8.252 715 HD11 LEU 85 HD11 LEU 85 97.721 0.631 10.661 716 HD12 LEU 85 HD12 LEU 85 96.435 -0.450 10.139 717 HD13 LEU 85 HD13 LEU 85 96.836 0.970 9.176 718 HD21 LEU 85 HD21 LEU 85 100.302 -0.794 9.631 719 HD22 LEU 85 HD22 LEU 85 99.343 -2.242 9.923 720 HD23 LEU 85 HD23 LEU 85 99.138 -0.827 10.956 721 H ILE 86 HN ILE 86 98.467 -1.944 5.841 722 HA ILE 86 HA ILE 86 99.521 0.496 5.095 723 HB ILE 86 HB ILE 86 99.661 -2.266 4.096 724 HG12 ILE 86 HG12 ILE 86 101.831 -0.163 4.129 725 HG13 ILE 86 HG11 ILE 86 101.263 -0.891 5.636 726 HG21 ILE 86 HG21 ILE 86 100.206 0.089 2.271 727 HG22 ILE 86 HG22 ILE 86 99.159 -1.293 1.943 728 HG23 ILE 86 HG23 ILE 86 100.908 -1.500 2.021 729 HD11 ILE 86 HD11 ILE 86 103.160 -2.157 4.855 730 HD12 ILE 86 HD12 ILE 86 102.437 -2.331 3.253 731 HD13 ILE 86 HD13 ILE 86 101.719 -3.147 4.641 732 H LYS 87 HN LYS 87 96.765 -1.221 3.855 733 HA LYS 87 HA LYS 87 96.394 0.119 1.418 734 HB2 LYS 87 HB2 LYS 87 95.018 -1.727 1.620 735 HB3 LYS 87 HB1 LYS 87 94.584 -1.352 3.289 736 HG2 LYS 87 HG2 LYS 87 93.099 0.391 2.637 737 HG3 LYS 87 HG1 LYS 87 93.730 0.412 0.982 738 HD2 LYS 87 HD2 LYS 87 92.850 -1.894 0.660 739 HD3 LYS 87 HD1 LYS 87 92.176 -1.838 2.290 740 HE2 LYS 87 HE2 LYS 87 90.775 0.069 1.688 741 HE3 LYS 87 HE1 LYS 87 91.495 0.121 0.079 742 HZ1 LYS 87 HZ1 LYS 87 90.407 -2.443 0.867 743 HZ2 LYS 87 HZ2 LYS 87 90.289 -1.618 -0.614 744 HZ3 LYS 87 HZ3 LYS 87 89.259 -1.209 0.674 745 H GLU 88 HN GLU 88 95.294 0.974 4.721 746 HA GLU 88 HA GLU 88 93.947 3.311 3.707 747 HB2 GLU 88 HB2 GLU 88 92.977 3.394 5.768 748 HB3 GLU 88 HB1 GLU 88 93.453 1.703 5.757 749 HG2 GLU 88 HG2 GLU 88 94.230 2.432 7.841 750 HG3 GLU 88 HG1 GLU 88 95.672 2.547 6.848 751 H LEU 89 HN LEU 89 97.096 2.460 4.815 752 HA LEU 89 HA LEU 89 97.854 4.853 6.047 753 HB2 LEU 89 HB2 LEU 89 99.047 2.533 5.727 754 HB3 LEU 89 HB1 LEU 89 99.788 3.342 4.357 755 HG LEU 89 HG LEU 89 101.227 3.612 6.288 756 HD11 LEU 89 HD11 LEU 89 100.719 5.575 4.693 757 HD12 LEU 89 HD12 LEU 89 101.548 5.924 6.206 758 HD13 LEU 89 HD13 LEU 89 99.825 6.251 6.055 759 HD21 LEU 89 HD21 LEU 89 99.360 5.252 7.865 760 HD22 LEU 89 HD22 LEU 89 100.495 4.014 8.401 761 HD23 LEU 89 HD23 LEU 89 98.915 3.548 7.778 762 H ILE 90 HN ILE 90 98.099 3.822 2.660 763 HA ILE 90 HA ILE 90 99.354 6.188 1.763 764 HB ILE 90 HB ILE 90 97.621 4.213 0.250 765 HG12 ILE 90 HG12 ILE 90 100.598 4.560 0.713 766 HG13 ILE 90 HG11 ILE 90 99.598 3.185 1.151 767 HG21 ILE 90 HG21 ILE 90 97.683 6.402 -0.929 768 HG22 ILE 90 HG22 ILE 90 98.680 5.252 -1.788 769 HG23 ILE 90 HG23 ILE 90 99.435 6.465 -0.750 770 HD11 ILE 90 HD11 ILE 90 100.694 3.955 -1.507 771 HD12 ILE 90 HD12 ILE 90 99.085 3.235 -1.484 772 HD13 ILE 90 HD13 ILE 90 100.453 2.354 -0.819 773 H ASP 91 HN ASP 91 95.935 5.252 1.972 774 HA ASP 91 HA ASP 91 94.626 7.165 0.575 775 HB2 ASP 91 HB2 ASP 91 93.981 6.143 3.344 776 HB3 ASP 91 HB1 ASP 91 92.874 7.127 2.397 777 H LYS 92 HN LYS 92 96.584 7.693 3.389 778 HA LYS 92 HA LYS 92 95.551 10.217 4.170 779 HB2 LYS 92 HB2 LYS 92 98.282 8.962 4.486 780 HB3 LYS 92 HB1 LYS 92 97.844 10.517 5.195 781 HG2 LYS 92 HG2 LYS 92 95.955 9.417 6.379 782 HG3 LYS 92 HG1 LYS 92 96.465 7.866 5.711 783 HD2 LYS 92 HD2 LYS 92 98.648 8.093 6.825 784 HD3 LYS 92 HD1 LYS 92 98.158 9.650 7.484 785 HE2 LYS 92 HE2 LYS 92 96.317 8.571 8.705 786 HE3 LYS 92 HE1 LYS 92 96.777 7.009 8.031 787 HZ1 LYS 92 HZ1 LYS 92 98.908 8.473 9.333 788 HZ2 LYS 92 HZ2 LYS 92 98.514 6.823 9.412 789 HZ3 LYS 92 HZ3 LYS 92 97.668 7.947 10.364 790 H LYS 93 HN LYS 93 95.802 12.192 3.329 791 HA LYS 93 HA LYS 93 97.388 12.466 0.879 792 HB2 LYS 93 HB2 LYS 93 95.398 14.366 2.148 793 HB3 LYS 93 HB1 LYS 93 96.134 14.548 0.558 794 HG2 LYS 93 HG2 LYS 93 94.585 12.055 1.248 795 HG3 LYS 93 HG1 LYS 93 93.751 13.508 0.704 796 HD2 LYS 93 HD2 LYS 93 95.126 13.531 -1.349 797 HD3 LYS 93 HD1 LYS 93 95.951 12.069 -0.815 798 HE2 LYS 93 HE2 LYS 93 93.835 10.839 -0.822 799 HE3 LYS 93 HE1 LYS 93 92.973 12.301 -1.308 800 HZ1 LYS 93 HZ1 LYS 93 94.092 12.341 -3.361 801 HZ2 LYS 93 HZ2 LYS 93 93.593 10.731 -3.147 802 HZ3 LYS 93 HZ3 LYS 93 95.212 11.165 -2.875 803 H GLU 94 HN GLU 94 97.691 13.040 4.162 804 HA GLU 94 HA GLU 94 99.438 15.371 3.835 805 HB2 GLU 94 HB2 GLU 94 98.362 13.935 6.265 806 HB3 GLU 94 HB1 GLU 94 99.542 15.243 6.357 807 HG2 GLU 94 HG2 GLU 94 98.005 16.773 5.256 808 HG3 GLU 94 HG1 GLU 94 96.843 15.473 4.997 809 H VAL 95 HN VAL 95 100.060 12.586 2.883 810 HA VAL 95 HA VAL 95 102.002 11.382 4.524 811 HB VAL 95 HB VAL 95 101.741 11.373 1.501 812 HG11 VAL 95 HG11 VAL 95 103.032 9.141 1.908 813 HG12 VAL 95 HG12 VAL 95 103.525 9.894 3.426 814 HG13 VAL 95 HG13 VAL 95 103.945 10.654 1.890 815 HG21 VAL 95 HG21 VAL 95 100.272 9.643 1.756 816 HG22 VAL 95 HG22 VAL 95 99.985 10.400 3.322 817 HG23 VAL 95 HG23 VAL 95 101.086 9.028 3.195 818 H ASN 96 HN ASN 96 104.237 11.529 4.578 819 HA ASN 96 HA ASN 96 105.472 13.926 4.696 820 HB2 ASN 96 HB2 ASN 96 106.358 11.178 4.421 821 HB3 ASN 96 HB1 ASN 96 107.474 12.288 3.631 822 HD21 ASN 96 HD21 ASN 96 105.475 12.525 6.627 823 HD22 ASN 96 HD22 ASN 96 106.768 12.987 7.624 824 HA PRO 97 HA PRO 97 106.207 16.010 0.894 825 HB2 PRO 97 HB2 PRO 97 109.094 15.290 1.107 826 HB3 PRO 97 HB1 PRO 97 108.341 16.871 0.825 827 HG2 PRO 97 HG2 PRO 97 109.346 16.112 3.214 828 HG3 PRO 97 HG1 PRO 97 108.007 17.256 3.035 829 HD2 PRO 97 HD2 PRO 97 107.962 14.516 4.091 830 HD3 PRO 97 HD1 PRO 97 106.735 15.793 4.222 831 H GLN 98 HN GLN 98 107.390 12.753 1.332 832 HA GLN 98 HA GLN 98 108.308 12.006 -1.126 833 HB2 GLN 98 HB2 GLN 98 108.165 9.995 -0.146 834 HB3 GLN 98 HB1 GLN 98 107.257 10.738 1.167 835 HG2 GLN 98 HG2 GLN 98 105.160 10.430 -0.218 836 HG3 GLN 98 HG1 GLN 98 106.136 9.499 -1.360 837 HE21 GLN 98 HE21 GLN 98 103.933 8.342 0.016 838 HE22 GLN 98 HE22 GLN 98 104.522 7.183 1.106 839 H VAL 99 HN VAL 99 105.226 13.295 -0.423 840 HA VAL 99 HA VAL 99 103.629 12.049 -2.363 841 HB VAL 99 HB VAL 99 103.562 14.856 -1.244 842 HG11 VAL 99 HG11 VAL 99 101.029 14.359 -2.084 843 HG12 VAL 99 HG12 VAL 99 101.943 13.525 -3.340 844 HG13 VAL 99 HG13 VAL 99 102.214 15.242 -3.046 845 HG21 VAL 99 HG21 VAL 99 101.822 12.436 -0.687 846 HG22 VAL 99 HG22 VAL 99 101.820 13.970 0.183 847 HG23 VAL 99 HG23 VAL 99 103.212 12.892 0.299 848 H MET 100 HN MET 100 105.677 14.946 -2.614 849 HA MET 100 HA MET 100 105.066 15.517 -5.316 850 HB2 MET 100 HB2 MET 100 106.129 17.136 -3.787 851 HB3 MET 100 HB1 MET 100 107.584 16.141 -3.757 852 HG2 MET 100 HG2 MET 100 107.919 16.464 -6.140 853 HG3 MET 100 HG1 MET 100 106.384 17.324 -6.276 854 HE1 MET 100 HE1 MET 100 109.122 17.822 -3.235 855 HE2 MET 100 HE2 MET 100 110.275 18.613 -4.306 856 HE3 MET 100 HE3 MET 100 109.692 16.997 -4.693 857 H ALA 101 HN ALA 101 107.578 13.558 -3.790 858 HA ALA 101 HA ALA 101 108.848 12.877 -6.292 859 HB1 ALA 101 HB1 ALA 101 109.223 12.198 -3.398 860 HB2 ALA 101 HB2 ALA 101 110.409 12.765 -4.576 861 HB3 ALA 101 HB3 ALA 101 109.890 11.077 -4.594 862 H ALA 102 HN ALA 102 106.212 11.764 -4.496 863 HA ALA 102 HA ALA 102 106.225 9.014 -5.324 864 HB1 ALA 102 HB1 ALA 102 105.019 9.649 -3.317 865 HB2 ALA 102 HB2 ALA 102 103.884 8.985 -4.494 866 HB3 ALA 102 HB3 ALA 102 103.977 10.727 -4.246 867 H VAL 103 HN VAL 103 104.502 11.908 -6.415 868 HA VAL 103 HA VAL 103 102.950 10.749 -8.430 869 HB VAL 103 HB VAL 103 104.174 13.505 -8.203 870 HG11 VAL 103 HG11 VAL 103 102.296 12.346 -10.278 871 HG12 VAL 103 HG12 VAL 103 103.807 13.215 -10.552 872 HG13 VAL 103 HG13 VAL 103 102.391 14.076 -9.954 873 HG21 VAL 103 HG21 VAL 103 102.347 13.989 -6.961 874 HG22 VAL 103 HG22 VAL 103 102.028 12.256 -6.896 875 HG23 VAL 103 HG23 VAL 103 101.272 13.243 -8.143 876 H ALA 104 HN ALA 104 106.281 11.947 -8.510 877 HA ALA 104 HA ALA 104 106.827 11.834 -11.213 878 HB1 ALA 104 HB1 ALA 104 109.020 11.990 -10.609 879 HB2 ALA 104 HB2 ALA 104 108.895 10.687 -9.429 880 HB3 ALA 104 HB3 ALA 104 108.321 12.303 -9.020 881 H GLN 105 HN GLN 105 106.873 9.167 -8.859 882 HA GLN 105 HA GLN 105 106.903 6.886 -9.128 883 HB2 GLN 105 HB2 GLN 105 105.613 7.657 -11.761 884 HB3 GLN 105 HB1 GLN 105 105.708 6.009 -11.145 885 HG2 GLN 105 HG2 GLN 105 104.426 8.303 -9.643 886 HG3 GLN 105 HG1 GLN 105 103.531 7.151 -10.627 887 HE21 GLN 105 HE21 GLN 105 103.768 7.678 -7.536 888 HE22 GLN 105 HE22 GLN 105 103.995 6.117 -6.909 889 H THR 106 HN THR 106 107.169 7.187 -12.568 890 HA THR 106 HA THR 106 110.034 6.459 -12.420 891 HB THR 106 HB THR 106 109.660 5.027 -14.406 892 HG1 THR 106 HG1 THR 106 107.676 4.773 -15.212 893 HG21 THR 106 HG21 THR 106 109.659 3.888 -12.318 894 HG22 THR 106 HG22 THR 106 108.232 3.298 -13.169 895 HG23 THR 106 HG23 THR 106 108.062 4.507 -11.897 896 H GLU 107 HN GLU 107 108.205 8.951 -13.107 897 HA GLU 107 HA GLU 107 109.867 9.770 -15.404 898 HB2 GLU 107 HB2 GLU 107 106.887 10.215 -15.110 899 HB3 GLU 107 HB1 GLU 107 107.902 10.932 -16.363 900 HG2 GLU 107 HG2 GLU 107 108.509 8.719 -17.201 901 HG3 GLU 107 HG1 GLU 107 107.594 7.949 -15.906 902 H GLU 108 HN GLU 108 110.522 11.900 -15.377 903 HA GLU 108 HA GLU 108 110.573 13.228 -12.867 904 HB2 GLU 108 HB2 GLU 108 111.286 14.154 -15.658 905 HB3 GLU 108 HB1 GLU 108 111.574 15.113 -14.206 906 HG2 GLU 108 HG2 GLU 108 113.001 13.365 -13.283 907 HG3 GLU 108 HG1 GLU 108 112.644 12.311 -14.651 908 H ILE 109 HN ILE 109 109.102 14.518 -11.971 909 HA ILE 109 HA ILE 109 106.582 15.009 -13.028 910 HB ILE 109 HB ILE 109 106.395 16.763 -11.252 911 HG12 ILE 109 HG12 ILE 109 109.309 16.127 -10.675 912 HG13 ILE 109 HG11 ILE 109 108.794 17.568 -11.545 913 HG21 ILE 109 HG21 ILE 109 105.965 14.554 -10.468 914 HG22 ILE 109 HG22 ILE 109 107.129 15.207 -9.321 915 HG23 ILE 109 HG23 ILE 109 107.667 14.099 -10.578 916 HD11 ILE 109 HD11 ILE 109 109.016 17.314 -8.781 917 HD12 ILE 109 HD12 ILE 109 107.282 17.209 -9.087 918 HD13 ILE 109 HD13 ILE 109 108.192 18.611 -9.646 919 H LEU 110 HN LEU 110 109.565 16.783 -13.441 920 HA LEU 110 HA LEU 110 108.492 19.194 -14.448 921 HB2 LEU 110 HB2 LEU 110 111.137 17.905 -15.161 922 HB3 LEU 110 HB1 LEU 110 110.721 19.611 -15.320 923 HG LEU 110 HG LEU 110 110.786 18.067 -12.709 924 HD11 LEU 110 HD11 LEU 110 113.032 18.346 -13.091 925 HD12 LEU 110 HD12 LEU 110 112.685 19.945 -12.432 926 HD13 LEU 110 HD13 LEU 110 112.787 19.713 -14.178 927 HD21 LEU 110 HD21 LEU 110 110.827 20.663 -11.994 928 HD22 LEU 110 HD22 LEU 110 109.319 19.773 -12.205 929 HD23 LEU 110 HD23 LEU 110 109.917 20.813 -13.497 930 H LYS 111 HN LYS 111 109.357 16.135 -15.967 931 HA LYS 111 HA LYS 111 108.823 17.073 -18.637 932 HB2 LYS 111 HB2 LYS 111 110.374 15.118 -17.856 933 HB3 LYS 111 HB1 LYS 111 108.889 14.167 -17.877 934 HG2 LYS 111 HG2 LYS 111 108.514 14.730 -20.226 935 HG3 LYS 111 HG1 LYS 111 109.918 15.796 -20.227 936 HD2 LYS 111 HD2 LYS 111 111.378 13.871 -19.719 937 HD3 LYS 111 HD1 LYS 111 109.972 12.806 -19.739 938 HE2 LYS 111 HE2 LYS 111 109.531 13.425 -22.086 939 HE3 LYS 111 HE1 LYS 111 110.939 14.487 -22.069 940 HZ1 LYS 111 HZ1 LYS 111 112.377 12.743 -22.047 941 HZ2 LYS 111 HZ2 LYS 111 111.103 12.030 -22.917 942 HZ3 LYS 111 HZ3 LYS 111 111.296 11.696 -21.263 943 H SER 112 HN SER 112 106.719 17.069 -16.380 944 HA SER 112 HA SER 112 104.684 15.244 -17.015 945 HB2 SER 112 HB2 SER 112 104.453 16.439 -14.989 946 HB3 SER 112 HB1 SER 112 104.663 17.995 -15.788 947 HG SER 112 HG SER 112 102.532 16.232 -16.399 948 H ASN 113 HN ASN 113 105.289 18.526 -18.213 949 HA ASN 113 HA ASN 113 103.027 18.665 -19.912 950 HB2 ASN 113 HB2 ASN 113 105.683 20.071 -20.264 951 HB3 ASN 113 HB1 ASN 113 104.131 20.561 -20.940 952 HD21 ASN 113 HD21 ASN 113 102.869 19.630 -18.243 953 HD22 ASN 113 HD22 ASN 113 103.161 20.944 -17.210 954 H SER 114 HN SER 114 104.509 19.497 -22.325 955 HA SER 114 HA SER 114 104.359 17.091 -23.785 956 HB2 SER 114 HB2 SER 114 104.129 19.314 -24.829 957 HB3 SER 114 HB1 SER 114 105.826 19.648 -24.493 958 HG SER 114 HG SER 114 106.033 17.462 -25.678 959 H GLN 115 HN GLN 115 107.148 18.893 -22.514 960 HA GLN 115 HA GLN 115 108.713 16.420 -22.530 961 HB2 GLN 115 HB2 GLN 115 109.556 18.942 -23.973 962 HB3 GLN 115 HB1 GLN 115 110.652 17.621 -23.588 963 HG2 GLN 115 HG2 GLN 115 109.220 16.062 -24.878 964 HG3 GLN 115 HG1 GLN 115 108.157 17.402 -25.296 965 HE21 GLN 115 HE21 GLN 115 110.876 15.667 -26.355 966 HE22 GLN 115 HE22 GLN 115 111.435 16.783 -27.505 967 H THR 116 HN THR 116 111.180 17.571 -21.911 968 HA THR 116 HA THR 116 110.859 18.106 -19.132 969 HB THR 116 HB THR 116 113.328 18.544 -19.213 970 HG1 THR 116 HG1 THR 116 114.205 18.924 -21.067 971 HG21 THR 116 HG21 THR 116 113.901 16.223 -20.053 972 HG22 THR 116 HG22 THR 116 112.219 16.071 -20.557 973 HG23 THR 116 HG23 THR 116 112.613 16.280 -18.851 974 H ASP 117 HN ASP 117 112.081 20.051 -18.157 975 HA ASP 117 HA ASP 117 110.698 22.412 -18.926 976 HB2 ASP 117 HB2 ASP 117 112.952 21.876 -16.989 977 HB3 ASP 117 HB1 ASP 117 112.286 23.489 -17.236 978 H LEU 118 HN LEU 118 113.280 20.930 -20.350 979 HA LEU 118 HA LEU 118 114.785 23.321 -21.038 980 HB2 LEU 118 HB2 LEU 118 115.018 20.487 -22.083 981 HB3 LEU 118 HB1 LEU 118 116.179 21.788 -22.346 982 HG LEU 118 HG LEU 118 115.392 20.667 -19.637 983 HD11 LEU 118 HD11 LEU 118 117.336 19.823 -21.620 984 HD12 LEU 118 HD12 LEU 118 116.888 19.052 -20.097 985 HD13 LEU 118 HD13 LEU 118 118.133 20.301 -20.121 986 HD21 LEU 118 HD21 LEU 118 116.085 22.793 -19.080 987 HD22 LEU 118 HD22 LEU 118 117.060 22.975 -20.538 988 HD23 LEU 118 HD23 LEU 118 117.668 22.020 -19.187 989 H GLU 119 HN GLU 119 111.866 22.258 -21.951 990 HA GLU 119 HA GLU 119 111.919 22.186 -24.761 991 HB2 GLU 119 HB2 GLU 119 109.981 21.526 -23.298 992 HB3 GLU 119 HB1 GLU 119 109.668 23.241 -23.038 993 HG2 GLU 119 HG2 GLU 119 108.245 22.519 -24.847 994 HG3 GLU 119 HG1 GLU 119 109.522 23.508 -25.550 995 H HIS 120 HN HIS 120 111.485 24.891 -22.499 996 HA HIS 120 HA HIS 120 110.986 26.900 -24.405 997 HB2 HIS 120 HB2 HIS 120 112.212 27.005 -21.645 998 HB3 HIS 120 HB1 HIS 120 111.856 28.447 -22.596 999 HD1 HIS 120 HD1 HIS 120 110.053 25.355 -21.282 1000 HD2 HIS 120 HD2 HIS 120 109.228 29.296 -22.363 1001 HE1 HIS 120 HE1 HIS 120 107.619 25.761 -20.707 1002 HE2 HIS 120 HE2 HIS 120 107.100 28.160 -21.361 1003 H HIS 121 HN HIS 121 114.004 25.647 -23.047 1004 HA HIS 121 HA HIS 121 115.652 27.526 -24.494 1005 HB2 HIS 121 HB2 HIS 121 116.360 26.583 -22.319 1006 HB3 HIS 121 HB1 HIS 121 116.418 24.978 -23.048 1007 HD1 HIS 121 HD1 HIS 121 117.899 28.431 -23.753 1008 HD2 HIS 121 HD2 HIS 121 118.910 24.400 -24.076 1009 HE1 HIS 121 HE1 HIS 121 120.283 28.357 -24.606 1010 HE2 HIS 121 HE2 HIS 121 120.914 25.905 -24.808 1011 H HIS 122 HN HIS 122 117.335 26.789 -26.017 1012 HA HIS 122 HA HIS 122 116.335 24.619 -27.768 1013 HB2 HIS 122 HB2 HIS 122 117.554 27.296 -28.399 1014 HB3 HIS 122 HB1 HIS 122 117.629 25.970 -29.560 1015 HD1 HIS 122 HD1 HIS 122 115.073 27.978 -27.590 1016 HD2 HIS 122 HD2 HIS 122 115.263 25.545 -30.970 1017 HE1 HIS 122 HE1 HIS 122 112.802 28.119 -28.702 1018 HE2 HIS 122 HE2 HIS 122 112.902 26.642 -30.764 1019 H HIS 123 HN HIS 123 117.792 23.154 -28.575 1020 HA HIS 123 HA HIS 123 120.483 23.219 -27.358 1021 HB2 HIS 123 HB2 HIS 123 118.863 20.887 -28.407 1022 HB3 HIS 123 HB1 HIS 123 120.486 20.772 -27.726 1023 HD1 HIS 123 HD1 HIS 123 120.689 21.719 -25.162 1024 HD2 HIS 123 HD2 HIS 123 116.856 20.775 -26.502 1025 HE1 HIS 123 HE1 HIS 123 119.241 21.504 -23.096 1026 HE2 HIS 123 HE2 HIS 123 116.900 20.929 -23.896 1027 H HIS 124 HN HIS 124 122.294 22.952 -28.614 1028 HA HIS 124 HA HIS 124 121.872 23.173 -31.529 1029 HB2 HIS 124 HB2 HIS 124 124.233 23.973 -29.809 1030 HB3 HIS 124 HB1 HIS 124 124.165 24.128 -31.565 1031 HD1 HIS 124 HD1 HIS 124 124.502 26.725 -30.141 1032 HD2 HIS 124 HD2 HIS 124 120.728 25.075 -30.781 1033 HE1 HIS 124 HE1 HIS 124 122.848 28.637 -29.988 1034 HE2 HIS 124 HE2 HIS 124 120.543 27.647 -30.377 1035 H HIS 125 HN HIS 125 122.313 21.441 -32.713 1036 HA HIS 125 HA HIS 125 123.858 19.247 -31.554 1037 HB2 HIS 125 HB2 HIS 125 122.265 19.460 -34.118 1038 HB3 HIS 125 HB1 HIS 125 123.101 18.005 -33.577 1039 HD1 HIS 125 HD1 HIS 125 122.401 17.409 -30.891 1040 HD2 HIS 125 HD2 HIS 125 119.646 19.448 -33.264 1041 HE1 HIS 125 HE1 HIS 125 120.140 17.099 -29.792 1042 HE2 HIS 125 HE2 HIS 125 118.450 18.336 -31.228 Start of MODEL 10 1 H21 MYR 1 1H2 MYR 1 116.812 8.909 -0.693 2 H22 MYR 1 2H2 MYR 1 116.325 9.620 0.687 3 H31 MYR 1 1H3 MYR 1 114.589 10.747 -0.488 4 H32 MYR 1 2H3 MYR 1 115.072 10.065 -1.885 5 H41 MYR 1 1H4 MYR 1 114.047 8.177 -1.449 6 H42 MYR 1 2H4 MYR 1 114.522 8.173 0.107 7 H51 MYR 1 1H5 MYR 1 112.640 10.138 -0.208 8 H52 MYR 1 2H5 MYR 1 112.031 8.753 -0.814 9 H61 MYR 1 1H6 MYR 1 112.820 7.743 1.346 10 H62 MYR 1 2H6 MYR 1 112.843 9.280 1.885 11 H71 MYR 1 1H7 MYR 1 110.578 9.489 1.720 12 H72 MYR 1 2H7 MYR 1 110.445 8.150 0.800 13 H81 MYR 1 1H8 MYR 1 111.441 7.419 3.234 14 H82 MYR 1 2H8 MYR 1 110.106 8.319 3.478 15 H91 MYR 1 1H9 MYR 1 108.961 6.760 1.938 16 H92 MYR 1 2H9 MYR 1 110.255 5.787 2.122 17 H101 MYR 1 1H10 MYR 1 109.574 6.297 4.628 18 H102 MYR 1 2H10 MYR 1 108.126 6.186 3.893 19 H111 MYR 1 1H11 MYR 1 109.497 4.035 3.024 20 H112 MYR 1 2H11 MYR 1 109.815 4.110 4.618 21 H121 MYR 1 1H12 MYR 1 107.816 3.378 5.129 22 H122 MYR 1 2H12 MYR 1 107.101 4.479 4.166 23 H131 MYR 1 1H13 MYR 1 107.625 2.999 2.278 24 H132 MYR 1 2H13 MYR 1 108.024 1.864 3.375 25 H141 MYR 1 1H14 MYR 1 105.889 1.301 3.035 26 H142 MYR 1 2H14 MYR 1 105.693 2.354 4.271 27 H143 MYR 1 3H14 MYR 1 105.431 2.845 2.735 28 H GLY 2 HN GLY 2 118.737 9.551 -0.218 29 HA2 GLY 2 HA2 GLY 2 120.260 11.170 0.573 30 HA3 GLY 2 HA1 GLY 2 119.012 12.399 0.400 31 H GLN 3 HN GLN 3 119.631 13.089 2.554 32 HA GLN 3 HA GLN 3 119.656 11.660 4.888 33 HB2 GLN 3 HB2 GLN 3 118.450 14.398 4.423 34 HB3 GLN 3 HB1 GLN 3 118.833 13.728 6.009 35 HG2 GLN 3 HG2 GLN 3 120.852 14.070 3.775 36 HG3 GLN 3 HG1 GLN 3 120.634 15.218 5.095 37 HE21 GLN 3 HE21 GLN 3 122.686 12.833 4.209 38 HE22 GLN 3 HE22 GLN 3 123.087 12.194 5.729 39 H GLU 4 HN GLU 4 116.972 12.205 2.820 40 HA GLU 4 HA GLU 4 114.741 12.123 4.379 41 HB2 GLU 4 HB2 GLU 4 115.238 10.463 1.899 42 HB3 GLU 4 HB1 GLU 4 113.656 10.821 2.584 43 HG2 GLU 4 HG2 GLU 4 115.636 12.913 1.641 44 HG3 GLU 4 HG1 GLU 4 114.248 12.354 0.710 45 H LEU 5 HN LEU 5 117.169 9.702 4.128 46 HA LEU 5 HA LEU 5 115.964 7.335 4.721 47 HB2 LEU 5 HB2 LEU 5 118.451 7.737 4.541 48 HB3 LEU 5 HB1 LEU 5 118.407 8.360 6.189 49 HG LEU 5 HG LEU 5 117.423 6.184 6.944 50 HD11 LEU 5 HD11 LEU 5 117.474 5.723 4.025 51 HD12 LEU 5 HD12 LEU 5 116.477 4.974 5.270 52 HD13 LEU 5 HD13 LEU 5 118.113 4.388 4.986 53 HD21 LEU 5 HD21 LEU 5 119.530 4.899 6.731 54 HD22 LEU 5 HD22 LEU 5 119.837 6.589 7.133 55 HD23 LEU 5 HD23 LEU 5 120.074 6.017 5.480 56 H SER 6 HN SER 6 116.347 10.094 6.854 57 HA SER 6 HA SER 6 115.742 8.923 9.318 58 HB2 SER 6 HB2 SER 6 115.119 11.676 8.236 59 HB3 SER 6 HB1 SER 6 114.857 11.209 9.914 60 HG SER 6 HG SER 6 117.330 10.934 8.549 61 H GLN 7 HN GLN 7 113.640 9.945 6.679 62 HA GLN 7 HA GLN 7 111.159 9.879 7.930 63 HB2 GLN 7 HB2 GLN 7 111.894 9.003 5.124 64 HB3 GLN 7 HB1 GLN 7 110.250 9.315 5.682 65 HG2 GLN 7 HG2 GLN 7 112.497 11.346 5.764 66 HG3 GLN 7 HG1 GLN 7 111.271 11.271 4.499 67 HE21 GLN 7 HE21 GLN 7 111.980 12.908 7.296 68 HE22 GLN 7 HE22 GLN 7 110.407 13.293 7.803 69 H HIS 8 HN HIS 8 113.010 7.187 6.474 70 HA HIS 8 HA HIS 8 111.116 5.167 6.867 71 HB2 HIS 8 HB2 HIS 8 114.132 5.149 6.768 72 HB3 HIS 8 HB1 HIS 8 113.193 3.668 6.946 73 HD1 HIS 8 HD1 HIS 8 111.796 2.878 4.922 74 HD2 HIS 8 HD2 HIS 8 113.870 6.425 4.216 75 HE1 HIS 8 HE1 HIS 8 111.651 3.310 2.430 76 HE2 HIS 8 HE2 HIS 8 112.912 5.469 1.984 77 H GLU 9 HN GLU 9 113.777 6.258 8.966 78 HA GLU 9 HA GLU 9 113.543 4.481 11.067 79 HB2 GLU 9 HB2 GLU 9 115.225 6.315 10.937 80 HB3 GLU 9 HB1 GLU 9 113.958 7.469 11.351 81 HG2 GLU 9 HG2 GLU 9 113.575 6.314 13.483 82 HG3 GLU 9 HG1 GLU 9 114.802 5.119 13.066 83 H ARG 10 HN ARG 10 111.456 7.182 10.258 84 HA ARG 10 HA ARG 10 109.890 6.980 12.697 85 HB2 ARG 10 HB2 ARG 10 109.169 8.440 10.150 86 HB3 ARG 10 HB1 ARG 10 108.512 8.705 11.762 87 HG2 ARG 10 HG2 ARG 10 110.776 9.339 12.576 88 HG3 ARG 10 HG1 ARG 10 111.392 9.161 10.933 89 HD2 ARG 10 HD2 ARG 10 109.801 10.884 10.157 90 HD3 ARG 10 HD1 ARG 10 109.220 11.081 11.807 91 HE ARG 10 HE ARG 10 111.738 12.056 10.726 92 HH11 ARG 10 HH11 ARG 10 112.919 13.389 12.137 93 HH12 ARG 10 HH12 ARG 10 112.482 13.472 13.811 94 HH21 ARG 10 HH21 ARG 10 109.845 11.241 13.507 95 HH22 ARG 10 HH22 ARG 10 110.742 12.255 14.586 96 H TYR 11 HN TYR 11 109.457 6.147 9.283 97 HA TYR 11 HA TYR 11 106.857 5.153 9.379 98 HB2 TYR 11 HB2 TYR 11 108.038 5.408 7.265 99 HB3 TYR 11 HB1 TYR 11 109.198 4.168 7.736 100 HD1 TYR 11 HD1 TYR 11 108.747 1.872 7.373 101 HD2 TYR 11 HD2 TYR 11 105.581 4.757 7.071 102 HE1 TYR 11 HE1 TYR 11 107.239 0.119 6.478 103 HE2 TYR 11 HE2 TYR 11 104.069 3.001 6.188 104 HH TYR 11 HH TYR 11 105.151 0.062 5.020 105 H VAL 12 HN VAL 12 109.923 3.469 10.025 106 HA VAL 12 HA VAL 12 108.829 0.894 10.472 107 HB VAL 12 HB VAL 12 111.313 2.259 11.525 108 HG11 VAL 12 HG11 VAL 12 111.211 0.639 13.142 109 HG12 VAL 12 HG12 VAL 12 111.818 -0.379 11.836 110 HG13 VAL 12 HG13 VAL 12 110.098 -0.365 12.211 111 HG21 VAL 12 HG21 VAL 12 110.680 1.273 9.032 112 HG22 VAL 12 HG22 VAL 12 111.470 -0.113 9.785 113 HG23 VAL 12 HG23 VAL 12 112.319 1.431 9.662 114 H GLU 13 HN GLU 13 109.708 3.421 12.840 115 HA GLU 13 HA GLU 13 108.630 2.012 15.064 116 HB2 GLU 13 HB2 GLU 13 109.617 4.771 14.546 117 HB3 GLU 13 HB1 GLU 13 108.579 4.544 15.953 118 HG2 GLU 13 HG2 GLU 13 110.892 4.241 16.633 119 HG3 GLU 13 HG1 GLU 13 110.087 2.676 16.697 120 H GLN 14 HN GLN 14 107.286 4.382 12.862 121 HA GLN 14 HA GLN 14 104.864 4.792 14.292 122 HB2 GLN 14 HB2 GLN 14 105.772 6.400 12.624 123 HB3 GLN 14 HB1 GLN 14 105.421 5.228 11.351 124 HG2 GLN 14 HG2 GLN 14 103.584 6.847 11.488 125 HG3 GLN 14 HG1 GLN 14 103.006 5.274 12.050 126 HE21 GLN 14 HE21 GLN 14 101.490 5.867 13.654 127 HE22 GLN 14 HE22 GLN 14 101.861 6.854 14.984 128 H LEU 15 HN LEU 15 105.145 3.425 11.043 129 HA LEU 15 HA LEU 15 102.791 2.175 10.777 130 HB2 LEU 15 HB2 LEU 15 105.048 2.035 9.336 131 HB3 LEU 15 HB1 LEU 15 105.155 0.463 10.124 132 HG LEU 15 HG LEU 15 103.985 0.209 7.992 133 HD11 LEU 15 HD11 LEU 15 103.195 -0.962 10.158 134 HD12 LEU 15 HD12 LEU 15 102.098 -0.970 8.783 135 HD13 LEU 15 HD13 LEU 15 101.837 0.158 10.110 136 HD21 LEU 15 HD21 LEU 15 102.442 1.690 7.213 137 HD22 LEU 15 HD22 LEU 15 103.062 2.768 8.461 138 HD23 LEU 15 HD23 LEU 15 101.633 1.800 8.770 139 H LYS 16 HN LYS 16 105.565 0.746 12.489 140 HA LYS 16 HA LYS 16 104.256 -1.618 13.293 141 HB2 LYS 16 HB2 LYS 16 106.613 -0.104 14.396 142 HB3 LYS 16 HB1 LYS 16 106.030 -1.576 15.152 143 HG2 LYS 16 HG2 LYS 16 106.226 -2.713 12.913 144 HG3 LYS 16 HG1 LYS 16 107.011 -1.251 12.322 145 HD2 LYS 16 HD2 LYS 16 108.832 -1.483 13.811 146 HD3 LYS 16 HD1 LYS 16 108.022 -2.737 14.748 147 HE2 LYS 16 HE2 LYS 16 108.001 -4.006 12.420 148 HE3 LYS 16 HE1 LYS 16 109.345 -2.920 12.070 149 HZ1 LYS 16 HZ1 LYS 16 110.366 -4.727 13.034 150 HZ2 LYS 16 HZ2 LYS 16 109.116 -4.983 14.156 151 HZ3 LYS 16 HZ3 LYS 16 110.190 -3.681 14.357 152 H GLN 17 HN GLN 17 104.499 1.556 14.809 153 HA GLN 17 HA GLN 17 103.220 0.869 17.259 154 HB2 GLN 17 HB2 GLN 17 103.985 3.341 15.849 155 HB3 GLN 17 HB1 GLN 17 102.611 3.509 16.936 156 HG2 GLN 17 HG2 GLN 17 105.186 2.156 17.752 157 HG3 GLN 17 HG1 GLN 17 104.909 3.883 17.978 158 HE21 GLN 17 HE21 GLN 17 104.963 1.292 19.844 159 HE22 GLN 17 HE22 GLN 17 103.623 1.564 20.849 160 H ALA 18 HN ALA 18 101.943 2.587 14.397 161 HA ALA 18 HA ALA 18 99.262 2.623 15.108 162 HB1 ALA 18 HB1 ALA 18 100.235 3.846 13.175 163 HB2 ALA 18 HB2 ALA 18 98.776 2.949 12.754 164 HB3 ALA 18 HB3 ALA 18 100.359 2.315 12.314 165 H LEU 19 HN LEU 19 101.216 0.035 14.401 166 HA LEU 19 HA LEU 19 99.070 -1.746 13.477 167 HB2 LEU 19 HB2 LEU 19 101.970 -1.873 13.510 168 HB3 LEU 19 HB1 LEU 19 101.254 -3.374 14.092 169 HG LEU 19 HG LEU 19 100.458 -1.975 11.531 170 HD11 LEU 19 HD11 LEU 19 102.199 -4.407 11.975 171 HD12 LEU 19 HD12 LEU 19 102.776 -2.827 11.454 172 HD13 LEU 19 HD13 LEU 19 101.708 -3.765 10.408 173 HD21 LEU 19 HD21 LEU 19 98.756 -3.438 11.501 174 HD22 LEU 19 HD22 LEU 19 99.234 -4.015 13.096 175 HD23 LEU 19 HD23 LEU 19 99.884 -4.784 11.648 176 H LYS 20 HN LYS 20 101.234 -1.524 16.295 177 HA LYS 20 HA LYS 20 100.380 -3.583 17.839 178 HB2 LYS 20 HB2 LYS 20 102.103 -1.903 18.498 179 HB3 LYS 20 HB1 LYS 20 100.801 -0.775 18.875 180 HG2 LYS 20 HG2 LYS 20 99.897 -2.357 20.534 181 HG3 LYS 20 HG1 LYS 20 101.185 -3.498 20.150 182 HD2 LYS 20 HD2 LYS 20 102.870 -1.837 20.860 183 HD3 LYS 20 HD1 LYS 20 101.577 -0.706 21.261 184 HE2 LYS 20 HE2 LYS 20 100.678 -2.320 22.904 185 HE3 LYS 20 HE1 LYS 20 101.985 -3.437 22.515 186 HZ1 LYS 20 HZ1 LYS 20 102.017 -1.102 24.175 187 HZ2 LYS 20 HZ2 LYS 20 103.271 -1.103 23.029 188 HZ3 LYS 20 HZ3 LYS 20 103.106 -2.400 24.113 189 H THR 21 HN THR 21 98.663 -0.610 17.142 190 HA THR 21 HA THR 21 96.619 -0.832 19.085 191 HB THR 21 HB THR 21 97.145 1.139 17.527 192 HG1 THR 21 HG1 THR 21 95.314 1.816 18.259 193 HG21 THR 21 HG21 THR 21 96.300 1.161 15.364 194 HG22 THR 21 HG22 THR 21 95.105 -0.091 15.709 195 HG23 THR 21 HG23 THR 21 96.800 -0.519 15.518 196 H ARG 22 HN ARG 22 97.003 -2.299 15.908 197 HA ARG 22 HA ARG 22 94.360 -3.351 15.764 198 HB2 ARG 22 HB2 ARG 22 96.906 -3.869 14.257 199 HB3 ARG 22 HB1 ARG 22 95.486 -4.876 13.994 200 HG2 ARG 22 HG2 ARG 22 94.185 -2.705 13.589 201 HG3 ARG 22 HG1 ARG 22 95.747 -1.885 13.540 202 HD2 ARG 22 HD2 ARG 22 95.106 -2.445 11.290 203 HD3 ARG 22 HD1 ARG 22 96.462 -3.463 11.758 204 HE ARG 22 HE ARG 22 95.043 -5.320 11.713 205 HH11 ARG 22 HH11 ARG 22 93.086 -6.315 11.127 206 HH12 ARG 22 HH12 ARG 22 91.687 -5.344 10.812 207 HH21 ARG 22 HH21 ARG 22 93.307 -2.341 11.430 208 HH22 ARG 22 HH22 ARG 22 91.812 -3.093 10.984 209 H GLY 23 HN GLY 23 97.010 -4.152 17.638 210 HA2 GLY 23 HA2 GLY 23 96.729 -5.825 19.389 211 HA3 GLY 23 HA1 GLY 23 95.832 -6.801 18.230 212 H VAL 24 HN VAL 24 98.788 -5.136 17.351 213 HA VAL 24 HA VAL 24 100.073 -7.760 16.997 214 HB VAL 24 HB VAL 24 100.923 -5.147 15.759 215 HG11 VAL 24 HG11 VAL 24 102.654 -6.773 15.594 216 HG12 VAL 24 HG12 VAL 24 101.835 -6.817 14.037 217 HG13 VAL 24 HG13 VAL 24 101.515 -8.069 15.235 218 HG21 VAL 24 HG21 VAL 24 98.870 -7.181 14.875 219 HG22 VAL 24 HG22 VAL 24 99.730 -6.189 13.698 220 HG23 VAL 24 HG23 VAL 24 98.716 -5.424 14.926 221 H LYS 25 HN LYS 25 102.531 -7.680 17.217 222 HA LYS 25 HA LYS 25 103.240 -6.047 19.565 223 HB2 LYS 25 HB2 LYS 25 103.112 -8.474 20.044 224 HB3 LYS 25 HB1 LYS 25 104.320 -8.765 18.791 225 HG2 LYS 25 HG2 LYS 25 105.958 -7.419 19.997 226 HG3 LYS 25 HG1 LYS 25 104.755 -6.997 21.216 227 HD2 LYS 25 HD2 LYS 25 104.537 -9.384 21.821 228 HD3 LYS 25 HD1 LYS 25 105.759 -9.794 20.617 229 HE2 LYS 25 HE2 LYS 25 107.413 -8.417 21.797 230 HE3 LYS 25 HE1 LYS 25 106.196 -7.952 22.985 231 HZ1 LYS 25 HZ1 LYS 25 106.924 -10.774 22.459 232 HZ2 LYS 25 HZ2 LYS 25 106.039 -10.149 23.768 233 HZ3 LYS 25 HZ3 LYS 25 107.703 -9.833 23.635 234 H VAL 26 HN VAL 26 105.104 -4.862 19.505 235 HA VAL 26 HA VAL 26 106.612 -4.923 16.964 236 HB VAL 26 HB VAL 26 107.144 -2.588 17.366 237 HG11 VAL 26 HG11 VAL 26 104.936 -3.196 16.339 238 HG12 VAL 26 HG12 VAL 26 104.915 -1.645 17.183 239 HG13 VAL 26 HG13 VAL 26 104.205 -3.069 17.938 240 HG21 VAL 26 HG21 VAL 26 107.335 -2.069 19.591 241 HG22 VAL 26 HG22 VAL 26 106.164 -3.296 20.073 242 HG23 VAL 26 HG23 VAL 26 105.608 -1.733 19.480 243 H LYS 27 HN LYS 27 108.114 -6.490 17.531 244 HA LYS 27 HA LYS 27 109.895 -5.844 19.800 245 HB2 LYS 27 HB2 LYS 27 110.643 -8.242 19.540 246 HB3 LYS 27 HB1 LYS 27 108.986 -8.018 20.101 247 HG2 LYS 27 HG2 LYS 27 108.090 -8.478 17.927 248 HG3 LYS 27 HG1 LYS 27 109.689 -8.406 17.185 249 HD2 LYS 27 HD2 LYS 27 110.390 -10.388 18.448 250 HD3 LYS 27 HD1 LYS 27 108.810 -10.459 19.236 251 HE2 LYS 27 HE2 LYS 27 107.720 -10.795 17.057 252 HE3 LYS 27 HE1 LYS 27 109.282 -10.681 16.246 253 HZ1 LYS 27 HZ1 LYS 27 108.122 -12.956 17.231 254 HZ2 LYS 27 HZ2 LYS 27 109.325 -12.581 18.370 255 HZ3 LYS 27 HZ3 LYS 27 109.734 -12.784 16.734 256 H TYR 28 HN TYR 28 112.212 -6.442 19.457 257 HA TYR 28 HA TYR 28 113.258 -5.104 17.189 258 HB2 TYR 28 HB2 TYR 28 114.607 -7.004 19.119 259 HB3 TYR 28 HB1 TYR 28 115.443 -5.953 17.974 260 HD1 TYR 28 HD1 TYR 28 113.239 -6.007 20.958 261 HD2 TYR 28 HD2 TYR 28 115.692 -3.601 18.379 262 HE1 TYR 28 HE1 TYR 28 113.099 -4.132 22.575 263 HE2 TYR 28 HE2 TYR 28 115.552 -1.726 19.996 264 HH TYR 28 HH TYR 28 113.917 -2.116 23.124 265 H ALA 29 HN ALA 29 112.705 -8.501 17.938 266 HA ALA 29 HA ALA 29 114.116 -9.672 15.823 267 HB1 ALA 29 HB1 ALA 29 112.670 -10.649 17.900 268 HB2 ALA 29 HB2 ALA 29 113.223 -11.621 16.535 269 HB3 ALA 29 HB3 ALA 29 111.583 -10.981 16.551 270 H ASP 30 HN ASP 30 111.141 -7.942 15.886 271 HA ASP 30 HA ASP 30 110.048 -8.986 13.438 272 HB2 ASP 30 HB2 ASP 30 109.427 -6.644 15.199 273 HB3 ASP 30 HB1 ASP 30 108.718 -6.728 13.604 274 H LEU 31 HN LEU 31 112.015 -6.175 14.291 275 HA LEU 31 HA LEU 31 111.939 -4.920 11.742 276 HB2 LEU 31 HB2 LEU 31 113.895 -4.896 14.053 277 HB3 LEU 31 HB1 LEU 31 114.241 -4.015 12.568 278 HG LEU 31 HG LEU 31 111.668 -3.215 13.070 279 HD11 LEU 31 HD11 LEU 31 111.846 -4.513 15.265 280 HD12 LEU 31 HD12 LEU 31 111.389 -2.816 15.417 281 HD13 LEU 31 HD13 LEU 31 113.040 -3.314 15.758 282 HD21 LEU 31 HD21 LEU 31 114.196 -1.962 14.147 283 HD22 LEU 31 HD22 LEU 31 112.661 -1.136 13.879 284 HD23 LEU 31 HD23 LEU 31 113.569 -1.775 12.509 285 H LEU 32 HN LEU 32 114.045 -7.431 13.089 286 HA LEU 32 HA LEU 32 115.978 -7.482 11.071 287 HB2 LEU 32 HB2 LEU 32 114.814 -9.913 12.442 288 HB3 LEU 32 HB1 LEU 32 116.444 -9.739 11.778 289 HG LEU 32 HG LEU 32 115.325 -8.092 14.085 290 HD11 LEU 32 HD11 LEU 32 115.879 -10.604 14.450 291 HD12 LEU 32 HD12 LEU 32 116.604 -9.429 15.547 292 HD13 LEU 32 HD13 LEU 32 117.561 -10.117 14.234 293 HD21 LEU 32 HD21 LEU 32 117.917 -7.638 14.240 294 HD22 LEU 32 HD22 LEU 32 116.944 -6.725 13.087 295 HD23 LEU 32 HD23 LEU 32 117.912 -8.093 12.535 296 H LYS 33 HN LYS 33 112.893 -9.242 11.224 297 HA LYS 33 HA LYS 33 113.271 -10.404 8.624 298 HB2 LYS 33 HB2 LYS 33 112.007 -11.532 10.448 299 HB3 LYS 33 HB1 LYS 33 110.762 -10.291 10.307 300 HG2 LYS 33 HG2 LYS 33 110.353 -10.924 7.971 301 HG3 LYS 33 HG1 LYS 33 111.644 -12.124 8.058 302 HD2 LYS 33 HD2 LYS 33 110.417 -13.334 9.820 303 HD3 LYS 33 HD1 LYS 33 109.125 -12.134 9.751 304 HE2 LYS 33 HE2 LYS 33 108.684 -12.716 7.407 305 HE3 LYS 33 HE1 LYS 33 110.003 -13.887 7.434 306 HZ1 LYS 33 HZ1 LYS 33 107.505 -14.556 7.925 307 HZ2 LYS 33 HZ2 LYS 33 107.962 -14.129 9.505 308 HZ3 LYS 33 HZ3 LYS 33 108.812 -15.340 8.670 309 H PHE 34 HN PHE 34 110.941 -8.053 9.936 310 HA PHE 34 HA PHE 34 109.667 -7.501 7.502 311 HB2 PHE 34 HB2 PHE 34 109.736 -6.334 10.172 312 HB3 PHE 34 HB1 PHE 34 109.492 -5.133 8.917 313 HD1 PHE 34 HD1 PHE 34 107.816 -5.973 6.979 314 HD2 PHE 34 HD2 PHE 34 107.829 -7.352 11.047 315 HE1 PHE 34 HE1 PHE 34 105.452 -6.680 6.745 316 HE2 PHE 34 HE2 PHE 34 105.465 -8.060 10.815 317 HZ PHE 34 HZ PHE 34 104.277 -7.729 8.663 318 H PHE 35 HN PHE 35 112.530 -6.073 8.944 319 HA PHE 35 HA PHE 35 112.727 -3.913 7.041 320 HB2 PHE 35 HB2 PHE 35 113.737 -4.044 9.400 321 HB3 PHE 35 HB1 PHE 35 115.025 -5.004 8.666 322 HD1 PHE 35 HD1 PHE 35 116.136 -3.966 6.533 323 HD2 PHE 35 HD2 PHE 35 113.798 -1.732 9.368 324 HE1 PHE 35 HE1 PHE 35 117.172 -1.863 5.728 325 HE2 PHE 35 HE2 PHE 35 114.838 0.371 8.558 326 HZ PHE 35 HZ PHE 35 116.524 0.306 6.741 327 H ASP 36 HN ASP 36 114.504 -6.973 7.522 328 HA ASP 36 HA ASP 36 116.014 -6.698 5.098 329 HB2 ASP 36 HB2 ASP 36 115.533 -9.111 6.852 330 HB3 ASP 36 HB1 ASP 36 116.674 -9.056 5.513 331 H PHE 37 HN PHE 37 112.857 -7.841 5.852 332 HA PHE 37 HA PHE 37 112.485 -9.730 3.812 333 HB2 PHE 37 HB2 PHE 37 110.796 -9.760 5.416 334 HB3 PHE 37 HB1 PHE 37 110.659 -8.001 5.444 335 HD1 PHE 37 HD1 PHE 37 108.474 -7.451 4.795 336 HD2 PHE 37 HD2 PHE 37 110.646 -10.441 2.605 337 HE1 PHE 37 HE1 PHE 37 106.635 -7.574 3.137 338 HE2 PHE 37 HE2 PHE 37 108.811 -10.562 0.947 339 HZ PHE 37 HZ PHE 37 106.803 -9.131 1.213 340 H VAL 38 HN VAL 38 111.325 -6.354 3.923 341 HA VAL 38 HA VAL 38 110.686 -6.309 1.133 342 HB VAL 38 HB VAL 38 110.768 -3.725 1.609 343 HG11 VAL 38 HG11 VAL 38 108.534 -3.862 2.592 344 HG12 VAL 38 HG12 VAL 38 108.837 -5.521 3.116 345 HG13 VAL 38 HG13 VAL 38 108.715 -5.149 1.396 346 HG21 VAL 38 HG21 VAL 38 111.093 -3.055 3.772 347 HG22 VAL 38 HG22 VAL 38 112.027 -4.546 3.875 348 HG23 VAL 38 HG23 VAL 38 110.352 -4.510 4.428 349 H LYS 39 HN LYS 39 113.544 -5.500 2.977 350 HA LYS 39 HA LYS 39 114.932 -3.975 1.053 351 HB2 LYS 39 HB2 LYS 39 115.580 -4.433 3.481 352 HB3 LYS 39 HB1 LYS 39 116.240 -5.965 2.910 353 HG2 LYS 39 HG2 LYS 39 117.752 -4.799 1.402 354 HG3 LYS 39 HG1 LYS 39 117.023 -3.250 1.815 355 HD2 LYS 39 HD2 LYS 39 117.727 -3.623 4.188 356 HD3 LYS 39 HD1 LYS 39 118.563 -5.086 3.663 357 HE2 LYS 39 HE2 LYS 39 119.109 -2.297 2.607 358 HE3 LYS 39 HE1 LYS 39 120.100 -3.159 3.776 359 HZ1 LYS 39 HZ1 LYS 39 120.914 -3.332 1.471 360 HZ2 LYS 39 HZ2 LYS 39 119.492 -4.167 1.060 361 HZ3 LYS 39 HZ3 LYS 39 120.579 -4.837 2.179 362 H ASP 40 HN ASP 40 114.574 -7.470 1.421 363 HA ASP 40 HA ASP 40 116.501 -8.517 -0.179 364 HB2 ASP 40 HB2 ASP 40 113.564 -9.225 -0.094 365 HB3 ASP 40 HB1 ASP 40 114.775 -10.204 -0.921 366 H THR 41 HN THR 41 113.322 -7.505 -1.467 367 HA THR 41 HA THR 41 114.591 -7.165 -4.106 368 HB THR 41 HB THR 41 112.154 -7.119 -4.881 369 HG1 THR 41 HG1 THR 41 110.700 -7.306 -3.401 370 HG21 THR 41 HG21 THR 41 111.970 -9.655 -4.544 371 HG22 THR 41 HG22 THR 41 113.469 -9.530 -3.624 372 HG23 THR 41 HG23 THR 41 113.439 -9.071 -5.326 373 H CYS 42 HN CYS 42 113.606 -5.399 -1.453 374 HA CYS 42 HA CYS 42 112.892 -3.211 -1.132 375 HB2 CYS 42 HB2 CYS 42 114.441 -1.635 -2.029 376 HB3 CYS 42 HB1 CYS 42 115.339 -3.113 -1.693 377 HG CYS 42 HG CYS 42 115.668 -3.513 -4.150 378 HA PRO 43 HA PRO 43 110.336 -3.030 -5.044 379 HB2 PRO 43 HB2 PRO 43 107.971 -3.946 -4.077 380 HB3 PRO 43 HB1 PRO 43 109.228 -5.030 -4.706 381 HG2 PRO 43 HG2 PRO 43 108.495 -4.411 -1.901 382 HG3 PRO 43 HG1 PRO 43 109.042 -5.930 -2.620 383 HD2 PRO 43 HD2 PRO 43 110.653 -4.205 -1.153 384 HD3 PRO 43 HD1 PRO 43 111.229 -5.434 -2.298 385 H TRP 44 HN TRP 44 110.040 -1.964 -1.783 386 HA TRP 44 HA TRP 44 107.817 -0.205 -2.110 387 HB2 TRP 44 HB2 TRP 44 109.611 -0.980 -0.002 388 HB3 TRP 44 HB1 TRP 44 109.464 0.777 -0.038 389 HD1 TRP 44 HD1 TRP 44 107.119 1.838 0.484 390 HE1 TRP 44 HE1 TRP 44 104.956 0.884 1.506 391 HE3 TRP 44 HE3 TRP 44 108.113 -3.159 0.149 392 HZ2 TRP 44 HZ2 TRP 44 103.797 -1.662 2.104 393 HZ3 TRP 44 HZ3 TRP 44 106.461 -4.823 0.952 394 HH2 TRP 44 HH2 TRP 44 104.310 -4.082 1.932 395 H PHE 45 HN PHE 45 110.221 -0.044 -3.998 396 HA PHE 45 HA PHE 45 111.356 1.569 -5.132 397 HB2 PHE 45 HB2 PHE 45 108.866 2.834 -4.256 398 HB3 PHE 45 HB1 PHE 45 110.157 3.938 -4.723 399 HD1 PHE 45 HD1 PHE 45 107.490 2.004 -5.951 400 HD2 PHE 45 HD2 PHE 45 111.500 3.197 -6.922 401 HE1 PHE 45 HE1 PHE 45 107.057 1.513 -8.341 402 HE2 PHE 45 HE2 PHE 45 111.068 2.705 -9.313 403 HZ PHE 45 HZ PHE 45 108.846 1.863 -10.024 404 HA PRO 46 HA PRO 46 113.582 2.895 -1.299 405 HB2 PRO 46 HB2 PRO 46 116.081 2.266 -2.214 406 HB3 PRO 46 HB1 PRO 46 115.000 1.099 -1.430 407 HG2 PRO 46 HG2 PRO 46 115.589 1.495 -4.310 408 HG3 PRO 46 HG1 PRO 46 115.319 0.003 -3.400 409 HD2 PRO 46 HD2 PRO 46 113.440 1.163 -4.992 410 HD3 PRO 46 HD1 PRO 46 113.037 0.143 -3.600 411 H GLN 47 HN GLN 47 113.531 3.910 -4.535 412 HA GLN 47 HA GLN 47 115.579 5.957 -4.301 413 HB2 GLN 47 HB2 GLN 47 113.442 5.449 -6.385 414 HB3 GLN 47 HB1 GLN 47 114.707 6.668 -6.526 415 HG2 GLN 47 HG2 GLN 47 116.436 4.943 -6.401 416 HG3 GLN 47 HG1 GLN 47 115.210 3.700 -6.164 417 HE21 GLN 47 HE21 GLN 47 116.576 3.016 -8.284 418 HE22 GLN 47 HE22 GLN 47 115.872 3.502 -9.750 419 H GLU 48 HN GLU 48 112.038 6.018 -4.768 420 HA GLU 48 HA GLU 48 111.960 8.786 -3.770 421 HB2 GLU 48 HB2 GLU 48 109.508 8.571 -4.391 422 HB3 GLU 48 HB1 GLU 48 110.646 8.476 -5.726 423 HG2 GLU 48 HG2 GLU 48 110.527 6.032 -5.693 424 HG3 GLU 48 HG1 GLU 48 109.451 6.094 -4.299 425 H GLY 49 HN GLY 49 111.252 5.540 -2.774 426 HA2 GLY 49 HA2 GLY 49 110.564 4.674 -0.750 427 HA3 GLY 49 HA1 GLY 49 110.872 6.258 -0.052 428 H THR 50 HN THR 50 108.520 4.554 -2.117 429 HA THR 50 HA THR 50 106.358 6.022 -0.745 430 HB THR 50 HB THR 50 106.777 6.958 -3.020 431 HG1 THR 50 HG1 THR 50 104.366 5.514 -2.656 432 HG21 THR 50 HG21 THR 50 107.553 4.769 -3.996 433 HG22 THR 50 HG22 THR 50 106.339 5.597 -4.975 434 HG23 THR 50 HG23 THR 50 105.870 4.220 -3.973 435 H ILE 51 HN ILE 51 104.184 4.959 -1.169 436 HA ILE 51 HA ILE 51 104.545 2.056 -0.836 437 HB ILE 51 HB ILE 51 101.958 3.440 -0.270 438 HG12 ILE 51 HG12 ILE 51 104.502 3.672 1.342 439 HG13 ILE 51 HG11 ILE 51 103.415 4.961 0.824 440 HG21 ILE 51 HG21 ILE 51 102.694 0.880 -0.037 441 HG22 ILE 51 HG22 ILE 51 101.602 1.632 1.124 442 HG23 ILE 51 HG23 ILE 51 103.308 1.459 1.510 443 HD11 ILE 51 HD11 ILE 51 101.629 3.803 2.245 444 HD12 ILE 51 HD12 ILE 51 102.914 4.643 3.110 445 HD13 ILE 51 HD13 ILE 51 102.955 2.887 2.958 446 H ASP 52 HN ASP 52 103.381 0.580 -2.099 447 HA ASP 52 HA ASP 52 101.627 1.674 -4.187 448 HB2 ASP 52 HB2 ASP 52 103.942 1.360 -5.110 449 HB3 ASP 52 HB1 ASP 52 103.817 -0.345 -4.694 450 H ILE 53 HN ILE 53 99.773 0.639 -4.086 451 HA ILE 53 HA ILE 53 99.382 -1.750 -2.559 452 HB ILE 53 HB ILE 53 97.459 -0.512 -4.542 453 HG12 ILE 53 HG12 ILE 53 98.215 1.231 -3.012 454 HG13 ILE 53 HG11 ILE 53 96.596 0.742 -2.517 455 HG21 ILE 53 HG21 ILE 53 97.007 -2.124 -2.002 456 HG22 ILE 53 HG22 ILE 53 96.930 -2.793 -3.631 457 HG23 ILE 53 HG23 ILE 53 95.764 -1.572 -3.125 458 HD11 ILE 53 HD11 ILE 53 97.777 0.759 -0.475 459 HD12 ILE 53 HD12 ILE 53 99.249 0.134 -1.214 460 HD13 ILE 53 HD13 ILE 53 97.881 -0.939 -0.938 461 H LYS 54 HN LYS 54 99.543 -1.038 -6.005 462 HA LYS 54 HA LYS 54 98.818 -3.639 -6.893 463 HB2 LYS 54 HB2 LYS 54 100.424 -1.454 -8.256 464 HB3 LYS 54 HB1 LYS 54 99.840 -2.913 -9.052 465 HG2 LYS 54 HG2 LYS 54 97.518 -2.316 -8.484 466 HG3 LYS 54 HG1 LYS 54 98.090 -0.860 -7.669 467 HD2 LYS 54 HD2 LYS 54 99.028 -0.018 -9.773 468 HD3 LYS 54 HD1 LYS 54 98.516 -1.488 -10.605 469 HE2 LYS 54 HE2 LYS 54 96.169 -0.976 -10.112 470 HE3 LYS 54 HE1 LYS 54 96.653 0.469 -9.224 471 HZ1 LYS 54 HZ1 LYS 54 97.823 0.432 -11.806 472 HZ2 LYS 54 HZ2 LYS 54 96.807 1.599 -11.105 473 HZ3 LYS 54 HZ3 LYS 54 96.139 0.269 -11.925 474 H ARG 55 HN ARG 55 102.009 -2.060 -6.598 475 HA ARG 55 HA ARG 55 103.526 -4.305 -7.351 476 HB2 ARG 55 HB2 ARG 55 104.169 -1.746 -6.925 477 HB3 ARG 55 HB1 ARG 55 104.635 -2.399 -5.352 478 HG2 ARG 55 HG2 ARG 55 106.098 -4.026 -6.394 479 HG3 ARG 55 HG1 ARG 55 105.585 -3.517 -8.003 480 HD2 ARG 55 HD2 ARG 55 106.940 -1.710 -5.991 481 HD3 ARG 55 HD1 ARG 55 107.769 -2.520 -7.316 482 HE ARG 55 HE ARG 55 106.045 -0.201 -7.514 483 HH11 ARG 55 HH11 ARG 55 105.861 0.694 -9.594 484 HH12 ARG 55 HH12 ARG 55 106.397 -0.210 -10.971 485 HH21 ARG 55 HH21 ARG 55 107.416 -2.951 -9.107 486 HH22 ARG 55 HH22 ARG 55 107.278 -2.273 -10.695 487 H TRP 56 HN TRP 56 102.423 -3.169 -4.186 488 HA TRP 56 HA TRP 56 103.788 -4.906 -2.542 489 HB2 TRP 56 HB2 TRP 56 102.526 -3.258 -1.458 490 HB3 TRP 56 HB1 TRP 56 101.056 -3.686 -2.332 491 HD1 TRP 56 HD1 TRP 56 99.407 -4.864 -0.824 492 HE1 TRP 56 HE1 TRP 56 99.542 -6.560 1.114 493 HE3 TRP 56 HE3 TRP 56 104.478 -5.403 -0.461 494 HZ2 TRP 56 HZ2 TRP 56 101.534 -7.960 2.614 495 HZ3 TRP 56 HZ3 TRP 56 105.462 -6.924 1.217 496 HH2 TRP 56 HH2 TRP 56 104.003 -8.203 2.754 497 H ARG 57 HN ARG 57 100.873 -5.464 -4.436 498 HA ARG 57 HA ARG 57 100.216 -8.004 -3.375 499 HB2 ARG 57 HB2 ARG 57 98.644 -6.649 -4.728 500 HB3 ARG 57 HB1 ARG 57 99.661 -6.909 -6.147 501 HG2 ARG 57 HG2 ARG 57 99.312 -9.356 -5.929 502 HG3 ARG 57 HG1 ARG 57 98.281 -9.070 -4.526 503 HD2 ARG 57 HD2 ARG 57 96.804 -7.662 -5.976 504 HD3 ARG 57 HD1 ARG 57 97.791 -8.126 -7.360 505 HE ARG 57 HE ARG 57 96.795 -10.389 -5.876 506 HH11 ARG 57 HH11 ARG 57 95.246 -11.664 -6.942 507 HH12 ARG 57 HH12 ARG 57 94.444 -11.047 -8.347 508 HH21 ARG 57 HH21 ARG 57 96.121 -8.012 -8.298 509 HH22 ARG 57 HH22 ARG 57 94.940 -8.979 -9.116 510 H ARG 58 HN ARG 58 102.244 -6.992 -6.113 511 HA ARG 58 HA ARG 58 102.770 -9.539 -7.180 512 HB2 ARG 58 HB2 ARG 58 104.429 -7.017 -7.102 513 HB3 ARG 58 HB1 ARG 58 104.918 -8.453 -7.995 514 HG2 ARG 58 HG2 ARG 58 102.839 -8.370 -9.299 515 HG3 ARG 58 HG1 ARG 58 102.301 -6.965 -8.379 516 HD2 ARG 58 HD2 ARG 58 104.272 -5.700 -9.181 517 HD3 ARG 58 HD1 ARG 58 104.777 -7.098 -10.126 518 HE ARG 58 HE ARG 58 102.636 -5.256 -10.773 519 HH11 ARG 58 HH11 ARG 58 101.622 -5.619 -12.772 520 HH12 ARG 58 HH12 ARG 58 101.873 -7.116 -13.606 521 HH21 ARG 58 HH21 ARG 58 103.979 -8.418 -11.178 522 HH22 ARG 58 HH22 ARG 58 103.209 -8.701 -12.703 523 H VAL 59 HN VAL 59 104.715 -7.663 -4.860 524 HA VAL 59 HA VAL 59 106.620 -9.720 -4.352 525 HB VAL 59 HB VAL 59 107.180 -7.452 -3.771 526 HG11 VAL 59 HG11 VAL 59 105.930 -6.150 -2.158 527 HG12 VAL 59 HG12 VAL 59 104.887 -7.523 -1.787 528 HG13 VAL 59 HG13 VAL 59 104.801 -6.750 -3.366 529 HG21 VAL 59 HG21 VAL 59 106.693 -8.658 -1.070 530 HG22 VAL 59 HG22 VAL 59 108.131 -7.842 -1.680 531 HG23 VAL 59 HG23 VAL 59 107.763 -9.487 -2.200 532 H GLY 60 HN GLY 60 103.546 -8.857 -2.830 533 HA2 GLY 60 HA2 GLY 60 103.711 -10.566 -0.590 534 HA3 GLY 60 HA1 GLY 60 102.220 -9.979 -1.317 535 H ASP 61 HN ASP 61 102.267 -11.091 -3.806 536 HA ASP 61 HA ASP 61 101.489 -13.784 -3.281 537 HB2 ASP 61 HB2 ASP 61 100.407 -12.458 -5.033 538 HB3 ASP 61 HB1 ASP 61 101.933 -12.349 -5.910 539 H CYS 62 HN CYS 62 104.339 -12.282 -4.688 540 HA CYS 62 HA CYS 62 105.561 -14.624 -5.695 541 HB2 CYS 62 HB2 CYS 62 106.740 -12.012 -4.743 542 HB3 CYS 62 HB1 CYS 62 107.684 -13.279 -5.523 543 HG CYS 62 HG CYS 62 106.710 -12.663 -7.725 544 H PHE 63 HN PHE 63 105.565 -13.121 -2.505 545 HA PHE 63 HA PHE 63 107.533 -14.980 -1.462 546 HB2 PHE 63 HB2 PHE 63 106.073 -12.599 -0.459 547 HB3 PHE 63 HB1 PHE 63 106.568 -13.791 0.742 548 HD1 PHE 63 HD1 PHE 63 108.777 -13.814 1.533 549 HD2 PHE 63 HD2 PHE 63 107.886 -11.844 -2.178 550 HE1 PHE 63 HE1 PHE 63 111.103 -12.962 1.426 551 HE2 PHE 63 HE2 PHE 63 110.209 -10.990 -2.285 552 HZ PHE 63 HZ PHE 63 111.819 -11.551 -0.483 553 H GLN 64 HN GLN 64 104.049 -14.423 -1.200 554 HA GLN 64 HA GLN 64 103.518 -16.427 0.710 555 HB2 GLN 64 HB2 GLN 64 101.934 -14.600 0.037 556 HB3 GLN 64 HB1 GLN 64 101.657 -15.474 -1.470 557 HG2 GLN 64 HG2 GLN 64 100.925 -17.456 -0.162 558 HG3 GLN 64 HG1 GLN 64 101.140 -16.532 1.324 559 HE21 GLN 64 HE21 GLN 64 99.227 -15.616 2.062 560 HE22 GLN 64 HE22 GLN 64 97.931 -15.135 1.075 561 H ASP 65 HN ASP 65 103.664 -16.492 -2.813 562 HA ASP 65 HA ASP 65 102.727 -19.156 -3.129 563 HB2 ASP 65 HB2 ASP 65 102.709 -17.706 -5.029 564 HB3 ASP 65 HB1 ASP 65 104.431 -17.372 -4.860 565 H TYR 66 HN TYR 66 106.033 -17.792 -3.140 566 HA TYR 66 HA TYR 66 107.370 -20.269 -3.362 567 HB2 TYR 66 HB2 TYR 66 108.508 -18.173 -3.831 568 HB3 TYR 66 HB1 TYR 66 108.296 -17.653 -2.158 569 HD1 TYR 66 HD1 TYR 66 109.619 -20.605 -4.068 570 HD2 TYR 66 HD2 TYR 66 110.077 -17.993 -0.687 571 HE1 TYR 66 HE1 TYR 66 111.713 -21.778 -3.444 572 HE2 TYR 66 HE2 TYR 66 112.168 -19.169 -0.063 573 HH TYR 66 HH TYR 66 113.972 -20.597 -1.495 574 H TYR 67 HN TYR 67 106.392 -18.364 -0.546 575 HA TYR 67 HA TYR 67 107.609 -20.060 1.388 576 HB2 TYR 67 HB2 TYR 67 106.992 -17.740 1.903 577 HB3 TYR 67 HB1 TYR 67 105.292 -18.136 1.686 578 HD1 TYR 67 HD1 TYR 67 108.290 -19.415 3.551 579 HD2 TYR 67 HD2 TYR 67 104.062 -18.651 3.596 580 HE1 TYR 67 HE1 TYR 67 108.176 -20.180 5.907 581 HE2 TYR 67 HE2 TYR 67 103.950 -19.418 5.950 582 HH TYR 67 HH TYR 67 105.569 -21.136 7.403 583 H ASN 68 HN ASN 68 104.388 -19.916 -0.056 584 HA ASN 68 HA ASN 68 103.124 -21.773 1.629 585 HB2 ASN 68 HB2 ASN 68 101.829 -20.355 0.158 586 HB3 ASN 68 HB1 ASN 68 102.587 -21.070 -1.262 587 HD21 ASN 68 HD21 ASN 68 100.517 -21.879 -2.072 588 HD22 ASN 68 HD22 ASN 68 99.735 -23.187 -1.324 589 H THR 69 HN THR 69 104.957 -22.194 -1.365 590 HA THR 69 HA THR 69 104.441 -24.846 -1.944 591 HB THR 69 HB THR 69 106.692 -24.925 -2.965 592 HG1 THR 69 HG1 THR 69 107.974 -23.886 -1.547 593 HG21 THR 69 HG21 THR 69 106.276 -22.281 -3.842 594 HG22 THR 69 HG22 THR 69 104.680 -22.889 -3.406 595 HG23 THR 69 HG23 THR 69 105.663 -23.755 -4.586 596 H PHE 70 HN PHE 70 106.057 -23.581 0.796 597 HA PHE 70 HA PHE 70 107.300 -26.128 1.449 598 HB2 PHE 70 HB2 PHE 70 107.276 -23.435 2.819 599 HB3 PHE 70 HB1 PHE 70 108.028 -24.862 3.532 600 HD1 PHE 70 HD1 PHE 70 109.930 -25.987 2.378 601 HD2 PHE 70 HD2 PHE 70 108.288 -22.274 0.976 602 HE1 PHE 70 HE1 PHE 70 111.956 -25.612 0.996 603 HE2 PHE 70 HE2 PHE 70 110.310 -21.902 -0.404 604 HZ PHE 70 HZ PHE 70 112.147 -23.569 -0.395 605 H GLY 71 HN GLY 71 104.275 -25.426 1.409 606 HA2 GLY 71 HA2 GLY 71 102.396 -25.771 2.722 607 HA3 GLY 71 HA1 GLY 71 103.251 -27.256 3.131 608 HA PRO 72 HA PRO 72 104.458 -24.345 6.686 609 HB2 PRO 72 HB2 PRO 72 103.866 -21.690 6.535 610 HB3 PRO 72 HB1 PRO 72 105.335 -22.395 5.835 611 HG2 PRO 72 HG2 PRO 72 102.854 -21.492 4.501 612 HG3 PRO 72 HG1 PRO 72 104.523 -21.506 3.918 613 HD2 PRO 72 HD2 PRO 72 102.558 -23.378 3.228 614 HD3 PRO 72 HD1 PRO 72 104.307 -23.553 2.995 615 H GLU 73 HN GLU 73 103.209 -24.699 8.437 616 HA GLU 73 HA GLU 73 100.328 -24.338 8.266 617 HB2 GLU 73 HB2 GLU 73 101.311 -26.377 9.293 618 HB3 GLU 73 HB1 GLU 73 102.025 -25.371 10.553 619 HG2 GLU 73 HG2 GLU 73 99.813 -24.626 11.267 620 HG3 GLU 73 HG1 GLU 73 99.058 -25.529 9.953 621 H LYS 74 HN LYS 74 103.096 -22.759 9.632 622 HA LYS 74 HA LYS 74 101.777 -21.283 11.664 623 HB2 LYS 74 HB2 LYS 74 104.198 -20.272 10.194 624 HB3 LYS 74 HB1 LYS 74 103.781 -20.092 11.900 625 HG2 LYS 74 HG2 LYS 74 104.628 -22.649 10.495 626 HG3 LYS 74 HG1 LYS 74 105.549 -21.771 11.713 627 HD2 LYS 74 HD2 LYS 74 103.586 -22.152 13.294 628 HD3 LYS 74 HD1 LYS 74 102.940 -23.261 12.080 629 HE2 LYS 74 HE2 LYS 74 104.941 -24.636 12.197 630 HE3 LYS 74 HE1 LYS 74 105.690 -23.502 13.322 631 HZ1 LYS 74 HZ1 LYS 74 103.332 -24.029 14.510 632 HZ2 LYS 74 HZ2 LYS 74 104.798 -24.802 14.881 633 HZ3 LYS 74 HZ3 LYS 74 103.699 -25.529 13.808 634 H VAL 75 HN VAL 75 102.664 -20.470 8.313 635 HA VAL 75 HA VAL 75 102.193 -18.481 7.153 636 HB VAL 75 HB VAL 75 99.526 -19.727 7.760 637 HG11 VAL 75 HG11 VAL 75 99.414 -18.528 5.273 638 HG12 VAL 75 HG12 VAL 75 100.315 -17.351 6.227 639 HG13 VAL 75 HG13 VAL 75 98.714 -17.874 6.752 640 HG21 VAL 75 HG21 VAL 75 101.682 -20.814 6.470 641 HG22 VAL 75 HG22 VAL 75 100.886 -19.984 5.131 642 HG23 VAL 75 HG23 VAL 75 100.008 -21.201 6.063 643 HA PRO 76 HA PRO 76 101.338 -15.826 10.871 644 HB2 PRO 76 HB2 PRO 76 103.001 -14.000 9.200 645 HB3 PRO 76 HB1 PRO 76 103.141 -14.383 10.926 646 HG2 PRO 76 HG2 PRO 76 104.870 -15.358 9.162 647 HG3 PRO 76 HG1 PRO 76 104.309 -16.336 10.530 648 HD2 PRO 76 HD2 PRO 76 103.505 -16.473 7.654 649 HD3 PRO 76 HD1 PRO 76 103.732 -17.794 8.827 650 H VAL 77 HN VAL 77 99.500 -14.702 10.928 651 HA VAL 77 HA VAL 77 98.232 -13.782 8.477 652 HB VAL 77 HB VAL 77 97.311 -13.511 11.337 653 HG11 VAL 77 HG11 VAL 77 95.917 -13.210 8.668 654 HG12 VAL 77 HG12 VAL 77 96.138 -11.971 9.903 655 HG13 VAL 77 HG13 VAL 77 95.062 -13.336 10.205 656 HG21 VAL 77 HG21 VAL 77 95.844 -15.466 9.822 657 HG22 VAL 77 HG22 VAL 77 96.829 -15.752 11.253 658 HG23 VAL 77 HG23 VAL 77 97.557 -15.852 9.646 659 H THR 78 HN THR 78 100.206 -12.437 10.934 660 HA THR 78 HA THR 78 99.427 -9.825 11.178 661 HB THR 78 HB THR 78 101.734 -9.274 11.591 662 HG1 THR 78 HG1 THR 78 102.867 -10.037 9.936 663 HG21 THR 78 HG21 THR 78 101.816 -10.597 13.416 664 HG22 THR 78 HG22 THR 78 102.082 -12.034 12.432 665 HG23 THR 78 HG23 THR 78 100.440 -11.477 12.750 666 H ALA 79 HN ALA 79 100.831 -11.392 8.369 667 HA ALA 79 HA ALA 79 101.576 -9.161 6.868 668 HB1 ALA 79 HB1 ALA 79 100.691 -10.857 4.952 669 HB2 ALA 79 HB2 ALA 79 100.856 -11.971 6.312 670 HB3 ALA 79 HB3 ALA 79 102.248 -11.029 5.766 671 H PHE 80 HN PHE 80 98.433 -10.518 7.531 672 HA PHE 80 HA PHE 80 97.030 -9.100 5.470 673 HB2 PHE 80 HB2 PHE 80 96.178 -10.664 7.896 674 HB3 PHE 80 HB1 PHE 80 95.009 -9.755 6.952 675 HD1 PHE 80 HD1 PHE 80 94.207 -10.562 4.874 676 HD2 PHE 80 HD2 PHE 80 97.623 -12.397 6.715 677 HE1 PHE 80 HE1 PHE 80 94.126 -12.390 3.200 678 HE2 PHE 80 HE2 PHE 80 97.543 -14.228 5.045 679 HZ PHE 80 HZ PHE 80 95.795 -14.223 3.285 680 H SER 81 HN SER 81 97.768 -8.534 8.868 681 HA SER 81 HA SER 81 96.051 -6.310 9.239 682 HB2 SER 81 HB2 SER 81 98.649 -6.955 10.650 683 HB3 SER 81 HB1 SER 81 97.406 -5.844 11.218 684 HG SER 81 HG SER 81 96.493 -7.532 12.054 685 H TYR 82 HN TYR 82 99.397 -6.626 8.141 686 HA TYR 82 HA TYR 82 100.063 -3.891 8.115 687 HB2 TYR 82 HB2 TYR 82 101.097 -6.353 6.836 688 HB3 TYR 82 HB1 TYR 82 101.540 -4.835 6.065 689 HD1 TYR 82 HD1 TYR 82 101.797 -6.864 9.133 690 HD2 TYR 82 HD2 TYR 82 102.917 -3.191 7.207 691 HE1 TYR 82 HE1 TYR 82 103.487 -6.458 10.901 692 HE2 TYR 82 HE2 TYR 82 104.617 -2.787 8.974 693 HH TYR 82 HH TYR 82 104.948 -3.498 11.401 694 H TRP 83 HN TRP 83 98.831 -5.986 5.498 695 HA TRP 83 HA TRP 83 98.698 -4.046 3.494 696 HB2 TRP 83 HB2 TRP 83 98.382 -6.329 2.893 697 HB3 TRP 83 HB1 TRP 83 97.016 -6.500 3.993 698 HD1 TRP 83 HD1 TRP 83 97.931 -4.219 0.992 699 HE1 TRP 83 HE1 TRP 83 95.812 -3.898 -0.439 700 HE3 TRP 83 HE3 TRP 83 94.588 -6.921 3.749 701 HZ2 TRP 83 HZ2 TRP 83 93.061 -4.684 -0.418 702 HZ3 TRP 83 HZ3 TRP 83 92.228 -7.118 3.022 703 HH2 TRP 83 HH2 TRP 83 91.460 -6.004 0.944 704 H ASN 84 HN ASN 84 96.363 -4.853 6.022 705 HA ASN 84 HA ASN 84 94.235 -3.273 5.082 706 HB2 ASN 84 HB2 ASN 84 94.417 -5.012 7.072 707 HB3 ASN 84 HB1 ASN 84 94.747 -3.573 8.020 708 HD21 ASN 84 HD21 ASN 84 92.216 -5.518 7.184 709 HD22 ASN 84 HD22 ASN 84 90.958 -4.379 7.212 710 H LEU 85 HN LEU 85 96.671 -2.480 7.600 711 HA LEU 85 HA LEU 85 95.808 0.152 7.951 712 HB2 LEU 85 HB2 LEU 85 97.200 -1.006 9.577 713 HB3 LEU 85 HB1 LEU 85 98.529 -1.076 8.420 714 HG LEU 85 HG LEU 85 98.636 1.383 8.342 715 HD11 LEU 85 HD11 LEU 85 96.192 1.089 10.051 716 HD12 LEU 85 HD12 LEU 85 96.517 2.239 8.755 717 HD13 LEU 85 HD13 LEU 85 97.252 2.468 10.343 718 HD21 LEU 85 HD21 LEU 85 99.899 1.507 10.223 719 HD22 LEU 85 HD22 LEU 85 99.545 -0.210 10.349 720 HD23 LEU 85 HD23 LEU 85 98.598 0.956 11.271 721 H ILE 86 HN ILE 86 98.462 -1.190 5.999 722 HA ILE 86 HA ILE 86 99.406 1.243 4.988 723 HB ILE 86 HB ILE 86 99.775 -1.593 4.393 724 HG12 ILE 86 HG12 ILE 86 101.738 0.605 3.819 725 HG13 ILE 86 HG11 ILE 86 101.329 0.247 5.498 726 HG21 ILE 86 HG21 ILE 86 100.741 -1.125 2.118 727 HG22 ILE 86 HG22 ILE 86 99.926 0.428 2.153 728 HG23 ILE 86 HG23 ILE 86 98.982 -1.062 2.181 729 HD11 ILE 86 HD11 ILE 86 103.321 -1.017 4.376 730 HD12 ILE 86 HD12 ILE 86 102.050 -1.992 3.632 731 HD13 ILE 86 HD13 ILE 86 102.188 -1.912 5.389 732 H LYS 87 HN LYS 87 96.897 -0.939 3.823 733 HA LYS 87 HA LYS 87 96.420 0.140 1.328 734 HB2 LYS 87 HB2 LYS 87 95.193 -1.782 1.763 735 HB3 LYS 87 HB1 LYS 87 94.676 -1.212 3.351 736 HG2 LYS 87 HG2 LYS 87 93.084 0.293 2.422 737 HG3 LYS 87 HG1 LYS 87 93.788 0.156 0.804 738 HD2 LYS 87 HD2 LYS 87 93.107 -2.247 0.770 739 HD3 LYS 87 HD1 LYS 87 92.328 -2.016 2.336 740 HE2 LYS 87 HE2 LYS 87 90.852 -0.303 1.371 741 HE3 LYS 87 HE1 LYS 87 91.651 -0.482 -0.191 742 HZ1 LYS 87 HZ1 LYS 87 89.875 -1.872 -0.447 743 HZ2 LYS 87 HZ2 LYS 87 89.835 -2.326 1.190 744 HZ3 LYS 87 HZ3 LYS 87 91.020 -2.969 0.156 745 H GLU 88 HN GLU 88 95.031 1.150 4.460 746 HA GLU 88 HA GLU 88 93.689 3.377 3.209 747 HB2 GLU 88 HB2 GLU 88 92.506 3.539 5.163 748 HB3 GLU 88 HB1 GLU 88 93.068 1.878 5.335 749 HG2 GLU 88 HG2 GLU 88 93.633 2.797 7.399 750 HG3 GLU 88 HG1 GLU 88 95.139 2.944 6.510 751 H LEU 89 HN LEU 89 96.749 2.754 4.602 752 HA LEU 89 HA LEU 89 97.314 5.173 5.838 753 HB2 LEU 89 HB2 LEU 89 98.710 3.105 5.959 754 HB3 LEU 89 HB1 LEU 89 99.265 3.418 4.326 755 HG LEU 89 HG LEU 89 100.136 5.593 5.085 756 HD11 LEU 89 HD11 LEU 89 100.403 5.515 7.766 757 HD12 LEU 89 HD12 LEU 89 98.837 4.723 7.602 758 HD13 LEU 89 HD13 LEU 89 99.074 6.348 6.963 759 HD21 LEU 89 HD21 LEU 89 101.160 3.007 5.692 760 HD22 LEU 89 HD22 LEU 89 101.607 4.101 7.000 761 HD23 LEU 89 HD23 LEU 89 102.059 4.484 5.339 762 H ILE 90 HN ILE 90 97.689 4.153 2.482 763 HA ILE 90 HA ILE 90 99.042 6.438 1.573 764 HB ILE 90 HB ILE 90 97.215 4.492 0.130 765 HG12 ILE 90 HG12 ILE 90 100.218 4.859 0.309 766 HG13 ILE 90 HG11 ILE 90 99.288 3.539 0.993 767 HG21 ILE 90 HG21 ILE 90 97.156 6.557 -1.146 768 HG22 ILE 90 HG22 ILE 90 98.282 5.491 -1.964 769 HG23 ILE 90 HG23 ILE 90 98.888 6.797 -0.946 770 HD11 ILE 90 HD11 ILE 90 99.992 4.063 -1.868 771 HD12 ILE 90 HD12 ILE 90 98.444 3.296 -1.530 772 HD13 ILE 90 HD13 ILE 90 99.939 2.531 -1.001 773 H ASP 91 HN ASP 91 95.577 5.680 1.802 774 HA ASP 91 HA ASP 91 94.543 7.911 0.478 775 HB2 ASP 91 HB2 ASP 91 93.455 6.261 2.763 776 HB3 ASP 91 HB1 ASP 91 92.523 7.531 1.972 777 H LYS 92 HN LYS 92 96.196 7.704 3.467 778 HA LYS 92 HA LYS 92 95.054 9.877 4.858 779 HB2 LYS 92 HB2 LYS 92 96.811 8.073 5.613 780 HB3 LYS 92 HB1 LYS 92 97.984 9.257 5.038 781 HG2 LYS 92 HG2 LYS 92 97.052 10.959 6.526 782 HG3 LYS 92 HG1 LYS 92 95.790 9.844 7.049 783 HD2 LYS 92 HD2 LYS 92 97.470 8.334 7.990 784 HD3 LYS 92 HD1 LYS 92 98.762 9.399 7.433 785 HE2 LYS 92 HE2 LYS 92 97.886 11.215 8.848 786 HE3 LYS 92 HE1 LYS 92 96.583 10.163 9.402 787 HZ1 LYS 92 HZ1 LYS 92 97.934 9.135 10.819 788 HZ2 LYS 92 HZ2 LYS 92 99.022 10.416 10.568 789 HZ3 LYS 92 HZ3 LYS 92 99.178 8.978 9.678 790 H LYS 93 HN LYS 93 95.226 12.016 4.610 791 HA LYS 93 HA LYS 93 96.375 13.146 2.288 792 HB2 LYS 93 HB2 LYS 93 95.456 14.456 4.860 793 HB3 LYS 93 HB1 LYS 93 95.857 15.321 3.377 794 HG2 LYS 93 HG2 LYS 93 93.874 13.076 3.250 795 HG3 LYS 93 HG1 LYS 93 93.351 14.640 3.872 796 HD2 LYS 93 HD2 LYS 93 94.181 15.724 1.798 797 HD3 LYS 93 HD1 LYS 93 94.641 14.145 1.169 798 HE2 LYS 93 HE2 LYS 93 92.339 13.392 1.209 799 HE3 LYS 93 HE1 LYS 93 91.826 14.883 2.001 800 HZ1 LYS 93 HZ1 LYS 93 92.986 14.627 -0.720 801 HZ2 LYS 93 HZ2 LYS 93 92.647 16.106 0.046 802 HZ3 LYS 93 HZ3 LYS 93 91.385 15.034 -0.336 803 H GLU 94 HN GLU 94 97.508 12.831 5.599 804 HA GLU 94 HA GLU 94 99.764 14.542 5.332 805 HB2 GLU 94 HB2 GLU 94 98.674 13.742 7.499 806 HB3 GLU 94 HB1 GLU 94 99.542 12.226 7.251 807 HG2 GLU 94 HG2 GLU 94 101.682 13.416 7.222 808 HG3 GLU 94 HG1 GLU 94 100.845 14.959 7.372 809 H VAL 95 HN VAL 95 99.982 13.262 3.050 810 HA VAL 95 HA VAL 95 101.432 10.816 3.092 811 HB VAL 95 HB VAL 95 101.927 11.344 0.719 812 HG11 VAL 95 HG11 VAL 95 99.090 11.900 1.625 813 HG12 VAL 95 HG12 VAL 95 99.788 10.317 1.285 814 HG13 VAL 95 HG13 VAL 95 99.560 11.478 -0.023 815 HG21 VAL 95 HG21 VAL 95 100.935 13.463 -0.201 816 HG22 VAL 95 HG22 VAL 95 102.266 13.760 0.918 817 HG23 VAL 95 HG23 VAL 95 100.600 13.979 1.453 818 H ASN 96 HN ASN 96 103.598 10.416 3.047 819 HA ASN 96 HA ASN 96 105.324 12.233 4.287 820 HB2 ASN 96 HB2 ASN 96 105.529 9.561 3.092 821 HB3 ASN 96 HB1 ASN 96 107.019 10.492 2.975 822 HD21 ASN 96 HD21 ASN 96 104.464 9.803 5.439 823 HD22 ASN 96 HD22 ASN 96 105.553 9.656 6.732 824 HA PRO 97 HA PRO 97 106.932 14.912 1.190 825 HB2 PRO 97 HB2 PRO 97 109.676 14.528 1.518 826 HB3 PRO 97 HB1 PRO 97 108.671 15.640 2.465 827 HG2 PRO 97 HG2 PRO 97 109.610 12.900 3.131 828 HG3 PRO 97 HG1 PRO 97 109.426 14.318 4.180 829 HD2 PRO 97 HD2 PRO 97 107.646 12.323 4.237 830 HD3 PRO 97 HD1 PRO 97 107.122 14.010 4.414 831 H GLN 98 HN GLN 98 107.528 11.577 1.113 832 HA GLN 98 HA GLN 98 109.204 11.134 -1.022 833 HB2 GLN 98 HB2 GLN 98 108.261 9.025 -1.181 834 HB3 GLN 98 HB1 GLN 98 107.769 9.497 0.445 835 HG2 GLN 98 HG2 GLN 98 105.673 10.493 -0.770 836 HG3 GLN 98 HG1 GLN 98 106.142 9.405 -2.081 837 HE21 GLN 98 HE21 GLN 98 104.022 8.260 -1.540 838 HE22 GLN 98 HE22 GLN 98 104.015 7.149 -0.256 839 H VAL 99 HN VAL 99 106.267 12.846 -1.047 840 HA VAL 99 HA VAL 99 105.323 12.341 -3.654 841 HB VAL 99 HB VAL 99 105.168 14.856 -1.974 842 HG11 VAL 99 HG11 VAL 99 104.636 15.626 -4.113 843 HG12 VAL 99 HG12 VAL 99 103.057 15.118 -3.514 844 HG13 VAL 99 HG13 VAL 99 103.961 14.075 -4.612 845 HG21 VAL 99 HG21 VAL 99 102.771 13.928 -1.701 846 HG22 VAL 99 HG22 VAL 99 104.057 13.108 -0.812 847 HG23 VAL 99 HG23 VAL 99 103.428 12.406 -2.302 848 H MET 100 HN MET 100 107.578 14.825 -2.459 849 HA MET 100 HA MET 100 108.047 16.024 -4.988 850 HB2 MET 100 HB2 MET 100 109.590 15.996 -2.399 851 HB3 MET 100 HB1 MET 100 110.165 16.862 -3.824 852 HG2 MET 100 HG2 MET 100 108.116 18.182 -3.900 853 HG3 MET 100 HG1 MET 100 107.439 17.261 -2.560 854 HE1 MET 100 HE1 MET 100 110.704 20.403 -2.612 855 HE2 MET 100 HE2 MET 100 110.050 19.443 -3.934 856 HE3 MET 100 HE3 MET 100 111.294 18.760 -2.891 857 H ALA 101 HN ALA 101 109.671 13.414 -3.218 858 HA ALA 101 HA ALA 101 111.736 13.105 -5.198 859 HB1 ALA 101 HB1 ALA 101 112.324 11.089 -3.833 860 HB2 ALA 101 HB2 ALA 101 110.901 11.394 -2.831 861 HB3 ALA 101 HB3 ALA 101 112.223 12.562 -2.864 862 H ALA 102 HN ALA 102 108.531 12.195 -4.955 863 HA ALA 102 HA ALA 102 108.822 9.724 -6.509 864 HB1 ALA 102 HB1 ALA 102 107.226 9.582 -4.728 865 HB2 ALA 102 HB2 ALA 102 106.328 9.595 -6.249 866 HB3 ALA 102 HB3 ALA 102 106.417 11.054 -5.265 867 H VAL 103 HN VAL 103 108.287 13.050 -7.005 868 HA VAL 103 HA VAL 103 106.716 12.846 -9.397 869 HB VAL 103 HB VAL 103 108.373 15.126 -8.294 870 HG11 VAL 103 HG11 VAL 103 106.592 16.355 -9.827 871 HG12 VAL 103 HG12 VAL 103 106.596 14.816 -10.689 872 HG13 VAL 103 HG13 VAL 103 108.091 15.736 -10.519 873 HG21 VAL 103 HG21 VAL 103 105.867 13.975 -7.511 874 HG22 VAL 103 HG22 VAL 103 105.553 15.560 -8.216 875 HG23 VAL 103 HG23 VAL 103 106.661 15.405 -6.854 876 H ALA 104 HN ALA 104 109.801 11.907 -8.774 877 HA ALA 104 HA ALA 104 111.337 12.983 -10.859 878 HB1 ALA 104 HB1 ALA 104 111.446 10.378 -9.349 879 HB2 ALA 104 HB2 ALA 104 112.509 11.778 -9.204 880 HB3 ALA 104 HB3 ALA 104 112.597 10.747 -10.632 881 H GLN 105 HN GLN 105 109.071 10.278 -10.787 882 HA GLN 105 HA GLN 105 109.143 10.231 -13.731 883 HB2 GLN 105 HB2 GLN 105 109.329 7.828 -11.905 884 HB3 GLN 105 HB1 GLN 105 108.964 7.729 -13.628 885 HG2 GLN 105 HG2 GLN 105 111.089 8.809 -14.174 886 HG3 GLN 105 HG1 GLN 105 111.451 9.007 -12.461 887 HE21 GLN 105 HE21 GLN 105 113.401 7.621 -13.605 888 HE22 GLN 105 HE22 GLN 105 113.248 5.945 -13.383 889 H THR 106 HN THR 106 107.159 10.687 -14.413 890 HA THR 106 HA THR 106 104.855 9.896 -12.743 891 HB THR 106 HB THR 106 103.604 11.605 -14.008 892 HG1 THR 106 HG1 THR 106 105.526 11.312 -15.715 893 HG21 THR 106 HG21 THR 106 105.501 12.015 -12.040 894 HG22 THR 106 HG22 THR 106 104.329 13.213 -12.589 895 HG23 THR 106 HG23 THR 106 105.956 13.196 -13.267 896 H GLU 107 HN GLU 107 106.563 8.658 -15.189 897 HA GLU 107 HA GLU 107 104.207 7.741 -16.720 898 HB2 GLU 107 HB2 GLU 107 107.153 7.719 -17.427 899 HB3 GLU 107 HB1 GLU 107 105.866 7.056 -18.434 900 HG2 GLU 107 HG2 GLU 107 104.802 9.240 -18.615 901 HG3 GLU 107 HG1 GLU 107 105.980 9.942 -17.509 902 H GLU 108 HN GLU 108 104.281 5.458 -17.448 903 HA GLU 108 HA GLU 108 104.956 3.733 -15.204 904 HB2 GLU 108 HB2 GLU 108 103.552 3.219 -17.835 905 HB3 GLU 108 HB1 GLU 108 103.832 1.977 -16.611 906 HG2 GLU 108 HG2 GLU 108 102.556 3.268 -14.969 907 HG3 GLU 108 HG1 GLU 108 102.340 4.576 -16.130 908 H ILE 109 HN ILE 109 106.791 2.615 -15.061 909 HA ILE 109 HA ILE 109 108.908 2.785 -16.846 910 HB ILE 109 HB ILE 109 109.829 0.796 -15.651 911 HG12 ILE 109 HG12 ILE 109 107.176 0.736 -14.183 912 HG13 ILE 109 HG11 ILE 109 107.548 -0.364 -15.508 913 HG21 ILE 109 HG21 ILE 109 109.113 1.855 -13.235 914 HG22 ILE 109 HG22 ILE 109 108.693 3.185 -14.312 915 HG23 ILE 109 HG23 ILE 109 110.342 2.557 -14.288 916 HD11 ILE 109 HD11 ILE 109 109.627 -0.178 -13.417 917 HD12 ILE 109 HD12 ILE 109 108.997 -1.591 -14.263 918 HD13 ILE 109 HD13 ILE 109 108.104 -0.906 -12.905 919 H LEU 110 HN LEU 110 106.084 0.804 -16.995 920 HA LEU 110 HA LEU 110 107.041 -1.278 -18.651 921 HB2 LEU 110 HB2 LEU 110 104.286 -0.054 -18.367 922 HB3 LEU 110 HB1 LEU 110 104.618 -1.514 -19.296 923 HG LEU 110 HG LEU 110 105.328 -1.169 -16.369 924 HD11 LEU 110 HD11 LEU 110 103.381 -2.924 -16.200 925 HD12 LEU 110 HD12 LEU 110 102.865 -2.217 -17.731 926 HD13 LEU 110 HD13 LEU 110 102.998 -1.205 -16.293 927 HD21 LEU 110 HD21 LEU 110 105.734 -3.287 -18.410 928 HD22 LEU 110 HD22 LEU 110 105.122 -3.851 -16.857 929 HD23 LEU 110 HD23 LEU 110 106.638 -2.954 -16.934 930 H LYS 111 HN LYS 111 105.630 1.892 -19.384 931 HA LYS 111 HA LYS 111 105.555 1.572 -22.189 932 HB2 LYS 111 HB2 LYS 111 104.281 3.301 -20.932 933 HB3 LYS 111 HB1 LYS 111 105.798 4.154 -20.635 934 HG2 LYS 111 HG2 LYS 111 106.164 4.388 -23.052 935 HG3 LYS 111 HG1 LYS 111 104.685 3.484 -23.387 936 HD2 LYS 111 HD2 LYS 111 103.372 5.218 -22.195 937 HD3 LYS 111 HD1 LYS 111 104.855 6.127 -21.902 938 HE2 LYS 111 HE2 LYS 111 105.219 6.300 -24.348 939 HE3 LYS 111 HE1 LYS 111 103.709 5.431 -24.620 940 HZ1 LYS 111 HZ1 LYS 111 102.588 7.208 -23.320 941 HZ2 LYS 111 HZ2 LYS 111 103.263 7.744 -24.784 942 HZ3 LYS 111 HZ3 LYS 111 104.048 8.071 -23.312 943 H SER 112 HN SER 112 108.037 2.635 -19.947 944 HA SER 112 HA SER 112 109.798 3.857 -21.729 945 HB2 SER 112 HB2 SER 112 110.379 2.249 -19.238 946 HB3 SER 112 HB1 SER 112 111.572 3.232 -20.077 947 HG SER 112 HG SER 112 109.454 3.963 -18.467 948 H ASN 113 HN ASN 113 109.613 0.455 -20.724 949 HA ASN 113 HA ASN 113 111.768 -0.482 -22.290 950 HB2 ASN 113 HB2 ASN 113 109.270 -1.958 -21.419 951 HB3 ASN 113 HB1 ASN 113 110.751 -2.708 -22.010 952 HD21 ASN 113 HD21 ASN 113 112.288 -0.435 -20.532 953 HD22 ASN 113 HD22 ASN 113 112.313 -0.973 -18.922 954 H SER 114 HN SER 114 108.283 -0.325 -22.974 955 HA SER 114 HA SER 114 108.779 0.022 -25.788 956 HB2 SER 114 HB2 SER 114 107.537 -2.005 -26.504 957 HB3 SER 114 HB1 SER 114 109.052 -2.390 -25.693 958 HG SER 114 HG SER 114 106.819 -3.391 -25.072 959 H GLN 115 HN GLN 115 106.767 0.358 -26.999 960 HA GLN 115 HA GLN 115 104.655 1.419 -25.234 961 HB2 GLN 115 HB2 GLN 115 105.369 2.038 -28.101 962 HB3 GLN 115 HB1 GLN 115 103.965 2.700 -27.275 963 HG2 GLN 115 HG2 GLN 115 105.403 3.735 -25.594 964 HG3 GLN 115 HG1 GLN 115 106.829 3.010 -26.334 965 HE21 GLN 115 HE21 GLN 115 107.204 5.603 -26.304 966 HE22 GLN 115 HE22 GLN 115 106.789 6.376 -27.757 967 H THR 116 HN THR 116 105.200 -1.409 -26.496 968 HA THR 116 HA THR 116 103.008 -1.940 -28.230 969 HB THR 116 HB THR 116 103.468 -4.313 -27.714 970 HG1 THR 116 HG1 THR 116 105.459 -3.346 -25.960 971 HG21 THR 116 HG21 THR 116 105.391 -2.348 -28.661 972 HG22 THR 116 HG22 THR 116 105.041 -3.959 -29.286 973 HG23 THR 116 HG23 THR 116 106.198 -3.757 -27.971 974 H ASP 117 HN ASP 117 103.239 -1.480 -24.835 975 HA ASP 117 HA ASP 117 100.878 -2.985 -24.139 976 HB2 ASP 117 HB2 ASP 117 102.620 -1.016 -22.663 977 HB3 ASP 117 HB1 ASP 117 101.142 -1.663 -21.955 978 H LEU 118 HN LEU 118 101.419 0.440 -23.433 979 HA LEU 118 HA LEU 118 98.676 1.091 -23.564 980 HB2 LEU 118 HB2 LEU 118 101.208 2.718 -23.541 981 HB3 LEU 118 HB1 LEU 118 99.640 3.500 -23.724 982 HG LEU 118 HG LEU 118 100.316 1.578 -21.475 983 HD11 LEU 118 HD11 LEU 118 100.716 4.519 -21.778 984 HD12 LEU 118 HD12 LEU 118 101.664 3.345 -20.866 985 HD13 LEU 118 HD13 LEU 118 100.130 3.934 -20.221 986 HD21 LEU 118 HD21 LEU 118 97.897 3.043 -22.340 987 HD22 LEU 118 HD22 LEU 118 98.282 3.224 -20.631 988 HD23 LEU 118 HD23 LEU 118 98.047 1.618 -21.314 989 H GLU 119 HN GLU 119 101.293 1.382 -25.913 990 HA GLU 119 HA GLU 119 101.289 1.855 -28.168 991 HB2 GLU 119 HB2 GLU 119 98.500 0.701 -27.889 992 HB3 GLU 119 HB1 GLU 119 99.307 1.010 -29.427 993 HG2 GLU 119 HG2 GLU 119 101.115 -0.524 -28.820 994 HG3 GLU 119 HG1 GLU 119 100.381 -0.791 -27.240 995 H HIS 120 HN HIS 120 101.455 4.102 -27.980 996 HA HIS 120 HA HIS 120 98.955 5.553 -28.591 997 HB2 HIS 120 HB2 HIS 120 99.708 5.858 -26.184 998 HB3 HIS 120 HB1 HIS 120 101.138 6.665 -26.825 999 HD1 HIS 120 HD1 HIS 120 97.351 6.971 -26.859 1000 HD2 HIS 120 HD2 HIS 120 100.720 9.318 -27.580 1001 HE1 HIS 120 HE1 HIS 120 96.515 9.337 -27.202 1002 HE2 HIS 120 HE2 HIS 120 98.557 10.780 -27.643 1003 H HIS 121 HN HIS 121 99.138 7.198 -30.074 1004 HA HIS 121 HA HIS 121 101.798 7.525 -31.336 1005 HB2 HIS 121 HB2 HIS 121 99.074 7.647 -32.653 1006 HB3 HIS 121 HB1 HIS 121 100.628 7.867 -33.458 1007 HD1 HIS 121 HD1 HIS 121 102.341 5.698 -33.064 1008 HD2 HIS 121 HD2 HIS 121 98.244 5.017 -32.691 1009 HE1 HIS 121 HE1 HIS 121 102.006 3.197 -33.290 1010 HE2 HIS 121 HE2 HIS 121 99.514 2.766 -33.065 1011 H HIS 122 HN HIS 122 102.379 9.586 -32.047 1012 HA HIS 122 HA HIS 122 100.945 11.765 -30.694 1013 HB2 HIS 122 HB2 HIS 122 103.701 11.642 -31.940 1014 HB3 HIS 122 HB1 HIS 122 103.010 13.076 -31.180 1015 HD1 HIS 122 HD1 HIS 122 101.724 11.957 -28.692 1016 HD2 HIS 122 HD2 HIS 122 105.456 10.669 -30.033 1017 HE1 HIS 122 HE1 HIS 122 102.907 10.970 -26.682 1018 HE2 HIS 122 HE2 HIS 122 105.184 10.181 -27.483 1019 H HIS 123 HN HIS 123 100.014 13.440 -31.765 1020 HA HIS 123 HA HIS 123 99.156 13.119 -34.414 1021 HB2 HIS 123 HB2 HIS 123 99.331 15.600 -32.695 1022 HB3 HIS 123 HB1 HIS 123 98.500 15.534 -34.249 1023 HD1 HIS 123 HD1 HIS 123 96.637 13.469 -34.368 1024 HD2 HIS 123 HD2 HIS 123 97.685 14.896 -30.593 1025 HE1 HIS 123 HE1 HIS 123 94.805 12.724 -32.786 1026 HE2 HIS 123 HE2 HIS 123 95.429 13.586 -30.481 1027 H HIS 124 HN HIS 124 101.747 15.163 -33.079 1028 HA HIS 124 HA HIS 124 102.775 15.530 -35.831 1029 HB2 HIS 124 HB2 HIS 124 103.124 17.275 -33.383 1030 HB3 HIS 124 HB1 HIS 124 103.897 17.554 -34.944 1031 HD1 HIS 124 HD1 HIS 124 102.259 18.044 -36.997 1032 HD2 HIS 124 HD2 HIS 124 100.464 18.133 -33.236 1033 HE1 HIS 124 HE1 HIS 124 100.022 19.193 -37.298 1034 HE2 HIS 124 HE2 HIS 124 98.915 19.255 -35.014 1035 H HIS 125 HN HIS 125 104.576 14.468 -36.294 1036 HA HIS 125 HA HIS 125 106.208 13.389 -34.104 1037 HB2 HIS 125 HB2 HIS 125 105.605 11.728 -35.702 1038 HB3 HIS 125 HB1 HIS 125 106.048 12.768 -37.055 1039 HD1 HIS 125 HD1 HIS 125 107.664 10.960 -34.124 1040 HD2 HIS 125 HD2 HIS 125 108.715 12.571 -37.822 1041 HE1 HIS 125 HE1 HIS 125 110.078 10.307 -34.530 1042 HE2 HIS 125 HE2 HIS 125 110.733 11.282 -36.781 Start of MODEL 11 1 H21 MYR 1 1H2 MYR 1 116.558 8.566 -0.681 2 H22 MYR 1 2H2 MYR 1 115.747 9.385 0.468 3 H31 MYR 1 1H3 MYR 1 114.192 10.103 -1.289 4 H32 MYR 1 2H3 MYR 1 114.908 9.022 -2.272 5 H41 MYR 1 1H4 MYR 1 113.563 7.497 -1.501 6 H42 MYR 1 2H4 MYR 1 114.287 7.633 -0.049 7 H51 MYR 1 1H5 MYR 1 112.581 9.678 -0.080 8 H52 MYR 1 2H5 MYR 1 111.729 8.474 -0.777 9 H61 MYR 1 1H6 MYR 1 112.665 7.178 1.247 10 H62 MYR 1 2H6 MYR 1 112.649 8.667 1.906 11 H71 MYR 1 1H7 MYR 1 110.402 8.801 1.865 12 H72 MYR 1 2H7 MYR 1 110.260 7.649 0.721 13 H81 MYR 1 1H8 MYR 1 111.295 6.595 3.061 14 H82 MYR 1 2H8 MYR 1 109.851 7.300 3.328 15 H91 MYR 1 1H9 MYR 1 109.514 5.726 1.152 16 H92 MYR 1 2H9 MYR 1 110.323 4.821 2.239 17 H101 MYR 1 1H10 MYR 1 108.041 6.191 3.217 18 H102 MYR 1 2H10 MYR 1 107.748 4.924 2.236 19 H111 MYR 1 1H11 MYR 1 109.505 3.956 4.012 20 H112 MYR 1 2H11 MYR 1 108.507 4.868 4.917 21 H121 MYR 1 1H12 MYR 1 107.174 3.127 4.953 22 H122 MYR 1 2H12 MYR 1 106.798 3.510 3.416 23 H131 MYR 1 1H13 MYR 1 108.358 2.001 2.577 24 H132 MYR 1 2H13 MYR 1 108.987 1.740 4.055 25 H141 MYR 1 1H14 MYR 1 106.381 0.873 3.154 26 H142 MYR 1 2H14 MYR 1 107.645 -0.090 3.558 27 H143 MYR 1 3H14 MYR 1 106.872 0.766 4.713 28 H GLY 2 HN GLY 2 118.273 9.310 -0.956 29 HA2 GLY 2 HA2 GLY 2 119.890 10.704 -0.083 30 HA3 GLY 2 HA1 GLY 2 118.820 12.061 -0.414 31 H GLN 3 HN GLN 3 118.771 13.178 1.456 32 HA GLN 3 HA GLN 3 119.002 12.125 4.040 33 HB2 GLN 3 HB2 GLN 3 119.267 14.540 3.387 34 HB3 GLN 3 HB1 GLN 3 117.509 14.644 3.278 35 HG2 GLN 3 HG2 GLN 3 118.140 15.401 5.479 36 HG3 GLN 3 HG1 GLN 3 117.396 13.815 5.661 37 HE21 GLN 3 HE21 GLN 3 118.537 12.779 7.313 38 HE22 GLN 3 HE22 GLN 3 120.231 12.697 7.408 39 H GLU 4 HN GLU 4 116.238 12.468 1.932 40 HA GLU 4 HA GLU 4 114.075 12.367 3.594 41 HB2 GLU 4 HB2 GLU 4 114.546 10.832 1.042 42 HB3 GLU 4 HB1 GLU 4 112.980 10.934 1.837 43 HG2 GLU 4 HG2 GLU 4 112.987 13.360 1.627 44 HG3 GLU 4 HG1 GLU 4 114.613 13.327 0.945 45 H LEU 5 HN LEU 5 116.538 9.987 3.244 46 HA LEU 5 HA LEU 5 115.413 7.596 3.882 47 HB2 LEU 5 HB2 LEU 5 117.860 7.993 3.613 48 HB3 LEU 5 HB1 LEU 5 117.891 8.724 5.214 49 HG LEU 5 HG LEU 5 117.028 6.599 6.183 50 HD11 LEU 5 HD11 LEU 5 116.933 5.903 3.286 51 HD12 LEU 5 HD12 LEU 5 115.867 5.406 4.599 52 HD13 LEU 5 HD13 LEU 5 117.437 4.632 4.396 53 HD21 LEU 5 HD21 LEU 5 119.100 5.405 6.053 54 HD22 LEU 5 HD22 LEU 5 119.502 7.115 5.904 55 HD23 LEU 5 HD23 LEU 5 119.469 6.089 4.470 56 H SER 6 HN SER 6 115.816 10.364 6.007 57 HA SER 6 HA SER 6 115.273 9.160 8.480 58 HB2 SER 6 HB2 SER 6 114.532 11.417 9.185 59 HB3 SER 6 HB1 SER 6 116.058 11.462 8.307 60 HG SER 6 HG SER 6 113.453 12.052 7.338 61 H GLN 7 HN GLN 7 113.145 10.129 5.868 62 HA GLN 7 HA GLN 7 110.671 10.126 7.147 63 HB2 GLN 7 HB2 GLN 7 111.410 9.198 4.359 64 HB3 GLN 7 HB1 GLN 7 109.757 9.450 4.916 65 HG2 GLN 7 HG2 GLN 7 110.208 11.795 5.365 66 HG3 GLN 7 HG1 GLN 7 111.913 11.577 4.971 67 HE21 GLN 7 HE21 GLN 7 111.008 13.460 3.400 68 HE22 GLN 7 HE22 GLN 7 110.530 12.914 1.866 69 H HIS 8 HN HIS 8 112.566 7.409 5.848 70 HA HIS 8 HA HIS 8 110.649 5.386 6.322 71 HB2 HIS 8 HB2 HIS 8 112.627 5.065 4.881 72 HB3 HIS 8 HB1 HIS 8 113.672 5.184 6.297 73 HD1 HIS 8 HD1 HIS 8 110.686 3.089 5.159 74 HD2 HIS 8 HD2 HIS 8 114.135 2.731 7.475 75 HE1 HIS 8 HE1 HIS 8 110.797 0.673 5.908 76 HE2 HIS 8 HE2 HIS 8 112.894 0.438 7.322 77 H GLU 9 HN GLU 9 113.388 6.562 8.279 78 HA GLU 9 HA GLU 9 113.307 4.849 10.424 79 HB2 GLU 9 HB2 GLU 9 113.684 7.847 10.444 80 HB3 GLU 9 HB1 GLU 9 114.012 6.813 11.825 81 HG2 GLU 9 HG2 GLU 9 115.636 5.531 10.491 82 HG3 GLU 9 HG1 GLU 9 115.298 6.550 9.092 83 H ARG 10 HN ARG 10 111.049 7.416 9.645 84 HA ARG 10 HA ARG 10 109.608 7.241 12.153 85 HB2 ARG 10 HB2 ARG 10 108.583 8.430 9.576 86 HB3 ARG 10 HB1 ARG 10 108.103 8.826 11.219 87 HG2 ARG 10 HG2 ARG 10 110.414 9.638 11.691 88 HG3 ARG 10 HG1 ARG 10 110.825 9.345 10.006 89 HD2 ARG 10 HD2 ARG 10 109.050 10.907 9.296 90 HD3 ARG 10 HD1 ARG 10 108.661 11.219 10.985 91 HE ARG 10 HE ARG 10 111.409 11.724 10.570 92 HH11 ARG 10 HH11 ARG 10 112.096 13.880 10.366 93 HH12 ARG 10 HH12 ARG 10 110.954 15.109 9.939 94 HH21 ARG 10 HH21 ARG 10 108.270 12.923 9.744 95 HH22 ARG 10 HH22 ARG 10 108.788 14.568 9.587 96 H TYR 11 HN TYR 11 109.038 6.164 8.817 97 HA TYR 11 HA TYR 11 106.543 5.008 9.073 98 HB2 TYR 11 HB2 TYR 11 107.577 5.084 6.914 99 HB3 TYR 11 HB1 TYR 11 108.934 4.098 7.460 100 HD1 TYR 11 HD1 TYR 11 105.268 4.065 6.820 101 HD2 TYR 11 HD2 TYR 11 108.805 1.724 7.480 102 HE1 TYR 11 HE1 TYR 11 104.022 2.005 6.214 103 HE2 TYR 11 HE2 TYR 11 107.563 -0.330 6.867 104 HH TYR 11 HH TYR 11 105.644 -1.060 5.768 105 H VAL 12 HN VAL 12 109.702 3.550 9.815 106 HA VAL 12 HA VAL 12 108.712 0.998 10.580 107 HB VAL 12 HB VAL 12 111.240 2.526 11.168 108 HG11 VAL 12 HG11 VAL 12 111.948 0.172 12.101 109 HG12 VAL 12 HG12 VAL 12 110.223 -0.019 12.401 110 HG13 VAL 12 HG13 VAL 12 111.104 1.307 13.158 111 HG21 VAL 12 HG21 VAL 12 112.106 1.251 9.483 112 HG22 VAL 12 HG22 VAL 12 110.427 1.056 9.008 113 HG23 VAL 12 HG23 VAL 12 111.211 -0.194 9.977 114 H GLU 13 HN GLU 13 109.493 3.895 12.495 115 HA GLU 13 HA GLU 13 108.760 2.759 15.002 116 HB2 GLU 13 HB2 GLU 13 110.184 4.761 14.812 117 HB3 GLU 13 HB1 GLU 13 108.820 5.666 14.153 118 HG2 GLU 13 HG2 GLU 13 107.560 5.352 16.216 119 HG3 GLU 13 HG1 GLU 13 108.837 4.330 16.874 120 H GLN 14 HN GLN 14 106.986 4.636 12.585 121 HA GLN 14 HA GLN 14 104.615 4.856 14.131 122 HB2 GLN 14 HB2 GLN 14 105.233 6.423 12.278 123 HB3 GLN 14 HB1 GLN 14 104.930 5.113 11.132 124 HG2 GLN 14 HG2 GLN 14 102.952 6.553 11.315 125 HG3 GLN 14 HG1 GLN 14 102.593 4.948 11.980 126 HE21 GLN 14 HE21 GLN 14 101.171 5.365 13.702 127 HE22 GLN 14 HE22 GLN 14 101.479 6.478 14.946 128 H LEU 15 HN LEU 15 104.935 3.265 10.980 129 HA LEU 15 HA LEU 15 102.753 1.715 10.931 130 HB2 LEU 15 HB2 LEU 15 104.949 1.732 9.401 131 HB3 LEU 15 HB1 LEU 15 105.292 0.259 10.308 132 HG LEU 15 HG LEU 15 104.062 -0.318 8.275 133 HD11 LEU 15 HD11 LEU 15 102.368 -1.636 9.260 134 HD12 LEU 15 HD12 LEU 15 102.043 -0.444 10.509 135 HD13 LEU 15 HD13 LEU 15 103.528 -1.392 10.559 136 HD21 LEU 15 HD21 LEU 15 101.556 1.002 9.016 137 HD22 LEU 15 HD22 LEU 15 102.359 0.935 7.453 138 HD23 LEU 15 HD23 LEU 15 102.832 2.148 8.638 139 H LYS 16 HN LYS 16 105.758 0.703 12.556 140 HA LYS 16 HA LYS 16 104.763 -1.710 13.612 141 HB2 LYS 16 HB2 LYS 16 106.906 0.110 14.743 142 HB3 LYS 16 HB1 LYS 16 106.651 -1.564 15.180 143 HG2 LYS 16 HG2 LYS 16 107.118 -0.720 12.315 144 HG3 LYS 16 HG1 LYS 16 108.446 -1.115 13.417 145 HD2 LYS 16 HD2 LYS 16 108.156 -3.262 12.902 146 HD3 LYS 16 HD1 LYS 16 106.565 -3.203 13.650 147 HE2 LYS 16 HE2 LYS 16 106.300 -3.979 11.380 148 HE3 LYS 16 HE1 LYS 16 105.626 -2.354 11.501 149 HZ1 LYS 16 HZ1 LYS 16 108.448 -2.614 10.785 150 HZ2 LYS 16 HZ2 LYS 16 107.304 -1.459 10.291 151 HZ3 LYS 16 HZ3 LYS 16 107.300 -3.013 9.605 152 H GLN 17 HN GLN 17 104.684 1.579 14.821 153 HA GLN 17 HA GLN 17 103.630 0.952 17.413 154 HB2 GLN 17 HB2 GLN 17 103.931 3.430 15.797 155 HB3 GLN 17 HB1 GLN 17 102.818 3.461 17.153 156 HG2 GLN 17 HG2 GLN 17 104.548 2.836 18.685 157 HG3 GLN 17 HG1 GLN 17 105.665 2.466 17.375 158 HE21 GLN 17 HE21 GLN 17 106.937 4.166 18.832 159 HE22 GLN 17 HE22 GLN 17 106.763 5.789 18.366 160 H ALA 18 HN ALA 18 102.053 2.373 14.539 161 HA ALA 18 HA ALA 18 99.428 2.284 15.417 162 HB1 ALA 18 HB1 ALA 18 98.816 2.692 13.224 163 HB2 ALA 18 HB2 ALA 18 100.023 1.583 12.572 164 HB3 ALA 18 HB3 ALA 18 100.515 3.166 13.175 165 H LEU 19 HN LEU 19 101.520 -0.276 14.740 166 HA LEU 19 HA LEU 19 99.423 -2.225 14.160 167 HB2 LEU 19 HB2 LEU 19 102.383 -2.253 14.220 168 HB3 LEU 19 HB1 LEU 19 101.589 -3.780 14.568 169 HG LEU 19 HG LEU 19 100.898 -2.061 12.170 170 HD11 LEU 19 HD11 LEU 19 102.361 -3.388 10.841 171 HD12 LEU 19 HD12 LEU 19 102.599 -4.559 12.136 172 HD13 LEU 19 HD13 LEU 19 103.319 -2.958 12.254 173 HD21 LEU 19 HD21 LEU 19 99.262 -3.586 11.873 174 HD22 LEU 19 HD22 LEU 19 99.719 -4.365 13.383 175 HD23 LEU 19 HD23 LEU 19 100.451 -4.886 11.871 176 H LYS 20 HN LYS 20 101.821 -1.705 16.741 177 HA LYS 20 HA LYS 20 101.160 -3.683 18.496 178 HB2 LYS 20 HB2 LYS 20 102.951 -1.995 18.860 179 HB3 LYS 20 HB1 LYS 20 101.709 -0.816 19.280 180 HG2 LYS 20 HG2 LYS 20 100.959 -2.249 21.139 181 HG3 LYS 20 HG1 LYS 20 102.181 -3.447 20.711 182 HD2 LYS 20 HD2 LYS 20 103.959 -1.784 21.124 183 HD3 LYS 20 HD1 LYS 20 102.736 -0.589 21.561 184 HE2 LYS 20 HE2 LYS 20 101.985 -2.017 23.418 185 HE3 LYS 20 HE1 LYS 20 103.181 -3.236 22.976 186 HZ1 LYS 20 HZ1 LYS 20 103.569 -0.605 24.205 187 HZ2 LYS 20 HZ2 LYS 20 104.788 -1.200 23.184 188 HZ3 LYS 20 HZ3 LYS 20 104.321 -2.084 24.558 189 H THR 21 HN THR 21 99.486 -0.599 18.054 190 HA THR 21 HA THR 21 97.613 -0.949 20.157 191 HB THR 21 HB THR 21 97.928 1.258 19.308 192 HG1 THR 21 HG1 THR 21 95.456 0.132 18.519 193 HG21 THR 21 HG21 THR 21 97.301 1.776 16.911 194 HG22 THR 21 HG22 THR 21 97.220 0.037 16.636 195 HG23 THR 21 HG23 THR 21 98.748 0.788 17.095 196 H ARG 22 HN ARG 22 97.727 -2.039 16.841 197 HA ARG 22 HA ARG 22 94.958 -2.777 16.697 198 HB2 ARG 22 HB2 ARG 22 97.358 -3.071 14.968 199 HB3 ARG 22 HB1 ARG 22 96.054 -4.226 14.721 200 HG2 ARG 22 HG2 ARG 22 95.392 -1.308 14.946 201 HG3 ARG 22 HG1 ARG 22 96.048 -1.921 13.424 202 HD2 ARG 22 HD2 ARG 22 93.623 -3.065 14.848 203 HD3 ARG 22 HD1 ARG 22 93.561 -1.977 13.471 204 HE ARG 22 HE ARG 22 94.326 -4.793 13.433 205 HH11 ARG 22 HH11 ARG 22 94.537 -5.676 11.352 206 HH12 ARG 22 HH12 ARG 22 94.559 -4.630 9.972 207 HH21 ARG 22 HH21 ARG 22 94.217 -1.725 11.833 208 HH22 ARG 22 HH22 ARG 22 94.377 -2.394 10.245 209 H GLY 23 HN GLY 23 96.934 -3.855 18.815 210 HA2 GLY 23 HA2 GLY 23 96.804 -5.789 20.145 211 HA3 GLY 23 HA1 GLY 23 95.743 -6.497 18.931 212 H VAL 24 HN VAL 24 98.776 -5.118 17.960 213 HA VAL 24 HA VAL 24 99.759 -7.826 17.352 214 HB VAL 24 HB VAL 24 100.630 -5.193 16.153 215 HG11 VAL 24 HG11 VAL 24 101.380 -6.939 14.338 216 HG12 VAL 24 HG12 VAL 24 101.309 -8.082 15.676 217 HG13 VAL 24 HG13 VAL 24 102.382 -6.686 15.764 218 HG21 VAL 24 HG21 VAL 24 99.341 -6.554 14.163 219 HG22 VAL 24 HG22 VAL 24 98.563 -5.328 15.169 220 HG23 VAL 24 HG23 VAL 24 98.383 -7.037 15.565 221 H LYS 25 HN LYS 25 102.236 -7.953 17.295 222 HA LYS 25 HA LYS 25 103.420 -6.374 19.477 223 HB2 LYS 25 HB2 LYS 25 103.561 -9.370 19.122 224 HB3 LYS 25 HB1 LYS 25 104.601 -8.461 20.219 225 HG2 LYS 25 HG2 LYS 25 102.613 -7.603 21.401 226 HG3 LYS 25 HG1 LYS 25 101.569 -8.510 20.304 227 HD2 LYS 25 HD2 LYS 25 102.571 -10.619 21.063 228 HD3 LYS 25 HD1 LYS 25 103.657 -9.733 22.133 229 HE2 LYS 25 HE2 LYS 25 101.714 -8.832 23.362 230 HE3 LYS 25 HE1 LYS 25 100.628 -9.724 22.296 231 HZ1 LYS 25 HZ1 LYS 25 101.866 -11.769 23.018 232 HZ2 LYS 25 HZ2 LYS 25 100.906 -11.035 24.212 233 HZ3 LYS 25 HZ3 LYS 25 102.591 -10.822 24.223 234 H VAL 26 HN VAL 26 105.483 -5.701 19.122 235 HA VAL 26 HA VAL 26 106.817 -6.687 16.672 236 HB VAL 26 HB VAL 26 107.132 -3.876 17.711 237 HG11 VAL 26 HG11 VAL 26 107.939 -3.437 15.518 238 HG12 VAL 26 HG12 VAL 26 107.337 -4.976 14.908 239 HG13 VAL 26 HG13 VAL 26 108.705 -4.932 16.015 240 HG21 VAL 26 HG21 VAL 26 105.446 -3.504 15.675 241 HG22 VAL 26 HG22 VAL 26 104.855 -3.750 17.313 242 HG23 VAL 26 HG23 VAL 26 104.876 -5.093 16.170 243 H LYS 27 HN LYS 27 108.266 -8.060 17.580 244 HA LYS 27 HA LYS 27 109.906 -7.147 19.828 245 HB2 LYS 27 HB2 LYS 27 108.937 -9.548 19.545 246 HB3 LYS 27 HB1 LYS 27 110.258 -9.763 18.395 247 HG2 LYS 27 HG2 LYS 27 111.531 -8.598 20.549 248 HG3 LYS 27 HG1 LYS 27 110.315 -9.579 21.334 249 HD2 LYS 27 HD2 LYS 27 112.232 -10.592 19.208 250 HD3 LYS 27 HD1 LYS 27 112.456 -10.804 20.945 251 HE2 LYS 27 HE2 LYS 27 110.135 -11.884 20.973 252 HE3 LYS 27 HE1 LYS 27 110.250 -11.936 19.215 253 HZ1 LYS 27 HZ1 LYS 27 111.937 -13.305 21.211 254 HZ2 LYS 27 HZ2 LYS 27 112.491 -13.044 19.625 255 HZ3 LYS 27 HZ3 LYS 27 111.092 -13.969 19.898 256 H TYR 28 HN TYR 28 112.319 -7.492 19.662 257 HA TYR 28 HA TYR 28 113.470 -5.921 17.710 258 HB2 TYR 28 HB2 TYR 28 114.620 -6.511 19.787 259 HB3 TYR 28 HB1 TYR 28 114.721 -8.196 19.273 260 HD1 TYR 28 HD1 TYR 28 116.502 -8.937 17.910 261 HD2 TYR 28 HD2 TYR 28 115.723 -4.731 18.300 262 HE1 TYR 28 HE1 TYR 28 118.595 -8.435 16.678 263 HE2 TYR 28 HE2 TYR 28 117.815 -4.229 17.067 264 HH TYR 28 HH TYR 28 119.271 -5.808 15.200 265 H ALA 29 HN ALA 29 113.164 -9.464 17.797 266 HA ALA 29 HA ALA 29 114.504 -9.973 15.365 267 HB1 ALA 29 HB1 ALA 29 114.075 -12.127 15.841 268 HB2 ALA 29 HB2 ALA 29 112.342 -11.836 15.984 269 HB3 ALA 29 HB3 ALA 29 113.405 -11.523 17.356 270 H ASP 30 HN ASP 30 111.417 -8.702 16.071 271 HA ASP 30 HA ASP 30 110.018 -9.511 13.705 272 HB2 ASP 30 HB2 ASP 30 109.078 -8.534 15.922 273 HB3 ASP 30 HB1 ASP 30 109.413 -6.976 15.175 274 H LEU 31 HN LEU 31 111.821 -6.589 14.589 275 HA LEU 31 HA LEU 31 111.380 -5.200 12.126 276 HB2 LEU 31 HB2 LEU 31 113.445 -5.012 14.333 277 HB3 LEU 31 HB1 LEU 31 113.597 -4.038 12.870 278 HG LEU 31 HG LEU 31 111.069 -3.447 13.359 279 HD11 LEU 31 HD11 LEU 31 110.546 -3.429 15.741 280 HD12 LEU 31 HD12 LEU 31 112.128 -4.109 16.127 281 HD13 LEU 31 HD13 LEU 31 110.937 -5.079 15.266 282 HD21 LEU 31 HD21 LEU 31 111.879 -1.559 14.822 283 HD22 LEU 31 HD22 LEU 31 112.790 -1.768 13.327 284 HD23 LEU 31 HD23 LEU 31 113.458 -2.345 14.855 285 H LEU 32 HN LEU 32 113.925 -7.436 13.213 286 HA LEU 32 HA LEU 32 115.663 -7.153 11.036 287 HB2 LEU 32 HB2 LEU 32 115.051 -9.725 12.511 288 HB3 LEU 32 HB1 LEU 32 116.549 -9.319 11.667 289 HG LEU 32 HG LEU 32 115.455 -7.852 14.088 290 HD11 LEU 32 HD11 LEU 32 118.087 -9.109 14.296 291 HD12 LEU 32 HD12 LEU 32 116.814 -10.286 13.977 292 HD13 LEU 32 HD13 LEU 32 116.706 -9.226 15.384 293 HD21 LEU 32 HD21 LEU 32 117.684 -7.347 12.168 294 HD22 LEU 32 HD22 LEU 32 118.015 -7.049 13.872 295 HD23 LEU 32 HD23 LEU 32 116.693 -6.200 13.069 296 H LYS 33 HN LYS 33 112.882 -9.322 11.441 297 HA LYS 33 HA LYS 33 113.187 -10.526 8.864 298 HB2 LYS 33 HB2 LYS 33 112.063 -11.668 10.756 299 HB3 LYS 33 HB1 LYS 33 110.765 -10.478 10.679 300 HG2 LYS 33 HG2 LYS 33 110.231 -11.159 8.387 301 HG3 LYS 33 HG1 LYS 33 111.574 -12.301 8.396 302 HD2 LYS 33 HD2 LYS 33 110.520 -13.540 10.246 303 HD3 LYS 33 HD1 LYS 33 109.178 -12.394 10.255 304 HE2 LYS 33 HE2 LYS 33 108.643 -13.013 7.921 305 HE3 LYS 33 HE1 LYS 33 109.971 -14.173 7.927 306 HZ1 LYS 33 HZ1 LYS 33 108.789 -15.632 9.111 307 HZ2 LYS 33 HZ2 LYS 33 107.432 -14.727 8.636 308 HZ3 LYS 33 HZ3 LYS 33 108.156 -14.448 10.147 309 H PHE 34 HN PHE 34 110.851 -8.193 10.205 310 HA PHE 34 HA PHE 34 109.450 -7.763 7.801 311 HB2 PHE 34 HB2 PHE 34 108.720 -7.108 10.141 312 HB3 PHE 34 HB1 PHE 34 109.809 -5.728 10.003 313 HD1 PHE 34 HD1 PHE 34 109.247 -3.821 8.673 314 HD2 PHE 34 HD2 PHE 34 106.826 -7.366 8.508 315 HE1 PHE 34 HE1 PHE 34 107.521 -2.586 7.396 316 HE2 PHE 34 HE2 PHE 34 105.099 -6.127 7.230 317 HZ PHE 34 HZ PHE 34 105.447 -3.735 6.674 318 H PHE 35 HN PHE 35 112.315 -6.252 9.137 319 HA PHE 35 HA PHE 35 112.419 -4.094 7.230 320 HB2 PHE 35 HB2 PHE 35 113.532 -4.256 9.568 321 HB3 PHE 35 HB1 PHE 35 114.826 -5.101 8.721 322 HD1 PHE 35 HD1 PHE 35 113.582 -1.968 9.757 323 HD2 PHE 35 HD2 PHE 35 115.578 -3.885 6.456 324 HE1 PHE 35 HE1 PHE 35 114.450 0.234 8.966 325 HE2 PHE 35 HE2 PHE 35 116.421 -1.693 5.679 326 HZ PHE 35 HZ PHE 35 115.858 0.368 6.935 327 H ASP 36 HN ASP 36 114.098 -7.205 7.626 328 HA ASP 36 HA ASP 36 115.674 -6.945 5.246 329 HB2 ASP 36 HB2 ASP 36 114.979 -9.337 6.946 330 HB3 ASP 36 HB1 ASP 36 116.074 -9.409 5.570 331 H PHE 37 HN PHE 37 112.436 -7.925 5.895 332 HA PHE 37 HA PHE 37 112.006 -9.638 3.685 333 HB2 PHE 37 HB2 PHE 37 110.396 -8.335 5.734 334 HB3 PHE 37 HB1 PHE 37 109.576 -8.373 4.184 335 HD1 PHE 37 HD1 PHE 37 108.042 -10.140 4.185 336 HD2 PHE 37 HD2 PHE 37 111.975 -10.761 5.797 337 HE1 PHE 37 HE1 PHE 37 107.535 -12.545 4.501 338 HE2 PHE 37 HE2 PHE 37 111.466 -13.164 6.116 339 HZ PHE 37 HZ PHE 37 109.246 -14.058 5.466 340 H VAL 38 HN VAL 38 111.023 -6.233 4.128 341 HA VAL 38 HA VAL 38 110.347 -5.900 1.363 342 HB VAL 38 HB VAL 38 110.456 -3.403 2.049 343 HG11 VAL 38 HG11 VAL 38 108.428 -3.998 3.737 344 HG12 VAL 38 HG12 VAL 38 108.623 -5.564 2.950 345 HG13 VAL 38 HG13 VAL 38 108.281 -4.131 1.985 346 HG21 VAL 38 HG21 VAL 38 111.878 -4.367 4.155 347 HG22 VAL 38 HG22 VAL 38 110.262 -4.344 4.849 348 HG23 VAL 38 HG23 VAL 38 110.965 -2.864 4.210 349 H LYS 39 HN LYS 39 113.206 -5.168 3.298 350 HA LYS 39 HA LYS 39 114.619 -3.609 1.438 351 HB2 LYS 39 HB2 LYS 39 115.280 -3.984 3.823 352 HB3 LYS 39 HB1 LYS 39 115.796 -5.608 3.379 353 HG2 LYS 39 HG2 LYS 39 117.407 -4.699 1.779 354 HG3 LYS 39 HG1 LYS 39 116.864 -3.061 2.142 355 HD2 LYS 39 HD2 LYS 39 117.583 -3.327 4.479 356 HD3 LYS 39 HD1 LYS 39 118.110 -4.974 4.138 357 HE2 LYS 39 HE2 LYS 39 120.090 -3.684 3.972 358 HE3 LYS 39 HE1 LYS 39 119.585 -3.926 2.299 359 HZ1 LYS 39 HZ1 LYS 39 118.660 -1.568 3.801 360 HZ2 LYS 39 HZ2 LYS 39 118.824 -1.774 2.122 361 HZ3 LYS 39 HZ3 LYS 39 120.202 -1.571 3.096 362 H ASP 40 HN ASP 40 114.138 -7.078 1.640 363 HA ASP 40 HA ASP 40 116.143 -8.123 0.106 364 HB2 ASP 40 HB2 ASP 40 114.296 -9.451 1.080 365 HB3 ASP 40 HB1 ASP 40 113.204 -8.812 -0.147 366 H THR 41 HN THR 41 113.034 -7.003 -1.264 367 HA THR 41 HA THR 41 114.450 -6.493 -3.808 368 HB THR 41 HB THR 41 112.123 -6.654 -4.804 369 HG1 THR 41 HG1 THR 41 110.540 -7.441 -3.550 370 HG21 THR 41 HG21 THR 41 112.102 -9.250 -4.342 371 HG22 THR 41 HG22 THR 41 113.635 -8.911 -3.537 372 HG23 THR 41 HG23 THR 41 113.432 -8.524 -5.246 373 H CYS 42 HN CYS 42 113.266 -4.947 -1.160 374 HA CYS 42 HA CYS 42 112.316 -2.853 -0.766 375 HB2 CYS 42 HB2 CYS 42 114.763 -2.510 -1.265 376 HB3 CYS 42 HB1 CYS 42 114.292 -2.078 -2.909 377 HG CYS 42 HG CYS 42 112.978 -0.036 -1.962 378 HA PRO 43 HA PRO 43 109.730 -2.910 -4.659 379 HB2 PRO 43 HB2 PRO 43 107.502 -3.360 -2.799 380 HB3 PRO 43 HB1 PRO 43 107.983 -4.307 -4.219 381 HG2 PRO 43 HG2 PRO 43 108.285 -5.213 -1.712 382 HG3 PRO 43 HG1 PRO 43 109.389 -5.643 -3.020 383 HD2 PRO 43 HD2 PRO 43 109.777 -3.658 -0.800 384 HD3 PRO 43 HD1 PRO 43 110.919 -4.806 -1.529 385 H TRP 44 HN TRP 44 109.675 -1.305 -1.604 386 HA TRP 44 HA TRP 44 107.640 0.613 -2.179 387 HB2 TRP 44 HB2 TRP 44 109.584 0.105 -0.044 388 HB3 TRP 44 HB1 TRP 44 109.274 1.815 -0.316 389 HD1 TRP 44 HD1 TRP 44 107.119 2.777 0.647 390 HE1 TRP 44 HE1 TRP 44 105.005 1.789 1.735 391 HE3 TRP 44 HE3 TRP 44 107.953 -2.195 -0.161 392 HZ2 TRP 44 HZ2 TRP 44 103.823 -0.774 2.199 393 HZ3 TRP 44 HZ3 TRP 44 106.318 -3.886 0.614 394 HH2 TRP 44 HH2 TRP 44 104.250 -3.183 1.791 395 H PHE 45 HN PHE 45 109.903 0.209 -4.153 396 HA PHE 45 HA PHE 45 111.132 1.481 -5.571 397 HB2 PHE 45 HB2 PHE 45 108.983 3.261 -4.695 398 HB3 PHE 45 HB1 PHE 45 110.359 4.014 -5.494 399 HD1 PHE 45 HD1 PHE 45 111.238 2.740 -7.654 400 HD2 PHE 45 HD2 PHE 45 107.282 2.386 -6.028 401 HE1 PHE 45 HE1 PHE 45 110.406 1.947 -9.852 402 HE2 PHE 45 HE2 PHE 45 106.446 1.597 -8.223 403 HZ PHE 45 HZ PHE 45 108.010 1.380 -10.137 404 HA PRO 46 HA PRO 46 114.017 2.831 -2.271 405 HB2 PRO 46 HB2 PRO 46 116.283 2.230 -3.699 406 HB3 PRO 46 HB1 PRO 46 115.385 1.055 -2.723 407 HG2 PRO 46 HG2 PRO 46 115.354 1.490 -5.660 408 HG3 PRO 46 HG1 PRO 46 115.273 -0.017 -4.734 409 HD2 PRO 46 HD2 PRO 46 113.116 1.147 -5.881 410 HD3 PRO 46 HD1 PRO 46 113.003 0.152 -4.425 411 H GLN 47 HN GLN 47 113.332 3.986 -5.371 412 HA GLN 47 HA GLN 47 115.394 6.051 -5.406 413 HB2 GLN 47 HB2 GLN 47 113.021 5.515 -7.211 414 HB3 GLN 47 HB1 GLN 47 114.211 6.788 -7.477 415 HG2 GLN 47 HG2 GLN 47 116.008 5.099 -7.567 416 HG3 GLN 47 HG1 GLN 47 114.821 3.823 -7.309 417 HE21 GLN 47 HE21 GLN 47 115.983 3.278 -9.574 418 HE22 GLN 47 HE22 GLN 47 115.160 3.858 -10.940 419 H GLU 48 HN GLU 48 111.819 6.048 -5.431 420 HA GLU 48 HA GLU 48 111.835 8.786 -4.353 421 HB2 GLU 48 HB2 GLU 48 109.310 8.517 -4.711 422 HB3 GLU 48 HB1 GLU 48 110.320 8.564 -6.148 423 HG2 GLU 48 HG2 GLU 48 110.268 6.161 -6.350 424 HG3 GLU 48 HG1 GLU 48 109.434 6.008 -4.801 425 H GLY 49 HN GLY 49 111.339 5.524 -3.356 426 HA2 GLY 49 HA2 GLY 49 110.782 4.583 -1.324 427 HA3 GLY 49 HA1 GLY 49 111.243 6.122 -0.607 428 H THR 50 HN THR 50 108.577 4.483 -2.294 429 HA THR 50 HA THR 50 106.678 5.968 -0.601 430 HB THR 50 HB THR 50 106.838 7.117 -2.810 431 HG1 THR 50 HG1 THR 50 104.735 7.383 -2.828 432 HG21 THR 50 HG21 THR 50 106.095 5.974 -4.820 433 HG22 THR 50 HG22 THR 50 105.738 4.505 -3.905 434 HG23 THR 50 HG23 THR 50 107.417 5.043 -4.106 435 H ILE 51 HN ILE 51 104.436 5.003 -0.810 436 HA ILE 51 HA ILE 51 104.674 2.097 -0.674 437 HB ILE 51 HB ILE 51 102.135 3.584 -0.152 438 HG12 ILE 51 HG12 ILE 51 104.633 3.577 1.540 439 HG13 ILE 51 HG11 ILE 51 103.614 4.951 1.086 440 HG21 ILE 51 HG21 ILE 51 103.304 1.409 1.536 441 HG22 ILE 51 HG22 ILE 51 102.651 0.982 -0.042 442 HG23 ILE 51 HG23 ILE 51 101.622 1.747 1.167 443 HD11 ILE 51 HD11 ILE 51 103.046 4.513 3.334 444 HD12 ILE 51 HD12 ILE 51 103.024 2.772 3.074 445 HD13 ILE 51 HD13 ILE 51 101.750 3.782 2.391 446 H ASP 52 HN ASP 52 103.590 0.667 -2.010 447 HA ASP 52 HA ASP 52 101.920 1.800 -4.147 448 HB2 ASP 52 HB2 ASP 52 104.382 0.095 -4.429 449 HB3 ASP 52 HB1 ASP 52 103.106 0.046 -5.649 450 H ILE 53 HN ILE 53 100.055 0.790 -4.217 451 HA ILE 53 HA ILE 53 99.546 -1.588 -2.707 452 HB ILE 53 HB ILE 53 97.781 -0.295 -4.799 453 HG12 ILE 53 HG12 ILE 53 98.451 1.370 -3.132 454 HG13 ILE 53 HG11 ILE 53 96.775 0.916 -2.842 455 HG21 ILE 53 HG21 ILE 53 97.174 -2.061 -2.403 456 HG22 ILE 53 HG22 ILE 53 97.086 -2.554 -4.094 457 HG23 ILE 53 HG23 ILE 53 95.967 -1.342 -3.472 458 HD11 ILE 53 HD11 ILE 53 97.869 -0.891 -1.230 459 HD12 ILE 53 HD12 ILE 53 97.662 0.763 -0.685 460 HD13 ILE 53 HD13 ILE 53 99.235 0.216 -1.265 461 H LYS 54 HN LYS 54 99.993 -0.882 -6.124 462 HA LYS 54 HA LYS 54 99.252 -3.450 -7.081 463 HB2 LYS 54 HB2 LYS 54 99.378 -1.410 -8.503 464 HB3 LYS 54 HB1 LYS 54 101.137 -1.453 -8.355 465 HG2 LYS 54 HG2 LYS 54 101.188 -3.679 -9.390 466 HG3 LYS 54 HG1 LYS 54 99.428 -3.683 -9.497 467 HD2 LYS 54 HD2 LYS 54 99.519 -1.684 -10.953 468 HD3 LYS 54 HD1 LYS 54 101.280 -1.709 -10.864 469 HE2 LYS 54 HE2 LYS 54 101.281 -3.986 -11.857 470 HE3 LYS 54 HE1 LYS 54 99.524 -3.907 -11.994 471 HZ1 LYS 54 HZ1 LYS 54 101.080 -3.199 -13.965 472 HZ2 LYS 54 HZ2 LYS 54 101.094 -1.717 -13.134 473 HZ3 LYS 54 HZ3 LYS 54 99.623 -2.385 -13.661 474 H ARG 55 HN ARG 55 102.464 -1.984 -6.577 475 HA ARG 55 HA ARG 55 103.933 -4.321 -7.164 476 HB2 ARG 55 HB2 ARG 55 104.588 -1.817 -5.646 477 HB3 ARG 55 HB1 ARG 55 105.753 -3.124 -5.799 478 HG2 ARG 55 HG2 ARG 55 105.527 -2.993 -8.268 479 HG3 ARG 55 HG1 ARG 55 104.403 -1.647 -8.082 480 HD2 ARG 55 HD2 ARG 55 106.152 -0.341 -6.936 481 HD3 ARG 55 HD1 ARG 55 107.274 -1.684 -7.107 482 HE ARG 55 HE ARG 55 106.374 0.111 -9.233 483 HH11 ARG 55 HH11 ARG 55 107.558 -0.068 -11.162 484 HH12 ARG 55 HH12 ARG 55 108.661 -1.386 -11.376 485 HH21 ARG 55 HH21 ARG 55 108.013 -2.782 -8.270 486 HH22 ARG 55 HH22 ARG 55 108.918 -2.921 -9.737 487 H TRP 56 HN TRP 56 102.498 -3.102 -4.205 488 HA TRP 56 HA TRP 56 103.758 -4.707 -2.331 489 HB2 TRP 56 HB2 TRP 56 102.335 -2.998 -1.522 490 HB3 TRP 56 HB1 TRP 56 100.962 -3.606 -2.446 491 HD1 TRP 56 HD1 TRP 56 99.296 -4.803 -0.969 492 HE1 TRP 56 HE1 TRP 56 99.409 -6.291 1.133 493 HE3 TRP 56 HE3 TRP 56 104.345 -4.844 -0.177 494 HZ2 TRP 56 HZ2 TRP 56 101.381 -7.358 2.910 495 HZ3 TRP 56 HZ3 TRP 56 105.311 -6.102 1.713 496 HH2 TRP 56 HH2 TRP 56 103.843 -7.362 3.254 497 H ARG 57 HN ARG 57 101.054 -5.418 -4.459 498 HA ARG 57 HA ARG 57 100.413 -7.966 -3.361 499 HB2 ARG 57 HB2 ARG 57 99.931 -6.823 -6.130 500 HB3 ARG 57 HB1 ARG 57 99.250 -8.336 -5.539 501 HG2 ARG 57 HG2 ARG 57 98.122 -7.154 -3.708 502 HG3 ARG 57 HG1 ARG 57 98.837 -5.637 -4.234 503 HD2 ARG 57 HD2 ARG 57 96.541 -5.822 -5.075 504 HD3 ARG 57 HD1 ARG 57 97.688 -5.842 -6.412 505 HE ARG 57 HE ARG 57 97.090 -8.495 -5.523 506 HH11 ARG 57 HH11 ARG 57 95.771 -9.758 -6.874 507 HH12 ARG 57 HH12 ARG 57 94.810 -8.996 -8.097 508 HH21 ARG 57 HH21 ARG 57 95.878 -5.791 -7.313 509 HH22 ARG 57 HH22 ARG 57 94.871 -6.750 -8.346 510 H ARG 58 HN ARG 58 102.595 -6.887 -5.935 511 HA ARG 58 HA ARG 58 103.277 -9.413 -6.976 512 HB2 ARG 58 HB2 ARG 58 104.828 -6.828 -6.787 513 HB3 ARG 58 HB1 ARG 58 105.440 -8.242 -7.624 514 HG2 ARG 58 HG2 ARG 58 102.670 -7.277 -8.254 515 HG3 ARG 58 HG1 ARG 58 104.042 -6.399 -8.930 516 HD2 ARG 58 HD2 ARG 58 104.915 -8.577 -9.827 517 HD3 ARG 58 HD1 ARG 58 103.437 -9.351 -9.269 518 HE ARG 58 HE ARG 58 103.053 -7.060 -11.017 519 HH11 ARG 58 HH11 ARG 58 102.037 -7.542 -12.991 520 HH12 ARG 58 HH12 ARG 58 101.864 -9.192 -13.490 521 HH21 ARG 58 HH21 ARG 58 103.423 -10.483 -10.674 522 HH22 ARG 58 HH22 ARG 58 102.650 -10.857 -12.178 523 H VAL 59 HN VAL 59 104.938 -7.487 -4.481 524 HA VAL 59 HA VAL 59 106.896 -9.457 -3.863 525 HB VAL 59 HB VAL 59 107.279 -7.176 -3.197 526 HG11 VAL 59 HG11 VAL 59 104.846 -7.423 -1.403 527 HG12 VAL 59 HG12 VAL 59 104.850 -6.607 -2.962 528 HG13 VAL 59 HG13 VAL 59 105.838 -5.990 -1.649 529 HG21 VAL 59 HG21 VAL 59 108.231 -7.683 -1.183 530 HG22 VAL 59 HG22 VAL 59 107.676 -9.314 -1.557 531 HG23 VAL 59 HG23 VAL 59 106.711 -8.274 -0.500 532 H GLY 60 HN GLY 60 103.721 -8.711 -2.467 533 HA2 GLY 60 HA2 GLY 60 103.792 -10.518 -0.312 534 HA3 GLY 60 HA1 GLY 60 102.327 -9.939 -1.100 535 H ASP 61 HN ASP 61 102.670 -10.945 -3.661 536 HA ASP 61 HA ASP 61 101.880 -13.670 -3.300 537 HB2 ASP 61 HB2 ASP 61 102.285 -11.853 -5.652 538 HB3 ASP 61 HB1 ASP 61 102.114 -13.586 -5.919 539 H CYS 62 HN CYS 62 104.824 -12.064 -4.360 540 HA CYS 62 HA CYS 62 106.163 -14.351 -5.341 541 HB2 CYS 62 HB2 CYS 62 107.207 -11.755 -4.195 542 HB3 CYS 62 HB1 CYS 62 108.237 -12.980 -4.935 543 HG CYS 62 HG CYS 62 107.329 -12.411 -7.209 544 H PHE 63 HN PHE 63 105.950 -12.905 -2.118 545 HA PHE 63 HA PHE 63 107.839 -14.763 -0.967 546 HB2 PHE 63 HB2 PHE 63 106.119 -12.538 0.050 547 HB3 PHE 63 HB1 PHE 63 106.754 -13.719 1.197 548 HD1 PHE 63 HD1 PHE 63 108.678 -12.957 2.270 549 HD2 PHE 63 HD2 PHE 63 108.099 -12.038 -1.887 550 HE1 PHE 63 HE1 PHE 63 110.881 -11.825 2.212 551 HE2 PHE 63 HE2 PHE 63 110.303 -10.907 -1.944 552 HZ PHE 63 HZ PHE 63 111.695 -10.800 0.106 553 H GLN 64 HN GLN 64 104.329 -14.320 -0.962 554 HA GLN 64 HA GLN 64 103.724 -16.447 0.796 555 HB2 GLN 64 HB2 GLN 64 102.165 -14.580 0.061 556 HB3 GLN 64 HB1 GLN 64 101.950 -15.479 -1.442 557 HG2 GLN 64 HG2 GLN 64 100.158 -16.135 0.019 558 HG3 GLN 64 HG1 GLN 64 101.297 -17.479 -0.031 559 HE21 GLN 64 HE21 GLN 64 100.712 -18.248 2.116 560 HE22 GLN 64 HE22 GLN 64 101.129 -17.381 3.513 561 H ASP 65 HN ASP 65 104.156 -16.298 -2.696 562 HA ASP 65 HA ASP 65 103.251 -18.912 -3.289 563 HB2 ASP 65 HB2 ASP 65 103.552 -17.202 -5.020 564 HB3 ASP 65 HB1 ASP 65 105.288 -17.198 -4.715 565 H TYR 66 HN TYR 66 106.561 -17.645 -2.835 566 HA TYR 66 HA TYR 66 107.831 -20.173 -2.999 567 HB2 TYR 66 HB2 TYR 66 108.606 -17.439 -2.165 568 HB3 TYR 66 HB1 TYR 66 109.601 -18.762 -1.560 569 HD1 TYR 66 HD1 TYR 66 110.168 -20.625 -3.398 570 HD2 TYR 66 HD2 TYR 66 109.150 -16.540 -4.253 571 HE1 TYR 66 HE1 TYR 66 111.279 -20.807 -5.607 572 HE2 TYR 66 HE2 TYR 66 110.258 -16.723 -6.460 573 HH TYR 66 HH TYR 66 110.822 -19.232 -8.030 574 H TYR 67 HN TYR 67 106.576 -18.285 -0.299 575 HA TYR 67 HA TYR 67 107.610 -19.923 1.769 576 HB2 TYR 67 HB2 TYR 67 106.761 -17.616 2.127 577 HB3 TYR 67 HB1 TYR 67 105.130 -18.186 1.805 578 HD1 TYR 67 HD1 TYR 67 108.099 -19.039 3.938 579 HD2 TYR 67 HD2 TYR 67 103.819 -18.855 3.618 580 HE1 TYR 67 HE1 TYR 67 107.891 -19.760 6.301 581 HE2 TYR 67 HE2 TYR 67 103.613 -19.578 5.977 582 HH TYR 67 HH TYR 67 104.869 -19.661 7.993 583 H ASN 68 HN ASN 68 104.589 -19.971 -0.063 584 HA ASN 68 HA ASN 68 103.239 -21.898 1.479 585 HB2 ASN 68 HB2 ASN 68 103.019 -20.969 -1.370 586 HB3 ASN 68 HB1 ASN 68 102.062 -22.339 -0.809 587 HD21 ASN 68 HD21 ASN 68 102.738 -20.089 1.701 588 HD22 ASN 68 HD22 ASN 68 101.242 -19.288 1.688 589 H THR 69 HN THR 69 105.406 -22.221 -1.307 590 HA THR 69 HA THR 69 105.133 -24.900 -1.895 591 HB THR 69 HB THR 69 107.464 -24.841 -2.681 592 HG1 THR 69 HG1 THR 69 108.547 -23.754 -1.152 593 HG21 THR 69 HG21 THR 69 107.046 -22.251 -3.637 594 HG22 THR 69 HG22 THR 69 105.426 -22.857 -3.303 595 HG23 THR 69 HG23 THR 69 106.494 -23.743 -4.390 596 H PHE 70 HN PHE 70 106.570 -23.467 0.918 597 HA PHE 70 HA PHE 70 107.864 -25.917 1.752 598 HB2 PHE 70 HB2 PHE 70 107.471 -23.218 3.049 599 HB3 PHE 70 HB1 PHE 70 108.222 -24.568 3.898 600 HD1 PHE 70 HD1 PHE 70 110.310 -25.617 2.971 601 HD2 PHE 70 HD2 PHE 70 108.652 -21.993 1.373 602 HE1 PHE 70 HE1 PHE 70 112.465 -25.127 1.844 603 HE2 PHE 70 HE2 PHE 70 110.806 -21.503 0.242 604 HZ PHE 70 HZ PHE 70 112.713 -23.071 0.479 605 H GLY 71 HN GLY 71 104.804 -25.464 1.392 606 HA2 GLY 71 HA2 GLY 71 102.838 -25.939 2.539 607 HA3 GLY 71 HA1 GLY 71 103.750 -27.382 2.971 608 HA PRO 72 HA PRO 72 104.456 -24.527 6.706 609 HB2 PRO 72 HB2 PRO 72 103.657 -21.922 6.592 610 HB3 PRO 72 HB1 PRO 72 105.234 -22.478 5.997 611 HG2 PRO 72 HG2 PRO 72 102.797 -21.743 4.487 612 HG3 PRO 72 HG1 PRO 72 104.498 -21.581 4.048 613 HD2 PRO 72 HD2 PRO 72 102.795 -23.581 3.114 614 HD3 PRO 72 HD1 PRO 72 104.565 -23.606 3.058 615 H GLU 73 HN GLU 73 103.137 -24.910 8.395 616 HA GLU 73 HA GLU 73 100.245 -24.839 7.997 617 HB2 GLU 73 HB2 GLU 73 101.282 -26.807 9.070 618 HB3 GLU 73 HB1 GLU 73 101.870 -25.774 10.373 619 HG2 GLU 73 HG2 GLU 73 99.578 -25.179 10.984 620 HG3 GLU 73 HG1 GLU 73 98.952 -26.115 9.628 621 H LYS 74 HN LYS 74 102.754 -23.064 9.618 622 HA LYS 74 HA LYS 74 101.130 -21.728 11.532 623 HB2 LYS 74 HB2 LYS 74 103.760 -20.936 10.251 624 HB3 LYS 74 HB1 LYS 74 103.041 -20.111 11.627 625 HG2 LYS 74 HG2 LYS 74 104.372 -21.586 12.790 626 HG3 LYS 74 HG1 LYS 74 102.970 -22.624 12.597 627 HD2 LYS 74 HD2 LYS 74 103.932 -23.704 10.670 628 HD3 LYS 74 HD1 LYS 74 105.276 -22.569 10.636 629 HE2 LYS 74 HE2 LYS 74 106.019 -23.376 12.837 630 HE3 LYS 74 HE1 LYS 74 104.672 -24.513 12.878 631 HZ1 LYS 74 HZ1 LYS 74 106.955 -25.311 12.041 632 HZ2 LYS 74 HZ2 LYS 74 106.543 -24.506 10.603 633 HZ3 LYS 74 HZ3 LYS 74 105.567 -25.770 11.183 634 H VAL 75 HN VAL 75 102.280 -20.777 8.303 635 HA VAL 75 HA VAL 75 101.754 -18.795 7.150 636 HB VAL 75 HB VAL 75 99.144 -20.249 7.481 637 HG11 VAL 75 HG11 VAL 75 99.189 -19.003 5.007 638 HG12 VAL 75 HG12 VAL 75 99.882 -17.788 6.079 639 HG13 VAL 75 HG13 VAL 75 98.284 -18.454 6.417 640 HG21 VAL 75 HG21 VAL 75 99.778 -21.483 5.566 641 HG22 VAL 75 HG22 VAL 75 101.275 -21.388 6.497 642 HG23 VAL 75 HG23 VAL 75 101.027 -20.316 5.119 643 HA PRO 76 HA PRO 76 100.362 -16.381 10.887 644 HB2 PRO 76 HB2 PRO 76 102.117 -14.422 9.481 645 HB3 PRO 76 HB1 PRO 76 102.062 -14.854 11.200 646 HG2 PRO 76 HG2 PRO 76 104.039 -15.690 9.636 647 HG3 PRO 76 HG1 PRO 76 103.367 -16.730 10.906 648 HD2 PRO 76 HD2 PRO 76 102.938 -16.840 7.949 649 HD3 PRO 76 HD1 PRO 76 103.058 -18.182 9.119 650 H VAL 77 HN VAL 77 98.459 -15.376 10.759 651 HA VAL 77 HA VAL 77 97.469 -14.380 8.218 652 HB VAL 77 HB VAL 77 96.204 -14.493 10.963 653 HG11 VAL 77 HG11 VAL 77 94.086 -14.112 9.575 654 HG12 VAL 77 HG12 VAL 77 95.160 -13.574 8.284 655 HG13 VAL 77 HG13 VAL 77 95.128 -12.713 9.822 656 HG21 VAL 77 HG21 VAL 77 95.373 -16.553 10.346 657 HG22 VAL 77 HG22 VAL 77 96.755 -16.573 9.242 658 HG23 VAL 77 HG23 VAL 77 95.164 -16.063 8.664 659 H THR 78 HN THR 78 99.006 -13.097 10.991 660 HA THR 78 HA THR 78 98.048 -10.556 11.307 661 HB THR 78 HB THR 78 100.326 -9.885 11.925 662 HG1 THR 78 HG1 THR 78 100.984 -11.586 10.057 663 HG21 THR 78 HG21 THR 78 99.400 -11.090 13.682 664 HG22 THR 78 HG22 THR 78 100.840 -12.049 13.347 665 HG23 THR 78 HG23 THR 78 99.274 -12.572 12.737 666 H ALA 79 HN ALA 79 99.718 -11.860 8.544 667 HA ALA 79 HA ALA 79 100.628 -9.529 7.308 668 HB1 ALA 79 HB1 ALA 79 99.940 -10.990 5.165 669 HB2 ALA 79 HB2 ALA 79 99.847 -12.249 6.400 670 HB3 ALA 79 HB3 ALA 79 101.354 -11.364 6.151 671 H PHE 80 HN PHE 80 97.415 -10.717 7.755 672 HA PHE 80 HA PHE 80 96.137 -9.333 5.632 673 HB2 PHE 80 HB2 PHE 80 95.161 -11.250 6.956 674 HB3 PHE 80 HB1 PHE 80 94.898 -10.114 8.274 675 HD1 PHE 80 HD1 PHE 80 92.841 -9.020 8.377 676 HD2 PHE 80 HD2 PHE 80 94.321 -10.359 4.571 677 HE1 PHE 80 HE1 PHE 80 90.752 -8.246 7.291 678 HE2 PHE 80 HE2 PHE 80 92.231 -9.582 3.487 679 HZ PHE 80 HZ PHE 80 90.447 -8.526 4.846 680 H SER 81 HN SER 81 96.935 -8.489 8.972 681 HA SER 81 HA SER 81 95.428 -6.113 9.139 682 HB2 SER 81 HB2 SER 81 98.026 -6.819 10.522 683 HB3 SER 81 HB1 SER 81 96.912 -5.544 11.005 684 HG SER 81 HG SER 81 95.305 -7.285 11.129 685 H TYR 82 HN TYR 82 98.702 -6.781 7.975 686 HA TYR 82 HA TYR 82 99.559 -4.122 7.654 687 HB2 TYR 82 HB2 TYR 82 100.326 -6.739 6.414 688 HB3 TYR 82 HB1 TYR 82 100.991 -5.244 5.762 689 HD1 TYR 82 HD1 TYR 82 102.586 -3.932 6.991 690 HD2 TYR 82 HD2 TYR 82 100.743 -7.377 8.782 691 HE1 TYR 82 HE1 TYR 82 104.226 -3.848 8.860 692 HE2 TYR 82 HE2 TYR 82 102.377 -7.290 10.647 693 HH TYR 82 HH TYR 82 105.195 -5.690 10.542 694 H TRP 83 HN TRP 83 98.005 -6.340 5.336 695 HA TRP 83 HA TRP 83 97.967 -4.637 3.125 696 HB2 TRP 83 HB2 TRP 83 97.363 -6.970 2.903 697 HB3 TRP 83 HB1 TRP 83 95.980 -6.756 3.975 698 HD1 TRP 83 HD1 TRP 83 97.256 -5.089 0.714 699 HE1 TRP 83 HE1 TRP 83 95.224 -4.684 -0.820 700 HE3 TRP 83 HE3 TRP 83 93.525 -6.892 3.698 701 HZ2 TRP 83 HZ2 TRP 83 92.390 -5.074 -0.786 702 HZ3 TRP 83 HZ3 TRP 83 91.171 -6.864 2.924 703 HH2 TRP 83 HH2 TRP 83 90.599 -5.959 0.688 704 H ASN 84 HN ASN 84 95.472 -5.073 5.631 705 HA ASN 84 HA ASN 84 93.714 -3.108 4.598 706 HB2 ASN 84 HB2 ASN 84 94.015 -4.435 7.286 707 HB3 ASN 84 HB1 ASN 84 92.825 -3.160 7.028 708 HD21 ASN 84 HD21 ASN 84 92.026 -5.851 7.630 709 HD22 ASN 84 HD22 ASN 84 91.252 -6.491 6.262 710 H LEU 85 HN LEU 85 96.310 -2.966 7.019 711 HA LEU 85 HA LEU 85 95.774 -0.336 7.871 712 HB2 LEU 85 HB2 LEU 85 97.119 -1.891 9.203 713 HB3 LEU 85 HB1 LEU 85 98.348 -1.926 7.941 714 HG LEU 85 HG LEU 85 98.688 0.512 8.219 715 HD11 LEU 85 HD11 LEU 85 96.439 0.123 10.161 716 HD12 LEU 85 HD12 LEU 85 96.713 1.437 9.017 717 HD13 LEU 85 HD13 LEU 85 97.651 1.355 10.504 718 HD21 LEU 85 HD21 LEU 85 100.051 -1.108 9.517 719 HD22 LEU 85 HD22 LEU 85 98.868 -1.034 10.823 720 HD23 LEU 85 HD23 LEU 85 99.806 0.396 10.405 721 H ILE 86 HN ILE 86 98.511 -1.507 5.905 722 HA ILE 86 HA ILE 86 99.446 0.947 5.052 723 HB ILE 86 HB ILE 86 99.698 -1.830 4.136 724 HG12 ILE 86 HG12 ILE 86 101.753 0.385 4.069 725 HG13 ILE 86 HG11 ILE 86 101.269 -0.363 5.598 726 HG21 ILE 86 HG21 ILE 86 100.847 -1.013 2.010 727 HG22 ILE 86 HG22 ILE 86 100.025 0.513 2.251 728 HG23 ILE 86 HG23 ILE 86 99.085 -0.956 1.987 729 HD11 ILE 86 HD11 ILE 86 102.134 -2.018 3.228 730 HD12 ILE 86 HD12 ILE 86 102.025 -2.505 4.920 731 HD13 ILE 86 HD13 ILE 86 103.293 -1.392 4.403 732 H LYS 87 HN LYS 87 96.784 -0.978 3.815 733 HA LYS 87 HA LYS 87 96.367 0.289 1.364 734 HB2 LYS 87 HB2 LYS 87 95.025 -1.577 1.619 735 HB3 LYS 87 HB1 LYS 87 94.622 -1.193 3.293 736 HG2 LYS 87 HG2 LYS 87 93.082 0.521 2.634 737 HG3 LYS 87 HG1 LYS 87 93.657 0.472 0.959 738 HD2 LYS 87 HD2 LYS 87 92.805 -1.853 0.773 739 HD3 LYS 87 HD1 LYS 87 92.201 -1.748 2.427 740 HE2 LYS 87 HE2 LYS 87 90.728 0.106 1.802 741 HE3 LYS 87 HE1 LYS 87 91.372 0.089 0.161 742 HZ1 LYS 87 HZ1 LYS 87 89.572 -1.223 -0.148 743 HZ2 LYS 87 HZ2 LYS 87 89.538 -1.771 1.461 744 HZ3 LYS 87 HZ3 LYS 87 90.651 -2.429 0.360 745 H GLU 88 HN GLU 88 95.174 1.174 4.623 746 HA GLU 88 HA GLU 88 93.757 3.455 3.567 747 HB2 GLU 88 HB2 GLU 88 92.762 3.577 5.634 748 HB3 GLU 88 HB1 GLU 88 93.252 1.893 5.656 749 HG2 GLU 88 HG2 GLU 88 94.102 2.607 7.691 750 HG3 GLU 88 HG1 GLU 88 95.484 2.827 6.657 751 H LEU 89 HN LEU 89 96.897 2.751 4.758 752 HA LEU 89 HA LEU 89 97.584 5.189 5.922 753 HB2 LEU 89 HB2 LEU 89 98.874 2.897 5.670 754 HB3 LEU 89 HB1 LEU 89 99.612 3.705 4.303 755 HG LEU 89 HG LEU 89 100.989 4.104 6.264 756 HD11 LEU 89 HD11 LEU 89 99.431 6.649 5.944 757 HD12 LEU 89 HD12 LEU 89 100.365 5.994 4.591 758 HD13 LEU 89 HD13 LEU 89 101.169 6.429 6.086 759 HD21 LEU 89 HD21 LEU 89 100.140 4.479 8.343 760 HD22 LEU 89 HD22 LEU 89 98.600 3.962 7.662 761 HD23 LEU 89 HD23 LEU 89 98.995 5.676 7.743 762 H ILE 90 HN ILE 90 97.864 4.095 2.560 763 HA ILE 90 HA ILE 90 99.115 6.410 1.556 764 HB ILE 90 HB ILE 90 97.280 4.407 0.190 765 HG12 ILE 90 HG12 ILE 90 100.266 4.681 0.578 766 HG13 ILE 90 HG11 ILE 90 99.243 3.307 0.952 767 HG21 ILE 90 HG21 ILE 90 98.040 5.311 -1.908 768 HG22 ILE 90 HG22 ILE 90 99.210 6.362 -1.105 769 HG23 ILE 90 HG23 ILE 90 97.491 6.681 -0.977 770 HD11 ILE 90 HD11 ILE 90 98.717 3.356 -1.631 771 HD12 ILE 90 HD12 ILE 90 100.207 2.613 -1.065 772 HD13 ILE 90 HD13 ILE 90 100.235 4.245 -1.722 773 H ASP 91 HN ASP 91 95.677 5.524 1.841 774 HA ASP 91 HA ASP 91 94.537 7.686 0.507 775 HB2 ASP 91 HB2 ASP 91 93.631 5.886 2.718 776 HB3 ASP 91 HB1 ASP 91 92.652 7.294 2.313 777 H LYS 92 HN LYS 92 95.697 7.430 3.835 778 HA LYS 92 HA LYS 92 94.714 9.921 4.744 779 HB2 LYS 92 HB2 LYS 92 97.104 8.298 5.653 780 HB3 LYS 92 HB1 LYS 92 96.437 9.676 6.527 781 HG2 LYS 92 HG2 LYS 92 94.618 7.433 5.738 782 HG3 LYS 92 HG1 LYS 92 95.661 7.233 7.147 783 HD2 LYS 92 HD2 LYS 92 94.747 9.325 8.104 784 HD3 LYS 92 HD1 LYS 92 93.680 9.493 6.714 785 HE2 LYS 92 HE2 LYS 92 92.659 7.295 7.260 786 HE3 LYS 92 HE1 LYS 92 93.677 7.206 8.697 787 HZ1 LYS 92 HZ1 LYS 92 91.279 8.705 8.254 788 HZ2 LYS 92 HZ2 LYS 92 92.542 9.672 8.852 789 HZ3 LYS 92 HZ3 LYS 92 92.042 8.295 9.712 790 H LYS 93 HN LYS 93 95.602 11.946 4.797 791 HA LYS 93 HA LYS 93 97.357 12.669 2.685 792 HB2 LYS 93 HB2 LYS 93 96.369 14.209 5.092 793 HB3 LYS 93 HB1 LYS 93 97.323 14.925 3.791 794 HG2 LYS 93 HG2 LYS 93 95.604 14.257 2.154 795 HG3 LYS 93 HG1 LYS 93 94.650 13.531 3.448 796 HD2 LYS 93 HD2 LYS 93 94.479 15.736 4.555 797 HD3 LYS 93 HD1 LYS 93 95.414 16.459 3.247 798 HE2 LYS 93 HE2 LYS 93 93.691 15.817 1.625 799 HE3 LYS 93 HE1 LYS 93 92.761 15.032 2.903 800 HZ1 LYS 93 HZ1 LYS 93 92.145 17.409 2.246 801 HZ2 LYS 93 HZ2 LYS 93 93.532 17.873 3.112 802 HZ3 LYS 93 HZ3 LYS 93 92.272 17.050 3.899 803 H GLU 94 HN GLU 94 98.079 11.068 5.425 804 HA GLU 94 HA GLU 94 100.411 12.465 6.329 805 HB2 GLU 94 HB2 GLU 94 99.054 10.808 7.683 806 HB3 GLU 94 HB1 GLU 94 99.796 9.534 6.713 807 HG2 GLU 94 HG2 GLU 94 102.027 10.243 7.428 808 HG3 GLU 94 HG1 GLU 94 101.337 11.593 8.317 809 H VAL 95 HN VAL 95 100.840 12.541 3.742 810 HA VAL 95 HA VAL 95 102.558 10.265 3.006 811 HB VAL 95 HB VAL 95 102.387 11.002 0.755 812 HG11 VAL 95 HG11 VAL 95 100.141 10.408 2.276 813 HG12 VAL 95 HG12 VAL 95 100.222 10.419 0.516 814 HG13 VAL 95 HG13 VAL 95 99.661 11.849 1.380 815 HG21 VAL 95 HG21 VAL 95 102.793 13.329 0.867 816 HG22 VAL 95 HG22 VAL 95 101.493 13.593 2.026 817 HG23 VAL 95 HG23 VAL 95 101.112 13.233 0.342 818 H ASN 96 HN ASN 96 104.726 10.454 2.829 819 HA ASN 96 HA ASN 96 105.971 12.754 3.968 820 HB2 ASN 96 HB2 ASN 96 106.774 10.051 3.170 821 HB3 ASN 96 HB1 ASN 96 108.024 11.254 2.907 822 HD21 ASN 96 HD21 ASN 96 107.460 13.008 5.105 823 HD22 ASN 96 HD22 ASN 96 107.764 12.171 6.549 824 HA PRO 97 HA PRO 97 107.131 15.375 0.635 825 HB2 PRO 97 HB2 PRO 97 109.965 14.559 1.069 826 HB3 PRO 97 HB1 PRO 97 109.262 16.184 0.975 827 HG2 PRO 97 HG2 PRO 97 109.973 15.026 3.304 828 HG3 PRO 97 HG1 PRO 97 108.655 16.197 3.163 829 HD2 PRO 97 HD2 PRO 97 108.517 13.320 3.704 830 HD3 PRO 97 HD1 PRO 97 107.289 14.575 3.951 831 H GLN 98 HN GLN 98 107.961 12.053 0.693 832 HA GLN 98 HA GLN 98 109.323 11.563 -1.635 833 HB2 GLN 98 HB2 GLN 98 108.559 9.390 -1.493 834 HB3 GLN 98 HB1 GLN 98 108.229 9.951 0.145 835 HG2 GLN 98 HG2 GLN 98 105.924 10.672 -0.827 836 HG3 GLN 98 HG1 GLN 98 106.311 9.562 -2.143 837 HE21 GLN 98 HE21 GLN 98 104.199 8.600 -0.937 838 HE22 GLN 98 HE22 GLN 98 104.546 7.421 0.234 839 H VAL 99 HN VAL 99 106.345 13.137 -1.352 840 HA VAL 99 HA VAL 99 105.016 12.357 -3.707 841 HB VAL 99 HB VAL 99 105.028 14.984 -2.201 842 HG11 VAL 99 HG11 VAL 99 102.805 15.269 -3.471 843 HG12 VAL 99 HG12 VAL 99 103.414 14.032 -4.570 844 HG13 VAL 99 HG13 VAL 99 104.287 15.553 -4.385 845 HG21 VAL 99 HG21 VAL 99 102.990 12.740 -2.334 846 HG22 VAL 99 HG22 VAL 99 102.925 14.162 -1.296 847 HG23 VAL 99 HG23 VAL 99 104.168 12.934 -1.034 848 H MET 100 HN MET 100 107.361 14.977 -3.128 849 HA MET 100 HA MET 100 107.360 15.928 -5.811 850 HB2 MET 100 HB2 MET 100 109.315 16.227 -3.536 851 HB3 MET 100 HB1 MET 100 109.544 17.005 -5.099 852 HG2 MET 100 HG2 MET 100 107.374 18.141 -4.874 853 HG3 MET 100 HG1 MET 100 107.113 17.351 -3.321 854 HE1 MET 100 HE1 MET 100 107.894 17.988 -1.223 855 HE2 MET 100 HE2 MET 100 109.291 18.984 -0.829 856 HE3 MET 100 HE3 MET 100 109.526 17.415 -1.583 857 H ALA 101 HN ALA 101 109.410 13.627 -4.037 858 HA ALA 101 HA ALA 101 111.144 13.162 -6.281 859 HB1 ALA 101 HB1 ALA 101 111.713 11.091 -4.716 860 HB2 ALA 101 HB2 ALA 101 110.809 12.031 -3.517 861 HB3 ALA 101 HB3 ALA 101 112.247 12.717 -4.278 862 H ALA 102 HN ALA 102 108.058 12.142 -5.404 863 HA ALA 102 HA ALA 102 108.239 9.559 -6.774 864 HB1 ALA 102 HB1 ALA 102 106.957 9.512 -4.748 865 HB2 ALA 102 HB2 ALA 102 105.824 9.352 -6.095 866 HB3 ALA 102 HB3 ALA 102 105.993 10.901 -5.270 867 H VAL 103 HN VAL 103 107.074 12.789 -7.276 868 HA VAL 103 HA VAL 103 105.242 12.358 -9.358 869 HB VAL 103 HB VAL 103 107.083 14.676 -8.745 870 HG11 VAL 103 HG11 VAL 103 106.723 15.126 -10.980 871 HG12 VAL 103 HG12 VAL 103 105.233 15.798 -10.318 872 HG13 VAL 103 HG13 VAL 103 105.231 14.188 -11.037 873 HG21 VAL 103 HG21 VAL 103 104.192 15.061 -8.625 874 HG22 VAL 103 HG22 VAL 103 105.411 15.363 -7.386 875 HG23 VAL 103 HG23 VAL 103 104.722 13.752 -7.568 876 H ALA 104 HN ALA 104 108.762 12.929 -9.482 877 HA ALA 104 HA ALA 104 109.035 12.872 -12.274 878 HB1 ALA 104 HB1 ALA 104 111.131 11.788 -10.406 879 HB2 ALA 104 HB2 ALA 104 110.757 13.510 -10.444 880 HB3 ALA 104 HB3 ALA 104 111.347 12.704 -11.897 881 H GLN 105 HN GLN 105 108.758 10.307 -9.906 882 HA GLN 105 HA GLN 105 109.493 8.228 -11.794 883 HB2 GLN 105 HB2 GLN 105 108.363 8.101 -8.987 884 HB3 GLN 105 HB1 GLN 105 108.865 6.698 -9.930 885 HG2 GLN 105 HG2 GLN 105 110.680 9.030 -9.261 886 HG3 GLN 105 HG1 GLN 105 110.633 7.522 -8.349 887 HE21 GLN 105 HE21 GLN 105 112.845 8.707 -10.085 888 HE22 GLN 105 HE22 GLN 105 113.209 7.481 -11.201 889 H THR 106 HN THR 106 106.886 7.351 -9.819 890 HA THR 106 HA THR 106 104.853 6.420 -10.436 891 HB THR 106 HB THR 106 104.705 9.235 -11.531 892 HG1 THR 106 HG1 THR 106 103.521 8.136 -9.218 893 HG21 THR 106 HG21 THR 106 102.882 8.368 -12.616 894 HG22 THR 106 HG22 THR 106 102.141 8.581 -11.029 895 HG23 THR 106 HG23 THR 106 102.748 6.998 -11.514 896 H GLU 107 HN GLU 107 105.705 4.838 -11.903 897 HA GLU 107 HA GLU 107 106.282 5.204 -14.600 898 HB2 GLU 107 HB2 GLU 107 105.000 2.813 -13.245 899 HB3 GLU 107 HB1 GLU 107 105.713 2.803 -14.857 900 HG2 GLU 107 HG2 GLU 107 107.897 3.384 -13.970 901 HG3 GLU 107 HG1 GLU 107 107.226 3.584 -12.353 902 H GLU 108 HN GLU 108 105.069 5.042 -16.499 903 HA GLU 108 HA GLU 108 102.306 5.921 -16.247 904 HB2 GLU 108 HB2 GLU 108 104.103 5.500 -18.648 905 HB3 GLU 108 HB1 GLU 108 102.446 6.106 -18.739 906 HG2 GLU 108 HG2 GLU 108 103.025 8.021 -17.347 907 HG3 GLU 108 HG1 GLU 108 104.657 7.396 -17.112 908 H ILE 109 HN ILE 109 100.699 4.501 -16.098 909 HA ILE 109 HA ILE 109 100.886 1.747 -16.361 910 HB ILE 109 HB ILE 109 98.399 1.783 -16.565 911 HG12 ILE 109 HG12 ILE 109 98.695 4.798 -16.606 912 HG13 ILE 109 HG11 ILE 109 98.399 3.852 -18.061 913 HG21 ILE 109 HG21 ILE 109 98.897 1.929 -14.324 914 HG22 ILE 109 HG22 ILE 109 98.178 3.526 -14.518 915 HG23 ILE 109 HG23 ILE 109 99.928 3.345 -14.537 916 HD11 ILE 109 HD11 ILE 109 96.277 3.155 -17.336 917 HD12 ILE 109 HD12 ILE 109 96.349 4.840 -16.822 918 HD13 ILE 109 HD13 ILE 109 96.620 3.549 -15.652 919 H LEU 110 HN LEU 110 100.601 4.165 -18.822 920 HA LEU 110 HA LEU 110 99.552 2.564 -20.912 921 HB2 LEU 110 HB2 LEU 110 101.388 4.975 -21.044 922 HB3 LEU 110 HB1 LEU 110 100.497 4.297 -22.406 923 HG LEU 110 HG LEU 110 99.238 5.364 -19.862 924 HD11 LEU 110 HD11 LEU 110 98.474 6.770 -22.237 925 HD12 LEU 110 HD12 LEU 110 100.235 6.723 -22.161 926 HD13 LEU 110 HD13 LEU 110 99.312 7.396 -20.817 927 HD21 LEU 110 HD21 LEU 110 97.639 3.882 -20.621 928 HD22 LEU 110 HD22 LEU 110 98.215 3.946 -22.285 929 HD23 LEU 110 HD23 LEU 110 97.230 5.258 -21.642 930 H LYS 111 HN LYS 111 102.865 3.240 -19.847 931 HA LYS 111 HA LYS 111 104.158 1.837 -21.941 932 HB2 LYS 111 HB2 LYS 111 105.268 3.511 -20.463 933 HB3 LYS 111 HB1 LYS 111 105.176 2.351 -19.137 934 HG2 LYS 111 HG2 LYS 111 106.529 0.750 -20.398 935 HG3 LYS 111 HG1 LYS 111 106.562 1.835 -21.789 936 HD2 LYS 111 HD2 LYS 111 107.731 3.538 -20.430 937 HD3 LYS 111 HD1 LYS 111 107.710 2.445 -19.046 938 HE2 LYS 111 HE2 LYS 111 109.880 2.345 -20.224 939 HE3 LYS 111 HE1 LYS 111 109.036 0.800 -20.315 940 HZ1 LYS 111 HZ1 LYS 111 108.942 0.944 -22.511 941 HZ2 LYS 111 HZ2 LYS 111 109.976 2.288 -22.423 942 HZ3 LYS 111 HZ3 LYS 111 108.293 2.510 -22.459 943 H SER 112 HN SER 112 102.985 0.890 -18.748 944 HA SER 112 HA SER 112 104.155 -1.651 -18.620 945 HB2 SER 112 HB2 SER 112 102.382 -2.174 -16.985 946 HB3 SER 112 HB1 SER 112 103.099 -0.594 -16.683 947 HG SER 112 HG SER 112 101.336 0.357 -17.680 948 H ASN 113 HN ASN 113 101.022 -0.613 -19.914 949 HA ASN 113 HA ASN 113 100.165 -3.219 -20.687 950 HB2 ASN 113 HB2 ASN 113 98.560 -1.416 -20.386 951 HB3 ASN 113 HB1 ASN 113 99.320 -0.490 -21.680 952 HD21 ASN 113 HD21 ASN 113 96.816 -0.807 -22.355 953 HD22 ASN 113 HD22 ASN 113 96.536 -2.124 -23.388 954 H SER 114 HN SER 114 101.827 -0.589 -22.376 955 HA SER 114 HA SER 114 103.020 -2.441 -24.231 956 HB2 SER 114 HB2 SER 114 102.022 -1.663 -26.249 957 HB3 SER 114 HB1 SER 114 100.688 -2.020 -25.157 958 HG SER 114 HG SER 114 101.102 0.364 -24.568 959 H GLN 115 HN GLN 115 104.873 -1.622 -25.102 960 HA GLN 115 HA GLN 115 105.701 1.013 -24.146 961 HB2 GLN 115 HB2 GLN 115 107.230 -1.196 -25.543 962 HB3 GLN 115 HB1 GLN 115 107.940 0.308 -24.969 963 HG2 GLN 115 HG2 GLN 115 107.283 -0.212 -22.676 964 HG3 GLN 115 HG1 GLN 115 106.475 -1.681 -23.217 965 HE21 GLN 115 HE21 GLN 115 108.166 -2.575 -21.535 966 HE22 GLN 115 HE22 GLN 115 109.681 -3.009 -22.169 967 H THR 116 HN THR 116 103.718 0.711 -26.324 968 HA THR 116 HA THR 116 104.875 1.236 -28.849 969 HB THR 116 HB THR 116 102.649 2.136 -29.441 970 HG1 THR 116 HG1 THR 116 101.942 3.192 -27.702 971 HG21 THR 116 HG21 THR 116 103.265 -0.458 -28.446 972 HG22 THR 116 HG22 THR 116 102.038 -0.015 -29.634 973 HG23 THR 116 HG23 THR 116 101.628 -0.065 -27.919 974 H ASP 117 HN ASP 117 103.773 3.415 -26.262 975 HA ASP 117 HA ASP 117 104.159 5.852 -27.571 976 HB2 ASP 117 HB2 ASP 117 103.037 5.636 -25.386 977 HB3 ASP 117 HB1 ASP 117 104.578 5.224 -24.637 978 H LEU 118 HN LEU 118 106.436 4.038 -25.506 979 HA LEU 118 HA LEU 118 108.637 5.451 -26.859 980 HB2 LEU 118 HB2 LEU 118 108.440 4.786 -23.916 981 HB3 LEU 118 HB1 LEU 118 109.875 5.432 -24.704 982 HG LEU 118 HG LEU 118 107.163 6.793 -24.692 983 HD11 LEU 118 HD11 LEU 118 108.908 8.394 -23.289 984 HD12 LEU 118 HD12 LEU 118 109.396 6.779 -22.775 985 HD13 LEU 118 HD13 LEU 118 107.728 7.308 -22.554 986 HD21 LEU 118 HD21 LEU 118 108.151 7.814 -26.480 987 HD22 LEU 118 HD22 LEU 118 109.770 7.301 -26.014 988 HD23 LEU 118 HD23 LEU 118 109.035 8.700 -25.240 989 H GLU 119 HN GLU 119 110.216 4.166 -27.647 990 HA GLU 119 HA GLU 119 110.069 1.295 -26.978 991 HB2 GLU 119 HB2 GLU 119 109.712 1.970 -29.369 992 HB3 GLU 119 HB1 GLU 119 111.361 2.595 -29.387 993 HG2 GLU 119 HG2 GLU 119 111.463 0.363 -30.262 994 HG3 GLU 119 HG1 GLU 119 112.129 0.292 -28.636 995 H HIS 120 HN HIS 120 111.646 0.482 -25.769 996 HA HIS 120 HA HIS 120 113.924 2.040 -25.004 997 HB2 HIS 120 HB2 HIS 120 112.833 0.405 -23.490 998 HB3 HIS 120 HB1 HIS 120 113.377 -0.901 -24.543 999 HD1 HIS 120 HD1 HIS 120 115.007 2.088 -22.795 1000 HD2 HIS 120 HD2 HIS 120 115.795 -1.905 -23.695 1001 HE1 HIS 120 HE1 HIS 120 117.269 1.560 -21.787 1002 HE2 HIS 120 HE2 HIS 120 117.764 -0.871 -22.327 1003 H HIS 121 HN HIS 121 116.080 1.750 -25.530 1004 HA HIS 121 HA HIS 121 116.548 0.316 -28.058 1005 HB2 HIS 121 HB2 HIS 121 117.966 2.565 -26.645 1006 HB3 HIS 121 HB1 HIS 121 118.756 1.651 -27.929 1007 HD1 HIS 121 HD1 HIS 121 116.474 4.432 -27.384 1008 HD2 HIS 121 HD2 HIS 121 117.136 1.684 -30.448 1009 HE1 HIS 121 HE1 HIS 121 115.364 5.384 -29.452 1010 HE2 HIS 121 HE2 HIS 121 115.758 3.720 -31.329 1011 H HIS 122 HN HIS 122 117.803 -1.449 -28.162 1012 HA HIS 122 HA HIS 122 118.617 -2.808 -25.814 1013 HB2 HIS 122 HB2 HIS 122 118.065 -3.882 -28.021 1014 HB3 HIS 122 HB1 HIS 122 119.612 -3.292 -28.629 1015 HD1 HIS 122 HD1 HIS 122 121.746 -4.463 -27.814 1016 HD2 HIS 122 HD2 HIS 122 118.289 -5.919 -25.996 1017 HE1 HIS 122 HE1 HIS 122 122.422 -6.559 -26.564 1018 HE2 HIS 122 HE2 HIS 122 120.325 -7.459 -25.450 1019 H HIS 123 HN HIS 123 120.412 -0.929 -28.235 1020 HA HIS 123 HA HIS 123 122.823 -1.122 -26.547 1021 HB2 HIS 123 HB2 HIS 123 122.450 -0.325 -29.438 1022 HB3 HIS 123 HB1 HIS 123 123.985 -0.204 -28.577 1023 HD1 HIS 123 HD1 HIS 123 121.508 -2.732 -29.877 1024 HD2 HIS 123 HD2 HIS 123 125.284 -2.674 -28.112 1025 HE1 HIS 123 HE1 HIS 123 122.426 -5.083 -30.074 1026 HE2 HIS 123 HE2 HIS 123 124.728 -5.065 -29.002 1027 H HIS 124 HN HIS 124 123.089 0.504 -25.167 1028 HA HIS 124 HA HIS 124 121.813 3.076 -25.616 1029 HB2 HIS 124 HB2 HIS 124 121.737 2.297 -23.366 1030 HB3 HIS 124 HB1 HIS 124 123.465 1.939 -23.358 1031 HD1 HIS 124 HD1 HIS 124 125.049 3.826 -22.773 1032 HD2 HIS 124 HD2 HIS 124 121.149 5.164 -23.387 1033 HE1 HIS 124 HE1 HIS 124 125.008 6.262 -22.075 1034 HE2 HIS 124 HE2 HIS 124 122.636 7.091 -22.444 1035 H HIS 125 HN HIS 125 122.759 4.806 -26.488 1036 HA HIS 125 HA HIS 125 124.352 6.078 -27.561 1037 HB2 HIS 125 HB2 HIS 125 124.887 6.579 -25.213 1038 HB3 HIS 125 HB1 HIS 125 125.972 5.190 -25.161 1039 HD1 HIS 125 HD1 HIS 125 128.220 5.373 -26.442 1040 HD2 HIS 125 HD2 HIS 125 125.879 8.814 -26.684 1041 HE1 HIS 125 HE1 HIS 125 129.710 7.186 -27.396 1042 HE2 HIS 125 HE2 HIS 125 128.297 9.291 -27.549 Start of MODEL 12 1 H21 MYR 1 1H2 MYR 1 116.306 8.693 0.040 2 H22 MYR 1 2H2 MYR 1 115.792 9.868 1.042 3 H31 MYR 1 1H3 MYR 1 114.333 10.712 -0.554 4 H32 MYR 1 2H3 MYR 1 114.982 9.791 -1.729 5 H41 MYR 1 1H4 MYR 1 113.676 8.111 -1.251 6 H42 MYR 1 2H4 MYR 1 114.019 8.205 0.337 7 H51 MYR 1 1H5 MYR 1 112.343 10.278 -0.364 8 H52 MYR 1 2H5 MYR 1 111.663 8.863 -0.808 9 H61 MYR 1 1H6 MYR 1 112.462 8.285 1.615 10 H62 MYR 1 2H6 MYR 1 112.109 9.864 1.793 11 H71 MYR 1 1H7 MYR 1 109.909 9.544 1.409 12 H72 MYR 1 2H7 MYR 1 110.151 8.110 0.675 13 H81 MYR 1 1H8 MYR 1 110.931 7.593 3.128 14 H82 MYR 1 2H8 MYR 1 109.695 8.625 3.384 15 H91 MYR 1 1H9 MYR 1 108.380 7.076 1.928 16 H92 MYR 1 2H9 MYR 1 109.566 6.000 2.230 17 H101 MYR 1 1H10 MYR 1 108.802 6.970 4.642 18 H102 MYR 1 2H10 MYR 1 107.428 6.621 3.841 19 H111 MYR 1 1H11 MYR 1 109.095 4.480 3.530 20 H112 MYR 1 2H11 MYR 1 109.079 4.844 5.115 21 H121 MYR 1 1H12 MYR 1 107.082 3.987 5.363 22 H122 MYR 1 2H12 MYR 1 106.491 4.874 4.131 23 H131 MYR 1 1H13 MYR 1 107.363 3.221 2.594 24 H132 MYR 1 2H13 MYR 1 107.785 2.303 3.870 25 H141 MYR 1 1H14 MYR 1 105.796 1.394 3.418 26 H142 MYR 1 2H14 MYR 1 105.323 2.556 4.466 27 H143 MYR 1 3H14 MYR 1 105.175 2.797 2.858 28 H GLY 2 HN GLY 2 118.252 8.986 0.223 29 HA2 GLY 2 HA2 GLY 2 120.104 10.382 0.711 30 HA3 GLY 2 HA1 GLY 2 119.090 11.791 0.413 31 H GLN 3 HN GLN 3 118.991 12.930 2.248 32 HA GLN 3 HA GLN 3 119.286 11.844 4.849 33 HB2 GLN 3 HB2 GLN 3 118.109 14.489 3.963 34 HB3 GLN 3 HB1 GLN 3 118.559 14.082 5.619 35 HG2 GLN 3 HG2 GLN 3 120.469 14.048 3.267 36 HG3 GLN 3 HG1 GLN 3 120.335 15.370 4.423 37 HE21 GLN 3 HE21 GLN 3 122.349 12.909 3.780 38 HE22 GLN 3 HE22 GLN 3 122.805 12.451 5.350 39 H GLU 4 HN GLU 4 116.561 12.254 2.756 40 HA GLU 4 HA GLU 4 114.437 12.303 4.556 41 HB2 GLU 4 HB2 GLU 4 114.665 11.040 1.825 42 HB3 GLU 4 HB1 GLU 4 113.150 11.150 2.718 43 HG2 GLU 4 HG2 GLU 4 113.295 13.570 2.779 44 HG3 GLU 4 HG1 GLU 4 114.899 13.533 2.049 45 H LEU 5 HN LEU 5 116.687 9.813 3.888 46 HA LEU 5 HA LEU 5 115.387 7.457 4.298 47 HB2 LEU 5 HB2 LEU 5 117.862 7.730 3.972 48 HB3 LEU 5 HB1 LEU 5 117.984 8.190 5.666 49 HG LEU 5 HG LEU 5 116.934 6.006 6.298 50 HD11 LEU 5 HD11 LEU 5 115.725 5.174 4.518 51 HD12 LEU 5 HD12 LEU 5 117.233 4.311 4.244 52 HD13 LEU 5 HD13 LEU 5 116.872 5.765 3.319 53 HD21 LEU 5 HD21 LEU 5 119.451 5.896 4.613 54 HD22 LEU 5 HD22 LEU 5 118.930 4.620 5.712 55 HD23 LEU 5 HD23 LEU 5 119.357 6.209 6.347 56 H SER 6 HN SER 6 116.130 9.911 6.700 57 HA SER 6 HA SER 6 115.633 8.543 9.067 58 HB2 SER 6 HB2 SER 6 114.831 11.387 8.407 59 HB3 SER 6 HB1 SER 6 115.029 10.714 10.023 60 HG SER 6 HG SER 6 117.237 10.129 9.076 61 H GLN 7 HN GLN 7 113.378 9.786 6.670 62 HA GLN 7 HA GLN 7 110.993 9.698 8.082 63 HB2 GLN 7 HB2 GLN 7 111.265 10.525 5.732 64 HB3 GLN 7 HB1 GLN 7 111.386 8.849 5.199 65 HG2 GLN 7 HG2 GLN 7 109.089 9.618 4.916 66 HG3 GLN 7 HG1 GLN 7 109.140 8.403 6.188 67 HE21 GLN 7 HE21 GLN 7 107.405 9.157 7.499 68 HE22 GLN 7 HE22 GLN 7 107.396 10.686 8.235 69 H HIS 8 HN HIS 8 112.719 7.066 6.415 70 HA HIS 8 HA HIS 8 110.794 5.049 6.814 71 HB2 HIS 8 HB2 HIS 8 113.784 4.996 6.443 72 HB3 HIS 8 HB1 HIS 8 112.846 3.518 6.646 73 HD1 HIS 8 HD1 HIS 8 111.181 2.880 4.755 74 HD2 HIS 8 HD2 HIS 8 113.371 6.335 3.964 75 HE1 HIS 8 HE1 HIS 8 110.828 3.407 2.302 76 HE2 HIS 8 HE2 HIS 8 112.158 5.512 1.805 77 H GLU 9 HN GLU 9 113.654 5.958 8.741 78 HA GLU 9 HA GLU 9 113.487 4.059 10.759 79 HB2 GLU 9 HB2 GLU 9 114.262 6.977 10.899 80 HB3 GLU 9 HB1 GLU 9 114.460 5.869 12.252 81 HG2 GLU 9 HG2 GLU 9 115.624 5.394 9.497 82 HG3 GLU 9 HG1 GLU 9 116.522 6.117 10.830 83 H ARG 10 HN ARG 10 111.482 6.857 10.225 84 HA ARG 10 HA ARG 10 110.134 6.641 12.799 85 HB2 ARG 10 HB2 ARG 10 109.281 8.269 10.401 86 HB3 ARG 10 HB1 ARG 10 108.807 8.501 12.074 87 HG2 ARG 10 HG2 ARG 10 111.720 8.625 11.300 88 HG3 ARG 10 HG1 ARG 10 110.689 10.038 11.146 89 HD2 ARG 10 HD2 ARG 10 110.066 9.778 13.552 90 HD3 ARG 10 HD1 ARG 10 111.210 8.451 13.677 91 HE ARG 10 HE ARG 10 111.853 11.280 13.443 92 HH11 ARG 10 HH11 ARG 10 114.043 11.768 13.792 93 HH12 ARG 10 HH12 ARG 10 115.212 10.491 13.846 94 HH21 ARG 10 HH21 ARG 10 112.886 7.979 13.306 95 HH22 ARG 10 HH22 ARG 10 114.556 8.346 13.572 96 H TYR 11 HN TYR 11 109.295 6.116 9.385 97 HA TYR 11 HA TYR 11 106.684 5.232 9.686 98 HB2 TYR 11 HB2 TYR 11 107.698 5.590 7.488 99 HB3 TYR 11 HB1 TYR 11 108.787 4.226 7.748 100 HD1 TYR 11 HD1 TYR 11 108.084 1.994 7.330 101 HD2 TYR 11 HD2 TYR 11 105.201 5.176 7.436 102 HE1 TYR 11 HE1 TYR 11 106.349 0.447 6.468 103 HE2 TYR 11 HE2 TYR 11 103.464 3.624 6.585 104 HH TYR 11 HH TYR 11 104.045 0.868 5.071 105 H VAL 12 HN VAL 12 109.713 3.401 9.992 106 HA VAL 12 HA VAL 12 108.543 0.835 10.350 107 HB VAL 12 HB VAL 12 111.185 2.057 11.130 108 HG11 VAL 12 HG11 VAL 12 111.708 -0.488 11.610 109 HG12 VAL 12 HG12 VAL 12 109.984 -0.568 11.964 110 HG13 VAL 12 HG13 VAL 12 111.023 0.528 12.879 111 HG21 VAL 12 HG21 VAL 12 112.029 0.647 9.395 112 HG22 VAL 12 HG22 VAL 12 110.548 1.345 8.745 113 HG23 VAL 12 HG23 VAL 12 110.549 -0.313 9.354 114 H GLU 13 HN GLU 13 109.700 3.201 12.753 115 HA GLU 13 HA GLU 13 108.791 1.699 15.001 116 HB2 GLU 13 HB2 GLU 13 110.532 3.488 15.101 117 HB3 GLU 13 HB1 GLU 13 109.263 4.683 14.835 118 HG2 GLU 13 HG2 GLU 13 108.115 3.964 16.874 119 HG3 GLU 13 HG1 GLU 13 109.323 2.705 17.132 120 H GLN 14 HN GLN 14 107.340 4.259 13.063 121 HA GLN 14 HA GLN 14 105.065 4.622 14.713 122 HB2 GLN 14 HB2 GLN 14 105.876 6.340 13.105 123 HB3 GLN 14 HB1 GLN 14 105.412 5.274 11.775 124 HG2 GLN 14 HG2 GLN 14 103.651 6.944 12.194 125 HG3 GLN 14 HG1 GLN 14 103.058 5.323 12.586 126 HE21 GLN 14 HE21 GLN 14 101.565 5.909 14.254 127 HE22 GLN 14 HE22 GLN 14 102.050 6.639 15.709 128 H LEU 15 HN LEU 15 105.033 3.488 11.358 129 HA LEU 15 HA LEU 15 102.623 2.342 11.188 130 HB2 LEU 15 HB2 LEU 15 104.753 2.204 9.581 131 HB3 LEU 15 HB1 LEU 15 104.882 0.594 10.283 132 HG LEU 15 HG LEU 15 103.543 0.471 8.242 133 HD11 LEU 15 HD11 LEU 15 102.861 -0.767 10.429 134 HD12 LEU 15 HD12 LEU 15 101.692 -0.692 9.122 135 HD13 LEU 15 HD13 LEU 15 101.539 0.399 10.488 136 HD21 LEU 15 HD21 LEU 15 102.035 2.060 7.642 137 HD22 LEU 15 HD22 LEU 15 102.738 3.037 8.927 138 HD23 LEU 15 HD23 LEU 15 101.301 2.083 9.239 139 H LYS 16 HN LYS 16 105.430 0.783 12.717 140 HA LYS 16 HA LYS 16 104.126 -1.617 13.428 141 HB2 LYS 16 HB2 LYS 16 106.543 -0.197 14.493 142 HB3 LYS 16 HB1 LYS 16 105.964 -1.683 15.222 143 HG2 LYS 16 HG2 LYS 16 106.082 -2.797 13.011 144 HG3 LYS 16 HG1 LYS 16 106.732 -1.312 12.327 145 HD2 LYS 16 HD2 LYS 16 108.690 -1.419 13.714 146 HD3 LYS 16 HD1 LYS 16 108.032 -2.777 14.631 147 HE2 LYS 16 HE2 LYS 16 107.924 -3.983 12.323 148 HE3 LYS 16 HE1 LYS 16 109.060 -2.738 11.806 149 HZ1 LYS 16 HZ1 LYS 16 109.391 -4.709 13.982 150 HZ2 LYS 16 HZ2 LYS 16 110.405 -3.367 13.799 151 HZ3 LYS 16 HZ3 LYS 16 110.328 -4.548 12.581 152 H GLN 17 HN GLN 17 104.449 1.462 15.075 153 HA GLN 17 HA GLN 17 103.257 0.690 17.547 154 HB2 GLN 17 HB2 GLN 17 103.778 3.300 16.190 155 HB3 GLN 17 HB1 GLN 17 102.708 3.266 17.582 156 HG2 GLN 17 HG2 GLN 17 104.435 2.224 18.934 157 HG3 GLN 17 HG1 GLN 17 105.497 2.090 17.540 158 HE21 GLN 17 HE21 GLN 17 106.663 3.470 19.529 159 HE22 GLN 17 HE22 GLN 17 106.603 5.146 19.272 160 H ALA 18 HN ALA 18 101.883 2.527 14.803 161 HA ALA 18 HA ALA 18 99.229 2.550 15.641 162 HB1 ALA 18 HB1 ALA 18 100.313 2.431 12.819 163 HB2 ALA 18 HB2 ALA 18 100.011 3.893 13.757 164 HB3 ALA 18 HB3 ALA 18 98.663 2.873 13.255 165 H LEU 19 HN LEU 19 101.147 -0.013 14.668 166 HA LEU 19 HA LEU 19 98.923 -1.724 13.815 167 HB2 LEU 19 HB2 LEU 19 101.854 -1.921 13.717 168 HB3 LEU 19 HB1 LEU 19 101.021 -3.452 13.958 169 HG LEU 19 HG LEU 19 100.391 -1.457 11.762 170 HD11 LEU 19 HD11 LEU 19 102.644 -2.740 11.690 171 HD12 LEU 19 HD12 LEU 19 101.601 -2.819 10.272 172 HD13 LEU 19 HD13 LEU 19 101.649 -4.168 11.405 173 HD21 LEU 19 HD21 LEU 19 99.076 -3.866 12.795 174 HD22 LEU 19 HD22 LEU 19 99.413 -3.968 11.071 175 HD23 LEU 19 HD23 LEU 19 98.450 -2.635 11.704 176 H LYS 20 HN LYS 20 101.400 -1.789 16.361 177 HA LYS 20 HA LYS 20 100.701 -3.960 17.801 178 HB2 LYS 20 HB2 LYS 20 102.505 -2.367 18.424 179 HB3 LYS 20 HB1 LYS 20 101.273 -1.258 19.025 180 HG2 LYS 20 HG2 LYS 20 100.527 -2.907 20.663 181 HG3 LYS 20 HG1 LYS 20 101.669 -4.092 20.026 182 HD2 LYS 20 HD2 LYS 20 103.550 -2.646 20.657 183 HD3 LYS 20 HD1 LYS 20 102.428 -1.426 21.261 184 HE2 LYS 20 HE2 LYS 20 103.038 -2.605 23.207 185 HE3 LYS 20 HE1 LYS 20 101.502 -3.342 22.755 186 HZ1 LYS 20 HZ1 LYS 20 102.957 -4.965 21.439 187 HZ2 LYS 20 HZ2 LYS 20 102.885 -5.143 23.128 188 HZ3 LYS 20 HZ3 LYS 20 104.232 -4.401 22.406 189 H THR 21 HN THR 21 98.997 -0.875 17.758 190 HA THR 21 HA THR 21 97.175 -1.403 19.846 191 HB THR 21 HB THR 21 97.279 0.827 19.094 192 HG1 THR 21 HG1 THR 21 95.202 1.126 19.020 193 HG21 THR 21 HG21 THR 21 96.389 1.022 16.511 194 HG22 THR 21 HG22 THR 21 97.319 -0.476 16.470 195 HG23 THR 21 HG23 THR 21 98.090 1.023 16.987 196 H ARG 22 HN ARG 22 97.153 -2.290 16.443 197 HA ARG 22 HA ARG 22 94.468 -3.211 16.378 198 HB2 ARG 22 HB2 ARG 22 96.859 -3.666 14.609 199 HB3 ARG 22 HB1 ARG 22 95.339 -4.490 14.314 200 HG2 ARG 22 HG2 ARG 22 95.309 -1.525 14.739 201 HG3 ARG 22 HG1 ARG 22 95.832 -2.148 13.166 202 HD2 ARG 22 HD2 ARG 22 93.237 -2.980 14.499 203 HD3 ARG 22 HD1 ARG 22 93.354 -1.658 13.351 204 HE ARG 22 HE ARG 22 94.544 -3.892 12.166 205 HH11 ARG 22 HH11 ARG 22 93.353 -5.169 10.714 206 HH12 ARG 22 HH12 ARG 22 91.621 -5.143 10.765 207 HH21 ARG 22 HH21 ARG 22 91.469 -2.870 13.379 208 HH22 ARG 22 HH22 ARG 22 90.555 -3.841 12.274 209 H GLY 23 HN GLY 23 97.182 -4.400 17.911 210 HA2 GLY 23 HA2 GLY 23 96.917 -6.306 19.418 211 HA3 GLY 23 HA1 GLY 23 95.908 -7.062 18.189 212 H VAL 24 HN VAL 24 98.877 -5.402 17.362 213 HA VAL 24 HA VAL 24 100.022 -7.998 16.574 214 HB VAL 24 HB VAL 24 100.962 -5.305 15.614 215 HG11 VAL 24 HG11 VAL 24 101.102 -8.140 14.544 216 HG12 VAL 24 HG12 VAL 24 102.443 -7.139 15.096 217 HG13 VAL 24 HG13 VAL 24 101.589 -6.723 13.619 218 HG21 VAL 24 HG21 VAL 24 98.553 -6.911 14.803 219 HG22 VAL 24 HG22 VAL 24 99.448 -6.038 13.561 220 HG23 VAL 24 HG23 VAL 24 98.732 -5.160 14.914 221 H LYS 25 HN LYS 25 102.474 -8.063 16.647 222 HA LYS 25 HA LYS 25 103.400 -6.812 19.146 223 HB2 LYS 25 HB2 LYS 25 104.308 -9.356 17.796 224 HB3 LYS 25 HB1 LYS 25 105.009 -8.693 19.273 225 HG2 LYS 25 HG2 LYS 25 102.711 -8.787 20.309 226 HG3 LYS 25 HG1 LYS 25 102.164 -9.656 18.878 227 HD2 LYS 25 HD2 LYS 25 104.478 -10.560 20.612 228 HD3 LYS 25 HD1 LYS 25 102.829 -11.157 20.793 229 HE2 LYS 25 HE2 LYS 25 102.974 -11.734 18.269 230 HE3 LYS 25 HE1 LYS 25 104.713 -11.529 18.466 231 HZ1 LYS 25 HZ1 LYS 25 104.204 -13.798 18.815 232 HZ2 LYS 25 HZ2 LYS 25 102.957 -13.426 19.908 233 HZ3 LYS 25 HZ3 LYS 25 104.575 -13.134 20.331 234 H VAL 26 HN VAL 26 105.457 -5.876 19.220 235 HA VAL 26 HA VAL 26 106.801 -5.503 16.612 236 HB VAL 26 HB VAL 26 107.196 -3.165 17.152 237 HG11 VAL 26 HG11 VAL 26 105.102 -3.699 16.000 238 HG12 VAL 26 HG12 VAL 26 104.849 -2.356 17.120 239 HG13 VAL 26 HG13 VAL 26 104.298 -3.972 17.545 240 HG21 VAL 26 HG21 VAL 26 107.314 -2.735 19.394 241 HG22 VAL 26 HG22 VAL 26 106.250 -4.084 19.799 242 HG23 VAL 26 HG23 VAL 26 105.565 -2.543 19.291 243 H LYS 27 HN LYS 27 108.293 -7.117 17.231 244 HA LYS 27 HA LYS 27 110.080 -6.348 19.438 245 HB2 LYS 27 HB2 LYS 27 108.886 -8.682 19.357 246 HB3 LYS 27 HB1 LYS 27 110.122 -9.053 18.157 247 HG2 LYS 27 HG2 LYS 27 111.300 -7.757 20.494 248 HG3 LYS 27 HG1 LYS 27 110.385 -9.183 20.957 249 HD2 LYS 27 HD2 LYS 27 111.645 -10.413 19.086 250 HD3 LYS 27 HD1 LYS 27 112.664 -8.985 18.998 251 HE2 LYS 27 HE2 LYS 27 113.233 -9.225 21.375 252 HE3 LYS 27 HE1 LYS 27 112.212 -10.660 21.467 253 HZ1 LYS 27 HZ1 LYS 27 114.135 -10.707 19.319 254 HZ2 LYS 27 HZ2 LYS 27 113.737 -11.910 20.451 255 HZ3 LYS 27 HZ3 LYS 27 114.833 -10.680 20.865 256 H TYR 28 HN TYR 28 112.423 -6.944 19.091 257 HA TYR 28 HA TYR 28 113.492 -5.592 16.903 258 HB2 TYR 28 HB2 TYR 28 114.747 -7.799 18.555 259 HB3 TYR 28 HB1 TYR 28 115.626 -6.689 17.503 260 HD1 TYR 28 HD1 TYR 28 113.874 -7.082 20.690 261 HD2 TYR 28 HD2 TYR 28 115.730 -4.269 18.028 262 HE1 TYR 28 HE1 TYR 28 113.942 -5.402 22.513 263 HE2 TYR 28 HE2 TYR 28 115.798 -2.589 19.850 264 HH TYR 28 HH TYR 28 114.720 -2.093 21.931 265 H ALA 29 HN ALA 29 112.859 -9.053 17.325 266 HA ALA 29 HA ALA 29 114.040 -10.011 15.008 267 HB1 ALA 29 HB1 ALA 29 112.014 -10.984 16.892 268 HB2 ALA 29 HB2 ALA 29 113.408 -11.811 16.211 269 HB3 ALA 29 HB3 ALA 29 111.918 -11.680 15.278 270 H ASP 30 HN ASP 30 111.201 -8.151 15.464 271 HA ASP 30 HA ASP 30 109.833 -8.878 13.041 272 HB2 ASP 30 HB2 ASP 30 108.763 -7.822 15.069 273 HB3 ASP 30 HB1 ASP 30 109.525 -6.315 14.584 274 H LEU 31 HN LEU 31 112.058 -6.300 13.970 275 HA LEU 31 HA LEU 31 111.913 -4.859 11.509 276 HB2 LEU 31 HB2 LEU 31 113.945 -5.046 13.749 277 HB3 LEU 31 HB1 LEU 31 114.301 -4.114 12.294 278 HG LEU 31 HG LEU 31 111.867 -3.121 12.799 279 HD11 LEU 31 HD11 LEU 31 112.964 -3.782 15.545 280 HD12 LEU 31 HD12 LEU 31 111.617 -4.640 14.799 281 HD13 LEU 31 HD13 LEU 31 111.468 -2.926 15.189 282 HD21 LEU 31 HD21 LEU 31 113.760 -1.708 12.580 283 HD22 LEU 31 HD22 LEU 31 114.488 -2.338 14.059 284 HD23 LEU 31 HD23 LEU 31 113.041 -1.334 14.146 285 H LEU 32 HN LEU 32 114.046 -7.469 12.634 286 HA LEU 32 HA LEU 32 115.820 -7.482 10.470 287 HB2 LEU 32 HB2 LEU 32 114.826 -9.947 11.922 288 HB3 LEU 32 HB1 LEU 32 116.399 -9.712 11.151 289 HG LEU 32 HG LEU 32 115.380 -8.145 13.555 290 HD11 LEU 32 HD11 LEU 32 117.826 -9.726 13.851 291 HD12 LEU 32 HD12 LEU 32 116.425 -10.728 13.471 292 HD13 LEU 32 HD13 LEU 32 116.396 -9.667 14.879 293 HD21 LEU 32 HD21 LEU 32 116.852 -6.664 12.528 294 HD22 LEU 32 HD22 LEU 32 117.797 -7.949 11.777 295 HD23 LEU 32 HD23 LEU 32 117.986 -7.605 13.496 296 H LYS 33 HN LYS 33 112.848 -9.382 10.906 297 HA LYS 33 HA LYS 33 112.986 -10.529 8.298 298 HB2 LYS 33 HB2 LYS 33 111.836 -11.627 10.208 299 HB3 LYS 33 HB1 LYS 33 110.609 -10.360 10.171 300 HG2 LYS 33 HG2 LYS 33 110.062 -10.989 7.824 301 HG3 LYS 33 HG1 LYS 33 111.261 -12.280 7.911 302 HD2 LYS 33 HD2 LYS 33 110.011 -13.301 9.788 303 HD3 LYS 33 HD1 LYS 33 108.808 -12.015 9.673 304 HE2 LYS 33 HE2 LYS 33 108.305 -12.692 7.350 305 HE3 LYS 33 HE1 LYS 33 109.495 -13.986 7.480 306 HZ1 LYS 33 HZ1 LYS 33 107.113 -13.699 9.222 307 HZ2 LYS 33 HZ2 LYS 33 108.231 -14.977 9.245 308 HZ3 LYS 33 HZ3 LYS 33 107.221 -14.752 7.898 309 H PHE 34 HN PHE 34 110.812 -8.105 9.747 310 HA PHE 34 HA PHE 34 109.373 -7.551 7.425 311 HB2 PHE 34 HB2 PHE 34 108.700 -6.858 9.719 312 HB3 PHE 34 HB1 PHE 34 109.981 -5.646 9.699 313 HD1 PHE 34 HD1 PHE 34 109.675 -3.556 8.620 314 HD2 PHE 34 HD2 PHE 34 106.879 -6.745 7.937 315 HE1 PHE 34 HE1 PHE 34 108.179 -1.987 7.416 316 HE2 PHE 34 HE2 PHE 34 105.383 -5.175 6.733 317 HZ PHE 34 HZ PHE 34 106.033 -2.796 6.473 318 H PHE 35 HN PHE 35 112.314 -6.088 8.675 319 HA PHE 35 HA PHE 35 112.423 -4.019 6.673 320 HB2 PHE 35 HB2 PHE 35 113.507 -4.016 9.000 321 HB3 PHE 35 HB1 PHE 35 114.789 -4.992 8.266 322 HD1 PHE 35 HD1 PHE 35 113.545 -1.707 8.873 323 HD2 PHE 35 HD2 PHE 35 115.791 -4.034 6.039 324 HE1 PHE 35 HE1 PHE 35 114.523 0.373 7.924 325 HE2 PHE 35 HE2 PHE 35 116.763 -1.960 5.098 326 HZ PHE 35 HZ PHE 35 116.132 0.244 6.041 327 H ASP 36 HN ASP 36 114.019 -7.165 7.159 328 HA ASP 36 HA ASP 36 115.685 -6.987 4.861 329 HB2 ASP 36 HB2 ASP 36 116.176 -8.510 6.719 330 HB3 ASP 36 HB1 ASP 36 114.718 -9.433 6.351 331 H PHE 37 HN PHE 37 112.437 -8.205 5.422 332 HA PHE 37 HA PHE 37 112.058 -9.675 3.087 333 HB2 PHE 37 HB2 PHE 37 110.333 -8.364 5.081 334 HB3 PHE 37 HB1 PHE 37 109.593 -8.560 3.498 335 HD1 PHE 37 HD1 PHE 37 108.132 -10.389 3.661 336 HD2 PHE 37 HD2 PHE 37 112.094 -10.695 5.292 337 HE1 PHE 37 HE1 PHE 37 107.756 -12.796 4.123 338 HE2 PHE 37 HE2 PHE 37 111.717 -13.103 5.754 339 HZ PHE 37 HZ PHE 37 109.549 -14.154 5.165 340 H VAL 38 HN VAL 38 111.353 -6.250 3.697 341 HA VAL 38 HA VAL 38 110.588 -5.729 0.970 342 HB VAL 38 HB VAL 38 110.837 -3.308 1.689 343 HG11 VAL 38 HG11 VAL 38 108.857 -3.381 3.071 344 HG12 VAL 38 HG12 VAL 38 109.192 -5.039 3.559 345 HG13 VAL 38 HG13 VAL 38 108.733 -4.687 1.895 346 HG21 VAL 38 HG21 VAL 38 111.523 -4.668 4.307 347 HG22 VAL 38 HG22 VAL 38 111.138 -2.967 4.141 348 HG23 VAL 38 HG23 VAL 38 112.579 -3.623 3.376 349 H LYS 39 HN LYS 39 113.552 -5.263 2.832 350 HA LYS 39 HA LYS 39 115.022 -3.847 0.881 351 HB2 LYS 39 HB2 LYS 39 115.680 -4.161 3.290 352 HB3 LYS 39 HB1 LYS 39 116.133 -5.818 2.893 353 HG2 LYS 39 HG2 LYS 39 117.758 -5.024 1.252 354 HG3 LYS 39 HG1 LYS 39 117.270 -3.354 1.545 355 HD2 LYS 39 HD2 LYS 39 117.998 -3.544 3.891 356 HD3 LYS 39 HD1 LYS 39 118.485 -5.216 3.609 357 HE2 LYS 39 HE2 LYS 39 120.102 -4.458 1.905 358 HE3 LYS 39 HE1 LYS 39 119.618 -2.786 2.188 359 HZ1 LYS 39 HZ1 LYS 39 120.173 -3.467 4.653 360 HZ2 LYS 39 HZ2 LYS 39 121.380 -2.919 3.590 361 HZ3 LYS 39 HZ3 LYS 39 121.188 -4.583 3.878 362 H ASP 40 HN ASP 40 114.175 -7.208 1.153 363 HA ASP 40 HA ASP 40 116.178 -8.419 -0.347 364 HB2 ASP 40 HB2 ASP 40 114.300 -9.577 0.865 365 HB3 ASP 40 HB1 ASP 40 113.237 -9.122 -0.464 366 H THR 41 HN THR 41 113.039 -7.208 -1.552 367 HA THR 41 HA THR 41 114.245 -7.040 -4.248 368 HB THR 41 HB THR 41 111.803 -7.073 -4.995 369 HG1 THR 41 HG1 THR 41 110.819 -8.437 -3.028 370 HG21 THR 41 HG21 THR 41 113.218 -9.389 -3.686 371 HG22 THR 41 HG22 THR 41 113.041 -9.036 -5.405 372 HG23 THR 41 HG23 THR 41 111.657 -9.609 -4.474 373 H CYS 42 HN CYS 42 113.385 -5.186 -1.657 374 HA CYS 42 HA CYS 42 112.669 -2.991 -1.378 375 HB2 CYS 42 HB2 CYS 42 114.310 -2.373 -3.803 376 HB3 CYS 42 HB1 CYS 42 114.193 -1.499 -2.275 377 HG CYS 42 HG CYS 42 116.186 -3.668 -2.860 378 HA PRO 43 HA PRO 43 109.753 -3.015 -5.006 379 HB2 PRO 43 HB2 PRO 43 107.513 -3.915 -3.757 380 HB3 PRO 43 HB1 PRO 43 108.713 -4.998 -4.483 381 HG2 PRO 43 HG2 PRO 43 108.207 -4.366 -1.653 382 HG3 PRO 43 HG1 PRO 43 108.845 -5.841 -2.383 383 HD2 PRO 43 HD2 PRO 43 110.357 -3.833 -1.093 384 HD3 PRO 43 HD1 PRO 43 110.980 -5.162 -2.089 385 H TRP 44 HN TRP 44 109.861 -1.685 -1.871 386 HA TRP 44 HA TRP 44 107.542 0.007 -2.087 387 HB2 TRP 44 HB2 TRP 44 109.504 -0.655 -0.075 388 HB3 TRP 44 HB1 TRP 44 109.286 1.089 -0.164 389 HD1 TRP 44 HD1 TRP 44 106.956 2.090 0.499 390 HE1 TRP 44 HE1 TRP 44 104.900 1.100 1.693 391 HE3 TRP 44 HE3 TRP 44 108.087 -2.881 0.226 392 HZ2 TRP 44 HZ2 TRP 44 103.870 -1.464 2.431 393 HZ3 TRP 44 HZ3 TRP 44 106.546 -4.574 1.182 394 HH2 TRP 44 HH2 TRP 44 104.447 -3.870 2.292 395 H PHE 45 HN PHE 45 109.752 0.085 -4.162 396 HA PHE 45 HA PHE 45 110.809 1.650 -5.438 397 HB2 PHE 45 HB2 PHE 45 108.455 3.023 -4.354 398 HB3 PHE 45 HB1 PHE 45 109.706 4.048 -5.048 399 HD1 PHE 45 HD1 PHE 45 110.769 2.995 -7.326 400 HD2 PHE 45 HD2 PHE 45 106.803 2.288 -5.826 401 HE1 PHE 45 HE1 PHE 45 110.017 2.376 -9.603 402 HE2 PHE 45 HE2 PHE 45 106.052 1.679 -8.105 403 HZ PHE 45 HZ PHE 45 107.659 1.715 -9.996 404 HA PRO 46 HA PRO 46 113.381 3.030 -1.847 405 HB2 PRO 46 HB2 PRO 46 115.769 2.253 -2.921 406 HB3 PRO 46 HB1 PRO 46 114.710 1.169 -1.998 407 HG2 PRO 46 HG2 PRO 46 115.058 1.423 -4.939 408 HG3 PRO 46 HG1 PRO 46 114.841 -0.022 -3.943 409 HD2 PRO 46 HD2 PRO 46 112.848 1.093 -5.401 410 HD3 PRO 46 HD1 PRO 46 112.544 0.188 -3.905 411 H GLN 47 HN GLN 47 113.012 3.944 -5.063 412 HA GLN 47 HA GLN 47 115.174 5.896 -5.143 413 HB2 GLN 47 HB2 GLN 47 112.800 5.461 -6.980 414 HB3 GLN 47 HB1 GLN 47 114.157 6.537 -7.302 415 HG2 GLN 47 HG2 GLN 47 115.718 4.661 -7.259 416 HG3 GLN 47 HG1 GLN 47 114.413 3.554 -6.838 417 HE21 GLN 47 HE21 GLN 47 115.356 2.562 -9.003 418 HE22 GLN 47 HE22 GLN 47 114.608 3.089 -10.432 419 H GLU 48 HN GLU 48 111.605 6.084 -5.246 420 HA GLU 48 HA GLU 48 111.732 8.893 -4.369 421 HB2 GLU 48 HB2 GLU 48 109.202 8.707 -4.685 422 HB3 GLU 48 HB1 GLU 48 110.186 8.585 -6.130 423 HG2 GLU 48 HG2 GLU 48 110.050 6.139 -6.050 424 HG3 GLU 48 HG1 GLU 48 109.128 6.236 -4.553 425 H GLY 49 HN GLY 49 111.070 5.725 -3.141 426 HA2 GLY 49 HA2 GLY 49 110.611 4.977 -1.008 427 HA3 GLY 49 HA1 GLY 49 110.991 6.599 -0.433 428 H THR 50 HN THR 50 108.429 4.737 -2.066 429 HA THR 50 HA THR 50 106.430 6.208 -0.487 430 HB THR 50 HB THR 50 106.662 7.288 -2.753 431 HG1 THR 50 HG1 THR 50 104.567 6.702 -1.426 432 HG21 THR 50 HG21 THR 50 105.967 6.084 -4.721 433 HG22 THR 50 HG22 THR 50 105.486 4.676 -3.764 434 HG23 THR 50 HG23 THR 50 107.198 5.101 -3.921 435 H ILE 51 HN ILE 51 104.221 5.171 -0.762 436 HA ILE 51 HA ILE 51 104.554 2.280 -0.520 437 HB ILE 51 HB ILE 51 101.923 3.657 -0.178 438 HG12 ILE 51 HG12 ILE 51 104.339 3.902 1.615 439 HG13 ILE 51 HG11 ILE 51 103.277 5.183 1.027 440 HG21 ILE 51 HG21 ILE 51 102.506 1.119 0.089 441 HG22 ILE 51 HG22 ILE 51 101.504 1.898 1.312 442 HG23 ILE 51 HG23 ILE 51 103.211 1.625 1.623 443 HD11 ILE 51 HD11 ILE 51 102.809 3.196 3.210 444 HD12 ILE 51 HD12 ILE 51 101.429 3.821 2.310 445 HD13 ILE 51 HD13 ILE 51 102.482 4.929 3.186 446 H ASP 52 HN ASP 52 103.501 0.768 -1.832 447 HA ASP 52 HA ASP 52 101.892 1.786 -4.069 448 HB2 ASP 52 HB2 ASP 52 104.235 1.581 -4.866 449 HB3 ASP 52 HB1 ASP 52 104.234 -0.099 -4.352 450 H ILE 53 HN ILE 53 100.066 0.697 -4.077 451 HA ILE 53 HA ILE 53 99.683 -1.721 -2.595 452 HB ILE 53 HB ILE 53 97.809 -0.505 -4.633 453 HG12 ILE 53 HG12 ILE 53 98.457 1.223 -3.030 454 HG13 ILE 53 HG11 ILE 53 96.825 0.694 -2.636 455 HG21 ILE 53 HG21 ILE 53 97.276 -2.801 -3.818 456 HG22 ILE 53 HG22 ILE 53 96.087 -1.623 -3.272 457 HG23 ILE 53 HG23 ILE 53 97.324 -2.208 -2.159 458 HD11 ILE 53 HD11 ILE 53 98.080 -1.010 -1.038 459 HD12 ILE 53 HD12 ILE 53 97.864 0.656 -0.530 460 HD13 ILE 53 HD13 ILE 53 99.411 0.132 -1.195 461 H LYS 54 HN LYS 54 99.985 -0.939 -6.016 462 HA LYS 54 HA LYS 54 99.316 -3.483 -7.030 463 HB2 LYS 54 HB2 LYS 54 101.099 -1.316 -8.174 464 HB3 LYS 54 HB1 LYS 54 100.556 -2.734 -9.067 465 HG2 LYS 54 HG2 LYS 54 98.197 -2.079 -8.644 466 HG3 LYS 54 HG1 LYS 54 98.766 -0.630 -7.815 467 HD2 LYS 54 HD2 LYS 54 99.912 0.101 -9.881 468 HD3 LYS 54 HD1 LYS 54 99.322 -1.339 -10.711 469 HE2 LYS 54 HE2 LYS 54 96.992 -0.627 -10.282 470 HE3 LYS 54 HE1 LYS 54 97.590 0.824 -9.478 471 HZ1 LYS 54 HZ1 LYS 54 98.899 1.024 -11.747 472 HZ2 LYS 54 HZ2 LYS 54 97.331 1.647 -11.553 473 HZ3 LYS 54 HZ3 LYS 54 97.565 0.147 -12.315 474 H ARG 55 HN ARG 55 102.543 -2.029 -6.576 475 HA ARG 55 HA ARG 55 103.985 -4.382 -7.158 476 HB2 ARG 55 HB2 ARG 55 104.702 -1.883 -5.662 477 HB3 ARG 55 HB1 ARG 55 105.849 -3.191 -5.877 478 HG2 ARG 55 HG2 ARG 55 105.579 -3.025 -8.314 479 HG3 ARG 55 HG1 ARG 55 104.398 -1.735 -8.108 480 HD2 ARG 55 HD2 ARG 55 106.118 -0.359 -6.977 481 HD3 ARG 55 HD1 ARG 55 107.295 -1.642 -7.219 482 HE ARG 55 HE ARG 55 106.268 0.175 -9.253 483 HH11 ARG 55 HH11 ARG 55 107.338 0.048 -11.253 484 HH12 ARG 55 HH12 ARG 55 108.418 -1.268 -11.569 485 HH21 ARG 55 HH21 ARG 55 107.939 -2.754 -8.474 486 HH22 ARG 55 HH22 ARG 55 108.758 -2.854 -9.996 487 H TRP 56 HN TRP 56 102.608 -3.128 -4.183 488 HA TRP 56 HA TRP 56 103.906 -4.743 -2.335 489 HB2 TRP 56 HB2 TRP 56 102.610 -3.024 -1.430 490 HB3 TRP 56 HB1 TRP 56 101.194 -3.477 -2.377 491 HD1 TRP 56 HD1 TRP 56 99.428 -4.586 -0.955 492 HE1 TRP 56 HE1 TRP 56 99.403 -6.161 1.088 493 HE3 TRP 56 HE3 TRP 56 104.450 -5.079 -0.151 494 HZ2 TRP 56 HZ2 TRP 56 101.267 -7.457 2.827 495 HZ3 TRP 56 HZ3 TRP 56 105.295 -6.490 1.692 496 HH2 TRP 56 HH2 TRP 56 103.720 -7.681 3.178 497 H ARG 57 HN ARG 57 101.173 -5.399 -4.438 498 HA ARG 57 HA ARG 57 100.428 -7.884 -3.267 499 HB2 ARG 57 HB2 ARG 57 98.913 -6.595 -4.730 500 HB3 ARG 57 HB1 ARG 57 99.994 -6.889 -6.094 501 HG2 ARG 57 HG2 ARG 57 99.641 -9.304 -5.882 502 HG3 ARG 57 HG1 ARG 57 98.628 -9.051 -4.459 503 HD2 ARG 57 HD2 ARG 57 97.116 -7.640 -5.911 504 HD3 ARG 57 HD1 ARG 57 98.070 -8.156 -7.298 505 HE ARG 57 HE ARG 57 96.187 -9.779 -5.784 506 HH11 ARG 57 HH11 ARG 57 95.766 -11.823 -6.678 507 HH12 ARG 57 HH12 ARG 57 96.777 -12.433 -7.945 508 HH21 ARG 57 HH21 ARG 57 98.827 -9.638 -8.017 509 HH22 ARG 57 HH22 ARG 57 98.510 -11.196 -8.702 510 H ARG 58 HN ARG 58 102.583 -6.962 -5.929 511 HA ARG 58 HA ARG 58 103.161 -9.536 -6.898 512 HB2 ARG 58 HB2 ARG 58 104.781 -6.993 -6.815 513 HB3 ARG 58 HB1 ARG 58 105.377 -8.460 -7.591 514 HG2 ARG 58 HG2 ARG 58 103.395 -8.503 -9.053 515 HG3 ARG 58 HG1 ARG 58 102.766 -7.060 -8.256 516 HD2 ARG 58 HD2 ARG 58 104.708 -5.768 -9.005 517 HD3 ARG 58 HD1 ARG 58 105.404 -7.208 -9.742 518 HE ARG 58 HE ARG 58 103.877 -7.002 -11.503 519 HH11 ARG 58 HH11 ARG 58 102.344 -5.809 -12.681 520 HH12 ARG 58 HH12 ARG 58 101.522 -4.483 -11.928 521 HH21 ARG 58 HH21 ARG 58 103.147 -4.858 -8.887 522 HH22 ARG 58 HH22 ARG 58 101.977 -3.945 -9.781 523 H VAL 59 HN VAL 59 104.913 -7.620 -4.462 524 HA VAL 59 HA VAL 59 106.829 -9.632 -3.840 525 HB VAL 59 HB VAL 59 107.284 -7.351 -3.213 526 HG11 VAL 59 HG11 VAL 59 104.864 -7.505 -1.394 527 HG12 VAL 59 HG12 VAL 59 104.882 -6.710 -2.964 528 HG13 VAL 59 HG13 VAL 59 105.899 -6.103 -1.669 529 HG21 VAL 59 HG21 VAL 59 106.716 -8.386 -0.492 530 HG22 VAL 59 HG22 VAL 59 108.245 -7.847 -1.202 531 HG23 VAL 59 HG23 VAL 59 107.641 -9.470 -1.540 532 H GLY 60 HN GLY 60 103.624 -8.885 -2.562 533 HA2 GLY 60 HA2 GLY 60 103.694 -10.599 -0.314 534 HA3 GLY 60 HA1 GLY 60 102.237 -10.047 -1.137 535 H ASP 61 HN ASP 61 102.566 -11.128 -3.650 536 HA ASP 61 HA ASP 61 101.797 -13.845 -3.208 537 HB2 ASP 61 HB2 ASP 61 102.211 -12.120 -5.635 538 HB3 ASP 61 HB1 ASP 61 101.969 -13.856 -5.810 539 H CYS 62 HN CYS 62 104.685 -12.272 -4.477 540 HA CYS 62 HA CYS 62 106.041 -14.561 -5.370 541 HB2 CYS 62 HB2 CYS 62 107.138 -11.971 -4.267 542 HB3 CYS 62 HB1 CYS 62 108.103 -13.196 -5.091 543 HG CYS 62 HG CYS 62 107.299 -11.446 -6.882 544 H PHE 63 HN PHE 63 105.817 -13.079 -2.174 545 HA PHE 63 HA PHE 63 107.724 -14.936 -1.017 546 HB2 PHE 63 HB2 PHE 63 106.168 -12.581 -0.064 547 HB3 PHE 63 HB1 PHE 63 106.699 -13.760 1.134 548 HD1 PHE 63 HD1 PHE 63 108.860 -13.586 2.012 549 HD2 PHE 63 HD2 PHE 63 108.003 -11.845 -1.820 550 HE1 PHE 63 HE1 PHE 63 111.147 -12.634 1.931 551 HE2 PHE 63 HE2 PHE 63 110.289 -10.892 -1.901 552 HZ PHE 63 HZ PHE 63 111.863 -11.287 -0.025 553 H GLN 64 HN GLN 64 104.234 -14.420 -1.053 554 HA GLN 64 HA GLN 64 103.554 -16.357 0.878 555 HB2 GLN 64 HB2 GLN 64 101.973 -14.641 0.094 556 HB3 GLN 64 HB1 GLN 64 101.946 -15.403 -1.495 557 HG2 GLN 64 HG2 GLN 64 100.982 -17.416 -0.596 558 HG3 GLN 64 HG1 GLN 64 101.185 -16.840 1.057 559 HE21 GLN 64 HE21 GLN 64 99.307 -15.975 1.929 560 HE22 GLN 64 HE22 GLN 64 98.057 -15.255 1.034 561 H ASP 65 HN ASP 65 103.939 -16.563 -2.627 562 HA ASP 65 HA ASP 65 103.114 -19.285 -2.833 563 HB2 ASP 65 HB2 ASP 65 103.665 -19.125 -5.082 564 HB3 ASP 65 HB1 ASP 65 103.376 -17.434 -4.664 565 H TYR 66 HN TYR 66 106.296 -17.703 -2.623 566 HA TYR 66 HA TYR 66 107.814 -20.097 -2.817 567 HB2 TYR 66 HB2 TYR 66 108.829 -17.934 -3.250 568 HB3 TYR 66 HB1 TYR 66 108.506 -17.425 -1.594 569 HD1 TYR 66 HD1 TYR 66 110.269 -17.593 -0.077 570 HD2 TYR 66 HD2 TYR 66 110.076 -20.334 -3.381 571 HE1 TYR 66 HE1 TYR 66 112.400 -18.627 0.654 572 HE2 TYR 66 HE2 TYR 66 112.208 -21.365 -2.649 573 HH TYR 66 HH TYR 66 113.491 -21.010 0.332 574 H TYR 67 HN TYR 67 106.629 -18.221 -0.061 575 HA TYR 67 HA TYR 67 107.838 -19.823 1.940 576 HB2 TYR 67 HB2 TYR 67 107.044 -17.540 2.393 577 HB3 TYR 67 HB1 TYR 67 105.387 -18.056 2.111 578 HD1 TYR 67 HD1 TYR 67 108.380 -19.134 4.112 579 HD2 TYR 67 HD2 TYR 67 104.118 -18.607 3.988 580 HE1 TYR 67 HE1 TYR 67 108.218 -19.882 6.469 581 HE2 TYR 67 HE2 TYR 67 103.959 -19.356 6.343 582 HH TYR 67 HH TYR 67 106.213 -19.340 8.436 583 H ASN 68 HN ASN 68 104.702 -19.917 0.329 584 HA ASN 68 HA ASN 68 103.464 -21.818 1.978 585 HB2 ASN 68 HB2 ASN 68 103.083 -21.039 -0.905 586 HB3 ASN 68 HB1 ASN 68 102.119 -22.315 -0.166 587 HD21 ASN 68 HD21 ASN 68 100.821 -19.972 -1.044 588 HD22 ASN 68 HD22 ASN 68 100.306 -19.077 0.304 589 H THR 69 HN THR 69 105.496 -22.198 -0.891 590 HA THR 69 HA THR 69 105.212 -24.892 -1.408 591 HB THR 69 HB THR 69 107.516 -24.846 -2.282 592 HG1 THR 69 HG1 THR 69 108.678 -23.712 -0.872 593 HG21 THR 69 HG21 THR 69 106.584 -23.749 -4.003 594 HG22 THR 69 HG22 THR 69 106.971 -22.226 -3.212 595 HG23 THR 69 HG23 THR 69 105.411 -22.991 -2.928 596 H PHE 70 HN PHE 70 106.666 -23.418 1.348 597 HA PHE 70 HA PHE 70 108.003 -25.851 2.176 598 HB2 PHE 70 HB2 PHE 70 107.658 -23.150 3.491 599 HB3 PHE 70 HB1 PHE 70 108.517 -24.492 4.247 600 HD1 PHE 70 HD1 PHE 70 110.634 -25.321 3.327 601 HD2 PHE 70 HD2 PHE 70 108.571 -22.003 1.550 602 HE1 PHE 70 HE1 PHE 70 112.671 -24.748 2.033 603 HE2 PHE 70 HE2 PHE 70 110.603 -21.433 0.251 604 HZ PHE 70 HZ PHE 70 112.656 -22.804 0.494 605 H GLY 71 HN GLY 71 104.942 -25.390 1.915 606 HA2 GLY 71 HA2 GLY 71 103.010 -25.844 3.119 607 HA3 GLY 71 HA1 GLY 71 103.942 -27.257 3.603 608 HA PRO 72 HA PRO 72 104.702 -24.233 7.182 609 HB2 PRO 72 HB2 PRO 72 103.960 -21.624 6.951 610 HB3 PRO 72 HB1 PRO 72 105.511 -22.242 6.351 611 HG2 PRO 72 HG2 PRO 72 103.062 -21.518 4.858 612 HG3 PRO 72 HG1 PRO 72 104.755 -21.427 4.374 613 HD2 PRO 72 HD2 PRO 72 102.963 -23.433 3.603 614 HD3 PRO 72 HD1 PRO 72 104.727 -23.490 3.469 615 H GLU 73 HN GLU 73 103.393 -24.520 8.903 616 HA GLU 73 HA GLU 73 100.503 -24.406 8.531 617 HB2 GLU 73 HB2 GLU 73 101.654 -26.318 9.708 618 HB3 GLU 73 HB1 GLU 73 102.042 -25.195 11.011 619 HG2 GLU 73 HG2 GLU 73 100.011 -26.283 11.657 620 HG3 GLU 73 HG1 GLU 73 99.549 -24.670 11.130 621 H LYS 74 HN LYS 74 103.070 -22.661 10.128 622 HA LYS 74 HA LYS 74 101.507 -21.202 11.971 623 HB2 LYS 74 HB2 LYS 74 103.994 -20.108 10.668 624 HB3 LYS 74 HB1 LYS 74 103.416 -19.871 12.321 625 HG2 LYS 74 HG2 LYS 74 104.528 -22.428 11.115 626 HG3 LYS 74 HG1 LYS 74 105.256 -21.459 12.395 627 HD2 LYS 74 HD2 LYS 74 103.114 -21.901 13.738 628 HD3 LYS 74 HD1 LYS 74 102.733 -23.123 12.521 629 HE2 LYS 74 HE2 LYS 74 104.739 -24.353 13.010 630 HE3 LYS 74 HE1 LYS 74 105.340 -23.071 14.060 631 HZ1 LYS 74 HZ1 LYS 74 104.079 -23.755 15.746 632 HZ2 LYS 74 HZ2 LYS 74 103.934 -25.213 14.888 633 HZ3 LYS 74 HZ3 LYS 74 102.721 -24.031 14.767 634 H VAL 75 HN VAL 75 102.597 -20.424 8.674 635 HA VAL 75 HA VAL 75 102.110 -18.482 7.443 636 HB VAL 75 HB VAL 75 99.480 -19.858 7.855 637 HG11 VAL 75 HG11 VAL 75 100.354 -17.556 6.190 638 HG12 VAL 75 HG12 VAL 75 98.753 -17.949 6.817 639 HG13 VAL 75 HG13 VAL 75 99.367 -18.774 5.384 640 HG21 VAL 75 HG21 VAL 75 101.268 -20.071 5.449 641 HG22 VAL 75 HG22 VAL 75 100.101 -21.239 6.078 642 HG23 VAL 75 HG23 VAL 75 101.652 -21.015 6.889 643 HA PRO 76 HA PRO 76 100.859 -15.803 11.031 644 HB2 PRO 76 HB2 PRO 76 102.419 -13.902 9.338 645 HB3 PRO 76 HB1 PRO 76 102.514 -14.188 11.086 646 HG2 PRO 76 HG2 PRO 76 104.399 -15.087 9.445 647 HG3 PRO 76 HG1 PRO 76 103.861 -16.046 10.838 648 HD2 PRO 76 HD2 PRO 76 103.223 -16.396 7.940 649 HD3 PRO 76 HD1 PRO 76 103.480 -17.635 9.200 650 H VAL 77 HN VAL 77 98.909 -14.893 10.977 651 HA VAL 77 HA VAL 77 97.692 -14.094 8.459 652 HB VAL 77 HB VAL 77 96.613 -14.053 11.282 653 HG11 VAL 77 HG11 VAL 77 95.409 -13.400 8.603 654 HG12 VAL 77 HG12 VAL 77 95.314 -12.489 10.110 655 HG13 VAL 77 HG13 VAL 77 94.403 -13.988 9.927 656 HG21 VAL 77 HG21 VAL 77 95.437 -15.907 9.332 657 HG22 VAL 77 HG22 VAL 77 96.037 -16.250 10.953 658 HG23 VAL 77 HG23 VAL 77 97.153 -16.236 9.584 659 H THR 78 HN THR 78 99.405 -12.595 10.996 660 HA THR 78 HA THR 78 98.321 -10.069 11.200 661 HB THR 78 HB THR 78 100.489 -9.308 11.875 662 HG1 THR 78 HG1 THR 78 102.071 -11.321 11.278 663 HG21 THR 78 HG21 THR 78 101.063 -10.938 13.507 664 HG22 THR 78 HG22 THR 78 100.532 -12.268 12.477 665 HG23 THR 78 HG23 THR 78 99.343 -11.187 13.206 666 H ALA 79 HN ALA 79 99.945 -11.519 8.491 667 HA ALA 79 HA ALA 79 100.790 -9.289 7.069 668 HB1 ALA 79 HB1 ALA 79 99.849 -10.963 5.103 669 HB2 ALA 79 HB2 ALA 79 100.092 -12.071 6.457 670 HB3 ALA 79 HB3 ALA 79 101.435 -11.087 5.866 671 H PHE 80 HN PHE 80 97.581 -10.497 7.648 672 HA PHE 80 HA PHE 80 96.273 -9.097 5.525 673 HB2 PHE 80 HB2 PHE 80 95.330 -11.091 6.716 674 HB3 PHE 80 HB1 PHE 80 95.068 -10.062 8.123 675 HD1 PHE 80 HD1 PHE 80 93.001 -9.000 8.335 676 HD2 PHE 80 HD2 PHE 80 94.426 -10.057 4.422 677 HE1 PHE 80 HE1 PHE 80 90.882 -8.185 7.344 678 HE2 PHE 80 HE2 PHE 80 92.304 -9.240 3.431 679 HZ PHE 80 HZ PHE 80 90.533 -8.304 4.892 680 H SER 81 HN SER 81 97.125 -8.334 8.852 681 HA SER 81 HA SER 81 95.508 -6.001 9.078 682 HB2 SER 81 HB2 SER 81 96.406 -7.208 11.036 683 HB3 SER 81 HB1 SER 81 98.038 -6.748 10.562 684 HG SER 81 HG SER 81 96.642 -4.542 10.542 685 H TYR 82 HN TYR 82 98.886 -6.572 8.153 686 HA TYR 82 HA TYR 82 99.725 -3.911 7.975 687 HB2 TYR 82 HB2 TYR 82 100.597 -6.496 6.832 688 HB3 TYR 82 HB1 TYR 82 101.154 -5.060 5.987 689 HD1 TYR 82 HD1 TYR 82 102.488 -3.339 7.177 690 HD2 TYR 82 HD2 TYR 82 101.389 -7.048 9.045 691 HE1 TYR 82 HE1 TYR 82 104.194 -2.958 8.939 692 HE2 TYR 82 HE2 TYR 82 103.092 -6.666 10.807 693 HH TYR 82 HH TYR 82 105.335 -5.295 10.928 694 H TRP 83 HN TRP 83 98.478 -6.020 5.373 695 HA TRP 83 HA TRP 83 98.467 -4.081 3.353 696 HB2 TRP 83 HB2 TRP 83 98.179 -6.340 2.695 697 HB3 TRP 83 HB1 TRP 83 96.810 -6.564 3.784 698 HD1 TRP 83 HD1 TRP 83 97.745 -4.478 0.666 699 HE1 TRP 83 HE1 TRP 83 95.603 -4.099 -0.718 700 HE3 TRP 83 HE3 TRP 83 94.313 -6.692 3.730 701 HZ2 TRP 83 HZ2 TRP 83 92.803 -4.662 -0.547 702 HZ3 TRP 83 HZ3 TRP 83 91.918 -6.756 3.097 703 HH2 TRP 83 HH2 TRP 83 91.160 -5.744 0.964 704 H ASN 84 HN ASN 84 96.017 -4.897 5.763 705 HA ASN 84 HA ASN 84 93.956 -3.282 4.710 706 HB2 ASN 84 HB2 ASN 84 94.541 -4.474 7.406 707 HB3 ASN 84 HB1 ASN 84 93.214 -3.327 7.230 708 HD21 ASN 84 HD21 ASN 84 92.180 -4.010 4.718 709 HD22 ASN 84 HD22 ASN 84 91.618 -5.611 4.747 710 H LEU 85 HN LEU 85 96.397 -2.605 7.223 711 HA LEU 85 HA LEU 85 95.487 0.015 7.728 712 HB2 LEU 85 HB2 LEU 85 96.842 -1.227 9.349 713 HB3 LEU 85 HB1 LEU 85 98.196 -1.240 8.220 714 HG LEU 85 HG LEU 85 98.247 1.241 8.257 715 HD11 LEU 85 HD11 LEU 85 96.115 2.016 8.750 716 HD12 LEU 85 HD12 LEU 85 96.870 2.163 10.336 717 HD13 LEU 85 HD13 LEU 85 95.834 0.782 9.978 718 HD21 LEU 85 HD21 LEU 85 98.238 0.324 11.126 719 HD22 LEU 85 HD22 LEU 85 99.364 1.404 10.311 720 HD23 LEU 85 HD23 LEU 85 99.412 -0.328 9.986 721 H ILE 86 HN ILE 86 98.228 -1.241 5.837 722 HA ILE 86 HA ILE 86 99.150 1.240 4.912 723 HB ILE 86 HB ILE 86 99.624 -1.575 4.285 724 HG12 ILE 86 HG12 ILE 86 101.573 0.671 3.886 725 HG13 ILE 86 HG11 ILE 86 101.056 0.296 5.531 726 HG21 ILE 86 HG21 ILE 86 100.724 -0.977 2.087 727 HG22 ILE 86 HG22 ILE 86 99.836 0.528 2.129 728 HG23 ILE 86 HG23 ILE 86 98.965 -1.006 2.051 729 HD11 ILE 86 HD11 ILE 86 101.964 -1.908 3.700 730 HD12 ILE 86 HD12 ILE 86 101.945 -1.859 5.462 731 HD13 ILE 86 HD13 ILE 86 103.144 -0.924 4.571 732 H LYS 87 HN LYS 87 96.725 -0.971 3.660 733 HA LYS 87 HA LYS 87 96.323 0.115 1.141 734 HB2 LYS 87 HB2 LYS 87 95.144 -1.862 1.577 735 HB3 LYS 87 HB1 LYS 87 94.495 -1.255 3.101 736 HG2 LYS 87 HG2 LYS 87 92.989 0.248 1.957 737 HG3 LYS 87 HG1 LYS 87 93.771 -0.083 0.399 738 HD2 LYS 87 HD2 LYS 87 93.031 -2.451 0.586 739 HD3 LYS 87 HD1 LYS 87 92.219 -2.057 2.102 740 HE2 LYS 87 HE2 LYS 87 90.767 -0.461 0.959 741 HE3 LYS 87 HE1 LYS 87 91.626 -0.728 -0.559 742 HZ1 LYS 87 HZ1 LYS 87 90.914 -3.230 0.297 743 HZ2 LYS 87 HZ2 LYS 87 90.169 -2.338 -0.943 744 HZ3 LYS 87 HZ3 LYS 87 89.554 -2.276 0.640 745 H GLU 88 HN GLU 88 94.780 1.055 4.244 746 HA GLU 88 HA GLU 88 93.446 3.266 2.958 747 HB2 GLU 88 HB2 GLU 88 92.179 3.396 4.873 748 HB3 GLU 88 HB1 GLU 88 92.723 1.722 5.002 749 HG2 GLU 88 HG2 GLU 88 93.209 2.568 7.121 750 HG3 GLU 88 HG1 GLU 88 94.744 2.706 6.293 751 H LEU 89 HN LEU 89 96.432 2.680 4.503 752 HA LEU 89 HA LEU 89 96.893 5.092 5.783 753 HB2 LEU 89 HB2 LEU 89 98.341 3.050 5.920 754 HB3 LEU 89 HB1 LEU 89 98.967 3.429 4.334 755 HG LEU 89 HG LEU 89 99.717 5.606 5.214 756 HD11 LEU 89 HD11 LEU 89 99.856 5.458 7.891 757 HD12 LEU 89 HD12 LEU 89 98.357 4.569 7.641 758 HD13 LEU 89 HD13 LEU 89 98.504 6.226 7.063 759 HD21 LEU 89 HD21 LEU 89 101.628 4.452 5.409 760 HD22 LEU 89 HD22 LEU 89 100.757 3.004 5.915 761 HD23 LEU 89 HD23 LEU 89 101.219 4.218 7.108 762 H ILE 90 HN ILE 90 97.421 4.141 2.427 763 HA ILE 90 HA ILE 90 98.793 6.438 1.592 764 HB ILE 90 HB ILE 90 96.981 4.542 0.055 765 HG12 ILE 90 HG12 ILE 90 99.987 4.823 0.356 766 HG13 ILE 90 HG11 ILE 90 98.998 3.526 0.987 767 HG21 ILE 90 HG21 ILE 90 98.094 5.529 -1.975 768 HG22 ILE 90 HG22 ILE 90 98.821 6.758 -0.943 769 HG23 ILE 90 HG23 ILE 90 97.073 6.683 -1.146 770 HD11 ILE 90 HD11 ILE 90 99.960 2.700 -1.068 771 HD12 ILE 90 HD12 ILE 90 99.527 4.172 -1.924 772 HD13 ILE 90 HD13 ILE 90 98.267 3.054 -1.408 773 H ASP 91 HN ASP 91 95.320 5.699 1.717 774 HA ASP 91 HA ASP 91 94.311 7.928 0.398 775 HB2 ASP 91 HB2 ASP 91 93.267 6.157 2.582 776 HB3 ASP 91 HB1 ASP 91 92.357 7.593 2.132 777 H LYS 92 HN LYS 92 95.318 7.585 3.765 778 HA LYS 92 HA LYS 92 94.462 10.153 4.614 779 HB2 LYS 92 HB2 LYS 92 96.516 8.214 5.663 780 HB3 LYS 92 HB1 LYS 92 96.221 9.769 6.440 781 HG2 LYS 92 HG2 LYS 92 93.804 9.165 6.633 782 HG3 LYS 92 HG1 LYS 92 94.177 7.581 5.954 783 HD2 LYS 92 HD2 LYS 92 95.692 7.105 7.820 784 HD3 LYS 92 HD1 LYS 92 95.408 8.715 8.481 785 HE2 LYS 92 HE2 LYS 92 93.025 8.195 8.778 786 HE3 LYS 92 HE1 LYS 92 93.279 6.598 8.095 787 HZ1 LYS 92 HZ1 LYS 92 94.989 6.296 9.910 788 HZ2 LYS 92 HZ2 LYS 92 93.360 6.302 10.395 789 HZ3 LYS 92 HZ3 LYS 92 94.326 7.679 10.634 790 H LYS 93 HN LYS 93 95.548 12.093 4.775 791 HA LYS 93 HA LYS 93 97.458 12.670 2.750 792 HB2 LYS 93 HB2 LYS 93 97.496 14.917 3.707 793 HB3 LYS 93 HB1 LYS 93 95.835 14.332 3.602 794 HG2 LYS 93 HG2 LYS 93 95.991 13.612 5.996 795 HG3 LYS 93 HG1 LYS 93 97.589 14.354 6.078 796 HD2 LYS 93 HD2 LYS 93 96.614 16.535 5.462 797 HD3 LYS 93 HD1 LYS 93 95.014 15.796 5.398 798 HE2 LYS 93 HE2 LYS 93 95.183 15.185 7.776 799 HE3 LYS 93 HE1 LYS 93 96.795 15.898 7.850 800 HZ1 LYS 93 HZ1 LYS 93 94.207 17.264 7.419 801 HZ2 LYS 93 HZ2 LYS 93 95.688 18.006 7.040 802 HZ3 LYS 93 HZ3 LYS 93 95.352 17.540 8.640 803 H GLU 94 HN GLU 94 97.973 10.866 5.332 804 HA GLU 94 HA GLU 94 100.283 12.056 6.528 805 HB2 GLU 94 HB2 GLU 94 98.799 10.300 7.589 806 HB3 GLU 94 HB1 GLU 94 99.556 9.125 6.514 807 HG2 GLU 94 HG2 GLU 94 101.754 9.615 7.448 808 HG3 GLU 94 HG1 GLU 94 101.086 10.917 8.421 809 H VAL 95 HN VAL 95 100.847 12.403 3.973 810 HA VAL 95 HA VAL 95 102.661 10.209 3.179 811 HB VAL 95 HB VAL 95 102.418 10.882 0.946 812 HG11 VAL 95 HG11 VAL 95 100.005 11.052 0.579 813 HG12 VAL 95 HG12 VAL 95 99.762 11.505 2.265 814 HG13 VAL 95 HG13 VAL 95 100.352 9.892 1.861 815 HG21 VAL 95 HG21 VAL 95 102.859 13.221 1.045 816 HG22 VAL 95 HG22 VAL 95 101.520 13.510 2.149 817 HG23 VAL 95 HG23 VAL 95 101.202 13.118 0.460 818 H ASN 96 HN ASN 96 104.811 10.594 2.847 819 HA ASN 96 HA ASN 96 105.874 12.973 4.079 820 HB2 ASN 96 HB2 ASN 96 107.883 11.315 2.834 821 HB3 ASN 96 HB1 ASN 96 107.613 11.636 4.550 822 HD21 ASN 96 HD21 ASN 96 105.122 10.484 5.002 823 HD22 ASN 96 HD22 ASN 96 105.194 8.818 4.683 824 HA PRO 97 HA PRO 97 107.127 15.497 0.701 825 HB2 PRO 97 HB2 PRO 97 109.970 14.701 1.084 826 HB3 PRO 97 HB1 PRO 97 109.255 16.323 1.007 827 HG2 PRO 97 HG2 PRO 97 110.026 15.246 3.317 828 HG3 PRO 97 HG1 PRO 97 108.593 16.281 3.204 829 HD2 PRO 97 HD2 PRO 97 108.773 13.346 3.556 830 HD3 PRO 97 HD1 PRO 97 107.521 14.478 4.102 831 H GLN 98 HN GLN 98 107.935 12.179 0.752 832 HA GLN 98 HA GLN 98 109.263 11.671 -1.593 833 HB2 GLN 98 HB2 GLN 98 108.420 9.513 -1.479 834 HB3 GLN 98 HB1 GLN 98 108.207 10.073 0.172 835 HG2 GLN 98 HG2 GLN 98 105.875 10.859 -0.637 836 HG3 GLN 98 HG1 GLN 98 106.152 9.790 -2.016 837 HE21 GLN 98 HE21 GLN 98 107.387 9.029 1.229 838 HE22 GLN 98 HE22 GLN 98 106.367 7.706 1.490 839 H VAL 99 HN VAL 99 106.296 13.277 -1.274 840 HA VAL 99 HA VAL 99 104.934 12.525 -3.612 841 HB VAL 99 HB VAL 99 105.020 15.175 -2.151 842 HG11 VAL 99 HG11 VAL 99 102.608 15.076 -3.425 843 HG12 VAL 99 HG12 VAL 99 103.647 14.298 -4.619 844 HG13 VAL 99 HG13 VAL 99 104.018 15.928 -4.055 845 HG21 VAL 99 HG21 VAL 99 102.878 14.375 -1.216 846 HG22 VAL 99 HG22 VAL 99 104.191 13.253 -0.846 847 HG23 VAL 99 HG23 VAL 99 103.042 12.873 -2.128 848 H MET 100 HN MET 100 107.252 15.192 -3.082 849 HA MET 100 HA MET 100 107.253 16.121 -5.753 850 HB2 MET 100 HB2 MET 100 108.116 17.437 -3.849 851 HB3 MET 100 HB1 MET 100 109.459 16.304 -3.689 852 HG2 MET 100 HG2 MET 100 110.256 16.858 -5.922 853 HG3 MET 100 HG1 MET 100 108.853 17.887 -6.202 854 HE1 MET 100 HE1 MET 100 111.034 17.752 -2.693 855 HE2 MET 100 HE2 MET 100 112.429 18.490 -3.475 856 HE3 MET 100 HE3 MET 100 111.746 17.003 -4.128 857 H ALA 101 HN ALA 101 109.368 13.819 -4.047 858 HA ALA 101 HA ALA 101 110.991 13.311 -6.347 859 HB1 ALA 101 HB1 ALA 101 110.802 12.349 -3.540 860 HB2 ALA 101 HB2 ALA 101 112.235 12.732 -4.507 861 HB3 ALA 101 HB3 ALA 101 111.429 11.173 -4.705 862 H ALA 102 HN ALA 102 107.928 12.339 -5.397 863 HA ALA 102 HA ALA 102 108.026 9.758 -6.786 864 HB1 ALA 102 HB1 ALA 102 106.800 9.680 -4.746 865 HB2 ALA 102 HB2 ALA 102 105.608 9.616 -6.055 866 HB3 ALA 102 HB3 ALA 102 105.875 11.121 -5.183 867 H VAL 103 HN VAL 103 106.885 13.011 -7.227 868 HA VAL 103 HA VAL 103 104.999 12.608 -9.265 869 HB VAL 103 HB VAL 103 106.848 14.923 -8.672 870 HG11 VAL 103 HG11 VAL 103 104.967 16.081 -10.153 871 HG12 VAL 103 HG12 VAL 103 104.876 14.476 -10.880 872 HG13 VAL 103 HG13 VAL 103 106.396 15.369 -10.902 873 HG21 VAL 103 HG21 VAL 103 103.939 15.232 -8.439 874 HG22 VAL 103 HG22 VAL 103 105.204 15.621 -7.273 875 HG23 VAL 103 HG23 VAL 103 104.582 13.973 -7.383 876 H ALA 104 HN ALA 104 108.520 13.161 -9.453 877 HA ALA 104 HA ALA 104 108.758 13.213 -12.233 878 HB1 ALA 104 HB1 ALA 104 110.595 12.527 -9.969 879 HB2 ALA 104 HB2 ALA 104 110.710 13.836 -11.146 880 HB3 ALA 104 HB3 ALA 104 111.113 12.186 -11.620 881 H GLN 105 HN GLN 105 108.625 10.496 -9.978 882 HA GLN 105 HA GLN 105 109.307 8.467 -11.844 883 HB2 GLN 105 HB2 GLN 105 107.615 8.264 -9.339 884 HB3 GLN 105 HB1 GLN 105 108.380 6.920 -10.191 885 HG2 GLN 105 HG2 GLN 105 109.875 9.265 -8.987 886 HG3 GLN 105 HG1 GLN 105 109.708 7.684 -8.226 887 HE21 GLN 105 HE21 GLN 105 111.967 9.392 -9.818 888 HE22 GLN 105 HE22 GLN 105 112.740 8.157 -10.689 889 H THR 106 HN THR 106 106.232 9.910 -10.852 890 HA THR 106 HA THR 106 104.553 8.123 -12.276 891 HB THR 106 HB THR 106 103.998 11.006 -11.545 892 HG1 THR 106 HG1 THR 106 104.119 8.642 -10.087 893 HG21 THR 106 HG21 THR 106 101.635 10.062 -11.425 894 HG22 THR 106 HG22 THR 106 102.263 8.628 -12.235 895 HG23 THR 106 HG23 THR 106 102.322 10.194 -13.044 896 H GLU 107 HN GLU 107 103.862 8.104 -14.349 897 HA GLU 107 HA GLU 107 105.091 10.065 -16.176 898 HB2 GLU 107 HB2 GLU 107 103.864 7.353 -16.740 899 HB3 GLU 107 HB1 GLU 107 104.613 8.408 -17.939 900 HG2 GLU 107 HG2 GLU 107 106.745 8.318 -16.675 901 HG3 GLU 107 HG1 GLU 107 105.995 7.224 -15.514 902 H GLU 108 HN GLU 108 103.874 11.264 -17.597 903 HA GLU 108 HA GLU 108 101.186 11.850 -16.856 904 HB2 GLU 108 HB2 GLU 108 102.841 12.643 -19.259 905 HB3 GLU 108 HB1 GLU 108 101.223 13.267 -18.937 906 HG2 GLU 108 HG2 GLU 108 101.974 14.154 -16.775 907 HG3 GLU 108 HG1 GLU 108 103.584 13.490 -17.047 908 H ILE 109 HN ILE 109 99.436 10.702 -17.339 909 HA ILE 109 HA ILE 109 99.240 8.422 -18.812 910 HB ILE 109 HB ILE 109 96.821 8.941 -19.086 911 HG12 ILE 109 HG12 ILE 109 97.555 11.644 -17.916 912 HG13 ILE 109 HG11 ILE 109 97.191 11.386 -19.619 913 HG21 ILE 109 HG21 ILE 109 96.536 9.653 -16.532 914 HG22 ILE 109 HG22 ILE 109 98.271 9.387 -16.498 915 HG23 ILE 109 HG23 ILE 109 97.185 8.075 -16.960 916 HD11 ILE 109 HD11 ILE 109 95.141 12.101 -18.651 917 HD12 ILE 109 HD12 ILE 109 95.346 11.041 -17.257 918 HD13 ILE 109 HD13 ILE 109 94.979 10.356 -18.840 919 H LEU 110 HN LEU 110 99.471 11.665 -20.033 920 HA LEU 110 HA LEU 110 98.502 11.223 -22.653 921 HB2 LEU 110 HB2 LEU 110 100.554 13.197 -21.615 922 HB3 LEU 110 HB1 LEU 110 99.842 13.255 -23.224 923 HG LEU 110 HG LEU 110 98.251 13.335 -20.643 924 HD11 LEU 110 HD11 LEU 110 99.523 15.377 -20.805 925 HD12 LEU 110 HD12 LEU 110 97.874 15.742 -21.316 926 HD13 LEU 110 HD13 LEU 110 99.146 15.536 -22.521 927 HD21 LEU 110 HD21 LEU 110 97.572 13.324 -23.558 928 HD22 LEU 110 HD22 LEU 110 96.604 14.342 -22.497 929 HD23 LEU 110 HD23 LEU 110 96.704 12.610 -22.201 930 H LYS 111 HN LYS 111 101.725 10.908 -21.228 931 HA LYS 111 HA LYS 111 103.125 10.360 -23.609 932 HB2 LYS 111 HB2 LYS 111 104.210 10.951 -21.463 933 HB3 LYS 111 HB1 LYS 111 103.748 9.376 -20.817 934 HG2 LYS 111 HG2 LYS 111 105.044 8.257 -22.587 935 HG3 LYS 111 HG1 LYS 111 105.478 9.823 -23.270 936 HD2 LYS 111 HD2 LYS 111 106.605 10.420 -21.142 937 HD3 LYS 111 HD1 LYS 111 106.192 8.833 -20.494 938 HE2 LYS 111 HE2 LYS 111 107.501 7.737 -22.244 939 HE3 LYS 111 HE1 LYS 111 107.865 9.299 -22.978 940 HZ1 LYS 111 HZ1 LYS 111 108.523 9.390 -20.250 941 HZ2 LYS 111 HZ2 LYS 111 109.553 9.539 -21.593 942 HZ3 LYS 111 HZ3 LYS 111 109.239 8.009 -20.925 943 H SER 112 HN SER 112 101.213 8.357 -21.465 944 HA SER 112 HA SER 112 101.948 5.822 -21.970 945 HB2 SER 112 HB2 SER 112 99.928 6.521 -20.666 946 HB3 SER 112 HB1 SER 112 99.081 6.738 -22.194 947 HG SER 112 HG SER 112 98.730 4.660 -21.304 948 H ASN 113 HN ASN 113 99.413 7.261 -24.001 949 HA ASN 113 HA ASN 113 99.725 5.383 -26.092 950 HB2 ASN 113 HB2 ASN 113 98.591 8.175 -26.306 951 HB3 ASN 113 HB1 ASN 113 98.245 6.806 -27.362 952 HD21 ASN 113 HD21 ASN 113 98.413 5.216 -24.576 953 HD22 ASN 113 HD22 ASN 113 96.828 5.393 -23.992 954 H SER 114 HN SER 114 100.796 8.771 -25.834 955 HA SER 114 HA SER 114 103.193 8.234 -27.323 956 HB2 SER 114 HB2 SER 114 102.716 9.671 -29.235 957 HB3 SER 114 HB1 SER 114 101.549 8.353 -29.166 958 HG SER 114 HG SER 114 101.230 11.083 -28.682 959 H GLN 115 HN GLN 115 104.489 10.241 -27.637 960 HA GLN 115 HA GLN 115 104.357 11.861 -25.256 961 HB2 GLN 115 HB2 GLN 115 106.184 11.912 -27.662 962 HB3 GLN 115 HB1 GLN 115 106.373 12.970 -26.266 963 HG2 GLN 115 HG2 GLN 115 106.670 11.071 -24.801 964 HG3 GLN 115 HG1 GLN 115 106.306 9.945 -26.108 965 HE21 GLN 115 HE21 GLN 115 108.624 9.200 -25.300 966 HE22 GLN 115 HE22 GLN 115 109.936 9.907 -26.111 967 H THR 116 HN THR 116 102.231 12.790 -25.691 968 HA THR 116 HA THR 116 101.701 14.492 -27.899 969 HB THR 116 HB THR 116 100.499 14.848 -25.146 970 HG1 THR 116 HG1 THR 116 99.503 13.007 -25.385 971 HG21 THR 116 HG21 THR 116 99.375 15.109 -27.951 972 HG22 THR 116 HG22 THR 116 99.928 16.458 -26.957 973 HG23 THR 116 HG23 THR 116 98.539 15.499 -26.447 974 H ASP 117 HN ASP 117 102.954 15.142 -24.636 975 HA ASP 117 HA ASP 117 103.049 17.931 -24.763 976 HB2 ASP 117 HB2 ASP 117 103.475 16.577 -22.716 977 HB3 ASP 117 HB1 ASP 117 105.036 16.105 -23.387 978 H LEU 118 HN LEU 118 105.574 15.561 -25.626 979 HA LEU 118 HA LEU 118 106.903 17.686 -27.183 980 HB2 LEU 118 HB2 LEU 118 108.132 15.273 -25.839 981 HB3 LEU 118 HB1 LEU 118 109.006 16.437 -26.830 982 HG LEU 118 HG LEU 118 107.452 17.136 -24.318 983 HD11 LEU 118 HD11 LEU 118 110.160 17.663 -23.919 984 HD12 LEU 118 HD12 LEU 118 110.148 16.099 -24.732 985 HD13 LEU 118 HD13 LEU 118 109.253 16.318 -23.229 986 HD21 LEU 118 HD21 LEU 118 108.962 18.692 -26.380 987 HD22 LEU 118 HD22 LEU 118 109.114 19.201 -24.702 988 HD23 LEU 118 HD23 LEU 118 107.526 19.141 -25.463 989 H GLU 119 HN GLU 119 107.014 17.386 -29.334 990 HA GLU 119 HA GLU 119 106.358 14.708 -30.381 991 HB2 GLU 119 HB2 GLU 119 104.842 16.578 -31.021 992 HB3 GLU 119 HB1 GLU 119 106.213 17.389 -31.778 993 HG2 GLU 119 HG2 GLU 119 106.527 15.518 -33.309 994 HG3 GLU 119 HG1 GLU 119 105.241 14.613 -32.512 995 H HIS 120 HN HIS 120 107.965 13.573 -31.235 996 HA HIS 120 HA HIS 120 110.296 15.023 -32.344 997 HB2 HIS 120 HB2 HIS 120 110.254 12.392 -30.851 998 HB3 HIS 120 HB1 HIS 120 111.672 13.090 -31.634 999 HD1 HIS 120 HD1 HIS 120 112.310 15.605 -30.737 1000 HD2 HIS 120 HD2 HIS 120 109.881 13.297 -28.263 1001 HE1 HIS 120 HE1 HIS 120 112.419 16.661 -28.437 1002 HE2 HIS 120 HE2 HIS 120 110.942 15.265 -26.916 1003 H HIS 121 HN HIS 121 111.260 14.164 -34.198 1004 HA HIS 121 HA HIS 121 109.835 11.948 -35.521 1005 HB2 HIS 121 HB2 HIS 121 110.507 14.622 -36.768 1006 HB3 HIS 121 HB1 HIS 121 109.917 13.216 -37.656 1007 HD1 HIS 121 HD1 HIS 121 107.490 12.307 -36.880 1008 HD2 HIS 121 HD2 HIS 121 108.500 16.132 -35.567 1009 HE1 HIS 121 HE1 HIS 121 105.332 13.401 -36.132 1010 HE2 HIS 121 HE2 HIS 121 105.931 15.733 -35.329 1011 H HIS 122 HN HIS 122 111.091 10.673 -36.859 1012 HA HIS 122 HA HIS 122 113.864 10.542 -36.296 1013 HB2 HIS 122 HB2 HIS 122 112.173 9.240 -38.436 1014 HB3 HIS 122 HB1 HIS 122 113.881 8.874 -38.194 1015 HD1 HIS 122 HD1 HIS 122 114.517 7.977 -35.718 1016 HD2 HIS 122 HD2 HIS 122 110.469 7.883 -36.707 1017 HE1 HIS 122 HE1 HIS 122 113.407 6.429 -34.048 1018 HE2 HIS 122 HE2 HIS 122 110.939 6.361 -34.638 1019 H HIS 123 HN HIS 123 112.052 11.715 -39.119 1020 HA HIS 123 HA HIS 123 114.253 12.307 -40.763 1021 HB2 HIS 123 HB2 HIS 123 111.502 13.547 -40.595 1022 HB3 HIS 123 HB1 HIS 123 112.669 13.936 -41.859 1023 HD1 HIS 123 HD1 HIS 123 110.403 11.209 -40.654 1024 HD2 HIS 123 HD2 HIS 123 113.160 11.819 -43.722 1025 HE1 HIS 123 HE1 HIS 123 110.096 9.295 -42.285 1026 HE2 HIS 123 HE2 HIS 123 111.770 9.654 -44.161 1027 H HIS 124 HN HIS 124 112.578 14.247 -38.314 1028 HA HIS 124 HA HIS 124 113.936 16.672 -38.751 1029 HB2 HIS 124 HB2 HIS 124 111.909 16.498 -37.369 1030 HB3 HIS 124 HB1 HIS 124 112.808 15.574 -36.165 1031 HD1 HIS 124 HD1 HIS 124 112.919 18.992 -37.848 1032 HD2 HIS 124 HD2 HIS 124 114.135 17.151 -34.310 1033 HE1 HIS 124 HE1 HIS 124 113.856 20.824 -36.372 1034 HE2 HIS 124 HE2 HIS 124 114.600 19.717 -34.211 1035 H HIS 125 HN HIS 125 114.695 13.909 -36.661 1036 HA HIS 125 HA HIS 125 117.463 14.909 -36.478 1037 HB2 HIS 125 HB2 HIS 125 117.591 14.511 -34.145 1038 HB3 HIS 125 HB1 HIS 125 116.083 15.397 -34.379 1039 HD1 HIS 125 HD1 HIS 125 113.848 14.017 -34.225 1040 HD2 HIS 125 HD2 HIS 125 117.273 11.853 -33.247 1041 HE1 HIS 125 HE1 HIS 125 113.055 11.893 -33.096 1042 HE2 HIS 125 HE2 HIS 125 115.132 10.564 -32.492 Start of MODEL 13 1 H21 MYR 1 1H2 MYR 1 113.859 14.580 2.934 2 H22 MYR 1 2H2 MYR 1 114.173 13.649 1.638 3 H31 MYR 1 1H3 MYR 1 111.678 13.416 3.074 4 H32 MYR 1 2H3 MYR 1 111.834 14.428 1.808 5 H41 MYR 1 1H4 MYR 1 111.819 12.780 0.320 6 H42 MYR 1 2H4 MYR 1 112.613 11.752 1.302 7 H51 MYR 1 1H5 MYR 1 109.877 12.405 1.845 8 H52 MYR 1 2H5 MYR 1 110.226 11.202 0.793 9 H61 MYR 1 1H6 MYR 1 111.731 10.634 2.940 10 H62 MYR 1 2H6 MYR 1 110.325 11.157 3.585 11 H71 MYR 1 1H7 MYR 1 109.403 9.454 1.871 12 H72 MYR 1 2H7 MYR 1 110.831 8.750 2.213 13 H81 MYR 1 1H8 MYR 1 110.237 8.577 4.478 14 H82 MYR 1 2H8 MYR 1 108.836 9.359 4.197 15 H91 MYR 1 1H9 MYR 1 108.241 7.454 2.740 16 H92 MYR 1 2H9 MYR 1 109.493 6.667 3.423 17 H101 MYR 1 1H10 MYR 1 108.077 7.560 5.510 18 H102 MYR 1 2H10 MYR 1 106.945 7.043 4.461 19 H111 MYR 1 1H11 MYR 1 108.580 4.994 4.437 20 H112 MYR 1 2H11 MYR 1 108.760 5.490 5.976 21 H121 MYR 1 1H12 MYR 1 106.947 4.347 6.449 22 H122 MYR 1 2H12 MYR 1 106.107 5.487 5.638 23 H131 MYR 1 1H13 MYR 1 106.000 4.229 3.748 24 H132 MYR 1 2H13 MYR 1 107.249 3.285 4.193 25 H141 MYR 1 1H14 MYR 1 105.437 1.925 4.506 26 H142 MYR 1 2H14 MYR 1 105.762 2.485 6.017 27 H143 MYR 1 3H14 MYR 1 104.548 3.147 5.148 28 H GLY 2 HN GLY 2 115.932 13.527 3.084 29 HA2 GLY 2 HA2 GLY 2 117.044 11.594 2.377 30 HA3 GLY 2 HA1 GLY 2 116.428 11.055 3.939 31 H GLN 3 HN GLN 3 115.702 11.179 0.484 32 HA GLN 3 HA GLN 3 113.344 9.907 0.207 33 HB2 GLN 3 HB2 GLN 3 115.907 9.304 -1.281 34 HB3 GLN 3 HB1 GLN 3 114.324 8.717 -1.790 35 HG2 GLN 3 HG2 GLN 3 113.515 11.062 -1.899 36 HG3 GLN 3 HG1 GLN 3 115.126 11.621 -1.449 37 HE21 GLN 3 HE21 GLN 3 114.581 12.682 -3.775 38 HE22 GLN 3 HE22 GLN 3 115.194 11.811 -5.096 39 H GLU 4 HN GLU 4 116.421 8.167 0.704 40 HA GLU 4 HA GLU 4 114.972 5.698 1.221 41 HB2 GLU 4 HB2 GLU 4 117.132 5.725 -0.037 42 HB3 GLU 4 HB1 GLU 4 117.934 6.235 1.449 43 HG2 GLU 4 HG2 GLU 4 117.185 4.203 2.592 44 HG3 GLU 4 HG1 GLU 4 116.300 3.698 1.152 45 H LEU 5 HN LEU 5 117.513 7.434 2.976 46 HA LEU 5 HA LEU 5 117.424 6.223 5.359 47 HB2 LEU 5 HB2 LEU 5 118.866 8.129 5.025 48 HB3 LEU 5 HB1 LEU 5 117.488 9.210 4.917 49 HG LEU 5 HG LEU 5 118.770 9.112 7.138 50 HD11 LEU 5 HD11 LEU 5 116.230 9.905 6.690 51 HD12 LEU 5 HD12 LEU 5 117.018 9.939 8.268 52 HD13 LEU 5 HD13 LEU 5 115.981 8.585 7.873 53 HD21 LEU 5 HD21 LEU 5 118.429 7.346 8.649 54 HD22 LEU 5 HD22 LEU 5 118.810 6.570 7.119 55 HD23 LEU 5 HD23 LEU 5 117.138 6.659 7.683 56 H SER 6 HN SER 6 115.383 9.142 4.913 57 HA SER 6 HA SER 6 113.900 8.946 7.150 58 HB2 SER 6 HB2 SER 6 112.895 9.671 4.403 59 HB3 SER 6 HB1 SER 6 112.056 10.037 5.899 60 HG SER 6 HG SER 6 113.290 11.729 5.990 61 H GLN 7 HN GLN 7 113.443 7.129 4.171 62 HA GLN 7 HA GLN 7 111.012 5.912 4.596 63 HB2 GLN 7 HB2 GLN 7 112.740 5.603 2.657 64 HB3 GLN 7 HB1 GLN 7 113.331 4.266 3.647 65 HG2 GLN 7 HG2 GLN 7 111.025 3.344 3.730 66 HG3 GLN 7 HG1 GLN 7 110.511 4.620 2.624 67 HE21 GLN 7 HE21 GLN 7 110.735 1.584 2.243 68 HE22 GLN 7 HE22 GLN 7 111.670 1.413 0.837 69 H HIS 8 HN HIS 8 114.166 4.500 5.540 70 HA HIS 8 HA HIS 8 113.184 2.378 7.040 71 HB2 HIS 8 HB2 HIS 8 115.715 4.016 7.416 72 HB3 HIS 8 HB1 HIS 8 115.378 2.478 8.244 73 HD1 HIS 8 HD1 HIS 8 114.437 0.575 6.258 74 HD2 HIS 8 HD2 HIS 8 117.215 3.491 5.184 75 HE1 HIS 8 HE1 HIS 8 115.573 -0.259 4.154 76 HE2 HIS 8 HE2 HIS 8 117.270 1.508 3.486 77 H GLU 9 HN GLU 9 113.903 5.686 8.089 78 HA GLU 9 HA GLU 9 113.466 5.313 10.837 79 HB2 GLU 9 HB2 GLU 9 114.485 7.349 9.802 80 HB3 GLU 9 HB1 GLU 9 112.891 7.799 9.199 81 HG2 GLU 9 HG2 GLU 9 112.031 7.889 11.505 82 HG3 GLU 9 HG1 GLU 9 113.614 7.418 12.117 83 H ARG 10 HN ARG 10 111.193 6.845 8.534 84 HA ARG 10 HA ARG 10 109.009 6.720 10.340 85 HB2 ARG 10 HB2 ARG 10 109.109 7.080 7.347 86 HB3 ARG 10 HB1 ARG 10 107.624 7.179 8.288 87 HG2 ARG 10 HG2 ARG 10 108.700 8.957 9.694 88 HG3 ARG 10 HG1 ARG 10 110.083 8.922 8.600 89 HD2 ARG 10 HD2 ARG 10 108.633 10.713 7.884 90 HD3 ARG 10 HD1 ARG 10 108.501 9.411 6.704 91 HE ARG 10 HE ARG 10 106.510 9.091 8.698 92 HH11 ARG 10 HH11 ARG 10 104.376 9.672 8.183 93 HH12 ARG 10 HH12 ARG 10 104.072 10.736 6.850 94 HH21 ARG 10 HH21 ARG 10 107.422 11.092 6.028 95 HH22 ARG 10 HH22 ARG 10 105.796 11.541 5.631 96 H TYR 11 HN TYR 11 109.984 4.666 7.637 97 HA TYR 11 HA TYR 11 107.774 2.962 7.551 98 HB2 TYR 11 HB2 TYR 11 109.567 2.858 5.890 99 HB3 TYR 11 HB1 TYR 11 110.680 2.285 7.122 100 HD1 TYR 11 HD1 TYR 11 110.458 0.041 8.113 101 HD2 TYR 11 HD2 TYR 11 107.903 1.378 4.938 102 HE1 TYR 11 HE1 TYR 11 109.728 -2.295 7.710 103 HE2 TYR 11 HE2 TYR 11 107.158 -0.948 4.540 104 HH TYR 11 HH TYR 11 107.698 -3.145 4.970 105 H VAL 12 HN VAL 12 110.831 2.410 9.338 106 HA VAL 12 HA VAL 12 109.950 0.073 10.659 107 HB VAL 12 HB VAL 12 112.028 2.149 11.400 108 HG11 VAL 12 HG11 VAL 12 111.632 1.184 13.491 109 HG12 VAL 12 HG12 VAL 12 112.790 0.033 12.815 110 HG13 VAL 12 HG13 VAL 12 111.067 -0.336 12.794 111 HG21 VAL 12 HG21 VAL 12 112.516 0.827 9.406 112 HG22 VAL 12 HG22 VAL 12 112.122 -0.662 10.264 113 HG23 VAL 12 HG23 VAL 12 113.536 0.285 10.731 114 H GLU 13 HN GLU 13 110.053 3.437 11.890 115 HA GLU 13 HA GLU 13 108.818 2.779 14.370 116 HB2 GLU 13 HB2 GLU 13 109.149 5.394 12.903 117 HB3 GLU 13 HB1 GLU 13 108.515 5.262 14.543 118 HG2 GLU 13 HG2 GLU 13 111.197 4.144 13.696 119 HG3 GLU 13 HG1 GLU 13 110.991 5.740 14.418 120 H GLN 14 HN GLN 14 107.534 4.311 11.440 121 HA GLN 14 HA GLN 14 104.900 4.616 12.434 122 HB2 GLN 14 HB2 GLN 14 105.937 5.868 10.486 123 HB3 GLN 14 HB1 GLN 14 105.659 4.405 9.525 124 HG2 GLN 14 HG2 GLN 14 103.755 5.886 9.204 125 HG3 GLN 14 HG1 GLN 14 103.233 4.514 10.187 126 HE21 GLN 14 HE21 GLN 14 101.674 5.442 11.562 127 HE22 GLN 14 HE22 GLN 14 101.962 6.793 12.548 128 H LEU 15 HN LEU 15 105.833 2.631 9.696 129 HA LEU 15 HA LEU 15 103.666 1.048 9.399 130 HB2 LEU 15 HB2 LEU 15 106.123 0.890 8.344 131 HB3 LEU 15 HB1 LEU 15 106.236 -0.469 9.458 132 HG LEU 15 HG LEU 15 105.454 -1.265 7.297 133 HD11 LEU 15 HD11 LEU 15 104.394 -2.072 9.518 134 HD12 LEU 15 HD12 LEU 15 103.548 -2.468 8.021 135 HD13 LEU 15 HD13 LEU 15 102.981 -1.139 9.025 136 HD21 LEU 15 HD21 LEU 15 104.212 1.229 7.136 137 HD22 LEU 15 HD22 LEU 15 102.875 0.091 7.259 138 HD23 LEU 15 HD23 LEU 15 104.069 -0.083 5.973 139 H LYS 16 HN LYS 16 106.277 0.339 11.753 140 HA LYS 16 HA LYS 16 104.947 -1.895 12.888 141 HB2 LYS 16 HB2 LYS 16 107.068 -0.057 13.960 142 HB3 LYS 16 HB1 LYS 16 106.477 -1.436 14.842 143 HG2 LYS 16 HG2 LYS 16 107.030 -2.836 12.763 144 HG3 LYS 16 HG1 LYS 16 107.917 -1.430 12.201 145 HD2 LYS 16 HD2 LYS 16 109.330 -1.469 14.191 146 HD3 LYS 16 HD1 LYS 16 108.423 -2.841 14.826 147 HE2 LYS 16 HE2 LYS 16 110.174 -2.763 12.369 148 HE3 LYS 16 HE1 LYS 16 110.385 -3.734 13.825 149 HZ1 LYS 16 HZ1 LYS 16 107.876 -4.354 12.930 150 HZ2 LYS 16 HZ2 LYS 16 109.266 -5.315 12.791 151 HZ3 LYS 16 HZ3 LYS 16 108.816 -4.282 11.520 152 H GLN 17 HN GLN 17 104.868 1.564 13.664 153 HA GLN 17 HA GLN 17 103.352 1.270 16.048 154 HB2 GLN 17 HB2 GLN 17 104.039 3.484 14.198 155 HB3 GLN 17 HB1 GLN 17 102.694 3.744 15.296 156 HG2 GLN 17 HG2 GLN 17 104.127 3.183 17.208 157 HG3 GLN 17 HG1 GLN 17 105.476 2.854 16.127 158 HE21 GLN 17 HE21 GLN 17 106.245 4.721 17.800 159 HE22 GLN 17 HE22 GLN 17 106.084 6.299 17.196 160 H ALA 18 HN ALA 18 102.331 2.377 12.819 161 HA ALA 18 HA ALA 18 99.632 2.511 13.140 162 HB1 ALA 18 HB1 ALA 18 99.423 2.313 10.815 163 HB2 ALA 18 HB2 ALA 18 100.752 1.161 10.696 164 HB3 ALA 18 HB3 ALA 18 101.083 2.863 11.012 165 H LEU 19 HN LEU 19 101.620 -0.282 13.280 166 HA LEU 19 HA LEU 19 99.387 -2.150 12.968 167 HB2 LEU 19 HB2 LEU 19 102.333 -2.430 13.384 168 HB3 LEU 19 HB1 LEU 19 101.288 -3.791 13.760 169 HG LEU 19 HG LEU 19 100.889 -2.364 11.160 170 HD11 LEU 19 HD11 LEU 19 102.915 -4.580 11.481 171 HD12 LEU 19 HD12 LEU 19 103.384 -2.883 11.466 172 HD13 LEU 19 HD13 LEU 19 102.601 -3.580 10.066 173 HD21 LEU 19 HD21 LEU 19 99.567 -4.387 12.294 174 HD22 LEU 19 HD22 LEU 19 100.873 -5.328 11.575 175 HD23 LEU 19 HD23 LEU 19 99.834 -4.337 10.552 176 H LYS 20 HN LYS 20 101.576 -1.026 15.535 177 HA LYS 20 HA LYS 20 100.905 -2.535 17.679 178 HB2 LYS 20 HB2 LYS 20 101.181 0.466 17.555 179 HB3 LYS 20 HB1 LYS 20 101.018 -0.411 19.076 180 HG2 LYS 20 HG2 LYS 20 103.009 -1.763 18.486 181 HG3 LYS 20 HG1 LYS 20 103.183 -0.839 17.002 182 HD2 LYS 20 HD2 LYS 20 103.370 1.248 18.379 183 HD3 LYS 20 HD1 LYS 20 103.344 0.241 19.826 184 HE2 LYS 20 HE2 LYS 20 105.344 -0.975 18.985 185 HE3 LYS 20 HE1 LYS 20 105.387 0.115 17.598 186 HZ1 LYS 20 HZ1 LYS 20 105.712 1.971 19.048 187 HZ2 LYS 20 HZ2 LYS 20 106.885 0.795 19.405 188 HZ3 LYS 20 HZ3 LYS 20 105.542 0.996 20.425 189 H THR 21 HN THR 21 98.912 0.066 16.330 190 HA THR 21 HA THR 21 96.869 0.039 18.271 191 HB THR 21 HB THR 21 96.794 1.836 16.760 192 HG1 THR 21 HG1 THR 21 94.718 1.302 17.001 193 HG21 THR 21 HG21 THR 21 97.166 -0.309 14.704 194 HG22 THR 21 HG22 THR 21 98.086 1.177 14.943 195 HG23 THR 21 HG23 THR 21 96.472 1.242 14.233 196 H ARG 22 HN ARG 22 97.411 -2.003 15.445 197 HA ARG 22 HA ARG 22 94.869 -3.302 15.531 198 HB2 ARG 22 HB2 ARG 22 97.476 -3.847 14.138 199 HB3 ARG 22 HB1 ARG 22 96.225 -5.078 14.157 200 HG2 ARG 22 HG2 ARG 22 95.450 -2.279 13.438 201 HG3 ARG 22 HG1 ARG 22 96.304 -3.240 12.229 202 HD2 ARG 22 HD2 ARG 22 94.610 -5.036 12.495 203 HD3 ARG 22 HD1 ARG 22 93.739 -4.032 13.645 204 HE ARG 22 HE ARG 22 93.905 -3.636 10.755 205 HH11 ARG 22 HH11 ARG 22 92.431 -2.114 9.940 206 HH12 ARG 22 HH12 ARG 22 91.557 -1.092 11.032 207 HH21 ARG 22 HH21 ARG 22 93.006 -2.442 13.878 208 HH22 ARG 22 HH22 ARG 22 91.882 -1.280 13.261 209 H GLY 23 HN GLY 23 97.474 -3.398 17.606 210 HA2 GLY 23 HA2 GLY 23 97.434 -4.691 19.639 211 HA3 GLY 23 HA1 GLY 23 96.484 -5.908 18.791 212 H VAL 24 HN VAL 24 99.397 -4.462 17.424 213 HA VAL 24 HA VAL 24 100.652 -7.130 17.518 214 HB VAL 24 HB VAL 24 101.559 -4.820 15.827 215 HG11 VAL 24 HG11 VAL 24 101.719 -7.835 15.547 216 HG12 VAL 24 HG12 VAL 24 103.046 -6.764 15.993 217 HG13 VAL 24 HG13 VAL 24 102.348 -6.676 14.378 218 HG21 VAL 24 HG21 VAL 24 100.124 -6.087 14.032 219 HG22 VAL 24 HG22 VAL 24 99.319 -4.955 15.117 220 HG23 VAL 24 HG23 VAL 24 99.229 -6.687 15.428 221 H LYS 25 HN LYS 25 103.030 -7.171 17.844 222 HA LYS 25 HA LYS 25 103.924 -5.000 19.638 223 HB2 LYS 25 HB2 LYS 25 104.535 -7.965 19.743 224 HB3 LYS 25 HB1 LYS 25 105.296 -6.751 20.771 225 HG2 LYS 25 HG2 LYS 25 103.094 -6.114 21.668 226 HG3 LYS 25 HG1 LYS 25 102.318 -7.311 20.631 227 HD2 LYS 25 HD2 LYS 25 103.613 -9.104 21.743 228 HD3 LYS 25 HD1 LYS 25 104.354 -7.901 22.800 229 HE2 LYS 25 HE2 LYS 25 102.136 -7.289 23.678 230 HE3 LYS 25 HE1 LYS 25 101.382 -8.474 22.611 231 HZ1 LYS 25 HZ1 LYS 25 101.960 -10.149 23.942 232 HZ2 LYS 25 HZ2 LYS 25 102.220 -8.961 25.129 233 HZ3 LYS 25 HZ3 LYS 25 103.522 -9.545 24.207 234 H VAL 26 HN VAL 26 106.302 -4.741 19.729 235 HA VAL 26 HA VAL 26 107.581 -5.390 17.139 236 HB VAL 26 HB VAL 26 108.623 -3.211 17.125 237 HG11 VAL 26 HG11 VAL 26 105.666 -3.093 17.769 238 HG12 VAL 26 HG12 VAL 26 106.402 -3.280 16.180 239 HG13 VAL 26 HG13 VAL 26 106.590 -1.771 17.077 240 HG21 VAL 26 HG21 VAL 26 107.586 -3.168 19.928 241 HG22 VAL 26 HG22 VAL 26 107.586 -1.641 19.053 242 HG23 VAL 26 HG23 VAL 26 109.096 -2.519 19.280 243 H LYS 27 HN LYS 27 109.005 -6.938 17.628 244 HA LYS 27 HA LYS 27 110.732 -6.595 19.999 245 HB2 LYS 27 HB2 LYS 27 111.204 -9.060 19.671 246 HB3 LYS 27 HB1 LYS 27 109.569 -8.649 20.192 247 HG2 LYS 27 HG2 LYS 27 108.696 -8.925 17.989 248 HG3 LYS 27 HG1 LYS 27 110.313 -9.016 17.287 249 HD2 LYS 27 HD2 LYS 27 110.752 -11.120 18.377 250 HD3 LYS 27 HD1 LYS 27 109.244 -11.017 19.297 251 HE2 LYS 27 HE2 LYS 27 107.989 -11.055 17.118 252 HE3 LYS 27 HE1 LYS 27 109.526 -11.313 16.292 253 HZ1 LYS 27 HZ1 LYS 27 108.052 -13.113 18.083 254 HZ2 LYS 27 HZ2 LYS 27 109.744 -13.243 17.989 255 HZ3 LYS 27 HZ3 LYS 27 108.795 -13.446 16.595 256 H TYR 28 HN TYR 28 112.969 -7.562 19.713 257 HA TYR 28 HA TYR 28 114.320 -6.193 17.666 258 HB2 TYR 28 HB2 TYR 28 115.165 -8.554 19.353 259 HB3 TYR 28 HB1 TYR 28 116.260 -7.641 18.313 260 HD1 TYR 28 HD1 TYR 28 114.618 -7.767 21.517 261 HD2 TYR 28 HD2 TYR 28 116.459 -5.115 18.683 262 HE1 TYR 28 HE1 TYR 28 114.886 -6.055 23.292 263 HE2 TYR 28 HE2 TYR 28 116.727 -3.404 20.458 264 HH TYR 28 HH TYR 28 116.908 -3.592 23.177 265 H ALA 29 HN ALA 29 113.195 -9.529 17.913 266 HA ALA 29 HA ALA 29 114.371 -10.512 15.542 267 HB1 ALA 29 HB1 ALA 29 113.461 -12.457 16.170 268 HB2 ALA 29 HB2 ALA 29 111.834 -11.778 16.199 269 HB3 ALA 29 HB3 ALA 29 112.890 -11.608 17.604 270 H ASP 30 HN ASP 30 111.662 -8.510 16.103 271 HA ASP 30 HA ASP 30 110.226 -9.102 13.675 272 HB2 ASP 30 HB2 ASP 30 110.009 -6.960 15.756 273 HB3 ASP 30 HB1 ASP 30 109.208 -6.733 14.219 274 H LEU 31 HN LEU 31 112.586 -6.661 14.636 275 HA LEU 31 HA LEU 31 112.481 -5.178 12.202 276 HB2 LEU 31 HB2 LEU 31 114.567 -5.544 14.357 277 HB3 LEU 31 HB1 LEU 31 114.893 -4.572 12.926 278 HG LEU 31 HG LEU 31 112.626 -3.399 13.517 279 HD11 LEU 31 HD11 LEU 31 112.285 -3.328 16.013 280 HD12 LEU 31 HD12 LEU 31 113.407 -4.679 16.153 281 HD13 LEU 31 HD13 LEU 31 111.887 -4.885 15.287 282 HD21 LEU 31 HD21 LEU 31 113.888 -1.893 15.134 283 HD22 LEU 31 HD22 LEU 31 114.681 -2.176 13.585 284 HD23 LEU 31 HD23 LEU 31 115.225 -3.039 15.023 285 H LEU 32 HN LEU 32 114.511 -7.923 13.237 286 HA LEU 32 HA LEU 32 116.224 -7.971 11.030 287 HB2 LEU 32 HB2 LEU 32 115.066 -10.403 12.374 288 HB3 LEU 32 HB1 LEU 32 116.634 -10.265 11.572 289 HG LEU 32 HG LEU 32 115.795 -8.756 14.073 290 HD11 LEU 32 HD11 LEU 32 116.649 -11.381 13.850 291 HD12 LEU 32 HD12 LEU 32 116.775 -10.378 15.297 292 HD13 LEU 32 HD13 LEU 32 118.141 -10.503 14.189 293 HD21 LEU 32 HD21 LEU 32 117.306 -7.325 12.976 294 HD22 LEU 32 HD22 LEU 32 118.232 -8.667 12.301 295 HD23 LEU 32 HD23 LEU 32 118.364 -8.276 14.016 296 H LYS 33 HN LYS 33 113.135 -9.689 11.437 297 HA LYS 33 HA LYS 33 113.135 -10.726 8.767 298 HB2 LYS 33 HB2 LYS 33 111.965 -11.839 10.636 299 HB3 LYS 33 HB1 LYS 33 110.841 -10.483 10.718 300 HG2 LYS 33 HG2 LYS 33 110.114 -10.921 8.403 301 HG3 LYS 33 HG1 LYS 33 111.271 -12.246 8.283 302 HD2 LYS 33 HD2 LYS 33 110.119 -13.413 10.133 303 HD3 LYS 33 HD1 LYS 33 108.955 -12.091 10.234 304 HE2 LYS 33 HE2 LYS 33 108.201 -12.525 7.956 305 HE3 LYS 33 HE1 LYS 33 109.422 -13.780 7.762 306 HZ1 LYS 33 HZ1 LYS 33 107.158 -13.804 9.673 307 HZ2 LYS 33 HZ2 LYS 33 108.380 -14.983 9.606 308 HZ3 LYS 33 HZ3 LYS 33 107.325 -14.773 8.293 309 H PHE 34 HN PHE 34 111.144 -8.231 10.376 310 HA PHE 34 HA PHE 34 109.686 -7.489 8.109 311 HB2 PHE 34 HB2 PHE 34 109.366 -6.873 10.621 312 HB3 PHE 34 HB1 PHE 34 110.430 -5.516 10.257 313 HD1 PHE 34 HD1 PHE 34 107.500 -7.269 8.684 314 HD2 PHE 34 HD2 PHE 34 109.366 -3.522 9.660 315 HE1 PHE 34 HE1 PHE 34 105.595 -6.058 7.674 316 HE2 PHE 34 HE2 PHE 34 107.448 -2.312 8.658 317 HZ PHE 34 HZ PHE 34 105.570 -3.577 7.660 318 H PHE 35 HN PHE 35 112.769 -6.294 9.313 319 HA PHE 35 HA PHE 35 112.979 -4.129 7.436 320 HB2 PHE 35 HB2 PHE 35 114.203 -4.408 9.671 321 HB3 PHE 35 HB1 PHE 35 115.309 -5.482 8.806 322 HD1 PHE 35 HD1 PHE 35 116.255 -4.483 6.517 323 HD2 PHE 35 HD2 PHE 35 114.565 -2.144 9.702 324 HE1 PHE 35 HE1 PHE 35 117.386 -2.463 5.637 325 HE2 PHE 35 HE2 PHE 35 115.704 -0.124 8.814 326 HZ PHE 35 HZ PHE 35 117.117 -0.288 6.783 327 H ASP 36 HN ASP 36 114.313 -7.431 7.650 328 HA ASP 36 HA ASP 36 115.752 -7.303 5.176 329 HB2 ASP 36 HB2 ASP 36 114.869 -9.665 6.842 330 HB3 ASP 36 HB1 ASP 36 115.879 -9.798 5.405 331 H PHE 37 HN PHE 37 112.466 -7.896 5.987 332 HA PHE 37 HA PHE 37 111.691 -9.471 3.761 333 HB2 PHE 37 HB2 PHE 37 110.393 -8.056 5.949 334 HB3 PHE 37 HB1 PHE 37 109.484 -7.917 4.447 335 HD1 PHE 37 HD1 PHE 37 111.628 -10.660 5.847 336 HD2 PHE 37 HD2 PHE 37 107.741 -9.471 4.460 337 HE1 PHE 37 HE1 PHE 37 110.826 -12.988 6.106 338 HE2 PHE 37 HE2 PHE 37 106.937 -11.802 4.720 339 HZ PHE 37 HZ PHE 37 108.477 -13.561 5.545 340 H VAL 38 HN VAL 38 111.173 -5.990 4.368 341 HA VAL 38 HA VAL 38 110.391 -5.479 1.663 342 HB VAL 38 HB VAL 38 111.053 -3.032 2.451 343 HG11 VAL 38 HG11 VAL 38 108.823 -2.843 3.486 344 HG12 VAL 38 HG12 VAL 38 108.762 -4.600 3.688 345 HG13 VAL 38 HG13 VAL 38 108.745 -3.900 2.069 346 HG21 VAL 38 HG21 VAL 38 112.147 -4.342 4.514 347 HG22 VAL 38 HG22 VAL 38 110.500 -4.202 5.135 348 HG23 VAL 38 HG23 VAL 38 111.410 -2.754 4.711 349 H LYS 39 HN LYS 39 113.445 -5.155 3.419 350 HA LYS 39 HA LYS 39 114.951 -3.773 1.514 351 HB2 LYS 39 HB2 LYS 39 115.698 -4.431 3.821 352 HB3 LYS 39 HB1 LYS 39 115.951 -6.066 3.212 353 HG2 LYS 39 HG2 LYS 39 117.552 -5.225 1.551 354 HG3 LYS 39 HG1 LYS 39 117.283 -3.574 2.112 355 HD2 LYS 39 HD2 LYS 39 118.092 -4.222 4.359 356 HD3 LYS 39 HD1 LYS 39 118.399 -5.853 3.773 357 HE2 LYS 39 HE2 LYS 39 119.988 -4.962 2.106 358 HE3 LYS 39 HE1 LYS 39 119.688 -3.327 2.694 359 HZ1 LYS 39 HZ1 LYS 39 121.302 -3.685 4.151 360 HZ2 LYS 39 HZ2 LYS 39 121.400 -5.334 3.754 361 HZ3 LYS 39 HZ3 LYS 39 120.292 -4.804 4.929 362 H ASP 40 HN ASP 40 114.033 -7.178 1.617 363 HA ASP 40 HA ASP 40 115.731 -8.391 -0.126 364 HB2 ASP 40 HB2 ASP 40 112.717 -8.605 -0.011 365 HB3 ASP 40 HB1 ASP 40 113.739 -9.709 -0.931 366 H THR 41 HN THR 41 112.696 -6.873 -1.268 367 HA THR 41 HA THR 41 114.065 -6.288 -3.826 368 HB THR 41 HB THR 41 111.814 -6.415 -4.863 369 HG1 THR 41 HG1 THR 41 110.164 -6.491 -3.599 370 HG21 THR 41 HG21 THR 41 112.698 -8.852 -3.294 371 HG22 THR 41 HG22 THR 41 113.289 -8.370 -4.884 372 HG23 THR 41 HG23 THR 41 111.613 -8.882 -4.684 373 H CYS 42 HN CYS 42 113.142 -4.822 -1.082 374 HA CYS 42 HA CYS 42 112.298 -2.732 -0.500 375 HB2 CYS 42 HB2 CYS 42 113.934 -1.852 -2.879 376 HB3 CYS 42 HB1 CYS 42 113.621 -0.968 -1.384 377 HG CYS 42 HG CYS 42 115.083 -2.781 -0.113 378 HA PRO 43 HA PRO 43 109.206 -2.748 -4.033 379 HB2 PRO 43 HB2 PRO 43 107.283 -3.219 -1.827 380 HB3 PRO 43 HB1 PRO 43 107.456 -4.076 -3.368 381 HG2 PRO 43 HG2 PRO 43 108.167 -5.196 -1.073 382 HG3 PRO 43 HG1 PRO 43 109.087 -5.475 -2.556 383 HD2 PRO 43 HD2 PRO 43 109.723 -3.640 -0.253 384 HD3 PRO 43 HD1 PRO 43 110.792 -4.725 -1.165 385 H TRP 44 HN TRP 44 109.542 -1.182 -0.967 386 HA TRP 44 HA TRP 44 107.479 0.765 -1.269 387 HB2 TRP 44 HB2 TRP 44 109.697 0.240 0.597 388 HB3 TRP 44 HB1 TRP 44 109.263 1.940 0.430 389 HD1 TRP 44 HD1 TRP 44 107.346 2.709 1.888 390 HE1 TRP 44 HE1 TRP 44 105.384 1.571 3.114 391 HE3 TRP 44 HE3 TRP 44 107.984 -2.103 0.300 392 HZ2 TRP 44 HZ2 TRP 44 104.243 -1.034 3.386 393 HZ3 TRP 44 HZ3 TRP 44 106.446 -3.891 1.059 394 HH2 TRP 44 HH2 TRP 44 104.576 -3.365 2.600 395 H PHE 45 HN PHE 45 109.352 0.411 -3.553 396 HA PHE 45 HA PHE 45 110.281 1.720 -5.153 397 HB2 PHE 45 HB2 PHE 45 108.386 3.366 -3.890 398 HB3 PHE 45 HB1 PHE 45 109.829 4.349 -4.159 399 HD1 PHE 45 HD1 PHE 45 106.849 3.392 -5.630 400 HD2 PHE 45 HD2 PHE 45 111.034 3.689 -6.552 401 HE1 PHE 45 HE1 PHE 45 106.308 3.527 -8.044 402 HE2 PHE 45 HE2 PHE 45 110.492 3.823 -8.967 403 HZ PHE 45 HZ PHE 45 108.129 3.742 -9.715 404 HA PRO 46 HA PRO 46 114.001 2.405 -2.568 405 HB2 PRO 46 HB2 PRO 46 115.824 1.604 -4.443 406 HB3 PRO 46 HB1 PRO 46 114.946 0.485 -3.384 407 HG2 PRO 46 HG2 PRO 46 114.486 1.144 -6.231 408 HG3 PRO 46 HG1 PRO 46 114.279 -0.384 -5.365 409 HD2 PRO 46 HD2 PRO 46 112.213 1.299 -6.060 410 HD3 PRO 46 HD1 PRO 46 112.134 0.111 -4.758 411 H GLN 47 HN GLN 47 112.847 3.920 -5.355 412 HA GLN 47 HA GLN 47 115.167 5.613 -5.808 413 HB2 GLN 47 HB2 GLN 47 112.335 5.695 -6.880 414 HB3 GLN 47 HB1 GLN 47 113.640 6.755 -7.416 415 HG2 GLN 47 HG2 GLN 47 114.956 4.819 -8.143 416 HG3 GLN 47 HG1 GLN 47 113.709 3.725 -7.548 417 HE21 GLN 47 HE21 GLN 47 114.043 3.217 -10.098 418 HE22 GLN 47 HE22 GLN 47 112.927 4.004 -11.108 419 H GLU 48 HN GLU 48 111.779 6.241 -4.878 420 HA GLU 48 HA GLU 48 112.623 8.763 -3.603 421 HB2 GLU 48 HB2 GLU 48 110.697 8.878 -5.102 422 HB3 GLU 48 HB1 GLU 48 109.853 7.660 -4.146 423 HG2 GLU 48 HG2 GLU 48 109.059 9.875 -3.510 424 HG3 GLU 48 HG1 GLU 48 109.957 9.197 -2.168 425 H GLY 49 HN GLY 49 111.186 5.651 -2.840 426 HA2 GLY 49 HA2 GLY 49 111.330 4.534 -0.769 427 HA3 GLY 49 HA1 GLY 49 111.828 6.043 -0.011 428 H THR 50 HN THR 50 108.993 4.677 -1.726 429 HA THR 50 HA THR 50 107.265 5.748 0.401 430 HB THR 50 HB THR 50 107.320 7.305 -1.603 431 HG1 THR 50 HG1 THR 50 104.777 6.719 -1.727 432 HG21 THR 50 HG21 THR 50 107.453 5.370 -3.246 433 HG22 THR 50 HG22 THR 50 106.264 6.609 -3.638 434 HG23 THR 50 HG23 THR 50 105.737 5.080 -2.925 435 H ILE 51 HN ILE 51 104.989 4.849 0.148 436 HA ILE 51 HA ILE 51 105.207 1.985 -0.142 437 HB ILE 51 HB ILE 51 102.622 3.410 0.294 438 HG12 ILE 51 HG12 ILE 51 104.943 3.223 2.193 439 HG13 ILE 51 HG11 ILE 51 103.963 4.634 1.798 440 HG21 ILE 51 HG21 ILE 51 103.616 1.075 1.858 441 HG22 ILE 51 HG22 ILE 51 103.146 0.815 0.178 442 HG23 ILE 51 HG23 ILE 51 101.985 1.465 1.330 443 HD11 ILE 51 HD11 ILE 51 101.993 3.328 2.805 444 HD12 ILE 51 HD12 ILE 51 103.189 3.966 3.928 445 HD13 ILE 51 HD13 ILE 51 103.211 2.254 3.495 446 H ASP 52 HN ASP 52 104.192 0.701 -1.667 447 HA ASP 52 HA ASP 52 102.715 2.041 -3.832 448 HB2 ASP 52 HB2 ASP 52 105.038 1.812 -4.590 449 HB3 ASP 52 HB1 ASP 52 104.995 0.101 -4.188 450 H ILE 53 HN ILE 53 100.867 1.042 -4.162 451 HA ILE 53 HA ILE 53 100.188 -1.420 -2.892 452 HB ILE 53 HB ILE 53 98.664 0.003 -5.082 453 HG12 ILE 53 HG12 ILE 53 99.179 1.566 -3.266 454 HG13 ILE 53 HG11 ILE 53 97.478 1.128 -3.162 455 HG21 ILE 53 HG21 ILE 53 97.882 -2.277 -4.609 456 HG22 ILE 53 HG22 ILE 53 96.721 -1.113 -3.975 457 HG23 ILE 53 HG23 ILE 53 97.843 -1.926 -2.881 458 HD11 ILE 53 HD11 ILE 53 98.398 -0.771 -1.535 459 HD12 ILE 53 HD12 ILE 53 98.159 0.861 -0.932 460 HD13 ILE 53 HD13 ILE 53 99.775 0.317 -1.393 461 H LYS 54 HN LYS 54 100.943 -0.548 -6.243 462 HA LYS 54 HA LYS 54 100.288 -3.016 -7.434 463 HB2 LYS 54 HB2 LYS 54 102.485 -1.106 -8.261 464 HB3 LYS 54 HB1 LYS 54 101.620 -2.240 -9.296 465 HG2 LYS 54 HG2 LYS 54 100.307 0.069 -7.824 466 HG3 LYS 54 HG1 LYS 54 100.799 0.120 -9.515 467 HD2 LYS 54 HD2 LYS 54 99.347 -1.967 -9.839 468 HD3 LYS 54 HD1 LYS 54 98.672 -1.611 -8.247 469 HE2 LYS 54 HE2 LYS 54 98.079 0.671 -9.048 470 HE3 LYS 54 HE1 LYS 54 98.653 0.224 -10.656 471 HZ1 LYS 54 HZ1 LYS 54 96.611 -1.363 -9.221 472 HZ2 LYS 54 HZ2 LYS 54 96.993 -1.386 -10.877 473 HZ3 LYS 54 HZ3 LYS 54 96.192 -0.046 -10.206 474 H ARG 55 HN ARG 55 103.490 -1.784 -6.461 475 HA ARG 55 HA ARG 55 104.840 -4.221 -6.937 476 HB2 ARG 55 HB2 ARG 55 105.550 -1.824 -5.255 477 HB3 ARG 55 HB1 ARG 55 106.617 -3.207 -5.429 478 HG2 ARG 55 HG2 ARG 55 106.621 -2.909 -7.869 479 HG3 ARG 55 HG1 ARG 55 105.521 -1.538 -7.710 480 HD2 ARG 55 HD2 ARG 55 107.187 -0.321 -6.393 481 HD3 ARG 55 HD1 ARG 55 108.281 -1.698 -6.468 482 HE ARG 55 HE ARG 55 107.497 -0.781 -9.076 483 HH11 ARG 55 HH11 ARG 55 109.117 0.229 -10.308 484 HH12 ARG 55 HH12 ARG 55 110.560 0.793 -9.534 485 HH21 ARG 55 HH21 ARG 55 109.589 -0.248 -6.372 486 HH22 ARG 55 HH22 ARG 55 110.828 0.523 -7.306 487 H TRP 56 HN TRP 56 103.132 -2.936 -4.146 488 HA TRP 56 HA TRP 56 104.089 -4.651 -2.183 489 HB2 TRP 56 HB2 TRP 56 102.724 -2.844 -1.495 490 HB3 TRP 56 HB1 TRP 56 101.403 -3.356 -2.545 491 HD1 TRP 56 HD1 TRP 56 99.535 -4.428 -1.241 492 HE1 TRP 56 HE1 TRP 56 99.346 -5.925 0.849 493 HE3 TRP 56 HE3 TRP 56 104.473 -4.837 0.012 494 HZ2 TRP 56 HZ2 TRP 56 101.061 -7.139 2.791 495 HZ3 TRP 56 HZ3 TRP 56 105.166 -6.168 1.973 496 HH2 TRP 56 HH2 TRP 56 103.475 -7.321 3.362 497 H ARG 57 HN ARG 57 101.574 -5.118 -4.594 498 HA ARG 57 HA ARG 57 100.622 -7.608 -3.616 499 HB2 ARG 57 HB2 ARG 57 100.522 -6.381 -6.387 500 HB3 ARG 57 HB1 ARG 57 99.741 -7.900 -5.958 501 HG2 ARG 57 HG2 ARG 57 98.461 -6.757 -4.188 502 HG3 ARG 57 HG1 ARG 57 99.228 -5.232 -4.620 503 HD2 ARG 57 HD2 ARG 57 97.642 -6.901 -6.578 504 HD3 ARG 57 HD1 ARG 57 96.938 -5.592 -5.635 505 HE ARG 57 HE ARG 57 99.195 -4.561 -6.925 506 HH11 ARG 57 HH11 ARG 57 98.951 -3.400 -8.860 507 HH12 ARG 57 HH12 ARG 57 97.533 -3.624 -9.828 508 HH21 ARG 57 HH21 ARG 57 96.123 -5.959 -7.686 509 HH22 ARG 57 HH22 ARG 57 95.931 -5.075 -9.163 510 H ARG 58 HN ARG 58 103.149 -6.707 -5.933 511 HA ARG 58 HA ARG 58 103.742 -9.297 -6.877 512 HB2 ARG 58 HB2 ARG 58 105.435 -6.821 -6.573 513 HB3 ARG 58 HB1 ARG 58 106.040 -8.302 -7.316 514 HG2 ARG 58 HG2 ARG 58 104.227 -8.228 -8.976 515 HG3 ARG 58 HG1 ARG 58 103.574 -6.778 -8.214 516 HD2 ARG 58 HD2 ARG 58 105.613 -5.543 -8.730 517 HD3 ARG 58 HD1 ARG 58 106.354 -6.992 -9.402 518 HE ARG 58 HE ARG 58 103.864 -6.310 -10.683 519 HH11 ARG 58 HH11 ARG 58 104.024 -5.602 -12.836 520 HH12 ARG 58 HH12 ARG 58 105.559 -5.101 -13.465 521 HH21 ARG 58 HH21 ARG 58 107.265 -5.698 -10.506 522 HH22 ARG 58 HH22 ARG 58 107.393 -5.156 -12.146 523 H VAL 59 HN VAL 59 105.290 -7.445 -4.251 524 HA VAL 59 HA VAL 59 107.057 -9.524 -3.431 525 HB VAL 59 HB VAL 59 107.503 -7.242 -2.747 526 HG11 VAL 59 HG11 VAL 59 106.004 -5.974 -1.352 527 HG12 VAL 59 HG12 VAL 59 104.939 -7.361 -1.142 528 HG13 VAL 59 HG13 VAL 59 105.085 -6.586 -2.714 529 HG21 VAL 59 HG21 VAL 59 108.262 -7.777 -0.669 530 HG22 VAL 59 HG22 VAL 59 107.651 -9.385 -1.070 531 HG23 VAL 59 HG23 VAL 59 106.664 -8.279 -0.104 532 H GLY 60 HN GLY 60 103.802 -8.586 -2.359 533 HA2 GLY 60 HA2 GLY 60 103.598 -10.373 -0.189 534 HA3 GLY 60 HA1 GLY 60 102.242 -9.698 -1.084 535 H ASP 61 HN ASP 61 102.614 -10.738 -3.595 536 HA ASP 61 HA ASP 61 101.656 -13.409 -3.261 537 HB2 ASP 61 HB2 ASP 61 102.244 -11.621 -5.592 538 HB3 ASP 61 HB1 ASP 61 101.991 -13.341 -5.875 539 H CYS 62 HN CYS 62 104.705 -11.993 -4.265 540 HA CYS 62 HA CYS 62 105.939 -14.395 -5.148 541 HB2 CYS 62 HB2 CYS 62 107.108 -11.799 -4.131 542 HB3 CYS 62 HB1 CYS 62 108.078 -13.116 -4.787 543 HG CYS 62 HG CYS 62 107.579 -11.730 -6.864 544 H PHE 63 HN PHE 63 105.787 -12.788 -1.993 545 HA PHE 63 HA PHE 63 107.548 -14.739 -0.762 546 HB2 PHE 63 HB2 PHE 63 106.069 -12.301 0.156 547 HB3 PHE 63 HB1 PHE 63 106.672 -13.455 1.346 548 HD1 PHE 63 HD1 PHE 63 108.775 -12.968 2.220 549 HD2 PHE 63 HD2 PHE 63 107.907 -11.911 -1.853 550 HE1 PHE 63 HE1 PHE 63 111.055 -12.025 1.977 551 HE2 PHE 63 HE2 PHE 63 110.188 -10.969 -2.095 552 HZ PHE 63 HZ PHE 63 111.762 -11.026 -0.179 553 H GLN 64 HN GLN 64 104.100 -13.939 -0.760 554 HA GLN 64 HA GLN 64 103.300 -15.834 1.163 555 HB2 GLN 64 HB2 GLN 64 101.836 -14.005 0.441 556 HB3 GLN 64 HB1 GLN 64 101.734 -14.717 -1.169 557 HG2 GLN 64 HG2 GLN 64 100.617 -16.676 -0.315 558 HG3 GLN 64 HG1 GLN 64 100.896 -16.172 1.352 559 HE21 GLN 64 HE21 GLN 64 98.248 -16.669 0.360 560 HE22 GLN 64 HE22 GLN 64 97.409 -15.194 0.332 561 H ASP 65 HN ASP 65 103.524 -16.046 -2.363 562 HA ASP 65 HA ASP 65 102.494 -18.666 -2.600 563 HB2 ASP 65 HB2 ASP 65 102.648 -17.301 -4.552 564 HB3 ASP 65 HB1 ASP 65 104.377 -17.055 -4.309 565 H TYR 66 HN TYR 66 105.881 -17.508 -2.561 566 HA TYR 66 HA TYR 66 107.069 -20.065 -2.598 567 HB2 TYR 66 HB2 TYR 66 108.413 -18.155 -3.117 568 HB3 TYR 66 HB1 TYR 66 108.058 -17.405 -1.562 569 HD1 TYR 66 HD1 TYR 66 110.164 -19.772 -3.342 570 HD2 TYR 66 HD2 TYR 66 108.901 -18.479 0.555 571 HE1 TYR 66 HE1 TYR 66 112.108 -20.930 -2.327 572 HE2 TYR 66 HE2 TYR 66 110.844 -19.638 1.570 573 HH TYR 66 HH TYR 66 112.705 -21.901 -0.096 574 H TYR 67 HN TYR 67 106.212 -17.935 0.105 575 HA TYR 67 HA TYR 67 107.244 -19.559 2.162 576 HB2 TYR 67 HB2 TYR 67 106.577 -17.174 2.441 577 HB3 TYR 67 HB1 TYR 67 104.893 -17.661 2.313 578 HD1 TYR 67 HD1 TYR 67 107.988 -18.699 4.174 579 HD2 TYR 67 HD2 TYR 67 103.747 -18.020 4.316 580 HE1 TYR 67 HE1 TYR 67 107.976 -19.276 6.583 581 HE2 TYR 67 HE2 TYR 67 103.743 -18.590 6.724 582 HH TYR 67 HH TYR 67 104.952 -19.530 8.398 583 H ASN 68 HN ASN 68 103.993 -19.361 0.745 584 HA ASN 68 HA ASN 68 102.783 -21.259 2.459 585 HB2 ASN 68 HB2 ASN 68 102.114 -20.389 -0.367 586 HB3 ASN 68 HB1 ASN 68 101.083 -21.436 0.607 587 HD21 ASN 68 HD21 ASN 68 99.794 -19.176 -0.030 588 HD22 ASN 68 HD22 ASN 68 99.798 -18.047 1.238 589 H THR 69 HN THR 69 104.421 -21.571 -0.685 590 HA THR 69 HA THR 69 103.852 -24.322 -1.079 591 HB THR 69 HB THR 69 105.692 -24.258 -2.729 592 HG1 THR 69 HG1 THR 69 107.227 -22.976 -2.077 593 HG21 THR 69 HG21 THR 69 103.462 -22.363 -2.605 594 HG22 THR 69 HG22 THR 69 103.996 -23.388 -3.938 595 HG23 THR 69 HG23 THR 69 104.765 -21.826 -3.665 596 H PHE 70 HN PHE 70 106.317 -22.627 0.726 597 HA PHE 70 HA PHE 70 107.496 -25.226 1.478 598 HB2 PHE 70 HB2 PHE 70 108.694 -22.448 1.566 599 HB3 PHE 70 HB1 PHE 70 109.483 -23.894 2.190 600 HD1 PHE 70 HD1 PHE 70 109.315 -21.785 -0.584 601 HD2 PHE 70 HD2 PHE 70 109.396 -25.964 0.427 602 HE1 PHE 70 HE1 PHE 70 110.130 -22.328 -2.865 603 HE2 PHE 70 HE2 PHE 70 110.214 -26.499 -1.849 604 HZ PHE 70 HZ PHE 70 110.586 -24.681 -3.494 605 H GLY 71 HN GLY 71 105.153 -23.452 2.525 606 HA2 GLY 71 HA2 GLY 71 105.924 -23.678 5.373 607 HA3 GLY 71 HA1 GLY 71 105.014 -22.308 4.757 608 HA PRO 72 HA PRO 72 101.940 -25.477 6.118 609 HB2 PRO 72 HB2 PRO 72 100.496 -23.857 7.761 610 HB3 PRO 72 HB1 PRO 72 101.964 -24.703 8.290 611 HG2 PRO 72 HG2 PRO 72 101.567 -21.856 7.607 612 HG3 PRO 72 HG1 PRO 72 102.679 -22.604 8.762 613 HD2 PRO 72 HD2 PRO 72 103.349 -21.687 6.190 614 HD3 PRO 72 HD1 PRO 72 104.348 -22.741 7.213 615 H GLU 73 HN GLU 73 99.628 -25.597 5.664 616 HA GLU 73 HA GLU 73 98.881 -24.163 3.312 617 HB2 GLU 73 HB2 GLU 73 97.473 -26.124 5.111 618 HB3 GLU 73 HB1 GLU 73 96.673 -25.373 3.738 619 HG2 GLU 73 HG2 GLU 73 98.346 -26.267 2.209 620 HG3 GLU 73 HG1 GLU 73 99.288 -26.899 3.557 621 H LYS 74 HN LYS 74 98.160 -23.907 6.713 622 HA LYS 74 HA LYS 74 95.896 -22.236 6.570 623 HB2 LYS 74 HB2 LYS 74 97.937 -22.023 8.778 624 HB3 LYS 74 HB1 LYS 74 96.180 -21.863 8.873 625 HG2 LYS 74 HG2 LYS 74 97.775 -24.400 8.392 626 HG3 LYS 74 HG1 LYS 74 96.749 -24.041 9.780 627 HD2 LYS 74 HD2 LYS 74 94.820 -23.831 8.092 628 HD3 LYS 74 HD1 LYS 74 95.914 -24.586 6.927 629 HE2 LYS 74 HE2 LYS 74 96.165 -26.537 8.340 630 HE3 LYS 74 HE1 LYS 74 95.197 -25.789 9.610 631 HZ1 LYS 74 HZ1 LYS 74 94.358 -26.936 7.060 632 HZ2 LYS 74 HZ2 LYS 74 93.504 -25.578 7.619 633 HZ3 LYS 74 HZ3 LYS 74 93.592 -26.982 8.572 634 H VAL 75 HN VAL 75 99.328 -21.494 6.798 635 HA VAL 75 HA VAL 75 100.506 -19.635 6.334 636 HB VAL 75 HB VAL 75 98.107 -18.737 4.756 637 HG11 VAL 75 HG11 VAL 75 99.772 -17.465 3.476 638 HG12 VAL 75 HG12 VAL 75 101.073 -18.125 4.465 639 HG13 VAL 75 HG13 VAL 75 99.895 -17.022 5.179 640 HG21 VAL 75 HG21 VAL 75 98.961 -21.064 4.223 641 HG22 VAL 75 HG22 VAL 75 100.521 -20.337 3.856 642 HG23 VAL 75 HG23 VAL 75 99.110 -19.923 2.889 643 HA PRO 76 HA PRO 76 99.298 -16.902 9.700 644 HB2 PRO 76 HB2 PRO 76 101.037 -14.934 8.277 645 HB3 PRO 76 HB1 PRO 76 101.071 -15.440 9.977 646 HG2 PRO 76 HG2 PRO 76 102.888 -16.278 8.212 647 HG3 PRO 76 HG1 PRO 76 102.312 -17.308 9.533 648 HD2 PRO 76 HD2 PRO 76 101.714 -17.457 6.629 649 HD3 PRO 76 HD1 PRO 76 101.747 -18.742 7.870 650 H VAL 77 HN VAL 77 97.461 -15.783 9.799 651 HA VAL 77 HA VAL 77 96.317 -14.518 7.427 652 HB VAL 77 HB VAL 77 95.242 -14.682 10.247 653 HG11 VAL 77 HG11 VAL 77 93.652 -13.299 9.454 654 HG12 VAL 77 HG12 VAL 77 93.176 -14.578 8.338 655 HG13 VAL 77 HG13 VAL 77 94.341 -13.357 7.830 656 HG21 VAL 77 HG21 VAL 77 94.669 -16.859 9.818 657 HG22 VAL 77 HG22 VAL 77 95.629 -16.782 8.330 658 HG23 VAL 77 HG23 VAL 77 93.908 -16.381 8.302 659 H THR 78 HN THR 78 98.039 -13.574 10.277 660 HA THR 78 HA THR 78 97.223 -10.982 10.696 661 HB THR 78 HB THR 78 99.381 -10.562 11.615 662 HG1 THR 78 HG1 THR 78 101.115 -12.044 11.026 663 HG21 THR 78 HG21 THR 78 99.279 -12.205 13.172 664 HG22 THR 78 HG22 THR 78 99.584 -13.465 11.976 665 HG23 THR 78 HG23 THR 78 97.948 -12.853 12.212 666 H ALA 79 HN ALA 79 98.953 -12.290 7.961 667 HA ALA 79 HA ALA 79 100.023 -9.944 6.879 668 HB1 ALA 79 HB1 ALA 79 99.203 -12.601 5.796 669 HB2 ALA 79 HB2 ALA 79 100.800 -11.849 5.839 670 HB3 ALA 79 HB3 ALA 79 99.604 -11.305 4.662 671 H PHE 80 HN PHE 80 96.777 -11.089 7.034 672 HA PHE 80 HA PHE 80 95.679 -9.693 4.815 673 HB2 PHE 80 HB2 PHE 80 94.525 -10.926 7.303 674 HB3 PHE 80 HB1 PHE 80 93.518 -9.961 6.251 675 HD1 PHE 80 HD1 PHE 80 92.358 -11.085 4.579 676 HD2 PHE 80 HD2 PHE 80 96.125 -12.646 5.930 677 HE1 PHE 80 HE1 PHE 80 92.116 -13.007 3.034 678 HE2 PHE 80 HE2 PHE 80 95.882 -14.569 4.385 679 HZ PHE 80 HZ PHE 80 93.877 -14.749 2.936 680 H SER 81 HN SER 81 96.223 -8.860 8.209 681 HA SER 81 HA SER 81 94.770 -6.421 8.181 682 HB2 SER 81 HB2 SER 81 96.047 -5.909 10.235 683 HB3 SER 81 HB1 SER 81 95.369 -7.534 10.270 684 HG SER 81 HG SER 81 97.388 -8.014 10.710 685 H TYR 82 HN TYR 82 98.075 -7.294 7.339 686 HA TYR 82 HA TYR 82 99.209 -4.727 7.245 687 HB2 TYR 82 HB2 TYR 82 99.794 -7.330 5.913 688 HB3 TYR 82 HB1 TYR 82 100.603 -5.887 5.324 689 HD1 TYR 82 HD1 TYR 82 102.241 -4.732 6.624 690 HD2 TYR 82 HD2 TYR 82 100.106 -8.076 8.275 691 HE1 TYR 82 HE1 TYR 82 103.829 -4.817 8.534 692 HE2 TYR 82 HE2 TYR 82 101.692 -8.156 10.179 693 HH TYR 82 HH TYR 82 104.258 -5.724 10.538 694 H TRP 83 HN TRP 83 97.652 -6.636 4.660 695 HA TRP 83 HA TRP 83 97.929 -4.717 2.624 696 HB2 TRP 83 HB2 TRP 83 97.269 -6.990 2.113 697 HB3 TRP 83 HB1 TRP 83 95.778 -6.798 3.037 698 HD1 TRP 83 HD1 TRP 83 97.525 -5.012 0.072 699 HE1 TRP 83 HE1 TRP 83 95.710 -4.317 -1.622 700 HE3 TRP 83 HE3 TRP 83 93.352 -6.615 2.542 701 HZ2 TRP 83 HZ2 TRP 83 92.864 -4.427 -1.894 702 HZ3 TRP 83 HZ3 TRP 83 91.104 -6.307 1.544 703 HH2 TRP 83 HH2 TRP 83 90.856 -5.216 -0.669 704 H ASN 84 HN ASN 84 95.229 -5.259 4.885 705 HA ASN 84 HA ASN 84 93.565 -3.211 3.888 706 HB2 ASN 84 HB2 ASN 84 93.776 -4.575 6.567 707 HB3 ASN 84 HB1 ASN 84 92.581 -3.318 6.258 708 HD21 ASN 84 HD21 ASN 84 91.850 -6.059 6.813 709 HD22 ASN 84 HD22 ASN 84 91.124 -6.693 5.415 710 H LEU 85 HN LEU 85 96.072 -3.162 6.426 711 HA LEU 85 HA LEU 85 95.550 -0.499 7.240 712 HB2 LEU 85 HB2 LEU 85 96.745 -2.165 8.635 713 HB3 LEU 85 HB1 LEU 85 98.084 -2.132 7.491 714 HG LEU 85 HG LEU 85 98.338 0.315 7.895 715 HD11 LEU 85 HD11 LEU 85 96.367 1.218 8.653 716 HD12 LEU 85 HD12 LEU 85 97.124 0.918 10.216 717 HD13 LEU 85 HD13 LEU 85 95.937 -0.216 9.583 718 HD21 LEU 85 HD21 LEU 85 98.722 -1.811 9.917 719 HD22 LEU 85 HD22 LEU 85 98.801 -0.166 10.550 720 HD23 LEU 85 HD23 LEU 85 99.886 -0.663 9.253 721 H ILE 86 HN ILE 86 98.324 -1.829 5.427 722 HA ILE 86 HA ILE 86 99.414 0.607 4.655 723 HB ILE 86 HB ILE 86 99.641 -2.199 3.785 724 HG12 ILE 86 HG12 ILE 86 101.879 -0.207 3.782 725 HG13 ILE 86 HG11 ILE 86 101.152 -0.605 5.340 726 HG21 ILE 86 HG21 ILE 86 100.311 0.099 1.940 727 HG22 ILE 86 HG22 ILE 86 99.283 -1.292 1.576 728 HG23 ILE 86 HG23 ILE 86 101.019 -1.498 1.778 729 HD11 ILE 86 HD11 ILE 86 102.984 -2.130 4.974 730 HD12 ILE 86 HD12 ILE 86 102.400 -2.523 3.354 731 HD13 ILE 86 HD13 ILE 86 101.497 -3.046 4.778 732 H LYS 87 HN LYS 87 96.803 -1.246 3.258 733 HA LYS 87 HA LYS 87 96.585 0.017 0.776 734 HB2 LYS 87 HB2 LYS 87 95.241 -1.883 1.061 735 HB3 LYS 87 HB1 LYS 87 94.574 -1.301 2.588 736 HG2 LYS 87 HG2 LYS 87 93.259 0.380 1.465 737 HG3 LYS 87 HG1 LYS 87 94.072 0.059 -0.076 738 HD2 LYS 87 HD2 LYS 87 93.123 -2.215 -0.095 739 HD3 LYS 87 HD1 LYS 87 92.340 -1.901 1.455 740 HE2 LYS 87 HE2 LYS 87 91.053 -0.065 0.453 741 HE3 LYS 87 HE1 LYS 87 91.848 -0.337 -1.097 742 HZ1 LYS 87 HZ1 LYS 87 90.190 -1.737 -1.508 743 HZ2 LYS 87 HZ2 LYS 87 89.671 -1.748 0.110 744 HZ3 LYS 87 HZ3 LYS 87 90.913 -2.791 -0.395 745 H GLU 88 HN GLU 88 95.068 0.910 3.914 746 HA GLU 88 HA GLU 88 93.988 3.300 2.721 747 HB2 GLU 88 HB2 GLU 88 92.652 3.385 4.571 748 HB3 GLU 88 HB1 GLU 88 93.065 1.674 4.601 749 HG2 GLU 88 HG2 GLU 88 93.470 2.333 6.810 750 HG3 GLU 88 HG1 GLU 88 95.072 2.391 6.095 751 H LEU 89 HN LEU 89 96.833 2.326 4.332 752 HA LEU 89 HA LEU 89 97.460 4.565 5.844 753 HB2 LEU 89 HB2 LEU 89 98.704 2.383 5.795 754 HB3 LEU 89 HB1 LEU 89 99.423 2.883 4.279 755 HG LEU 89 HG LEU 89 100.317 4.886 5.420 756 HD11 LEU 89 HD11 LEU 89 99.213 5.441 7.325 757 HD12 LEU 89 HD12 LEU 89 100.359 4.334 8.080 758 HD13 LEU 89 HD13 LEU 89 98.745 3.771 7.649 759 HD21 LEU 89 HD21 LEU 89 101.560 2.652 5.212 760 HD22 LEU 89 HD22 LEU 89 101.190 2.428 6.922 761 HD23 LEU 89 HD23 LEU 89 102.171 3.797 6.401 762 H ILE 90 HN ILE 90 98.044 3.861 2.430 763 HA ILE 90 HA ILE 90 99.554 6.183 1.903 764 HB ILE 90 HB ILE 90 97.811 4.506 0.063 765 HG12 ILE 90 HG12 ILE 90 100.766 4.615 0.699 766 HG13 ILE 90 HG11 ILE 90 99.663 3.296 1.033 767 HG21 ILE 90 HG21 ILE 90 99.046 5.626 -1.795 768 HG22 ILE 90 HG22 ILE 90 99.867 6.661 -0.626 769 HG23 ILE 90 HG23 ILE 90 98.131 6.801 -0.879 770 HD11 ILE 90 HD11 ILE 90 100.803 2.647 -0.968 771 HD12 ILE 90 HD12 ILE 90 100.638 4.252 -1.664 772 HD13 ILE 90 HD13 ILE 90 99.223 3.216 -1.498 773 H ASP 91 HN ASP 91 96.068 5.514 1.698 774 HA ASP 91 HA ASP 91 95.179 7.856 0.515 775 HB2 ASP 91 HB2 ASP 91 93.914 6.086 2.606 776 HB3 ASP 91 HB1 ASP 91 93.067 7.460 1.904 777 H LYS 92 HN LYS 92 96.705 7.476 3.524 778 HA LYS 92 HA LYS 92 95.527 9.644 4.938 779 HB2 LYS 92 HB2 LYS 92 97.074 7.692 5.776 780 HB3 LYS 92 HB1 LYS 92 98.376 8.808 5.365 781 HG2 LYS 92 HG2 LYS 92 97.456 10.509 6.841 782 HG3 LYS 92 HG1 LYS 92 96.041 9.508 7.175 783 HD2 LYS 92 HD2 LYS 92 97.522 7.777 8.159 784 HD3 LYS 92 HD1 LYS 92 98.908 8.834 7.885 785 HE2 LYS 92 HE2 LYS 92 97.958 10.536 9.346 786 HE3 LYS 92 HE1 LYS 92 96.490 9.580 9.553 787 HZ1 LYS 92 HZ1 LYS 92 99.227 8.796 10.397 788 HZ2 LYS 92 HZ2 LYS 92 97.844 7.819 10.539 789 HZ3 LYS 92 HZ3 LYS 92 97.958 9.267 11.421 790 H LYS 93 HN LYS 93 96.057 11.778 5.026 791 HA LYS 93 HA LYS 93 97.637 12.825 2.821 792 HB2 LYS 93 HB2 LYS 93 96.758 14.983 3.468 793 HB3 LYS 93 HB1 LYS 93 95.436 13.817 3.482 794 HG2 LYS 93 HG2 LYS 93 95.773 13.536 5.951 795 HG3 LYS 93 HG1 LYS 93 96.980 14.821 5.898 796 HD2 LYS 93 HD2 LYS 93 95.285 16.376 5.001 797 HD3 LYS 93 HD1 LYS 93 94.073 15.097 5.093 798 HE2 LYS 93 HE2 LYS 93 94.477 14.922 7.541 799 HE3 LYS 93 HE1 LYS 93 95.624 16.256 7.425 800 HZ1 LYS 93 HZ1 LYS 93 93.382 16.960 8.104 801 HZ2 LYS 93 HZ2 LYS 93 92.775 16.415 6.613 802 HZ3 LYS 93 HZ3 LYS 93 93.890 17.696 6.663 803 H GLU 94 HN GLU 94 98.490 11.597 5.684 804 HA GLU 94 HA GLU 94 100.412 13.712 6.383 805 HB2 GLU 94 HB2 GLU 94 98.928 12.591 8.133 806 HB3 GLU 94 HB1 GLU 94 99.910 11.146 7.889 807 HG2 GLU 94 HG2 GLU 94 101.936 12.376 8.506 808 HG3 GLU 94 HG1 GLU 94 101.009 13.865 8.656 809 H VAL 95 HN VAL 95 101.156 12.722 4.041 810 HA VAL 95 HA VAL 95 103.240 10.705 4.642 811 HB VAL 95 HB VAL 95 102.063 11.366 1.934 812 HG11 VAL 95 HG11 VAL 95 104.415 10.054 2.654 813 HG12 VAL 95 HG12 VAL 95 103.591 9.934 1.099 814 HG13 VAL 95 HG13 VAL 95 103.269 8.748 2.364 815 HG21 VAL 95 HG21 VAL 95 100.951 9.857 4.107 816 HG22 VAL 95 HG22 VAL 95 101.377 8.753 2.799 817 HG23 VAL 95 HG23 VAL 95 100.296 10.109 2.490 818 H ASN 96 HN ASN 96 105.286 11.316 4.478 819 HA ASN 96 HA ASN 96 106.214 13.857 4.363 820 HB2 ASN 96 HB2 ASN 96 107.372 11.230 4.022 821 HB3 ASN 96 HB1 ASN 96 108.173 12.397 2.981 822 HD21 ASN 96 HD21 ASN 96 110.096 12.774 4.180 823 HD22 ASN 96 HD22 ASN 96 110.102 13.374 5.768 824 HA PRO 97 HA PRO 97 106.049 15.813 0.416 825 HB2 PRO 97 HB2 PRO 97 109.002 15.475 0.161 826 HB3 PRO 97 HB1 PRO 97 108.011 16.933 -0.029 827 HG2 PRO 97 HG2 PRO 97 109.484 16.447 2.169 828 HG3 PRO 97 HG1 PRO 97 107.971 17.363 2.204 829 HD2 PRO 97 HD2 PRO 97 108.536 14.675 3.255 830 HD3 PRO 97 HD1 PRO 97 107.205 15.782 3.645 831 H GLN 98 HN GLN 98 107.599 12.742 0.797 832 HA GLN 98 HA GLN 98 108.244 11.960 -1.746 833 HB2 GLN 98 HB2 GLN 98 107.994 9.750 -1.037 834 HB3 GLN 98 HB1 GLN 98 108.247 10.614 0.474 835 HG2 GLN 98 HG2 GLN 98 105.649 10.855 0.462 836 HG3 GLN 98 HG1 GLN 98 105.711 9.485 -0.645 837 HE21 GLN 98 HE21 GLN 98 105.194 7.670 0.613 838 HE22 GLN 98 HE22 GLN 98 105.914 7.299 2.105 839 H VAL 99 HN VAL 99 105.201 13.047 -0.716 840 HA VAL 99 HA VAL 99 103.445 11.508 -2.282 841 HB VAL 99 HB VAL 99 103.310 14.415 -1.463 842 HG11 VAL 99 HG11 VAL 99 100.729 13.540 -1.766 843 HG12 VAL 99 HG12 VAL 99 101.539 12.724 -3.105 844 HG13 VAL 99 HG13 VAL 99 101.611 14.481 -2.969 845 HG21 VAL 99 HG21 VAL 99 101.854 12.028 -0.309 846 HG22 VAL 99 HG22 VAL 99 102.034 13.635 0.395 847 HG23 VAL 99 HG23 VAL 99 103.423 12.553 0.300 848 H MET 100 HN MET 100 105.171 14.524 -3.080 849 HA MET 100 HA MET 100 104.146 14.737 -5.722 850 HB2 MET 100 HB2 MET 100 106.625 15.887 -4.421 851 HB3 MET 100 HB1 MET 100 106.086 16.309 -6.044 852 HG2 MET 100 HG2 MET 100 104.384 16.616 -3.555 853 HG3 MET 100 HG1 MET 100 105.307 17.925 -4.285 854 HE1 MET 100 HE1 MET 100 104.713 17.348 -7.671 855 HE2 MET 100 HE2 MET 100 105.276 18.559 -6.522 856 HE3 MET 100 HE3 MET 100 103.801 18.846 -7.438 857 H ALA 101 HN ALA 101 106.998 13.222 -4.352 858 HA ALA 101 HA ALA 101 108.052 12.486 -6.957 859 HB1 ALA 101 HB1 ALA 101 108.922 12.117 -4.101 860 HB2 ALA 101 HB2 ALA 101 109.789 12.880 -5.437 861 HB3 ALA 101 HB3 ALA 101 109.648 11.121 -5.375 862 H ALA 102 HN ALA 102 105.911 11.199 -4.664 863 HA ALA 102 HA ALA 102 106.266 8.412 -5.406 864 HB1 ALA 102 HB1 ALA 102 105.600 8.825 -3.127 865 HB2 ALA 102 HB2 ALA 102 104.229 8.072 -3.959 866 HB3 ALA 102 HB3 ALA 102 104.226 9.807 -3.662 867 H VAL 103 HN VAL 103 103.759 10.903 -5.851 868 HA VAL 103 HA VAL 103 101.872 9.570 -7.301 869 HB VAL 103 HB VAL 103 102.977 12.356 -7.671 870 HG11 VAL 103 HG11 VAL 103 102.046 11.946 -9.798 871 HG12 VAL 103 HG12 VAL 103 100.697 12.650 -8.908 872 HG13 VAL 103 HG13 VAL 103 100.780 10.906 -9.147 873 HG21 VAL 103 HG21 VAL 103 101.433 12.945 -6.107 874 HG22 VAL 103 HG22 VAL 103 101.383 11.227 -5.711 875 HG23 VAL 103 HG23 VAL 103 100.193 11.912 -6.817 876 H ALA 104 HN ALA 104 105.127 9.948 -8.152 877 HA ALA 104 HA ALA 104 105.078 10.041 -10.950 878 HB1 ALA 104 HB1 ALA 104 107.005 8.965 -8.920 879 HB2 ALA 104 HB2 ALA 104 107.213 10.288 -10.069 880 HB3 ALA 104 HB3 ALA 104 107.269 8.617 -10.629 881 H GLN 105 HN GLN 105 104.403 7.437 -8.718 882 HA GLN 105 HA GLN 105 103.938 5.191 -9.057 883 HB2 GLN 105 HB2 GLN 105 102.411 6.563 -11.281 884 HB3 GLN 105 HB1 GLN 105 102.159 4.884 -10.810 885 HG2 GLN 105 HG2 GLN 105 101.596 5.587 -8.527 886 HG3 GLN 105 HG1 GLN 105 101.874 7.270 -8.970 887 HE21 GLN 105 HE21 GLN 105 99.386 7.002 -8.092 888 HE22 GLN 105 HE22 GLN 105 98.248 6.855 -9.343 889 H THR 106 HN THR 106 103.357 3.823 -11.464 890 HA THR 106 HA THR 106 105.925 2.993 -12.258 891 HB THR 106 HB THR 106 103.404 2.623 -13.881 892 HG1 THR 106 HG1 THR 106 104.311 1.297 -11.548 893 HG21 THR 106 HG21 THR 106 105.848 1.875 -14.559 894 HG22 THR 106 HG22 THR 106 104.485 0.782 -14.798 895 HG23 THR 106 HG23 THR 106 105.543 0.580 -13.402 896 H GLU 107 HN GLU 107 103.536 5.086 -13.869 897 HA GLU 107 HA GLU 107 105.716 6.098 -15.599 898 HB2 GLU 107 HB2 GLU 107 102.841 5.555 -16.373 899 HB3 GLU 107 HB1 GLU 107 104.012 6.402 -17.386 900 HG2 GLU 107 HG2 GLU 107 105.494 4.412 -17.318 901 HG3 GLU 107 HG1 GLU 107 104.282 3.559 -16.363 902 H GLU 108 HN GLU 108 105.477 8.298 -16.297 903 HA GLU 108 HA GLU 108 104.491 10.013 -14.233 904 HB2 GLU 108 HB2 GLU 108 105.565 10.600 -17.004 905 HB3 GLU 108 HB1 GLU 108 105.177 11.842 -15.811 906 HG2 GLU 108 HG2 GLU 108 107.133 9.571 -15.336 907 HG3 GLU 108 HG1 GLU 108 107.605 11.199 -15.821 908 H ILE 109 HN ILE 109 102.486 10.712 -13.975 909 HA ILE 109 HA ILE 109 100.317 10.047 -15.542 910 HB ILE 109 HB ILE 109 99.146 11.955 -14.411 911 HG12 ILE 109 HG12 ILE 109 101.859 12.533 -13.179 912 HG13 ILE 109 HG11 ILE 109 101.188 13.477 -14.507 913 HG21 ILE 109 HG21 ILE 109 99.732 11.204 -12.032 914 HG22 ILE 109 HG22 ILE 109 100.953 10.165 -12.762 915 HG23 ILE 109 HG23 ILE 109 99.245 9.924 -13.139 916 HD11 ILE 109 HD11 ILE 109 99.228 14.042 -13.131 917 HD12 ILE 109 HD12 ILE 109 100.716 14.538 -12.326 918 HD13 ILE 109 HD13 ILE 109 99.876 13.078 -11.804 919 H LEU 110 HN LEU 110 102.647 12.578 -16.023 920 HA LEU 110 HA LEU 110 101.165 14.237 -17.766 921 HB2 LEU 110 HB2 LEU 110 104.142 13.700 -17.614 922 HB3 LEU 110 HB1 LEU 110 103.407 15.011 -18.535 923 HG LEU 110 HG LEU 110 103.074 14.595 -15.551 924 HD11 LEU 110 HD11 LEU 110 105.322 15.249 -15.834 925 HD12 LEU 110 HD12 LEU 110 104.474 16.763 -15.518 926 HD13 LEU 110 HD13 LEU 110 104.932 16.336 -17.167 927 HD21 LEU 110 HD21 LEU 110 102.435 17.183 -16.002 928 HD22 LEU 110 HD22 LEU 110 101.238 15.888 -16.039 929 HD23 LEU 110 HD23 LEU 110 101.928 16.496 -17.543 930 H LYS 111 HN LYS 111 103.254 11.431 -18.346 931 HA LYS 111 HA LYS 111 103.167 11.506 -21.164 932 HB2 LYS 111 HB2 LYS 111 104.785 10.152 -19.851 933 HB3 LYS 111 HB1 LYS 111 103.469 9.078 -19.375 934 HG2 LYS 111 HG2 LYS 111 103.038 8.549 -21.752 935 HG3 LYS 111 HG1 LYS 111 104.348 9.630 -22.228 936 HD2 LYS 111 HD2 LYS 111 105.956 8.249 -20.976 937 HD3 LYS 111 HD1 LYS 111 104.649 7.172 -20.480 938 HE2 LYS 111 HE2 LYS 111 105.843 6.237 -22.418 939 HE3 LYS 111 HE1 LYS 111 104.186 6.652 -22.855 940 HZ1 LYS 111 HZ1 LYS 111 106.267 8.681 -23.211 941 HZ2 LYS 111 HZ2 LYS 111 104.853 8.410 -24.112 942 HZ3 LYS 111 HZ3 LYS 111 106.204 7.402 -24.322 943 H SER 112 HN SER 112 101.190 9.736 -18.796 944 HA SER 112 HA SER 112 99.282 8.452 -19.111 945 HB2 SER 112 HB2 SER 112 98.515 10.827 -18.926 946 HB3 SER 112 HB1 SER 112 98.507 10.917 -20.685 947 HG SER 112 HG SER 112 96.641 9.975 -20.617 948 H ASN 113 HN ASN 113 97.834 9.580 -21.780 949 HA ASN 113 HA ASN 113 98.191 7.197 -23.279 950 HB2 ASN 113 HB2 ASN 113 96.140 8.514 -23.456 951 HB3 ASN 113 HB1 ASN 113 97.048 9.870 -24.125 952 HD21 ASN 113 HD21 ASN 113 95.743 9.698 -26.130 953 HD22 ASN 113 HD22 ASN 113 96.062 8.464 -27.250 954 H SER 114 HN SER 114 99.551 10.448 -23.563 955 HA SER 114 HA SER 114 101.808 9.403 -25.056 956 HB2 SER 114 HB2 SER 114 101.481 11.082 -26.909 957 HB3 SER 114 HB1 SER 114 100.329 9.750 -26.911 958 HG SER 114 HG SER 114 98.792 11.136 -26.571 959 H GLN 115 HN GLN 115 103.471 11.074 -25.413 960 HA GLN 115 HA GLN 115 103.846 12.662 -23.086 961 HB2 GLN 115 HB2 GLN 115 105.301 12.612 -25.739 962 HB3 GLN 115 HB1 GLN 115 105.831 13.542 -24.337 963 HG2 GLN 115 HG2 GLN 115 105.988 11.488 -23.004 964 HG3 GLN 115 HG1 GLN 115 105.405 10.541 -24.372 965 HE21 GLN 115 HE21 GLN 115 107.754 9.586 -23.677 966 HE22 GLN 115 HE22 GLN 115 109.040 10.193 -24.602 967 H THR 116 HN THR 116 102.990 14.577 -22.640 968 HA THR 116 HA THR 116 102.070 16.282 -24.873 969 HB THR 116 HB THR 116 100.545 17.307 -23.229 970 HG1 THR 116 HG1 THR 116 100.751 16.881 -21.187 971 HG21 THR 116 HG21 THR 116 99.154 15.215 -22.805 972 HG22 THR 116 HG22 THR 116 100.482 14.299 -23.515 973 HG23 THR 116 HG23 THR 116 99.621 15.495 -24.483 974 H ASP 117 HN ASP 117 103.504 16.458 -21.608 975 HA ASP 117 HA ASP 117 104.229 19.189 -21.765 976 HB2 ASP 117 HB2 ASP 117 104.107 17.966 -19.636 977 HB3 ASP 117 HB1 ASP 117 105.467 16.961 -20.130 978 H LEU 118 HN LEU 118 106.186 16.239 -22.204 979 HA LEU 118 HA LEU 118 108.533 17.603 -23.001 980 HB2 LEU 118 HB2 LEU 118 108.481 15.241 -22.189 981 HB3 LEU 118 HB1 LEU 118 107.707 14.777 -23.700 982 HG LEU 118 HG LEU 118 109.660 15.683 -24.956 983 HD11 LEU 118 HD11 LEU 118 111.739 15.872 -23.257 984 HD12 LEU 118 HD12 LEU 118 110.461 16.459 -22.194 985 HD13 LEU 118 HD13 LEU 118 110.773 17.269 -23.727 986 HD21 LEU 118 HD21 LEU 118 111.322 13.929 -24.054 987 HD22 LEU 118 HD22 LEU 118 109.746 13.348 -24.588 988 HD23 LEU 118 HD23 LEU 118 110.075 13.545 -22.867 989 H GLU 119 HN GLU 119 105.834 16.213 -24.808 990 HA GLU 119 HA GLU 119 105.179 16.429 -26.995 991 HB2 GLU 119 HB2 GLU 119 105.169 18.832 -26.355 992 HB3 GLU 119 HB1 GLU 119 106.844 18.956 -26.894 993 HG2 GLU 119 HG2 GLU 119 106.197 18.302 -29.161 994 HG3 GLU 119 HG1 GLU 119 104.525 18.089 -28.643 995 H HIS 120 HN HIS 120 106.011 14.905 -28.286 996 HA HIS 120 HA HIS 120 108.865 14.919 -28.930 997 HB2 HIS 120 HB2 HIS 120 107.319 12.848 -28.351 998 HB3 HIS 120 HB1 HIS 120 106.952 12.927 -30.074 999 HD1 HIS 120 HD1 HIS 120 110.120 13.103 -27.934 1000 HD2 HIS 120 HD2 HIS 120 108.776 11.466 -31.526 1001 HE1 HIS 120 HE1 HIS 120 112.069 11.808 -28.905 1002 HE2 HIS 120 HE2 HIS 120 111.266 10.804 -31.095 1003 H HIS 121 HN HIS 121 109.618 15.868 -30.701 1004 HA HIS 121 HA HIS 121 108.002 15.905 -33.144 1005 HB2 HIS 121 HB2 HIS 121 107.537 18.034 -31.892 1006 HB3 HIS 121 HB1 HIS 121 109.250 18.428 -32.039 1007 HD1 HIS 121 HD1 HIS 121 110.173 18.874 -34.459 1008 HD2 HIS 121 HD2 HIS 121 106.042 18.349 -34.269 1009 HE1 HIS 121 HE1 HIS 121 109.248 19.664 -36.680 1010 HE2 HIS 121 HE2 HIS 121 106.730 19.351 -36.580 1011 H HIS 122 HN HIS 122 109.207 15.830 -34.992 1012 HA HIS 122 HA HIS 122 112.146 15.750 -34.646 1013 HB2 HIS 122 HB2 HIS 122 110.399 14.298 -36.647 1014 HB3 HIS 122 HB1 HIS 122 112.160 14.226 -36.592 1015 HD1 HIS 122 HD1 HIS 122 113.202 13.229 -34.307 1016 HD2 HIS 122 HD2 HIS 122 109.129 12.555 -34.885 1017 HE1 HIS 122 HE1 HIS 122 112.546 11.387 -32.698 1018 HE2 HIS 122 HE2 HIS 122 110.065 10.964 -33.039 1019 H HIS 123 HN HIS 123 113.340 17.146 -35.778 1020 HA HIS 123 HA HIS 123 111.995 18.765 -37.855 1021 HB2 HIS 123 HB2 HIS 123 114.328 19.412 -36.043 1022 HB3 HIS 123 HB1 HIS 123 113.794 20.443 -37.370 1023 HD1 HIS 123 HD1 HIS 123 112.906 19.380 -33.910 1024 HD2 HIS 123 HD2 HIS 123 111.196 21.637 -36.971 1025 HE1 HIS 123 HE1 HIS 123 110.967 20.638 -32.875 1026 HE2 HIS 123 HE2 HIS 123 109.915 22.018 -34.729 1027 H HIS 124 HN HIS 124 112.684 18.601 -39.885 1028 HA HIS 124 HA HIS 124 115.229 17.184 -40.394 1029 HB2 HIS 124 HB2 HIS 124 112.725 17.437 -42.074 1030 HB3 HIS 124 HB1 HIS 124 114.228 16.712 -42.645 1031 HD1 HIS 124 HD1 HIS 124 114.797 14.361 -41.835 1032 HD2 HIS 124 HD2 HIS 124 111.431 15.941 -39.953 1033 HE1 HIS 124 HE1 HIS 124 113.749 12.461 -40.530 1034 HE2 HIS 124 HE2 HIS 124 111.694 13.408 -39.376 1035 H HIS 125 HN HIS 125 116.712 18.035 -41.815 1036 HA HIS 125 HA HIS 125 116.117 20.605 -43.099 1037 HB2 HIS 125 HB2 HIS 125 117.082 21.152 -40.887 1038 HB3 HIS 125 HB1 HIS 125 118.500 20.177 -41.280 1039 HD1 HIS 125 HD1 HIS 125 120.016 21.038 -43.275 1040 HD2 HIS 125 HD2 HIS 125 117.053 23.706 -42.059 1041 HE1 HIS 125 HE1 HIS 125 120.612 23.281 -44.289 1042 HE2 HIS 125 HE2 HIS 125 118.815 24.919 -43.557 Start of MODEL 14 1 H21 MYR 1 1H2 MYR 1 115.850 9.113 -0.024 2 H22 MYR 1 2H2 MYR 1 115.149 9.721 1.313 3 H31 MYR 1 1H3 MYR 1 113.472 10.734 -0.191 4 H32 MYR 1 2H3 MYR 1 114.075 9.782 -1.366 5 H41 MYR 1 1H4 MYR 1 113.081 7.987 -0.585 6 H42 MYR 1 2H4 MYR 1 113.420 8.361 0.963 7 H51 MYR 1 1H5 MYR 1 111.538 10.135 0.167 8 H52 MYR 1 2H5 MYR 1 111.009 8.676 -0.337 9 H61 MYR 1 1H6 MYR 1 111.751 9.311 2.382 10 H62 MYR 1 2H6 MYR 1 110.217 9.142 1.858 11 H71 MYR 1 1H7 MYR 1 111.584 6.831 1.331 12 H72 MYR 1 2H7 MYR 1 111.795 7.216 2.901 13 H81 MYR 1 1H8 MYR 1 109.333 7.343 3.026 14 H82 MYR 1 2H8 MYR 1 109.329 6.564 1.594 15 H91 MYR 1 1H9 MYR 1 110.576 4.767 2.706 16 H92 MYR 1 2H9 MYR 1 110.231 5.504 4.116 17 H101 MYR 1 1H10 MYR 1 107.847 5.295 3.415 18 H102 MYR 1 2H10 MYR 1 108.389 4.193 2.344 19 H111 MYR 1 1H11 MYR 1 109.429 3.164 4.457 20 H112 MYR 1 2H11 MYR 1 108.193 3.936 5.179 21 H121 MYR 1 1H12 MYR 1 106.859 2.304 4.622 22 H122 MYR 1 2H12 MYR 1 107.129 2.621 3.048 23 H131 MYR 1 1H13 MYR 1 108.525 0.920 2.814 24 H132 MYR 1 2H13 MYR 1 109.172 1.118 4.294 25 H141 MYR 1 1H14 MYR 1 106.579 -0.080 3.883 26 H142 MYR 1 2H14 MYR 1 107.948 -0.954 4.067 27 H143 MYR 1 3H14 MYR 1 107.405 -0.024 5.294 28 H GLY 2 HN GLY 2 117.435 9.928 -0.637 29 HA2 GLY 2 HA2 GLY 2 119.281 10.899 0.330 30 HA3 GLY 2 HA1 GLY 2 118.375 12.407 0.265 31 H GLN 3 HN GLN 3 118.606 13.317 2.218 32 HA GLN 3 HA GLN 3 119.025 12.008 4.655 33 HB2 GLN 3 HB2 GLN 3 119.461 14.412 4.287 34 HB3 GLN 3 HB1 GLN 3 117.723 14.703 4.198 35 HG2 GLN 3 HG2 GLN 3 117.416 13.964 6.480 36 HG3 GLN 3 HG1 GLN 3 119.097 13.444 6.587 37 HE21 GLN 3 HE21 GLN 3 118.262 15.276 8.490 38 HE22 GLN 3 HE22 GLN 3 118.911 16.809 8.157 39 H GLU 4 HN GLU 4 116.108 12.679 2.900 40 HA GLU 4 HA GLU 4 114.124 12.587 4.795 41 HB2 GLU 4 HB2 GLU 4 113.903 12.795 2.252 42 HB3 GLU 4 HB1 GLU 4 113.940 11.032 2.220 43 HG2 GLU 4 HG2 GLU 4 112.008 10.938 3.726 44 HG3 GLU 4 HG1 GLU 4 111.994 12.698 3.824 45 H LEU 5 HN LEU 5 116.349 10.139 3.977 46 HA LEU 5 HA LEU 5 115.086 7.734 4.460 47 HB2 LEU 5 HB2 LEU 5 117.489 7.951 3.870 48 HB3 LEU 5 HB1 LEU 5 117.823 8.530 5.499 49 HG LEU 5 HG LEU 5 116.946 6.388 6.422 50 HD11 LEU 5 HD11 LEU 5 116.320 5.970 3.542 51 HD12 LEU 5 HD12 LEU 5 115.471 5.398 4.976 52 HD13 LEU 5 HD13 LEU 5 116.927 4.571 4.428 53 HD21 LEU 5 HD21 LEU 5 119.145 6.181 4.347 54 HD22 LEU 5 HD22 LEU 5 118.817 4.947 5.564 55 HD23 LEU 5 HD23 LEU 5 119.333 6.559 6.060 56 H SER 6 HN SER 6 116.014 10.202 6.783 57 HA SER 6 HA SER 6 115.778 8.777 9.165 58 HB2 SER 6 HB2 SER 6 115.309 10.935 10.221 59 HB3 SER 6 HB1 SER 6 116.587 11.107 9.021 60 HG SER 6 HG SER 6 115.131 12.005 7.618 61 H GLN 7 HN GLN 7 113.297 10.150 7.069 62 HA GLN 7 HA GLN 7 111.087 9.944 8.769 63 HB2 GLN 7 HB2 GLN 7 111.306 9.642 5.773 64 HB3 GLN 7 HB1 GLN 7 109.765 9.648 6.632 65 HG2 GLN 7 HG2 GLN 7 110.306 11.859 7.587 66 HG3 GLN 7 HG1 GLN 7 111.837 11.860 6.713 67 HE21 GLN 7 HE21 GLN 7 110.596 13.960 5.862 68 HE22 GLN 7 HE22 GLN 7 109.689 13.727 4.451 69 H HIS 8 HN HIS 8 112.663 7.487 6.729 70 HA HIS 8 HA HIS 8 110.768 5.448 7.007 71 HB2 HIS 8 HB2 HIS 8 112.775 5.429 5.493 72 HB3 HIS 8 HB1 HIS 8 113.776 5.112 6.910 73 HD1 HIS 8 HD1 HIS 8 113.380 2.806 8.153 74 HD2 HIS 8 HD2 HIS 8 111.336 3.213 4.544 75 HE1 HIS 8 HE1 HIS 8 112.590 0.486 7.510 76 HE2 HIS 8 HE2 HIS 8 111.337 0.719 5.316 77 H GLU 9 HN GLU 9 113.646 6.196 8.982 78 HA GLU 9 HA GLU 9 113.451 4.167 10.861 79 HB2 GLU 9 HB2 GLU 9 114.222 7.063 11.292 80 HB3 GLU 9 HB1 GLU 9 114.476 5.786 12.479 81 HG2 GLU 9 HG2 GLU 9 115.871 4.548 10.889 82 HG3 GLU 9 HG1 GLU 9 115.588 5.778 9.660 83 H ARG 10 HN ARG 10 111.528 7.052 10.529 84 HA ARG 10 HA ARG 10 110.157 6.734 13.074 85 HB2 ARG 10 HB2 ARG 10 109.212 8.375 10.723 86 HB3 ARG 10 HB1 ARG 10 108.774 8.561 12.419 87 HG2 ARG 10 HG2 ARG 10 111.107 9.098 12.991 88 HG3 ARG 10 HG1 ARG 10 111.564 8.919 11.299 89 HD2 ARG 10 HD2 ARG 10 110.004 10.743 10.697 90 HD3 ARG 10 HD1 ARG 10 109.598 10.940 12.401 91 HE ARG 10 HE ARG 10 112.376 11.148 12.200 92 HH11 ARG 10 HH11 ARG 10 113.353 13.198 12.088 93 HH12 ARG 10 HH12 ARG 10 112.430 14.563 11.553 94 HH21 ARG 10 HH21 ARG 10 109.524 12.738 11.055 95 HH22 ARG 10 HH22 ARG 10 110.262 14.303 10.968 96 H TYR 11 HN TYR 11 109.285 6.235 9.661 97 HA TYR 11 HA TYR 11 106.704 5.292 9.991 98 HB2 TYR 11 HB2 TYR 11 107.712 5.691 7.786 99 HB3 TYR 11 HB1 TYR 11 108.761 4.291 8.009 100 HD1 TYR 11 HD1 TYR 11 105.202 5.356 7.741 101 HD2 TYR 11 HD2 TYR 11 107.976 2.080 7.589 102 HE1 TYR 11 HE1 TYR 11 103.411 3.880 6.873 103 HE2 TYR 11 HE2 TYR 11 106.186 0.604 6.720 104 HH TYR 11 HH TYR 11 103.931 0.417 6.441 105 H VAL 12 HN VAL 12 109.758 3.517 10.306 106 HA VAL 12 HA VAL 12 108.637 0.932 10.628 107 HB VAL 12 HB VAL 12 111.220 2.202 11.523 108 HG11 VAL 12 HG11 VAL 12 111.771 -0.358 11.929 109 HG12 VAL 12 HG12 VAL 12 110.043 -0.454 12.254 110 HG13 VAL 12 HG13 VAL 12 111.062 0.618 13.215 111 HG21 VAL 12 HG21 VAL 12 110.508 1.392 9.096 112 HG22 VAL 12 HG22 VAL 12 110.913 -0.195 9.754 113 HG23 VAL 12 HG23 VAL 12 112.131 1.080 9.710 114 H GLU 13 HN GLU 13 109.668 3.304 13.081 115 HA GLU 13 HA GLU 13 108.730 1.768 15.286 116 HB2 GLU 13 HB2 GLU 13 109.329 4.720 15.029 117 HB3 GLU 13 HB1 GLU 13 108.942 3.921 16.553 118 HG2 GLU 13 HG2 GLU 13 110.857 2.432 16.310 119 HG3 GLU 13 HG1 GLU 13 111.218 3.112 14.724 120 H GLN 14 HN GLN 14 107.272 4.349 13.378 121 HA GLN 14 HA GLN 14 104.933 4.654 14.963 122 HB2 GLN 14 HB2 GLN 14 105.857 6.324 13.315 123 HB3 GLN 14 HB1 GLN 14 105.294 5.264 12.020 124 HG2 GLN 14 HG2 GLN 14 103.626 7.007 12.430 125 HG3 GLN 14 HG1 GLN 14 102.973 5.444 12.950 126 HE21 GLN 14 HE21 GLN 14 101.621 6.169 14.688 127 HE22 GLN 14 HE22 GLN 14 102.225 6.984 16.050 128 H LEU 15 HN LEU 15 105.071 3.497 11.627 129 HA LEU 15 HA LEU 15 102.678 2.281 11.357 130 HB2 LEU 15 HB2 LEU 15 104.795 2.255 9.771 131 HB3 LEU 15 HB1 LEU 15 105.057 0.667 10.486 132 HG LEU 15 HG LEU 15 103.758 0.433 8.422 133 HD11 LEU 15 HD11 LEU 15 103.208 -0.908 10.566 134 HD12 LEU 15 HD12 LEU 15 102.050 -0.937 9.237 135 HD13 LEU 15 HD13 LEU 15 101.760 0.094 10.631 136 HD21 LEU 15 HD21 LEU 15 101.356 1.808 9.448 137 HD22 LEU 15 HD22 LEU 15 102.037 1.805 7.827 138 HD23 LEU 15 HD23 LEU 15 102.689 2.889 9.053 139 H LYS 16 HN LYS 16 105.514 0.743 12.886 140 HA LYS 16 HA LYS 16 104.214 -1.659 13.589 141 HB2 LYS 16 HB2 LYS 16 106.614 -0.234 14.724 142 HB3 LYS 16 HB1 LYS 16 106.031 -1.751 15.398 143 HG2 LYS 16 HG2 LYS 16 106.198 -2.795 13.155 144 HG3 LYS 16 HG1 LYS 16 106.845 -1.282 12.527 145 HD2 LYS 16 HD2 LYS 16 108.769 -1.420 13.953 146 HD3 LYS 16 HD1 LYS 16 108.115 -2.822 14.798 147 HE2 LYS 16 HE2 LYS 16 108.074 -3.894 12.397 148 HE3 LYS 16 HE1 LYS 16 109.257 -2.640 12.027 149 HZ1 LYS 16 HZ1 LYS 16 109.485 -4.955 13.764 150 HZ2 LYS 16 HZ2 LYS 16 110.217 -3.531 14.325 151 HZ3 LYS 16 HZ3 LYS 16 110.668 -4.187 12.824 152 H GLN 17 HN GLN 17 104.531 1.420 15.307 153 HA GLN 17 HA GLN 17 103.281 0.585 17.719 154 HB2 GLN 17 HB2 GLN 17 103.742 3.249 16.425 155 HB3 GLN 17 HB1 GLN 17 102.674 3.139 17.819 156 HG2 GLN 17 HG2 GLN 17 104.416 2.192 19.176 157 HG3 GLN 17 HG1 GLN 17 105.476 1.994 17.785 158 HE21 GLN 17 HE21 GLN 17 106.761 3.407 19.602 159 HE22 GLN 17 HE22 GLN 17 106.685 5.082 19.339 160 H ALA 18 HN ALA 18 101.903 2.452 14.992 161 HA ALA 18 HA ALA 18 99.236 2.413 15.768 162 HB1 ALA 18 HB1 ALA 18 99.436 3.744 13.932 163 HB2 ALA 18 HB2 ALA 18 98.996 2.267 13.074 164 HB3 ALA 18 HB3 ALA 18 100.691 2.737 13.211 165 H LEU 19 HN LEU 19 101.229 -0.127 14.831 166 HA LEU 19 HA LEU 19 99.031 -1.881 14.007 167 HB2 LEU 19 HB2 LEU 19 101.917 -1.941 13.714 168 HB3 LEU 19 HB1 LEU 19 101.286 -3.491 14.273 169 HG LEU 19 HG LEU 19 100.151 -1.955 11.921 170 HD11 LEU 19 HD11 LEU 19 101.806 -2.783 10.666 171 HD12 LEU 19 HD12 LEU 19 101.377 -4.417 11.169 172 HD13 LEU 19 HD13 LEU 19 102.556 -3.489 12.097 173 HD21 LEU 19 HD21 LEU 19 98.491 -3.475 12.015 174 HD22 LEU 19 HD22 LEU 19 99.201 -4.153 13.478 175 HD23 LEU 19 HD23 LEU 19 99.669 -4.782 11.897 176 H LYS 20 HN LYS 20 101.500 -1.785 16.576 177 HA LYS 20 HA LYS 20 100.907 -3.955 18.061 178 HB2 LYS 20 HB2 LYS 20 102.599 -2.256 18.682 179 HB3 LYS 20 HB1 LYS 20 101.302 -1.192 19.225 180 HG2 LYS 20 HG2 LYS 20 100.603 -2.857 20.890 181 HG3 LYS 20 HG1 LYS 20 101.854 -3.965 20.323 182 HD2 LYS 20 HD2 LYS 20 103.587 -2.307 20.935 183 HD3 LYS 20 HD1 LYS 20 102.328 -1.225 21.531 184 HE2 LYS 20 HE2 LYS 20 102.770 -4.035 22.572 185 HE3 LYS 20 HE1 LYS 20 103.423 -2.587 23.338 186 HZ1 LYS 20 HZ1 LYS 20 100.572 -3.292 22.938 187 HZ2 LYS 20 HZ2 LYS 20 101.087 -1.746 23.418 188 HZ3 LYS 20 HZ3 LYS 20 101.393 -3.091 24.409 189 H THR 21 HN THR 21 99.053 -0.956 18.012 190 HA THR 21 HA THR 21 97.204 -1.607 20.042 191 HB THR 21 HB THR 21 96.984 0.605 19.492 192 HG1 THR 21 HG1 THR 21 94.963 -0.686 18.973 193 HG21 THR 21 HG21 THR 21 98.425 0.962 17.724 194 HG22 THR 21 HG22 THR 21 96.885 1.176 16.889 195 HG23 THR 21 HG23 THR 21 97.739 -0.357 16.780 196 H ARG 22 HN ARG 22 97.342 -2.463 16.631 197 HA ARG 22 HA ARG 22 94.684 -3.458 16.416 198 HB2 ARG 22 HB2 ARG 22 97.136 -4.242 14.818 199 HB3 ARG 22 HB1 ARG 22 95.465 -4.561 14.368 200 HG2 ARG 22 HG2 ARG 22 96.633 -1.790 14.771 201 HG3 ARG 22 HG1 ARG 22 96.417 -2.555 13.194 202 HD2 ARG 22 HD2 ARG 22 93.940 -2.842 13.926 203 HD3 ARG 22 HD1 ARG 22 94.309 -1.621 15.140 204 HE ARG 22 HE ARG 22 94.230 -1.226 12.246 205 HH11 ARG 22 HH11 ARG 22 94.200 0.945 11.602 206 HH12 ARG 22 HH12 ARG 22 94.517 2.192 12.762 207 HH21 ARG 22 HH21 ARG 22 94.970 -0.010 15.402 208 HH22 ARG 22 HH22 ARG 22 94.952 1.650 14.912 209 H GLY 23 HN GLY 23 97.260 -4.546 18.223 210 HA2 GLY 23 HA2 GLY 23 96.930 -6.428 19.730 211 HA3 GLY 23 HA1 GLY 23 96.024 -7.227 18.450 212 H VAL 24 HN VAL 24 98.934 -5.575 17.592 213 HA VAL 24 HA VAL 24 100.236 -8.170 17.100 214 HB VAL 24 HB VAL 24 100.950 -5.487 15.917 215 HG11 VAL 24 HG11 VAL 24 102.785 -6.884 15.570 216 HG12 VAL 24 HG12 VAL 24 101.836 -7.172 14.113 217 HG13 VAL 24 HG13 VAL 24 101.793 -8.334 15.435 218 HG21 VAL 24 HG21 VAL 24 99.092 -7.665 14.918 219 HG22 VAL 24 HG22 VAL 24 99.738 -6.397 13.879 220 HG23 VAL 24 HG23 VAL 24 98.684 -5.979 15.230 221 H LYS 25 HN LYS 25 102.713 -8.027 17.163 222 HA LYS 25 HA LYS 25 103.502 -6.537 19.581 223 HB2 LYS 25 HB2 LYS 25 104.483 -9.178 18.493 224 HB3 LYS 25 HB1 LYS 25 105.281 -8.310 19.805 225 HG2 LYS 25 HG2 LYS 25 103.182 -8.370 21.113 226 HG3 LYS 25 HG1 LYS 25 102.401 -9.264 19.808 227 HD2 LYS 25 HD2 LYS 25 104.039 -11.087 20.062 228 HD3 LYS 25 HD1 LYS 25 104.837 -10.193 21.358 229 HE2 LYS 25 HE2 LYS 25 102.747 -10.252 22.679 230 HE3 LYS 25 HE1 LYS 25 101.966 -11.169 21.392 231 HZ1 LYS 25 HZ1 LYS 25 103.421 -12.190 23.484 232 HZ2 LYS 25 HZ2 LYS 25 104.445 -12.341 22.137 233 HZ3 LYS 25 HZ3 LYS 25 102.894 -13.033 22.111 234 H VAL 26 HN VAL 26 105.571 -5.572 19.648 235 HA VAL 26 HA VAL 26 106.891 -5.238 17.020 236 HB VAL 26 HB VAL 26 107.219 -2.872 17.501 237 HG11 VAL 26 HG11 VAL 26 104.343 -3.690 18.014 238 HG12 VAL 26 HG12 VAL 26 105.096 -3.603 16.424 239 HG13 VAL 26 HG13 VAL 26 104.887 -2.136 17.386 240 HG21 VAL 26 HG21 VAL 26 105.595 -2.241 19.634 241 HG22 VAL 26 HG22 VAL 26 107.348 -2.397 19.739 242 HG23 VAL 26 HG23 VAL 26 106.314 -3.755 20.180 243 H LYS 27 HN LYS 27 108.463 -6.767 17.604 244 HA LYS 27 HA LYS 27 110.249 -5.995 19.841 245 HB2 LYS 27 HB2 LYS 27 109.120 -8.372 19.656 246 HB3 LYS 27 HB1 LYS 27 110.420 -8.665 18.499 247 HG2 LYS 27 HG2 LYS 27 111.892 -7.580 20.439 248 HG3 LYS 27 HG1 LYS 27 110.564 -8.154 21.440 249 HD2 LYS 27 HD2 LYS 27 112.172 -9.846 19.502 250 HD3 LYS 27 HD1 LYS 27 112.324 -9.864 21.262 251 HE2 LYS 27 HE2 LYS 27 109.874 -10.463 21.383 252 HE3 LYS 27 HE1 LYS 27 109.904 -10.664 19.630 253 HZ1 LYS 27 HZ1 LYS 27 111.649 -12.313 19.885 254 HZ2 LYS 27 HZ2 LYS 27 110.264 -12.763 20.761 255 HZ3 LYS 27 HZ3 LYS 27 111.614 -12.122 21.571 256 H TYR 28 HN TYR 28 112.600 -6.412 19.449 257 HA TYR 28 HA TYR 28 113.534 -5.048 17.197 258 HB2 TYR 28 HB2 TYR 28 114.971 -7.011 18.995 259 HB3 TYR 28 HB1 TYR 28 115.760 -5.917 17.857 260 HD1 TYR 28 HD1 TYR 28 115.863 -3.525 18.266 261 HD2 TYR 28 HD2 TYR 28 113.808 -6.141 20.984 262 HE1 TYR 28 HE1 TYR 28 115.769 -1.704 19.947 263 HE2 TYR 28 HE2 TYR 28 113.714 -4.320 22.665 264 HH TYR 28 HH TYR 28 115.411 -1.282 22.181 265 H ALA 29 HN ALA 29 113.028 -8.477 17.793 266 HA ALA 29 HA ALA 29 114.360 -9.539 15.567 267 HB1 ALA 29 HB1 ALA 29 113.618 -11.015 17.313 268 HB2 ALA 29 HB2 ALA 29 112.779 -11.474 15.831 269 HB3 ALA 29 HB3 ALA 29 111.937 -10.545 17.071 270 H ASP 30 HN ASP 30 111.408 -7.774 15.808 271 HA ASP 30 HA ASP 30 110.192 -8.719 13.380 272 HB2 ASP 30 HB2 ASP 30 109.720 -6.211 14.995 273 HB3 ASP 30 HB1 ASP 30 108.767 -6.668 13.596 274 H LEU 31 HN LEU 31 112.177 -5.907 14.231 275 HA LEU 31 HA LEU 31 112.069 -4.641 11.695 276 HB2 LEU 31 HB2 LEU 31 114.085 -4.609 13.951 277 HB3 LEU 31 HB1 LEU 31 114.367 -3.709 12.463 278 HG LEU 31 HG LEU 31 111.875 -2.851 12.962 279 HD11 LEU 31 HD11 LEU 31 113.042 -3.353 15.712 280 HD12 LEU 31 HD12 LEU 31 111.760 -4.335 15.005 281 HD13 LEU 31 HD13 LEU 31 111.482 -2.629 15.347 282 HD21 LEU 31 HD21 LEU 31 112.900 -0.910 14.108 283 HD22 LEU 31 HD22 LEU 31 113.861 -1.423 12.721 284 HD23 LEU 31 HD23 LEU 31 114.375 -1.846 14.354 285 H LEU 32 HN LEU 32 114.271 -7.116 12.987 286 HA LEU 32 HA LEU 32 116.140 -7.135 10.932 287 HB2 LEU 32 HB2 LEU 32 115.007 -9.583 12.288 288 HB3 LEU 32 HB1 LEU 32 116.608 -9.420 11.559 289 HG LEU 32 HG LEU 32 115.593 -7.817 13.941 290 HD11 LEU 32 HD11 LEU 32 116.676 -9.300 15.305 291 HD12 LEU 32 HD12 LEU 32 117.947 -9.620 14.126 292 HD13 LEU 32 HD13 LEU 32 116.383 -10.418 13.974 293 HD21 LEU 32 HD21 LEU 32 118.091 -7.747 12.254 294 HD22 LEU 32 HD22 LEU 32 118.199 -7.351 13.969 295 HD23 LEU 32 HD23 LEU 32 117.153 -6.404 12.910 296 H LYS 33 HN LYS 33 113.181 -9.112 11.117 297 HA LYS 33 HA LYS 33 113.480 -10.145 8.482 298 HB2 LYS 33 HB2 LYS 33 112.230 -11.326 10.263 299 HB3 LYS 33 HB1 LYS 33 110.996 -10.068 10.206 300 HG2 LYS 33 HG2 LYS 33 110.514 -10.598 7.866 301 HG3 LYS 33 HG1 LYS 33 111.807 -11.797 7.850 302 HD2 LYS 33 HD2 LYS 33 110.632 -13.078 9.606 303 HD3 LYS 33 HD1 LYS 33 109.333 -11.885 9.600 304 HE2 LYS 33 HE2 LYS 33 108.848 -12.388 7.251 305 HE3 LYS 33 HE1 LYS 33 110.182 -13.542 7.206 306 HZ1 LYS 33 HZ1 LYS 33 108.679 -15.038 7.833 307 HZ2 LYS 33 HZ2 LYS 33 107.532 -13.856 8.250 308 HZ3 LYS 33 HZ3 LYS 33 108.728 -14.315 9.366 309 H PHE 34 HN PHE 34 111.194 -7.760 9.833 310 HA PHE 34 HA PHE 34 109.900 -7.198 7.398 311 HB2 PHE 34 HB2 PHE 34 109.857 -6.164 10.070 312 HB3 PHE 34 HB1 PHE 34 109.874 -4.827 8.934 313 HD1 PHE 34 HD1 PHE 34 108.330 -5.275 6.774 314 HD2 PHE 34 HD2 PHE 34 107.761 -7.020 10.658 315 HE1 PHE 34 HE1 PHE 34 105.930 -5.635 6.261 316 HE2 PHE 34 HE2 PHE 34 105.362 -7.380 10.145 317 HZ PHE 34 HZ PHE 34 104.448 -6.688 7.946 318 H PHE 35 HN PHE 35 112.773 -5.788 8.837 319 HA PHE 35 HA PHE 35 112.987 -3.626 6.959 320 HB2 PHE 35 HB2 PHE 35 113.995 -3.779 9.302 321 HB3 PHE 35 HB1 PHE 35 115.260 -4.779 8.583 322 HD1 PHE 35 HD1 PHE 35 116.435 -3.762 6.460 323 HD2 PHE 35 HD2 PHE 35 114.107 -1.477 9.263 324 HE1 PHE 35 HE1 PHE 35 117.518 -1.682 5.657 325 HE2 PHE 35 HE2 PHE 35 115.194 0.606 8.452 326 HZ PHE 35 HZ PHE 35 116.897 0.503 6.653 327 H ASP 36 HN ASP 36 114.638 -6.775 7.341 328 HA ASP 36 HA ASP 36 116.154 -6.464 4.901 329 HB2 ASP 36 HB2 ASP 36 115.704 -8.840 6.716 330 HB3 ASP 36 HB1 ASP 36 116.763 -8.867 5.308 331 H PHE 37 HN PHE 37 113.043 -7.712 5.738 332 HA PHE 37 HA PHE 37 112.634 -9.523 3.619 333 HB2 PHE 37 HB2 PHE 37 111.061 -9.621 5.366 334 HB3 PHE 37 HB1 PHE 37 110.767 -7.880 5.318 335 HD1 PHE 37 HD1 PHE 37 110.766 -10.718 2.862 336 HD2 PHE 37 HD2 PHE 37 108.689 -7.299 4.428 337 HE1 PHE 37 HE1 PHE 37 108.918 -11.101 1.257 338 HE2 PHE 37 HE2 PHE 37 106.842 -7.688 2.823 339 HZ PHE 37 HZ PHE 37 106.953 -9.591 1.240 340 H VAL 38 HN VAL 38 111.726 -6.086 3.931 341 HA VAL 38 HA VAL 38 110.843 -5.947 1.186 342 HB VAL 38 HB VAL 38 110.872 -3.436 1.647 343 HG11 VAL 38 HG11 VAL 38 109.315 -5.106 3.641 344 HG12 VAL 38 HG12 VAL 38 108.883 -4.981 1.934 345 HG13 VAL 38 HG13 VAL 38 108.856 -3.547 2.959 346 HG21 VAL 38 HG21 VAL 38 111.854 -2.668 3.521 347 HG22 VAL 38 HG22 VAL 38 112.441 -4.300 3.829 348 HG23 VAL 38 HG23 VAL 38 110.907 -3.771 4.516 349 H LYS 39 HN LYS 39 113.818 -5.269 2.913 350 HA LYS 39 HA LYS 39 115.156 -3.736 0.968 351 HB2 LYS 39 HB2 LYS 39 115.900 -4.309 3.357 352 HB3 LYS 39 HB1 LYS 39 116.520 -5.814 2.679 353 HG2 LYS 39 HG2 LYS 39 117.940 -4.571 1.130 354 HG3 LYS 39 HG1 LYS 39 117.265 -3.043 1.699 355 HD2 LYS 39 HD2 LYS 39 118.139 -3.483 3.956 356 HD3 LYS 39 HD1 LYS 39 118.802 -5.022 3.406 357 HE2 LYS 39 HE2 LYS 39 120.212 -3.813 1.766 358 HE3 LYS 39 HE1 LYS 39 119.573 -2.281 2.361 359 HZ1 LYS 39 HZ1 LYS 39 120.525 -3.936 4.480 360 HZ2 LYS 39 HZ2 LYS 39 120.937 -2.333 4.094 361 HZ3 LYS 39 HZ3 LYS 39 121.744 -3.626 3.342 362 H ASP 40 HN ASP 40 114.514 -7.177 1.134 363 HA ASP 40 HA ASP 40 116.389 -8.265 -0.542 364 HB2 ASP 40 HB2 ASP 40 114.576 -9.556 0.523 365 HB3 ASP 40 HB1 ASP 40 113.416 -8.838 -0.592 366 H THR 41 HN THR 41 113.262 -6.922 -1.664 367 HA THR 41 HA THR 41 114.526 -6.427 -4.296 368 HB THR 41 HB THR 41 112.267 -6.606 -5.250 369 HG1 THR 41 HG1 THR 41 110.865 -6.110 -3.716 370 HG21 THR 41 HG21 THR 41 111.968 -9.114 -4.159 371 HG22 THR 41 HG22 THR 41 113.664 -8.764 -3.827 372 HG23 THR 41 HG23 THR 41 113.062 -8.714 -5.483 373 H CYS 42 HN CYS 42 113.470 -4.926 -1.541 374 HA CYS 42 HA CYS 42 112.686 -2.812 -1.018 375 HB2 CYS 42 HB2 CYS 42 114.310 -1.845 -3.349 376 HB3 CYS 42 HB1 CYS 42 114.128 -1.137 -1.742 377 HG CYS 42 HG CYS 42 115.718 -2.901 -0.772 378 HA PRO 43 HA PRO 43 109.625 -2.838 -4.590 379 HB2 PRO 43 HB2 PRO 43 107.706 -3.040 -2.338 380 HB3 PRO 43 HB1 PRO 43 107.777 -3.970 -3.847 381 HG2 PRO 43 HG2 PRO 43 108.451 -5.064 -1.533 382 HG3 PRO 43 HG1 PRO 43 109.336 -5.444 -3.018 383 HD2 PRO 43 HD2 PRO 43 110.128 -3.585 -0.782 384 HD3 PRO 43 HD1 PRO 43 111.118 -4.759 -1.675 385 H TRP 44 HN TRP 44 109.807 -1.186 -1.501 386 HA TRP 44 HA TRP 44 107.967 0.900 -2.060 387 HB2 TRP 44 HB2 TRP 44 110.024 0.319 -0.017 388 HB3 TRP 44 HB1 TRP 44 109.644 2.023 -0.249 389 HD1 TRP 44 HD1 TRP 44 107.438 2.899 0.731 390 HE1 TRP 44 HE1 TRP 44 105.437 1.816 1.942 391 HE3 TRP 44 HE3 TRP 44 108.568 -2.036 0.064 392 HZ2 TRP 44 HZ2 TRP 44 104.446 -0.799 2.549 393 HZ3 TRP 44 HZ3 TRP 44 107.081 -3.799 0.967 394 HH2 TRP 44 HH2 TRP 44 105.022 -3.187 2.209 395 H PHE 45 HN PHE 45 110.071 0.328 -4.151 396 HA PHE 45 HA PHE 45 111.552 1.456 -5.502 397 HB2 PHE 45 HB2 PHE 45 109.400 3.459 -4.912 398 HB3 PHE 45 HB1 PHE 45 110.694 3.774 -6.071 399 HD1 PHE 45 HD1 PHE 45 111.140 1.865 -7.833 400 HD2 PHE 45 HD2 PHE 45 107.475 2.341 -5.643 401 HE1 PHE 45 HE1 PHE 45 109.947 0.514 -9.536 402 HE2 PHE 45 HE2 PHE 45 106.282 0.990 -7.346 403 HZ PHE 45 HZ PHE 45 107.518 0.077 -9.293 404 HA PRO 46 HA PRO 46 113.861 3.240 -1.870 405 HB2 PRO 46 HB2 PRO 46 116.329 2.643 -3.036 406 HB3 PRO 46 HB1 PRO 46 115.473 1.647 -1.846 407 HG2 PRO 46 HG2 PRO 46 115.591 1.388 -4.798 408 HG3 PRO 46 HG1 PRO 46 115.549 0.134 -3.549 409 HD2 PRO 46 HD2 PRO 46 113.385 0.711 -5.009 410 HD3 PRO 46 HD1 PRO 46 113.230 0.286 -3.296 411 H GLN 47 HN GLN 47 113.498 4.020 -5.119 412 HA GLN 47 HA GLN 47 115.479 6.151 -5.183 413 HB2 GLN 47 HB2 GLN 47 113.200 5.548 -7.084 414 HB3 GLN 47 HB1 GLN 47 114.561 6.628 -7.391 415 HG2 GLN 47 HG2 GLN 47 114.815 3.663 -6.811 416 HG3 GLN 47 HG1 GLN 47 114.892 4.381 -8.418 417 HE21 GLN 47 HE21 GLN 47 116.984 3.028 -6.469 418 HE22 GLN 47 HE22 GLN 47 118.305 4.090 -6.566 419 H GLU 48 HN GLU 48 111.923 6.006 -5.383 420 HA GLU 48 HA GLU 48 111.747 8.833 -4.573 421 HB2 GLU 48 HB2 GLU 48 109.185 8.126 -4.854 422 HB3 GLU 48 HB1 GLU 48 110.185 8.572 -6.226 423 HG2 GLU 48 HG2 GLU 48 110.688 6.209 -6.663 424 HG3 GLU 48 HG1 GLU 48 109.757 5.741 -5.238 425 H GLY 49 HN GLY 49 111.366 5.642 -3.289 426 HA2 GLY 49 HA2 GLY 49 110.861 4.871 -1.179 427 HA3 GLY 49 HA1 GLY 49 111.207 6.498 -0.608 428 H THR 50 HN THR 50 108.697 4.508 -2.122 429 HA THR 50 HA THR 50 106.667 5.942 -0.581 430 HB THR 50 HB THR 50 106.771 7.086 -2.768 431 HG1 THR 50 HG1 THR 50 104.496 5.443 -2.392 432 HG21 THR 50 HG21 THR 50 106.148 5.843 -4.796 433 HG22 THR 50 HG22 THR 50 106.050 4.346 -3.872 434 HG23 THR 50 HG23 THR 50 107.611 5.157 -4.083 435 H ILE 51 HN ILE 51 104.474 4.863 -0.901 436 HA ILE 51 HA ILE 51 104.898 1.960 -0.768 437 HB ILE 51 HB ILE 51 102.299 3.273 -0.089 438 HG12 ILE 51 HG12 ILE 51 104.890 3.519 1.412 439 HG13 ILE 51 HG11 ILE 51 103.642 4.736 1.133 440 HG21 ILE 51 HG21 ILE 51 102.931 0.731 -0.055 441 HG22 ILE 51 HG22 ILE 51 102.035 1.407 1.303 442 HG23 ILE 51 HG23 ILE 51 103.767 1.141 1.440 443 HD11 ILE 51 HD11 ILE 51 102.125 3.213 2.550 444 HD12 ILE 51 HD12 ILE 51 103.352 4.158 3.386 445 HD13 ILE 51 HD13 ILE 51 103.621 2.443 3.077 446 H ASP 52 HN ASP 52 103.823 0.539 -2.117 447 HA ASP 52 HA ASP 52 102.008 1.686 -4.144 448 HB2 ASP 52 HB2 ASP 52 104.274 1.434 -5.128 449 HB3 ASP 52 HB1 ASP 52 104.242 -0.273 -4.695 450 H ILE 53 HN ILE 53 100.160 0.624 -4.145 451 HA ILE 53 HA ILE 53 99.754 -1.784 -2.662 452 HB ILE 53 HB ILE 53 97.907 -0.537 -4.708 453 HG12 ILE 53 HG12 ILE 53 98.574 1.167 -3.094 454 HG13 ILE 53 HG11 ILE 53 96.933 0.653 -2.709 455 HG21 ILE 53 HG21 ILE 53 97.384 -2.267 -2.263 456 HG22 ILE 53 HG22 ILE 53 97.331 -2.831 -3.934 457 HG23 ILE 53 HG23 ILE 53 96.158 -1.643 -3.370 458 HD11 ILE 53 HD11 ILE 53 98.154 -1.064 -1.110 459 HD12 ILE 53 HD12 ILE 53 97.974 0.610 -0.601 460 HD13 ILE 53 HD13 ILE 53 99.509 0.052 -1.264 461 H LYS 54 HN LYS 54 100.052 -1.064 -6.104 462 HA LYS 54 HA LYS 54 99.383 -3.655 -7.054 463 HB2 LYS 54 HB2 LYS 54 101.235 -1.637 -8.341 464 HB3 LYS 54 HB1 LYS 54 100.342 -2.923 -9.150 465 HG2 LYS 54 HG2 LYS 54 99.066 -0.619 -7.646 466 HG3 LYS 54 HG1 LYS 54 99.244 -0.698 -9.398 467 HD2 LYS 54 HD2 LYS 54 97.984 -2.954 -9.226 468 HD3 LYS 54 HD1 LYS 54 97.535 -2.423 -7.605 469 HE2 LYS 54 HE2 LYS 54 96.497 -0.411 -8.494 470 HE3 LYS 54 HE1 LYS 54 97.029 -0.821 -10.126 471 HZ1 LYS 54 HZ1 LYS 54 94.943 -2.073 -8.484 472 HZ2 LYS 54 HZ2 LYS 54 95.765 -3.017 -9.633 473 HZ3 LYS 54 HZ3 LYS 54 94.906 -1.635 -10.122 474 H ARG 55 HN ARG 55 102.557 -2.106 -6.532 475 HA ARG 55 HA ARG 55 104.054 -4.446 -7.139 476 HB2 ARG 55 HB2 ARG 55 104.772 -1.898 -6.966 477 HB3 ARG 55 HB1 ARG 55 105.155 -2.364 -5.307 478 HG2 ARG 55 HG2 ARG 55 106.564 -4.205 -6.130 479 HG3 ARG 55 HG1 ARG 55 106.177 -3.766 -7.796 480 HD2 ARG 55 HD2 ARG 55 107.147 -1.500 -7.370 481 HD3 ARG 55 HD1 ARG 55 107.633 -2.054 -5.775 482 HE ARG 55 HE ARG 55 109.307 -3.363 -6.765 483 HH11 ARG 55 HH11 ARG 55 110.643 -3.855 -8.532 484 HH12 ARG 55 HH12 ARG 55 110.161 -3.393 -10.131 485 HH21 ARG 55 HH21 ARG 55 107.190 -1.933 -9.101 486 HH22 ARG 55 HH22 ARG 55 108.207 -2.305 -10.451 487 H TRP 56 HN TRP 56 102.824 -3.040 -4.139 488 HA TRP 56 HA TRP 56 104.161 -4.654 -2.314 489 HB2 TRP 56 HB2 TRP 56 102.952 -2.805 -1.467 490 HB3 TRP 56 HB1 TRP 56 101.445 -3.363 -2.197 491 HD1 TRP 56 HD1 TRP 56 99.896 -4.435 -0.522 492 HE1 TRP 56 HE1 TRP 56 100.159 -5.788 1.651 493 HE3 TRP 56 HE3 TRP 56 104.992 -4.620 -0.199 494 HZ2 TRP 56 HZ2 TRP 56 102.253 -6.819 3.312 495 HZ3 TRP 56 HZ3 TRP 56 106.090 -5.794 1.679 496 HH2 TRP 56 HH2 TRP 56 104.731 -6.896 3.430 497 H ARG 57 HN ARG 57 101.301 -5.260 -4.253 498 HA ARG 57 HA ARG 57 100.536 -7.689 -2.970 499 HB2 ARG 57 HB2 ARG 57 98.989 -6.394 -4.403 500 HB3 ARG 57 HB1 ARG 57 99.984 -6.786 -5.807 501 HG2 ARG 57 HG2 ARG 57 99.563 -9.179 -5.463 502 HG3 ARG 57 HG1 ARG 57 98.623 -8.818 -4.015 503 HD2 ARG 57 HD2 ARG 57 97.952 -7.789 -6.783 504 HD3 ARG 57 HD1 ARG 57 97.202 -9.199 -6.040 505 HE ARG 57 HE ARG 57 96.714 -6.416 -5.359 506 HH11 ARG 57 HH11 ARG 57 95.042 -6.084 -3.857 507 HH12 ARG 57 HH12 ARG 57 94.416 -7.424 -2.957 508 HH21 ARG 57 HH21 ARG 57 96.534 -9.742 -4.428 509 HH22 ARG 57 HH22 ARG 57 95.261 -9.496 -3.280 510 H ARG 58 HN ARG 58 102.593 -6.934 -5.774 511 HA ARG 58 HA ARG 58 103.054 -9.576 -6.630 512 HB2 ARG 58 HB2 ARG 58 104.701 -7.062 -6.826 513 HB3 ARG 58 HB1 ARG 58 105.234 -8.587 -7.531 514 HG2 ARG 58 HG2 ARG 58 103.197 -8.708 -8.882 515 HG3 ARG 58 HG1 ARG 58 102.581 -7.239 -8.124 516 HD2 ARG 58 HD2 ARG 58 103.569 -6.706 -10.303 517 HD3 ARG 58 HD1 ARG 58 104.522 -5.983 -9.012 518 HE ARG 58 HE ARG 58 106.268 -7.458 -9.520 519 HH11 ARG 58 HH11 ARG 58 107.275 -8.941 -10.913 520 HH12 ARG 58 HH12 ARG 58 106.336 -9.777 -12.105 521 HH21 ARG 58 HH21 ARG 58 103.353 -8.257 -11.205 522 HH22 ARG 58 HH22 ARG 58 104.116 -9.389 -12.271 523 H VAL 59 HN VAL 59 104.986 -7.550 -4.421 524 HA VAL 59 HA VAL 59 106.931 -9.545 -3.832 525 HB VAL 59 HB VAL 59 107.420 -7.222 -3.351 526 HG11 VAL 59 HG11 VAL 59 105.025 -6.623 -2.913 527 HG12 VAL 59 HG12 VAL 59 106.161 -5.911 -1.776 528 HG13 VAL 59 HG13 VAL 59 105.194 -7.310 -1.303 529 HG21 VAL 59 HG21 VAL 59 107.925 -9.261 -1.611 530 HG22 VAL 59 HG22 VAL 59 107.097 -8.112 -0.554 531 HG23 VAL 59 HG23 VAL 59 108.555 -7.623 -1.424 532 H GLY 60 HN GLY 60 103.867 -8.646 -2.295 533 HA2 GLY 60 HA2 GLY 60 104.088 -10.327 -0.034 534 HA3 GLY 60 HA1 GLY 60 102.589 -9.691 -0.698 535 H ASP 61 HN ASP 61 102.299 -10.841 -3.095 536 HA ASP 61 HA ASP 61 101.545 -13.503 -2.455 537 HB2 ASP 61 HB2 ASP 61 100.889 -13.666 -4.827 538 HB3 ASP 61 HB1 ASP 61 100.296 -12.181 -4.087 539 H CYS 62 HN CYS 62 104.391 -12.097 -3.852 540 HA CYS 62 HA CYS 62 105.421 -14.371 -5.183 541 HB2 CYS 62 HB2 CYS 62 106.590 -11.831 -4.119 542 HB3 CYS 62 HB1 CYS 62 107.671 -13.120 -4.645 543 HG CYS 62 HG CYS 62 107.187 -12.469 -6.978 544 H PHE 63 HN PHE 63 105.757 -13.200 -1.848 545 HA PHE 63 HA PHE 63 107.560 -15.353 -1.145 546 HB2 PHE 63 HB2 PHE 63 106.350 -13.016 0.275 547 HB3 PHE 63 HB1 PHE 63 107.005 -14.354 1.222 548 HD1 PHE 63 HD1 PHE 63 107.911 -12.248 -1.752 549 HD2 PHE 63 HD2 PHE 63 109.274 -14.290 1.772 550 HE1 PHE 63 HE1 PHE 63 110.205 -11.388 -2.141 551 HE2 PHE 63 HE2 PHE 63 111.566 -13.432 1.384 552 HZ PHE 63 HZ PHE 63 112.033 -11.981 -0.573 553 H GLN 64 HN GLN 64 104.148 -14.557 -0.777 554 HA GLN 64 HA GLN 64 103.505 -16.615 1.056 555 HB2 GLN 64 HB2 GLN 64 102.015 -14.696 0.620 556 HB3 GLN 64 HB1 GLN 64 101.736 -15.300 -1.011 557 HG2 GLN 64 HG2 GLN 64 100.723 -17.331 -0.151 558 HG3 GLN 64 HG1 GLN 64 101.127 -16.873 1.503 559 HE21 GLN 64 HE21 GLN 64 98.407 -17.353 0.557 560 HE22 GLN 64 HE22 GLN 64 97.564 -15.886 0.694 561 H ASP 65 HN ASP 65 103.449 -16.469 -2.477 562 HA ASP 65 HA ASP 65 102.355 -19.039 -2.899 563 HB2 ASP 65 HB2 ASP 65 102.420 -17.425 -4.691 564 HB3 ASP 65 HB1 ASP 65 104.179 -17.337 -4.594 565 H TYR 66 HN TYR 66 105.744 -17.909 -2.892 566 HA TYR 66 HA TYR 66 106.884 -20.471 -3.286 567 HB2 TYR 66 HB2 TYR 66 108.148 -18.422 -3.697 568 HB3 TYR 66 HB1 TYR 66 108.066 -18.008 -1.985 569 HD1 TYR 66 HD1 TYR 66 109.903 -18.580 -0.658 570 HD2 TYR 66 HD2 TYR 66 109.022 -20.922 -4.151 571 HE1 TYR 66 HE1 TYR 66 111.922 -19.957 -0.245 572 HE2 TYR 66 HE2 TYR 66 111.044 -22.297 -3.738 573 HH TYR 66 HH TYR 66 112.730 -22.251 -0.812 574 H TYR 67 HN TYR 67 106.098 -18.637 -0.366 575 HA TYR 67 HA TYR 67 107.266 -20.460 1.472 576 HB2 TYR 67 HB2 TYR 67 106.764 -18.157 2.113 577 HB3 TYR 67 HB1 TYR 67 105.047 -18.441 1.868 578 HD1 TYR 67 HD1 TYR 67 107.935 -20.032 3.671 579 HD2 TYR 67 HD2 TYR 67 103.787 -18.917 3.767 580 HE1 TYR 67 HE1 TYR 67 107.754 -20.900 5.987 581 HE2 TYR 67 HE2 TYR 67 103.609 -19.789 6.078 582 HH TYR 67 HH TYR 67 106.029 -20.271 8.054 583 H ASN 68 HN ASN 68 104.079 -20.193 0.002 584 HA ASN 68 HA ASN 68 102.714 -22.028 1.643 585 HB2 ASN 68 HB2 ASN 68 102.285 -21.018 -1.154 586 HB3 ASN 68 HB1 ASN 68 101.246 -22.271 -0.480 587 HD21 ASN 68 HD21 ASN 68 102.566 -19.972 1.785 588 HD22 ASN 68 HD22 ASN 68 101.144 -19.072 2.004 589 H THR 69 HN THR 69 104.611 -22.473 -1.317 590 HA THR 69 HA THR 69 103.988 -25.100 -1.943 591 HB THR 69 HB THR 69 106.248 -25.253 -2.938 592 HG1 THR 69 HG1 THR 69 107.570 -24.255 -1.552 593 HG21 THR 69 HG21 THR 69 104.234 -23.370 -3.517 594 HG22 THR 69 HG22 THR 69 105.488 -23.957 -4.609 595 HG23 THR 69 HG23 THR 69 105.758 -22.495 -3.662 596 H PHE 70 HN PHE 70 105.606 -23.918 0.834 597 HA PHE 70 HA PHE 70 106.774 -26.509 1.462 598 HB2 PHE 70 HB2 PHE 70 106.753 -23.873 2.947 599 HB3 PHE 70 HB1 PHE 70 107.530 -25.335 3.556 600 HD1 PHE 70 HD1 PHE 70 107.624 -22.707 0.980 601 HD2 PHE 70 HD2 PHE 70 109.535 -26.240 2.498 602 HE1 PHE 70 HE1 PHE 70 109.626 -22.216 -0.402 603 HE2 PHE 70 HE2 PHE 70 111.537 -25.750 1.117 604 HZ PHE 70 HZ PHE 70 111.582 -23.738 -0.332 605 H GLY 71 HN GLY 71 103.764 -25.710 1.371 606 HA2 GLY 71 HA2 GLY 71 101.848 -26.045 2.634 607 HA3 GLY 71 HA1 GLY 71 102.655 -27.564 3.011 608 HA PRO 72 HA PRO 72 103.859 -24.803 6.691 609 HB2 PRO 72 HB2 PRO 72 103.339 -22.135 6.627 610 HB3 PRO 72 HB1 PRO 72 104.798 -22.847 5.913 611 HG2 PRO 72 HG2 PRO 72 102.329 -21.872 4.591 612 HG3 PRO 72 HG1 PRO 72 104.005 -21.842 4.027 613 HD2 PRO 72 HD2 PRO 72 102.088 -23.683 3.203 614 HD3 PRO 72 HD1 PRO 72 103.843 -23.875 3.045 615 H GLU 73 HN GLU 73 102.638 -24.987 8.482 616 HA GLU 73 HA GLU 73 99.748 -24.716 8.277 617 HB2 GLU 73 HB2 GLU 73 101.597 -25.762 10.421 618 HB3 GLU 73 HB1 GLU 73 99.857 -25.609 10.653 619 HG2 GLU 73 HG2 GLU 73 101.113 -27.133 8.356 620 HG3 GLU 73 HG1 GLU 73 100.603 -27.892 9.863 621 H LYS 74 HN LYS 74 102.437 -23.214 9.976 622 HA LYS 74 HA LYS 74 100.967 -21.619 11.753 623 HB2 LYS 74 HB2 LYS 74 103.696 -21.361 10.517 624 HB3 LYS 74 HB1 LYS 74 103.061 -20.083 11.545 625 HG2 LYS 74 HG2 LYS 74 104.429 -21.713 12.826 626 HG3 LYS 74 HG1 LYS 74 102.759 -21.696 13.393 627 HD2 LYS 74 HD2 LYS 74 102.246 -23.713 12.218 628 HD3 LYS 74 HD1 LYS 74 103.754 -23.640 11.306 629 HE2 LYS 74 HE2 LYS 74 105.055 -24.080 13.290 630 HE3 LYS 74 HE1 LYS 74 103.632 -23.917 14.320 631 HZ1 LYS 74 HZ1 LYS 74 103.779 -25.933 12.163 632 HZ2 LYS 74 HZ2 LYS 74 102.720 -25.882 13.490 633 HZ3 LYS 74 HZ3 LYS 74 104.362 -26.253 13.722 634 H VAL 75 HN VAL 75 102.129 -20.894 8.458 635 HA VAL 75 HA VAL 75 101.790 -18.936 7.211 636 HB VAL 75 HB VAL 75 99.074 -20.109 7.738 637 HG11 VAL 75 HG11 VAL 75 98.339 -18.131 6.859 638 HG12 VAL 75 HG12 VAL 75 98.859 -18.859 5.340 639 HG13 VAL 75 HG13 VAL 75 99.918 -17.727 6.182 640 HG21 VAL 75 HG21 VAL 75 101.078 -21.325 6.558 641 HG22 VAL 75 HG22 VAL 75 100.719 -20.234 5.217 642 HG23 VAL 75 HG23 VAL 75 99.488 -21.363 5.794 643 HA PRO 76 HA PRO 76 100.972 -16.133 10.814 644 HB2 PRO 76 HB2 PRO 76 102.663 -14.396 9.075 645 HB3 PRO 76 HB1 PRO 76 102.768 -14.686 10.823 646 HG2 PRO 76 HG2 PRO 76 104.517 -15.769 9.141 647 HG3 PRO 76 HG1 PRO 76 103.932 -16.655 10.562 648 HD2 PRO 76 HD2 PRO 76 103.192 -16.997 7.685 649 HD3 PRO 76 HD1 PRO 76 103.343 -18.230 8.962 650 H VAL 77 HN VAL 77 99.149 -15.033 10.835 651 HA VAL 77 HA VAL 77 97.888 -14.136 8.366 652 HB VAL 77 HB VAL 77 96.948 -13.898 11.230 653 HG11 VAL 77 HG11 VAL 77 95.641 -13.427 8.553 654 HG12 VAL 77 HG12 VAL 77 95.759 -12.320 9.922 655 HG13 VAL 77 HG13 VAL 77 94.699 -13.726 10.014 656 HG21 VAL 77 HG21 VAL 77 96.390 -16.112 11.105 657 HG22 VAL 77 HG22 VAL 77 97.181 -16.211 9.528 658 HG23 VAL 77 HG23 VAL 77 95.470 -15.794 9.635 659 H THR 78 HN THR 78 99.898 -12.810 10.784 660 HA THR 78 HA THR 78 99.098 -10.201 11.075 661 HB THR 78 HB THR 78 101.469 -9.622 11.346 662 HG1 THR 78 HG1 THR 78 102.332 -12.164 10.750 663 HG21 THR 78 HG21 THR 78 100.278 -12.067 12.528 664 HG22 THR 78 HG22 THR 78 100.932 -10.634 13.321 665 HG23 THR 78 HG23 THR 78 102.020 -11.890 12.733 666 H ALA 79 HN ALA 79 100.456 -11.742 8.247 667 HA ALA 79 HA ALA 79 101.191 -9.513 6.737 668 HB1 ALA 79 HB1 ALA 79 100.306 -11.196 4.829 669 HB2 ALA 79 HB2 ALA 79 100.413 -12.317 6.189 670 HB3 ALA 79 HB3 ALA 79 101.841 -11.417 5.669 671 H PHE 80 HN PHE 80 98.047 -10.869 7.432 672 HA PHE 80 HA PHE 80 96.612 -9.486 5.382 673 HB2 PHE 80 HB2 PHE 80 95.803 -10.930 7.900 674 HB3 PHE 80 HB1 PHE 80 94.624 -10.073 6.927 675 HD1 PHE 80 HD1 PHE 80 93.658 -11.112 5.061 676 HD2 PHE 80 HD2 PHE 80 97.353 -12.619 6.650 677 HE1 PHE 80 HE1 PHE 80 93.550 -13.030 3.492 678 HE2 PHE 80 HE2 PHE 80 97.245 -14.536 5.081 679 HZ PHE 80 HZ PHE 80 95.345 -14.742 3.502 680 H SER 81 HN SER 81 97.424 -8.796 8.755 681 HA SER 81 HA SER 81 95.725 -6.542 9.057 682 HB2 SER 81 HB2 SER 81 97.170 -5.999 10.988 683 HB3 SER 81 HB1 SER 81 96.676 -7.689 10.990 684 HG SER 81 HG SER 81 99.167 -6.535 10.352 685 H TYR 82 HN TYR 82 99.107 -6.894 8.043 686 HA TYR 82 HA TYR 82 99.728 -4.153 7.881 687 HB2 TYR 82 HB2 TYR 82 100.840 -6.648 6.683 688 HB3 TYR 82 HB1 TYR 82 101.332 -5.108 5.986 689 HD1 TYR 82 HD1 TYR 82 101.535 -7.302 8.915 690 HD2 TYR 82 HD2 TYR 82 102.488 -3.414 7.359 691 HE1 TYR 82 HE1 TYR 82 103.112 -6.937 10.794 692 HE2 TYR 82 HE2 TYR 82 104.065 -3.049 9.238 693 HH TYR 82 HH TYR 82 105.132 -5.540 11.251 694 H TRP 83 HN TRP 83 98.459 -6.402 5.436 695 HA TRP 83 HA TRP 83 98.458 -4.670 3.252 696 HB2 TRP 83 HB2 TRP 83 96.600 -6.947 3.965 697 HB3 TRP 83 HB1 TRP 83 96.560 -6.121 2.409 698 HD1 TRP 83 HD1 TRP 83 100.014 -6.334 3.764 699 HE1 TRP 83 HE1 TRP 83 101.344 -8.157 2.540 700 HE3 TRP 83 HE3 TRP 83 96.215 -8.679 1.283 701 HZ2 TRP 83 HZ2 TRP 83 100.870 -10.330 0.742 702 HZ3 TRP 83 HZ3 TRP 83 96.686 -10.623 -0.180 703 HH2 TRP 83 HH2 TRP 83 99.007 -11.450 -0.454 704 H ASN 84 HN ASN 84 95.893 -5.228 5.648 705 HA ASN 84 HA ASN 84 94.044 -3.406 4.524 706 HB2 ASN 84 HB2 ASN 84 94.372 -4.679 7.226 707 HB3 ASN 84 HB1 ASN 84 93.145 -3.440 6.971 708 HD21 ASN 84 HD21 ASN 84 92.312 -4.068 4.332 709 HD22 ASN 84 HD22 ASN 84 91.604 -5.611 4.334 710 H LEU 85 HN LEU 85 96.526 -3.002 7.057 711 HA LEU 85 HA LEU 85 95.762 -0.371 7.722 712 HB2 LEU 85 HB2 LEU 85 97.088 -1.750 9.235 713 HB3 LEU 85 HB1 LEU 85 98.409 -1.785 8.068 714 HG LEU 85 HG LEU 85 98.647 0.649 8.230 715 HD11 LEU 85 HD11 LEU 85 96.181 0.347 9.906 716 HD12 LEU 85 HD12 LEU 85 96.575 1.586 8.714 717 HD13 LEU 85 HD13 LEU 85 97.320 1.631 10.310 718 HD21 LEU 85 HD21 LEU 85 99.804 -0.894 9.849 719 HD22 LEU 85 HD22 LEU 85 98.504 -0.576 10.995 720 HD23 LEU 85 HD23 LEU 85 99.552 0.738 10.470 721 H ILE 86 HN ILE 86 98.671 -1.502 5.980 722 HA ILE 86 HA ILE 86 99.564 0.938 5.055 723 HB ILE 86 HB ILE 86 99.960 -1.862 4.310 724 HG12 ILE 86 HG12 ILE 86 101.894 0.453 4.123 725 HG13 ILE 86 HG11 ILE 86 101.430 -0.236 5.686 726 HG21 ILE 86 HG21 ILE 86 101.132 -1.200 2.162 727 HG22 ILE 86 HG22 ILE 86 100.235 0.308 2.231 728 HG23 ILE 86 HG23 ILE 86 99.369 -1.218 2.088 729 HD11 ILE 86 HD11 ILE 86 102.529 -1.859 3.383 730 HD12 ILE 86 HD12 ILE 86 102.217 -2.419 5.027 731 HD13 ILE 86 HD13 ILE 86 103.505 -1.251 4.723 732 H LYS 87 HN LYS 87 97.052 -1.147 3.737 733 HA LYS 87 HA LYS 87 96.688 0.051 1.264 734 HB2 LYS 87 HB2 LYS 87 95.417 -1.867 1.544 735 HB3 LYS 87 HB1 LYS 87 94.870 -1.395 3.152 736 HG2 LYS 87 HG2 LYS 87 93.327 0.202 2.277 737 HG3 LYS 87 HG1 LYS 87 94.056 0.121 0.664 738 HD2 LYS 87 HD2 LYS 87 93.327 -2.253 0.496 739 HD3 LYS 87 HD1 LYS 87 92.546 -2.101 2.071 740 HE2 LYS 87 HE2 LYS 87 91.110 -0.302 1.198 741 HE3 LYS 87 HE1 LYS 87 91.902 -0.425 -0.372 742 HZ1 LYS 87 HZ1 LYS 87 89.841 -2.052 0.751 743 HZ2 LYS 87 HZ2 LYS 87 91.156 -2.982 0.211 744 HZ3 LYS 87 HZ3 LYS 87 90.362 -1.928 -0.859 745 H GLU 88 HN GLU 88 95.228 0.966 4.418 746 HA GLU 88 HA GLU 88 93.869 3.185 3.202 747 HB2 GLU 88 HB2 GLU 88 92.722 3.314 5.171 748 HB3 GLU 88 HB1 GLU 88 93.327 1.670 5.324 749 HG2 GLU 88 HG2 GLU 88 93.891 2.617 7.388 750 HG3 GLU 88 HG1 GLU 88 95.385 2.751 6.477 751 H LEU 89 HN LEU 89 96.962 2.642 4.579 752 HA LEU 89 HA LEU 89 97.505 5.132 5.706 753 HB2 LEU 89 HB2 LEU 89 98.833 2.871 5.578 754 HB3 LEU 89 HB1 LEU 89 99.631 3.655 4.230 755 HG LEU 89 HG LEU 89 100.909 4.104 6.234 756 HD11 LEU 89 HD11 LEU 89 100.389 5.979 4.535 757 HD12 LEU 89 HD12 LEU 89 101.077 6.433 6.091 758 HD13 LEU 89 HD13 LEU 89 99.352 6.635 5.804 759 HD21 LEU 89 HD21 LEU 89 100.015 4.565 8.277 760 HD22 LEU 89 HD22 LEU 89 98.533 3.909 7.586 761 HD23 LEU 89 HD23 LEU 89 98.801 5.651 7.606 762 H ILE 90 HN ILE 90 97.970 3.960 2.375 763 HA ILE 90 HA ILE 90 99.208 6.315 1.413 764 HB ILE 90 HB ILE 90 97.528 4.240 -0.031 765 HG12 ILE 90 HG12 ILE 90 100.498 4.669 0.397 766 HG13 ILE 90 HG11 ILE 90 99.531 3.309 0.935 767 HG21 ILE 90 HG21 ILE 90 97.553 6.358 -1.311 768 HG22 ILE 90 HG22 ILE 90 98.572 5.180 -2.104 769 HG23 ILE 90 HG23 ILE 90 99.301 6.461 -1.134 770 HD11 ILE 90 HD11 ILE 90 98.998 3.187 -1.708 771 HD12 ILE 90 HD12 ILE 90 100.365 2.349 -0.982 772 HD13 ILE 90 HD13 ILE 90 100.608 3.902 -1.775 773 H ASP 91 HN ASP 91 95.804 5.292 1.566 774 HA ASP 91 HA ASP 91 94.512 7.196 0.119 775 HB2 ASP 91 HB2 ASP 91 93.520 5.331 1.587 776 HB3 ASP 91 HB1 ASP 91 93.564 6.510 2.895 777 H LYS 92 HN LYS 92 96.195 7.657 3.145 778 HA LYS 92 HA LYS 92 95.097 10.164 3.855 779 HB2 LYS 92 HB2 LYS 92 96.733 8.494 5.128 780 HB3 LYS 92 HB1 LYS 92 97.965 9.546 4.432 781 HG2 LYS 92 HG2 LYS 92 96.941 11.503 5.459 782 HG3 LYS 92 HG1 LYS 92 95.602 10.526 6.065 783 HD2 LYS 92 HD2 LYS 92 97.151 9.219 7.448 784 HD3 LYS 92 HD1 LYS 92 98.511 10.159 6.831 785 HE2 LYS 92 HE2 LYS 92 97.963 11.173 8.910 786 HE3 LYS 92 HE1 LYS 92 97.259 12.231 7.688 787 HZ1 LYS 92 HZ1 LYS 92 95.282 11.894 8.583 788 HZ2 LYS 92 HZ2 LYS 92 95.960 10.875 9.761 789 HZ3 LYS 92 HZ3 LYS 92 95.404 10.229 8.291 790 H LYS 93 HN LYS 93 95.460 12.174 3.107 791 HA LYS 93 HA LYS 93 97.056 12.498 0.717 792 HB2 LYS 93 HB2 LYS 93 95.399 14.450 2.330 793 HB3 LYS 93 HB1 LYS 93 96.218 14.854 0.821 794 HG2 LYS 93 HG2 LYS 93 94.949 13.073 -0.338 795 HG3 LYS 93 HG1 LYS 93 94.114 12.696 1.170 796 HD2 LYS 93 HD2 LYS 93 93.181 14.968 1.244 797 HD3 LYS 93 HD1 LYS 93 94.045 15.382 -0.238 798 HE2 LYS 93 HE2 LYS 93 91.767 14.820 -0.836 799 HE3 LYS 93 HE1 LYS 93 92.813 13.513 -1.391 800 HZ1 LYS 93 HZ1 LYS 93 90.914 12.591 -0.290 801 HZ2 LYS 93 HZ2 LYS 93 91.181 13.548 1.088 802 HZ3 LYS 93 HZ3 LYS 93 92.280 12.319 0.678 803 H GLU 94 HN GLU 94 97.772 12.510 3.950 804 HA GLU 94 HA GLU 94 99.765 14.653 3.794 805 HB2 GLU 94 HB2 GLU 94 98.807 12.910 6.069 806 HB3 GLU 94 HB1 GLU 94 100.131 14.065 6.220 807 HG2 GLU 94 HG2 GLU 94 98.645 15.897 5.560 808 HG3 GLU 94 HG1 GLU 94 97.319 14.759 5.328 809 H VAL 95 HN VAL 95 100.282 12.541 2.061 810 HA VAL 95 HA VAL 95 102.054 10.616 3.227 811 HB VAL 95 HB VAL 95 101.810 11.477 0.334 812 HG11 VAL 95 HG11 VAL 95 102.770 9.236 -0.104 813 HG12 VAL 95 HG12 VAL 95 102.962 8.996 1.632 814 HG13 VAL 95 HG13 VAL 95 103.881 10.254 0.809 815 HG21 VAL 95 HG21 VAL 95 100.515 9.166 0.400 816 HG22 VAL 95 HG22 VAL 95 99.693 10.681 0.769 817 HG23 VAL 95 HG23 VAL 95 100.238 9.632 2.078 818 H ASN 96 HN ASN 96 104.230 10.687 3.487 819 HA ASN 96 HA ASN 96 105.623 12.930 3.986 820 HB2 ASN 96 HB2 ASN 96 107.525 11.261 2.738 821 HB3 ASN 96 HB1 ASN 96 107.149 11.363 4.457 822 HD21 ASN 96 HD21 ASN 96 106.931 9.226 5.166 823 HD22 ASN 96 HD22 ASN 96 106.001 8.043 4.382 824 HA PRO 97 HA PRO 97 106.734 15.395 0.491 825 HB2 PRO 97 HB2 PRO 97 109.571 14.537 0.814 826 HB3 PRO 97 HB1 PRO 97 108.894 16.172 0.706 827 HG2 PRO 97 HG2 PRO 97 109.709 15.099 3.027 828 HG3 PRO 97 HG1 PRO 97 108.367 16.248 2.919 829 HD2 PRO 97 HD2 PRO 97 108.288 13.344 3.488 830 HD3 PRO 97 HD1 PRO 97 107.103 14.612 3.864 831 H GLN 98 HN GLN 98 107.736 12.081 0.650 832 HA GLN 98 HA GLN 98 108.863 11.575 -1.796 833 HB2 GLN 98 HB2 GLN 98 108.387 9.379 -1.399 834 HB3 GLN 98 HB1 GLN 98 107.996 10.008 0.201 835 HG2 GLN 98 HG2 GLN 98 105.617 10.377 -0.757 836 HG3 GLN 98 HG1 GLN 98 106.123 9.277 -2.046 837 HE21 GLN 98 HE21 GLN 98 104.201 8.042 -0.862 838 HE22 GLN 98 HE22 GLN 98 104.680 6.987 0.378 839 H VAL 99 HN VAL 99 105.807 12.933 -1.243 840 HA VAL 99 HA VAL 99 104.280 11.940 -3.378 841 HB VAL 99 HB VAL 99 104.322 14.667 -2.069 842 HG11 VAL 99 HG11 VAL 99 103.229 15.150 -4.068 843 HG12 VAL 99 HG12 VAL 99 101.880 14.594 -3.077 844 HG13 VAL 99 HG13 VAL 99 102.621 13.506 -4.251 845 HG21 VAL 99 HG21 VAL 99 102.244 12.502 -1.791 846 HG22 VAL 99 HG22 VAL 99 102.601 13.836 -0.694 847 HG23 VAL 99 HG23 VAL 99 103.712 12.469 -0.813 848 H MET 100 HN MET 100 106.480 14.748 -3.266 849 HA MET 100 HA MET 100 106.102 15.504 -5.974 850 HB2 MET 100 HB2 MET 100 108.303 16.022 -3.976 851 HB3 MET 100 HB1 MET 100 108.348 16.669 -5.617 852 HG2 MET 100 HG2 MET 100 106.193 17.789 -5.260 853 HG3 MET 100 HG1 MET 100 106.088 17.100 -3.642 854 HE1 MET 100 HE1 MET 100 109.447 18.757 -5.422 855 HE2 MET 100 HE2 MET 100 108.774 20.377 -5.264 856 HE3 MET 100 HE3 MET 100 107.869 19.137 -6.126 857 H ALA 101 HN ALA 101 108.443 13.405 -4.363 858 HA ALA 101 HA ALA 101 109.917 12.832 -6.765 859 HB1 ALA 101 HB1 ALA 101 110.628 10.853 -5.027 860 HB2 ALA 101 HB2 ALA 101 109.998 12.056 -3.895 861 HB3 ALA 101 HB3 ALA 101 111.328 12.474 -4.977 862 H ALA 102 HN ALA 102 107.057 11.711 -5.364 863 HA ALA 102 HA ALA 102 107.142 9.086 -6.652 864 HB1 ALA 102 HB1 ALA 102 106.176 9.188 -4.419 865 HB2 ALA 102 HB2 ALA 102 104.929 8.746 -5.593 866 HB3 ALA 102 HB3 ALA 102 105.002 10.392 -4.965 867 H VAL 103 HN VAL 103 105.514 12.182 -6.957 868 HA VAL 103 HA VAL 103 103.595 11.525 -8.880 869 HB VAL 103 HB VAL 103 105.117 14.064 -8.304 870 HG11 VAL 103 HG11 VAL 103 103.151 13.439 -10.508 871 HG12 VAL 103 HG12 VAL 103 104.646 14.371 -10.593 872 HG13 VAL 103 HG13 VAL 103 103.222 15.059 -9.812 873 HG21 VAL 103 HG21 VAL 103 102.144 13.641 -8.129 874 HG22 VAL 103 HG22 VAL 103 103.175 14.702 -7.168 875 HG23 VAL 103 HG23 VAL 103 103.178 12.963 -6.873 876 H ALA 104 HN ALA 104 106.989 12.472 -9.270 877 HA ALA 104 HA ALA 104 107.119 12.709 -12.031 878 HB1 ALA 104 HB1 ALA 104 109.390 11.272 -10.829 879 HB2 ALA 104 HB2 ALA 104 108.945 12.761 -9.995 880 HB3 ALA 104 HB3 ALA 104 109.359 12.800 -11.708 881 H GLN 105 HN GLN 105 106.899 9.834 -10.043 882 HA GLN 105 HA GLN 105 107.745 7.867 -11.813 883 HB2 GLN 105 HB2 GLN 105 107.051 7.517 -9.421 884 HB3 GLN 105 HB1 GLN 105 105.372 7.620 -9.953 885 HG2 GLN 105 HG2 GLN 105 105.745 5.732 -11.501 886 HG3 GLN 105 HG1 GLN 105 107.418 5.622 -10.960 887 HE21 GLN 105 HE21 GLN 105 107.571 3.818 -9.622 888 HE22 GLN 105 HE22 GLN 105 106.464 3.423 -8.398 889 H THR 106 HN THR 106 104.767 9.714 -11.767 890 HA THR 106 HA THR 106 104.008 8.449 -14.327 891 HB THR 106 HB THR 106 101.675 8.425 -13.670 892 HG1 THR 106 HG1 THR 106 101.153 9.814 -12.200 893 HG21 THR 106 HG21 THR 106 102.839 7.228 -11.229 894 HG22 THR 106 HG22 THR 106 103.574 6.709 -12.746 895 HG23 THR 106 HG23 THR 106 101.844 6.489 -12.482 896 H GLU 107 HN GLU 107 102.636 9.800 -15.676 897 HA GLU 107 HA GLU 107 103.309 12.636 -15.351 898 HB2 GLU 107 HB2 GLU 107 102.159 11.093 -17.689 899 HB3 GLU 107 HB1 GLU 107 102.503 12.823 -17.702 900 HG2 GLU 107 HG2 GLU 107 104.870 12.382 -17.218 901 HG3 GLU 107 HG1 GLU 107 104.546 10.651 -17.161 902 H GLU 108 HN GLU 108 101.748 14.286 -15.427 903 HA GLU 108 HA GLU 108 99.236 13.600 -14.204 904 HB2 GLU 108 HB2 GLU 108 100.334 16.226 -15.236 905 HB3 GLU 108 HB1 GLU 108 98.799 16.059 -14.379 906 HG2 GLU 108 HG2 GLU 108 99.962 15.124 -12.431 907 HG3 GLU 108 HG1 GLU 108 101.502 15.224 -13.284 908 H ILE 109 HN ILE 109 97.464 12.990 -15.245 909 HA ILE 109 HA ILE 109 97.226 12.764 -18.014 910 HB ILE 109 HB ILE 109 94.779 12.469 -17.574 911 HG12 ILE 109 HG12 ILE 109 95.508 13.086 -14.693 912 HG13 ILE 109 HG11 ILE 109 94.713 14.239 -15.758 913 HG21 ILE 109 HG21 ILE 109 96.902 11.069 -15.983 914 HG22 ILE 109 HG22 ILE 109 95.857 10.438 -17.258 915 HG23 ILE 109 HG23 ILE 109 95.218 10.687 -15.637 916 HD11 ILE 109 HD11 ILE 109 93.415 12.398 -14.168 917 HD12 ILE 109 HD12 ILE 109 93.416 11.611 -15.747 918 HD13 ILE 109 HD13 ILE 109 92.709 13.216 -15.562 919 H LEU 110 HN LEU 110 96.557 15.462 -15.902 920 HA LEU 110 HA LEU 110 94.962 16.991 -17.675 921 HB2 LEU 110 HB2 LEU 110 96.847 18.035 -15.550 922 HB3 LEU 110 HB1 LEU 110 95.444 18.858 -16.226 923 HG LEU 110 HG LEU 110 95.351 16.252 -14.677 924 HD11 LEU 110 HD11 LEU 110 95.901 18.508 -13.465 925 HD12 LEU 110 HD12 LEU 110 94.646 17.461 -12.802 926 HD13 LEU 110 HD13 LEU 110 94.200 18.874 -13.759 927 HD21 LEU 110 HD21 LEU 110 93.312 17.944 -16.099 928 HD22 LEU 110 HD22 LEU 110 92.833 17.061 -14.651 929 HD23 LEU 110 HD23 LEU 110 93.461 16.188 -16.047 930 H LYS 111 HN LYS 111 98.435 16.612 -17.272 931 HA LYS 111 HA LYS 111 99.266 18.799 -18.832 932 HB2 LYS 111 HB2 LYS 111 100.714 17.415 -17.301 933 HB3 LYS 111 HB1 LYS 111 100.715 16.159 -18.538 934 HG2 LYS 111 HG2 LYS 111 101.761 17.666 -20.139 935 HG3 LYS 111 HG1 LYS 111 101.630 19.020 -19.015 936 HD2 LYS 111 HD2 LYS 111 103.116 17.821 -17.432 937 HD3 LYS 111 HD1 LYS 111 103.261 16.495 -18.588 938 HE2 LYS 111 HE2 LYS 111 104.271 17.989 -20.233 939 HE3 LYS 111 HE1 LYS 111 104.047 19.367 -19.156 940 HZ1 LYS 111 HZ1 LYS 111 105.503 18.306 -17.550 941 HZ2 LYS 111 HZ2 LYS 111 106.300 18.507 -19.037 942 HZ3 LYS 111 HZ3 LYS 111 105.717 16.977 -18.583 943 H SER 112 HN SER 112 97.496 16.123 -19.739 944 HA SER 112 HA SER 112 98.605 15.449 -22.238 945 HB2 SER 112 HB2 SER 112 96.929 14.003 -21.359 946 HB3 SER 112 HB1 SER 112 95.784 15.328 -21.180 947 HG SER 112 HG SER 112 95.610 15.454 -23.388 948 H ASN 113 HN ASN 113 96.131 17.839 -21.347 949 HA ASN 113 HA ASN 113 95.680 18.783 -23.988 950 HB2 ASN 113 HB2 ASN 113 94.055 19.189 -22.232 951 HB3 ASN 113 HB1 ASN 113 95.233 20.124 -21.315 952 HD21 ASN 113 HD21 ASN 113 93.020 21.565 -21.841 953 HD22 ASN 113 HD22 ASN 113 93.246 22.638 -23.136 954 H SER 114 HN SER 114 97.806 19.875 -21.374 955 HA SER 114 HA SER 114 99.610 21.093 -23.275 956 HB2 SER 114 HB2 SER 114 98.417 22.927 -21.205 957 HB3 SER 114 HB1 SER 114 99.407 23.346 -22.601 958 HG SER 114 HG SER 114 96.731 23.040 -22.411 959 H GLN 115 HN GLN 115 100.806 22.840 -21.314 960 HA GLN 115 HA GLN 115 102.503 20.967 -20.008 961 HB2 GLN 115 HB2 GLN 115 102.173 23.949 -19.695 962 HB3 GLN 115 HB1 GLN 115 103.448 23.014 -18.912 963 HG2 GLN 115 HG2 GLN 115 104.272 22.257 -21.090 964 HG3 GLN 115 HG1 GLN 115 102.966 23.116 -21.904 965 HE21 GLN 115 HE21 GLN 115 106.044 23.498 -21.890 966 HE22 GLN 115 HE22 GLN 115 106.235 25.153 -21.567 967 H THR 116 HN THR 116 99.816 22.997 -18.915 968 HA THR 116 HA THR 116 99.635 21.348 -16.493 969 HB THR 116 HB THR 116 99.518 23.220 -15.016 970 HG1 THR 116 HG1 THR 116 100.032 25.089 -16.997 971 HG21 THR 116 HG21 THR 116 101.731 24.118 -15.199 972 HG22 THR 116 HG22 THR 116 101.755 23.870 -16.945 973 HG23 THR 116 HG23 THR 116 101.800 22.483 -15.856 974 H ASP 117 HN ASP 117 97.545 21.857 -15.289 975 HA ASP 117 HA ASP 117 95.359 21.556 -17.054 976 HB2 ASP 117 HB2 ASP 117 93.970 21.822 -15.016 977 HB3 ASP 117 HB1 ASP 117 95.287 20.678 -14.787 978 H LEU 118 HN LEU 118 96.549 24.345 -15.193 979 HA LEU 118 HA LEU 118 94.483 26.142 -15.931 980 HB2 LEU 118 HB2 LEU 118 97.262 26.435 -14.858 981 HB3 LEU 118 HB1 LEU 118 96.423 27.863 -15.464 982 HG LEU 118 HG LEU 118 94.536 27.413 -13.950 983 HD11 LEU 118 HD11 LEU 118 96.234 25.042 -13.134 984 HD12 LEU 118 HD12 LEU 118 94.610 25.009 -13.820 985 HD13 LEU 118 HD13 LEU 118 94.866 25.631 -12.190 986 HD21 LEU 118 HD21 LEU 118 97.324 27.710 -12.908 987 HD22 LEU 118 HD22 LEU 118 96.026 27.481 -11.738 988 HD23 LEU 118 HD23 LEU 118 95.978 28.847 -12.852 989 H GLU 119 HN GLU 119 97.646 25.413 -17.358 990 HA GLU 119 HA GLU 119 98.568 25.941 -19.401 991 HB2 GLU 119 HB2 GLU 119 96.527 24.630 -20.102 992 HB3 GLU 119 HB1 GLU 119 95.687 26.167 -20.308 993 HG2 GLU 119 HG2 GLU 119 97.438 26.886 -21.919 994 HG3 GLU 119 HG1 GLU 119 98.223 25.320 -21.738 995 H HIS 120 HN HIS 120 99.039 28.041 -18.117 996 HA HIS 120 HA HIS 120 97.670 30.350 -19.350 997 HB2 HIS 120 HB2 HIS 120 98.022 29.986 -16.748 998 HB3 HIS 120 HB1 HIS 120 99.617 30.651 -17.102 999 HD1 HIS 120 HD1 HIS 120 99.415 32.948 -18.730 1000 HD2 HIS 120 HD2 HIS 120 96.194 31.992 -16.262 1001 HE1 HIS 120 HE1 HIS 120 98.051 35.066 -18.479 1002 HE2 HIS 120 HE2 HIS 120 96.083 34.501 -16.977 1003 H HIS 121 HN HIS 121 98.687 30.793 -21.229 1004 HA HIS 121 HA HIS 121 101.552 30.507 -21.516 1005 HB2 HIS 121 HB2 HIS 121 100.106 30.010 -23.416 1006 HB3 HIS 121 HB1 HIS 121 99.455 31.649 -23.377 1007 HD1 HIS 121 HD1 HIS 121 102.483 29.683 -24.355 1008 HD2 HIS 121 HD2 HIS 121 101.252 33.666 -24.344 1009 HE1 HIS 121 HE1 HIS 121 104.173 30.958 -25.745 1010 HE2 HIS 121 HE2 HIS 121 103.436 33.388 -25.748 1011 H HIS 122 HN HIS 122 103.042 32.041 -21.195 1012 HA HIS 122 HA HIS 122 102.240 34.635 -20.211 1013 HB2 HIS 122 HB2 HIS 122 104.950 33.407 -20.762 1014 HB3 HIS 122 HB1 HIS 122 104.718 35.011 -20.065 1015 HD1 HIS 122 HD1 HIS 122 103.800 31.385 -19.356 1016 HD2 HIS 122 HD2 HIS 122 104.278 34.991 -17.321 1017 HE1 HIS 122 HE1 HIS 122 103.564 30.852 -16.891 1018 HE2 HIS 122 HE2 HIS 122 103.854 33.042 -15.636 1019 H HIS 123 HN HIS 123 102.091 36.482 -21.329 1020 HA HIS 123 HA HIS 123 102.175 36.526 -24.149 1021 HB2 HIS 123 HB2 HIS 123 101.840 38.535 -21.986 1022 HB3 HIS 123 HB1 HIS 123 102.324 39.143 -23.569 1023 HD1 HIS 123 HD1 HIS 123 99.494 37.477 -21.771 1024 HD2 HIS 123 HD2 HIS 123 100.378 38.767 -25.636 1025 HE1 HIS 123 HE1 HIS 123 97.320 37.399 -23.068 1026 HE2 HIS 123 HE2 HIS 123 97.842 38.182 -25.426 1027 H HIS 124 HN HIS 124 104.497 37.576 -21.690 1028 HA HIS 124 HA HIS 124 106.567 37.667 -23.790 1029 HB2 HIS 124 HB2 HIS 124 106.160 39.732 -21.614 1030 HB3 HIS 124 HB1 HIS 124 107.540 39.670 -22.710 1031 HD1 HIS 124 HD1 HIS 124 103.848 40.384 -22.632 1032 HD2 HIS 124 HD2 HIS 124 106.995 40.533 -25.361 1033 HE1 HIS 124 HE1 HIS 124 102.977 41.623 -24.662 1034 HE2 HIS 124 HE2 HIS 124 104.884 41.722 -26.335 1035 H HIS 125 HN HIS 125 108.614 37.021 -23.140 1036 HA HIS 125 HA HIS 125 108.687 35.544 -20.607 1037 HB2 HIS 125 HB2 HIS 125 110.498 35.517 -23.030 1038 HB3 HIS 125 HB1 HIS 125 110.795 34.575 -21.568 1039 HD1 HIS 125 HD1 HIS 125 108.635 32.995 -20.850 1040 HD2 HIS 125 HD2 HIS 125 108.882 34.185 -24.838 1041 HE1 HIS 125 HE1 HIS 125 107.142 31.423 -22.159 1042 HE2 HIS 125 HE2 HIS 125 107.282 32.136 -24.593 Start of MODEL 15 1 H21 MYR 1 1H2 MYR 1 118.329 8.524 1.224 2 H22 MYR 1 2H2 MYR 1 117.471 9.261 2.395 3 H31 MYR 1 1H3 MYR 1 115.985 9.870 0.357 4 H32 MYR 1 2H3 MYR 1 116.586 8.456 -0.181 5 H41 MYR 1 1H4 MYR 1 115.470 7.261 1.315 6 H42 MYR 1 2H4 MYR 1 115.548 8.420 2.455 7 H51 MYR 1 1H5 MYR 1 113.868 9.653 1.203 8 H52 MYR 1 2H5 MYR 1 113.676 8.347 0.239 9 H61 MYR 1 1H6 MYR 1 112.851 8.707 2.938 10 H62 MYR 1 2H6 MYR 1 112.079 7.914 1.743 11 H71 MYR 1 1H7 MYR 1 114.123 6.330 2.204 12 H72 MYR 1 2H7 MYR 1 113.788 6.883 3.701 13 H81 MYR 1 1H8 MYR 1 111.688 5.740 2.145 14 H82 MYR 1 2H8 MYR 1 112.717 4.753 2.933 15 H91 MYR 1 1H9 MYR 1 111.812 5.174 4.906 16 H92 MYR 1 2H9 MYR 1 111.511 6.735 4.550 17 H101 MYR 1 1H10 MYR 1 109.417 5.958 4.646 18 H102 MYR 1 2H10 MYR 1 109.708 5.761 3.057 19 H111 MYR 1 1H11 MYR 1 110.067 3.475 3.328 20 H112 MYR 1 2H11 MYR 1 110.066 3.605 4.949 21 H121 MYR 1 1H12 MYR 1 107.851 3.629 5.078 22 H122 MYR 1 2H12 MYR 1 107.677 4.458 3.688 23 H131 MYR 1 1H13 MYR 1 108.386 2.306 2.591 24 H132 MYR 1 2H13 MYR 1 107.952 1.619 4.001 25 H141 MYR 1 1H14 MYR 1 105.945 1.483 3.093 26 H142 MYR 1 2H14 MYR 1 105.828 3.068 3.483 27 H143 MYR 1 3H14 MYR 1 106.289 2.631 1.979 28 H GLY 2 HN GLY 2 120.005 9.559 1.347 29 HA2 GLY 2 HA2 GLY 2 121.191 11.294 2.313 30 HA3 GLY 2 HA1 GLY 2 119.950 12.401 1.734 31 H GLN 3 HN GLN 3 119.513 13.574 3.555 32 HA GLN 3 HA GLN 3 119.393 12.511 6.176 33 HB2 GLN 3 HB2 GLN 3 118.236 15.039 4.983 34 HB3 GLN 3 HB1 GLN 3 118.242 14.674 6.709 35 HG2 GLN 3 HG2 GLN 3 120.682 14.541 6.708 36 HG3 GLN 3 HG1 GLN 3 120.720 14.803 4.965 37 HE21 GLN 3 HE21 GLN 3 122.159 16.707 5.967 38 HE22 GLN 3 HE22 GLN 3 121.322 18.156 6.249 39 H GLU 4 HN GLU 4 117.108 12.675 3.571 40 HA GLU 4 HA GLU 4 114.663 12.566 4.858 41 HB2 GLU 4 HB2 GLU 4 115.564 11.097 2.373 42 HB3 GLU 4 HB1 GLU 4 113.884 11.237 2.890 43 HG2 GLU 4 HG2 GLU 4 114.039 13.689 2.780 44 HG3 GLU 4 HG1 GLU 4 115.729 13.567 2.290 45 H LEU 5 HN LEU 5 117.182 10.200 4.767 46 HA LEU 5 HA LEU 5 115.956 7.792 5.145 47 HB2 LEU 5 HB2 LEU 5 118.432 8.201 5.174 48 HB3 LEU 5 HB1 LEU 5 118.270 8.792 6.827 49 HG LEU 5 HG LEU 5 117.258 6.598 7.473 50 HD11 LEU 5 HD11 LEU 5 116.395 5.477 5.684 51 HD12 LEU 5 HD12 LEU 5 118.022 4.806 5.577 52 HD13 LEU 5 HD13 LEU 5 117.558 6.165 4.553 53 HD21 LEU 5 HD21 LEU 5 119.546 6.771 7.991 54 HD22 LEU 5 HD22 LEU 5 120.028 6.745 6.295 55 HD23 LEU 5 HD23 LEU 5 119.450 5.270 7.071 56 H SER 6 HN SER 6 115.919 10.525 7.282 57 HA SER 6 HA SER 6 115.274 9.336 9.721 58 HB2 SER 6 HB2 SER 6 114.179 11.485 10.265 59 HB3 SER 6 HB1 SER 6 115.752 11.726 9.507 60 HG SER 6 HG SER 6 114.670 12.880 8.124 61 H GLN 7 HN GLN 7 113.294 9.966 6.889 62 HA GLN 7 HA GLN 7 110.743 9.630 7.965 63 HB2 GLN 7 HB2 GLN 7 111.798 8.812 5.244 64 HB3 GLN 7 HB1 GLN 7 110.090 8.915 5.675 65 HG2 GLN 7 HG2 GLN 7 112.026 11.232 5.909 66 HG3 GLN 7 HG1 GLN 7 110.976 10.970 4.517 67 HE21 GLN 7 HE21 GLN 7 111.071 12.971 7.016 68 HE22 GLN 7 HE22 GLN 7 109.434 13.040 7.458 69 H HIS 8 HN HIS 8 112.987 7.157 6.646 70 HA HIS 8 HA HIS 8 111.338 4.934 6.980 71 HB2 HIS 8 HB2 HIS 8 113.674 5.154 5.866 72 HB3 HIS 8 HB1 HIS 8 114.306 4.853 7.483 73 HD1 HIS 8 HD1 HIS 8 114.871 2.723 5.404 74 HD2 HIS 8 HD2 HIS 8 111.425 2.704 7.746 75 HE1 HIS 8 HE1 HIS 8 114.023 0.337 5.412 76 HE2 HIS 8 HE2 HIS 8 111.921 0.308 6.835 77 H GLU 9 HN GLU 9 113.773 6.288 9.213 78 HA GLU 9 HA GLU 9 113.573 4.543 11.328 79 HB2 GLU 9 HB2 GLU 9 113.749 7.564 11.465 80 HB3 GLU 9 HB1 GLU 9 114.110 6.469 12.799 81 HG2 GLU 9 HG2 GLU 9 115.492 6.319 10.111 82 HG3 GLU 9 HG1 GLU 9 116.135 7.230 11.476 83 H ARG 10 HN ARG 10 111.316 7.076 10.393 84 HA ARG 10 HA ARG 10 109.624 6.726 12.709 85 HB2 ARG 10 HB2 ARG 10 109.611 8.881 11.659 86 HB3 ARG 10 HB1 ARG 10 109.188 8.190 10.098 87 HG2 ARG 10 HG2 ARG 10 107.011 7.490 10.994 88 HG3 ARG 10 HG1 ARG 10 107.470 8.085 12.591 89 HD2 ARG 10 HD2 ARG 10 107.675 10.364 11.682 90 HD3 ARG 10 HD1 ARG 10 107.226 9.766 10.087 91 HE ARG 10 HE ARG 10 105.008 9.578 10.817 92 HH11 ARG 10 HH11 ARG 10 103.361 10.057 12.308 93 HH12 ARG 10 HH12 ARG 10 103.772 10.512 13.928 94 HH21 ARG 10 HH21 ARG 10 107.192 10.267 13.412 95 HH22 ARG 10 HH22 ARG 10 105.941 10.631 14.553 96 H TYR 11 HN TYR 11 109.433 5.841 9.275 97 HA TYR 11 HA TYR 11 106.932 4.621 9.298 98 HB2 TYR 11 HB2 TYR 11 108.199 4.975 7.236 99 HB3 TYR 11 HB1 TYR 11 109.405 3.806 7.762 100 HD1 TYR 11 HD1 TYR 11 105.949 4.251 6.573 101 HD2 TYR 11 HD2 TYR 11 108.956 1.409 7.726 102 HE1 TYR 11 HE1 TYR 11 104.585 2.417 5.614 103 HE2 TYR 11 HE2 TYR 11 107.593 -0.423 6.760 104 HH TYR 11 HH TYR 11 105.613 -0.370 4.732 105 H VAL 12 HN VAL 12 110.103 3.139 9.986 106 HA VAL 12 HA VAL 12 109.119 0.523 10.473 107 HB VAL 12 HB VAL 12 111.578 2.004 11.395 108 HG11 VAL 12 HG11 VAL 12 111.470 0.478 13.134 109 HG12 VAL 12 HG12 VAL 12 112.254 -0.518 11.908 110 HG13 VAL 12 HG13 VAL 12 110.525 -0.680 12.196 111 HG21 VAL 12 HG21 VAL 12 112.539 1.101 9.549 112 HG22 VAL 12 HG22 VAL 12 110.884 0.841 8.996 113 HG23 VAL 12 HG23 VAL 12 111.757 -0.459 9.804 114 H GLU 13 HN GLU 13 109.977 3.081 12.829 115 HA GLU 13 HA GLU 13 109.009 1.605 15.065 116 HB2 GLU 13 HB2 GLU 13 109.631 4.534 14.681 117 HB3 GLU 13 HB1 GLU 13 109.170 3.833 16.232 118 HG2 GLU 13 HG2 GLU 13 111.081 2.305 16.141 119 HG3 GLU 13 HG1 GLU 13 111.524 2.924 14.550 120 H GLN 14 HN GLN 14 107.632 4.231 13.167 121 HA GLN 14 HA GLN 14 105.249 4.490 14.677 122 HB2 GLN 14 HB2 GLN 14 106.172 6.233 13.116 123 HB3 GLN 14 HB1 GLN 14 105.658 5.222 11.766 124 HG2 GLN 14 HG2 GLN 14 103.948 6.921 12.234 125 HG3 GLN 14 HG1 GLN 14 103.319 5.314 12.623 126 HE21 GLN 14 HE21 GLN 14 101.847 6.028 14.298 127 HE22 GLN 14 HE22 GLN 14 102.398 6.697 15.758 128 H LEU 15 HN LEU 15 105.392 3.461 11.291 129 HA LEU 15 HA LEU 15 102.992 2.293 10.987 130 HB2 LEU 15 HB2 LEU 15 105.170 2.233 9.460 131 HB3 LEU 15 HB1 LEU 15 105.300 0.602 10.108 132 HG LEU 15 HG LEU 15 104.055 0.531 8.016 133 HD11 LEU 15 HD11 LEU 15 101.975 0.345 10.182 134 HD12 LEU 15 HD12 LEU 15 103.311 -0.802 10.105 135 HD13 LEU 15 HD13 LEU 15 102.173 -0.679 8.764 136 HD21 LEU 15 HD21 LEU 15 103.174 3.058 8.763 137 HD22 LEU 15 HD22 LEU 15 101.735 2.064 8.961 138 HD23 LEU 15 HD23 LEU 15 102.556 2.123 7.402 139 H LYS 16 HN LYS 16 105.765 0.667 12.544 140 HA LYS 16 HA LYS 16 104.408 -1.735 13.159 141 HB2 LYS 16 HB2 LYS 16 106.790 -0.344 14.366 142 HB3 LYS 16 HB1 LYS 16 106.177 -1.855 15.029 143 HG2 LYS 16 HG2 LYS 16 106.391 -2.903 12.789 144 HG3 LYS 16 HG1 LYS 16 107.082 -1.405 12.167 145 HD2 LYS 16 HD2 LYS 16 108.969 -1.577 13.680 146 HD3 LYS 16 HD1 LYS 16 108.256 -2.973 14.484 147 HE2 LYS 16 HE2 LYS 16 108.264 -3.963 12.013 148 HE3 LYS 16 HE1 LYS 16 109.562 -2.786 11.804 149 HZ1 LYS 16 HZ1 LYS 16 109.448 -5.144 13.531 150 HZ2 LYS 16 HZ2 LYS 16 110.350 -3.805 14.062 151 HZ3 LYS 16 HZ3 LYS 16 110.729 -4.559 12.587 152 H GLN 17 HN GLN 17 104.692 1.312 14.916 153 HA GLN 17 HA GLN 17 103.348 0.434 17.275 154 HB2 GLN 17 HB2 GLN 17 103.940 3.134 16.073 155 HB3 GLN 17 HB1 GLN 17 102.919 2.993 17.501 156 HG2 GLN 17 HG2 GLN 17 105.601 1.625 17.370 157 HG3 GLN 17 HG1 GLN 17 105.467 3.315 17.857 158 HE21 GLN 17 HE21 GLN 17 106.171 0.839 19.502 159 HE22 GLN 17 HE22 GLN 17 105.069 0.866 20.793 160 H ALA 18 HN ALA 18 102.207 2.499 14.591 161 HA ALA 18 HA ALA 18 99.524 2.606 15.206 162 HB1 ALA 18 HB1 ALA 18 100.761 3.775 13.297 163 HB2 ALA 18 HB2 ALA 18 99.127 3.211 12.946 164 HB3 ALA 18 HB3 ALA 18 100.518 2.291 12.375 165 H LEU 19 HN LEU 19 101.360 -0.063 14.363 166 HA LEU 19 HA LEU 19 99.123 -1.671 13.335 167 HB2 LEU 19 HB2 LEU 19 102.034 -1.935 13.414 168 HB3 LEU 19 HB1 LEU 19 101.209 -3.435 13.835 169 HG LEU 19 HG LEU 19 100.474 -1.779 11.410 170 HD11 LEU 19 HD11 LEU 19 101.872 -3.154 10.067 171 HD12 LEU 19 HD12 LEU 19 102.160 -4.287 11.386 172 HD13 LEU 19 HD13 LEU 19 102.887 -2.682 11.427 173 HD21 LEU 19 HD21 LEU 19 99.224 -3.927 12.718 174 HD22 LEU 19 HD22 LEU 19 100.029 -4.655 11.328 175 HD23 LEU 19 HD23 LEU 19 98.876 -3.343 11.091 176 H LYS 20 HN LYS 20 101.257 -1.634 16.176 177 HA LYS 20 HA LYS 20 100.273 -3.762 17.590 178 HB2 LYS 20 HB2 LYS 20 101.097 -1.037 18.590 179 HB3 LYS 20 HB1 LYS 20 100.742 -2.386 19.669 180 HG2 LYS 20 HG2 LYS 20 102.472 -3.740 18.495 181 HG3 LYS 20 HG1 LYS 20 102.855 -2.339 17.495 182 HD2 LYS 20 HD2 LYS 20 103.476 -1.053 19.488 183 HD3 LYS 20 HD1 LYS 20 103.040 -2.414 20.521 184 HE2 LYS 20 HE2 LYS 20 104.764 -3.800 19.422 185 HE3 LYS 20 HE1 LYS 20 105.207 -2.432 18.401 186 HZ1 LYS 20 HZ1 LYS 20 105.154 -1.866 21.233 187 HZ2 LYS 20 HZ2 LYS 20 106.308 -1.443 20.061 188 HZ3 LYS 20 HZ3 LYS 20 106.338 -2.988 20.766 189 H THR 21 HN THR 21 98.768 -0.632 17.112 190 HA THR 21 HA THR 21 96.723 -0.795 19.024 191 HB THR 21 HB THR 21 97.372 1.152 17.451 192 HG1 THR 21 HG1 THR 21 95.563 2.024 18.102 193 HG21 THR 21 HG21 THR 21 96.377 1.279 15.346 194 HG22 THR 21 HG22 THR 21 95.153 0.072 15.742 195 HG23 THR 21 HG23 THR 21 96.816 -0.425 15.440 196 H ARG 22 HN ARG 22 97.031 -2.265 15.846 197 HA ARG 22 HA ARG 22 94.320 -3.162 15.697 198 HB2 ARG 22 HB2 ARG 22 96.816 -3.834 14.163 199 HB3 ARG 22 HB1 ARG 22 95.308 -4.707 13.896 200 HG2 ARG 22 HG2 ARG 22 94.157 -2.573 13.417 201 HG3 ARG 22 HG1 ARG 22 95.667 -1.697 13.669 202 HD2 ARG 22 HD2 ARG 22 96.708 -2.986 11.843 203 HD3 ARG 22 HD1 ARG 22 95.182 -3.819 11.566 204 HE ARG 22 HE ARG 22 95.803 -1.047 10.886 205 HH11 ARG 22 HH11 ARG 22 94.254 -0.036 9.573 206 HH12 ARG 22 HH12 ARG 22 92.720 -0.794 9.312 207 HH21 ARG 22 HH21 ARG 22 93.450 -3.554 11.280 208 HH22 ARG 22 HH22 ARG 22 92.265 -2.786 10.277 209 H GLY 23 HN GLY 23 97.029 -4.170 17.459 210 HA2 GLY 23 HA2 GLY 23 96.707 -5.839 19.216 211 HA3 GLY 23 HA1 GLY 23 95.702 -6.741 18.085 212 H VAL 24 HN VAL 24 98.723 -5.233 17.118 213 HA VAL 24 HA VAL 24 99.835 -7.926 16.665 214 HB VAL 24 HB VAL 24 100.626 -5.314 15.367 215 HG11 VAL 24 HG11 VAL 24 101.524 -7.106 13.671 216 HG12 VAL 24 HG12 VAL 24 101.473 -8.184 15.066 217 HG13 VAL 24 HG13 VAL 24 102.465 -6.726 15.112 218 HG21 VAL 24 HG21 VAL 24 99.450 -6.407 13.366 219 HG22 VAL 24 HG22 VAL 24 98.393 -5.802 14.643 220 HG23 VAL 24 HG23 VAL 24 98.738 -7.528 14.526 221 H LYS 25 HN LYS 25 102.274 -8.040 16.795 222 HA LYS 25 HA LYS 25 103.374 -6.200 18.806 223 HB2 LYS 25 HB2 LYS 25 103.432 -9.221 18.919 224 HB3 LYS 25 HB1 LYS 25 104.473 -8.188 19.900 225 HG2 LYS 25 HG2 LYS 25 102.483 -7.091 20.861 226 HG3 LYS 25 HG1 LYS 25 101.441 -8.131 19.888 227 HD2 LYS 25 HD2 LYS 25 102.424 -10.122 20.998 228 HD3 LYS 25 HD1 LYS 25 103.410 -9.056 22.001 229 HE2 LYS 25 HE2 LYS 25 101.373 -8.024 22.925 230 HE3 LYS 25 HE1 LYS 25 100.379 -9.072 21.913 231 HZ1 LYS 25 HZ1 LYS 25 101.143 -10.977 23.052 232 HZ2 LYS 25 HZ2 LYS 25 100.719 -9.848 24.249 233 HZ3 LYS 25 HZ3 LYS 25 102.354 -10.109 23.865 234 H VAL 26 HN VAL 26 105.559 -5.770 18.591 235 HA VAL 26 HA VAL 26 106.903 -7.030 16.273 236 HB VAL 26 HB VAL 26 107.869 -4.933 15.690 237 HG11 VAL 26 HG11 VAL 26 105.978 -4.162 14.731 238 HG12 VAL 26 HG12 VAL 26 105.287 -3.723 16.293 239 HG13 VAL 26 HG13 VAL 26 105.109 -5.366 15.679 240 HG21 VAL 26 HG21 VAL 26 106.855 -4.113 18.405 241 HG22 VAL 26 HG22 VAL 26 107.134 -2.894 17.162 242 HG23 VAL 26 HG23 VAL 26 108.466 -3.906 17.714 243 H LYS 27 HN LYS 27 108.719 -8.035 16.767 244 HA LYS 27 HA LYS 27 110.087 -7.335 19.281 245 HB2 LYS 27 HB2 LYS 27 109.127 -9.704 18.948 246 HB3 LYS 27 HB1 LYS 27 110.435 -9.924 17.788 247 HG2 LYS 27 HG2 LYS 27 111.429 -8.760 20.277 248 HG3 LYS 27 HG1 LYS 27 110.588 -10.276 20.578 249 HD2 LYS 27 HD2 LYS 27 112.037 -11.202 18.602 250 HD3 LYS 27 HD1 LYS 27 113.008 -9.763 18.880 251 HE2 LYS 27 HE2 LYS 27 113.243 -10.386 21.258 252 HE3 LYS 27 HE1 LYS 27 112.355 -11.876 20.927 253 HZ1 LYS 27 HZ1 LYS 27 114.260 -11.799 18.989 254 HZ2 LYS 27 HZ2 LYS 27 114.320 -12.736 20.406 255 HZ3 LYS 27 HZ3 LYS 27 115.081 -11.218 20.355 256 H TYR 28 HN TYR 28 112.515 -7.769 19.221 257 HA TYR 28 HA TYR 28 113.787 -6.131 17.382 258 HB2 TYR 28 HB2 TYR 28 114.930 -8.504 18.886 259 HB3 TYR 28 HB1 TYR 28 115.883 -7.239 18.115 260 HD1 TYR 28 HD1 TYR 28 115.741 -4.890 18.928 261 HD2 TYR 28 HD2 TYR 28 113.811 -8.126 20.989 262 HE1 TYR 28 HE1 TYR 28 115.499 -3.463 20.942 263 HE2 TYR 28 HE2 TYR 28 113.569 -6.700 23.002 264 HH TYR 28 HH TYR 28 114.020 -3.352 22.948 265 H ALA 29 HN ALA 29 113.271 -9.623 17.254 266 HA ALA 29 HA ALA 29 114.723 -10.140 14.906 267 HB1 ALA 29 HB1 ALA 29 112.365 -11.647 16.053 268 HB2 ALA 29 HB2 ALA 29 114.066 -11.942 16.418 269 HB3 ALA 29 HB3 ALA 29 113.448 -12.238 14.793 270 H ASP 30 HN ASP 30 111.804 -8.557 15.466 271 HA ASP 30 HA ASP 30 110.438 -9.147 13.005 272 HB2 ASP 30 HB2 ASP 30 109.455 -8.158 15.183 273 HB3 ASP 30 HB1 ASP 30 110.026 -6.611 14.566 274 H LEU 31 HN LEU 31 112.485 -6.468 14.092 275 HA LEU 31 HA LEU 31 112.337 -4.994 11.653 276 HB2 LEU 31 HB2 LEU 31 114.301 -5.066 13.949 277 HB3 LEU 31 HB1 LEU 31 114.587 -4.051 12.537 278 HG LEU 31 HG LEU 31 112.105 -3.255 12.985 279 HD11 LEU 31 HD11 LEU 31 111.585 -3.253 15.410 280 HD12 LEU 31 HD12 LEU 31 113.020 -4.231 15.716 281 HD13 LEU 31 HD13 LEU 31 111.680 -4.899 14.785 282 HD21 LEU 31 HD21 LEU 31 113.013 -1.488 14.505 283 HD22 LEU 31 HD22 LEU 31 114.031 -1.772 13.094 284 HD23 LEU 31 HD23 LEU 31 114.495 -2.431 14.662 285 H LEU 32 HN LEU 32 114.578 -7.493 12.830 286 HA LEU 32 HA LEU 32 116.436 -7.317 10.727 287 HB2 LEU 32 HB2 LEU 32 115.544 -9.853 12.095 288 HB3 LEU 32 HB1 LEU 32 117.114 -9.536 11.349 289 HG LEU 32 HG LEU 32 115.980 -8.068 13.758 290 HD11 LEU 32 HD11 LEU 32 118.523 -9.545 13.972 291 HD12 LEU 32 HD12 LEU 32 117.111 -10.570 13.710 292 HD13 LEU 32 HD13 LEU 32 117.162 -9.475 15.093 293 HD21 LEU 32 HD21 LEU 32 118.552 -7.362 13.729 294 HD22 LEU 32 HD22 LEU 32 117.354 -6.468 12.794 295 HD23 LEU 32 HD23 LEU 32 118.375 -7.669 12.002 296 H LYS 33 HN LYS 33 113.593 -9.436 11.010 297 HA LYS 33 HA LYS 33 113.872 -10.497 8.370 298 HB2 LYS 33 HB2 LYS 33 112.752 -11.740 10.186 299 HB3 LYS 33 HB1 LYS 33 111.464 -10.536 10.197 300 HG2 LYS 33 HG2 LYS 33 110.907 -11.073 7.862 301 HG3 LYS 33 HG1 LYS 33 112.228 -12.240 7.806 302 HD2 LYS 33 HD2 LYS 33 111.155 -13.549 9.597 303 HD3 LYS 33 HD1 LYS 33 109.834 -12.382 9.661 304 HE2 LYS 33 HE2 LYS 33 109.267 -12.878 7.317 305 HE3 LYS 33 HE1 LYS 33 110.597 -14.033 7.233 306 HZ1 LYS 33 HZ1 LYS 33 109.496 -15.174 9.169 307 HZ2 LYS 33 HZ2 LYS 33 108.682 -15.282 7.682 308 HZ3 LYS 33 HZ3 LYS 33 108.141 -14.199 8.875 309 H PHE 34 HN PHE 34 111.512 -8.246 9.825 310 HA PHE 34 HA PHE 34 110.064 -7.707 7.499 311 HB2 PHE 34 HB2 PHE 34 109.323 -7.067 9.764 312 HB3 PHE 34 HB1 PHE 34 110.605 -5.857 9.832 313 HD1 PHE 34 HD1 PHE 34 110.161 -3.680 9.110 314 HD2 PHE 34 HD2 PHE 34 107.746 -6.921 7.653 315 HE1 PHE 34 HE1 PHE 34 108.710 -2.064 7.923 316 HE2 PHE 34 HE2 PHE 34 106.293 -5.301 6.463 317 HZ PHE 34 HZ PHE 34 106.774 -2.872 6.596 318 H PHE 35 HN PHE 35 112.939 -6.105 8.799 319 HA PHE 35 HA PHE 35 112.981 -4.010 6.838 320 HB2 PHE 35 HB2 PHE 35 114.100 -4.064 9.150 321 HB3 PHE 35 HB1 PHE 35 115.391 -4.985 8.375 322 HD1 PHE 35 HD1 PHE 35 116.327 -3.929 6.136 323 HD2 PHE 35 HD2 PHE 35 114.106 -1.764 9.115 324 HE1 PHE 35 HE1 PHE 35 117.226 -1.795 5.252 325 HE2 PHE 35 HE2 PHE 35 115.008 0.372 8.225 326 HZ PHE 35 HZ PHE 35 116.567 0.357 6.298 327 H ASP 36 HN ASP 36 114.637 -7.140 7.201 328 HA ASP 36 HA ASP 36 116.203 -6.847 4.805 329 HB2 ASP 36 HB2 ASP 36 115.544 -9.246 6.519 330 HB3 ASP 36 HB1 ASP 36 116.612 -9.318 5.118 331 H PHE 37 HN PHE 37 113.002 -7.885 5.502 332 HA PHE 37 HA PHE 37 112.543 -9.571 3.271 333 HB2 PHE 37 HB2 PHE 37 110.955 -8.345 5.378 334 HB3 PHE 37 HB1 PHE 37 110.106 -8.343 3.837 335 HD1 PHE 37 HD1 PHE 37 108.609 -10.126 3.765 336 HD2 PHE 37 HD2 PHE 37 112.537 -10.750 5.387 337 HE1 PHE 37 HE1 PHE 37 108.124 -12.546 4.007 338 HE2 PHE 37 HE2 PHE 37 112.054 -13.171 5.626 339 HZ PHE 37 HZ PHE 37 109.846 -14.068 4.937 340 H VAL 38 HN VAL 38 111.529 -6.193 3.800 341 HA VAL 38 HA VAL 38 110.728 -5.799 1.092 342 HB VAL 38 HB VAL 38 110.989 -3.310 1.774 343 HG11 VAL 38 HG11 VAL 38 108.922 -3.459 3.141 344 HG12 VAL 38 HG12 VAL 38 109.175 -5.197 3.313 345 HG13 VAL 38 HG13 VAL 38 108.841 -4.507 1.725 346 HG21 VAL 38 HG21 VAL 38 111.622 -2.813 3.914 347 HG22 VAL 38 HG22 VAL 38 112.493 -4.338 3.776 348 HG23 VAL 38 HG23 VAL 38 110.921 -4.289 4.568 349 H LYS 39 HN LYS 39 113.733 -5.149 2.831 350 HA LYS 39 HA LYS 39 115.056 -3.681 0.815 351 HB2 LYS 39 HB2 LYS 39 115.843 -3.898 3.163 352 HB3 LYS 39 HB1 LYS 39 116.290 -5.572 2.833 353 HG2 LYS 39 HG2 LYS 39 117.840 -4.834 1.078 354 HG3 LYS 39 HG1 LYS 39 117.371 -3.155 1.351 355 HD2 LYS 39 HD2 LYS 39 118.193 -3.310 3.679 356 HD3 LYS 39 HD1 LYS 39 118.681 -4.981 3.388 357 HE2 LYS 39 HE2 LYS 39 120.213 -4.231 1.606 358 HE3 LYS 39 HE1 LYS 39 119.725 -2.560 1.888 359 HZ1 LYS 39 HZ1 LYS 39 121.436 -2.548 3.305 360 HZ2 LYS 39 HZ2 LYS 39 121.508 -4.242 3.410 361 HZ3 LYS 39 HZ3 LYS 39 120.395 -3.376 4.357 362 H ASP 40 HN ASP 40 114.380 -7.081 1.126 363 HA ASP 40 HA ASP 40 116.389 -8.204 -0.433 364 HB2 ASP 40 HB2 ASP 40 114.686 -9.502 0.802 365 HB3 ASP 40 HB1 ASP 40 113.470 -8.994 -0.368 366 H THR 41 HN THR 41 113.169 -7.120 -1.559 367 HA THR 41 HA THR 41 114.309 -6.891 -4.283 368 HB THR 41 HB THR 41 111.843 -7.048 -4.972 369 HG1 THR 41 HG1 THR 41 110.891 -8.471 -3.121 370 HG21 THR 41 HG21 THR 41 113.134 -9.433 -3.614 371 HG22 THR 41 HG22 THR 41 113.500 -8.874 -5.247 372 HG23 THR 41 HG23 THR 41 111.895 -9.498 -4.867 373 H CYS 42 HN CYS 42 113.312 -5.114 -1.652 374 HA CYS 42 HA CYS 42 112.557 -2.950 -1.330 375 HB2 CYS 42 HB2 CYS 42 113.901 -2.144 -3.863 376 HB3 CYS 42 HB1 CYS 42 113.986 -1.416 -2.260 377 HG CYS 42 HG CYS 42 116.109 -2.654 -2.041 378 HA PRO 43 HA PRO 43 109.385 -3.506 -4.782 379 HB2 PRO 43 HB2 PRO 43 107.512 -3.958 -2.549 380 HB3 PRO 43 HB1 PRO 43 107.764 -4.914 -4.021 381 HG2 PRO 43 HG2 PRO 43 108.542 -5.776 -1.627 382 HG3 PRO 43 HG1 PRO 43 109.460 -6.140 -3.097 383 HD2 PRO 43 HD2 PRO 43 110.033 -4.101 -0.965 384 HD3 PRO 43 HD1 PRO 43 111.137 -5.179 -1.840 385 H TRP 44 HN TRP 44 109.051 -2.006 -1.593 386 HA TRP 44 HA TRP 44 107.195 -0.009 -2.539 387 HB2 TRP 44 HB2 TRP 44 108.419 -0.753 0.060 388 HB3 TRP 44 HB1 TRP 44 107.960 0.937 -0.131 389 HD1 TRP 44 HD1 TRP 44 105.341 0.979 -1.541 390 HE1 TRP 44 HE1 TRP 44 103.219 -0.181 -0.647 391 HE3 TRP 44 HE3 TRP 44 107.467 -2.451 1.588 392 HZ2 TRP 44 HZ2 TRP 44 102.520 -2.294 1.152 393 HZ3 TRP 44 HZ3 TRP 44 106.051 -4.027 2.873 394 HH2 TRP 44 HH2 TRP 44 103.582 -3.949 2.665 395 H PHE 45 HN PHE 45 110.211 -0.363 -3.371 396 HA PHE 45 HA PHE 45 112.026 1.013 -3.813 397 HB2 PHE 45 HB2 PHE 45 110.015 3.170 -4.322 398 HB3 PHE 45 HB1 PHE 45 111.475 2.772 -5.226 399 HD1 PHE 45 HD1 PHE 45 111.334 -0.047 -5.743 400 HD2 PHE 45 HD2 PHE 45 108.142 2.828 -5.673 401 HE1 PHE 45 HE1 PHE 45 110.007 -1.483 -7.263 402 HE2 PHE 45 HE2 PHE 45 106.815 1.389 -7.191 403 HZ PHE 45 HZ PHE 45 107.752 -0.764 -7.988 404 HA PRO 46 HA PRO 46 111.288 3.106 0.442 405 HB2 PRO 46 HB2 PRO 46 113.711 1.929 1.323 406 HB3 PRO 46 HB1 PRO 46 112.068 1.443 1.776 407 HG2 PRO 46 HG2 PRO 46 113.880 0.299 -0.272 408 HG3 PRO 46 HG1 PRO 46 112.685 -0.498 0.765 409 HD2 PRO 46 HD2 PRO 46 112.162 -0.100 -1.838 410 HD3 PRO 46 HD1 PRO 46 110.887 0.104 -0.617 411 H GLN 47 HN GLN 47 113.362 3.126 -2.193 412 HA GLN 47 HA GLN 47 115.596 4.596 -1.379 413 HB2 GLN 47 HB2 GLN 47 114.038 4.624 -3.970 414 HB3 GLN 47 HB1 GLN 47 115.555 5.498 -3.753 415 HG2 GLN 47 HG2 GLN 47 116.671 3.374 -3.123 416 HG3 GLN 47 HG1 GLN 47 115.156 2.514 -3.395 417 HE21 GLN 47 HE21 GLN 47 117.110 1.563 -4.973 418 HE22 GLN 47 HE22 GLN 47 117.012 2.164 -6.557 419 H GLU 48 HN GLU 48 112.498 5.834 -2.662 420 HA GLU 48 HA GLU 48 113.204 8.525 -1.685 421 HB2 GLU 48 HB2 GLU 48 112.253 8.317 -3.950 422 HB3 GLU 48 HB1 GLU 48 110.798 7.592 -3.273 423 HG2 GLU 48 HG2 GLU 48 110.392 9.958 -3.632 424 HG3 GLU 48 HG1 GLU 48 110.454 9.663 -1.910 425 H GLY 49 HN GLY 49 111.116 5.826 -0.968 426 HA2 GLY 49 HA2 GLY 49 110.120 5.414 1.131 427 HA3 GLY 49 HA1 GLY 49 110.299 7.121 1.529 428 H THR 50 HN THR 50 108.443 4.816 -0.397 429 HA THR 50 HA THR 50 106.095 6.540 -0.110 430 HB THR 50 HB THR 50 107.311 6.934 -2.362 431 HG1 THR 50 HG1 THR 50 104.637 6.442 -1.813 432 HG21 THR 50 HG21 THR 50 105.900 4.339 -3.048 433 HG22 THR 50 HG22 THR 50 107.636 4.442 -2.736 434 HG23 THR 50 HG23 THR 50 106.920 5.322 -4.086 435 H ILE 51 HN ILE 51 104.075 5.350 -0.810 436 HA ILE 51 HA ILE 51 104.343 2.485 -0.120 437 HB ILE 51 HB ILE 51 101.734 3.902 0.025 438 HG12 ILE 51 HG12 ILE 51 104.070 4.277 1.905 439 HG13 ILE 51 HG11 ILE 51 103.068 5.517 1.148 440 HG21 ILE 51 HG21 ILE 51 103.052 1.932 1.902 441 HG22 ILE 51 HG22 ILE 51 102.154 1.424 0.472 442 HG23 ILE 51 HG23 ILE 51 101.336 2.302 1.760 443 HD11 ILE 51 HD11 ILE 51 101.113 4.473 2.433 444 HD12 ILE 51 HD12 ILE 51 102.279 5.409 3.365 445 HD13 ILE 51 HD13 ILE 51 102.341 3.646 3.388 446 H ASP 52 HN ASP 52 103.447 0.941 -1.474 447 HA ASP 52 HA ASP 52 101.852 1.863 -3.764 448 HB2 ASP 52 HB2 ASP 52 104.278 1.685 -4.429 449 HB3 ASP 52 HB1 ASP 52 104.193 -0.027 -4.026 450 H ILE 53 HN ILE 53 100.085 0.701 -3.856 451 HA ILE 53 HA ILE 53 99.742 -1.715 -2.333 452 HB ILE 53 HB ILE 53 97.872 -0.559 -4.407 453 HG12 ILE 53 HG12 ILE 53 98.420 1.171 -2.778 454 HG13 ILE 53 HG11 ILE 53 96.798 0.571 -2.433 455 HG21 ILE 53 HG21 ILE 53 97.452 -2.911 -3.585 456 HG22 ILE 53 HG22 ILE 53 96.156 -1.784 -3.196 457 HG23 ILE 53 HG23 ILE 53 97.312 -2.262 -1.954 458 HD11 ILE 53 HD11 ILE 53 99.362 0.125 -0.916 459 HD12 ILE 53 HD12 ILE 53 98.097 -1.098 -0.819 460 HD13 ILE 53 HD13 ILE 53 97.767 0.549 -0.292 461 H LYS 54 HN LYS 54 100.102 -0.949 -5.758 462 HA LYS 54 HA LYS 54 99.500 -3.516 -6.768 463 HB2 LYS 54 HB2 LYS 54 101.247 -1.309 -7.893 464 HB3 LYS 54 HB1 LYS 54 100.744 -2.741 -8.788 465 HG2 LYS 54 HG2 LYS 54 98.387 -2.146 -8.481 466 HG3 LYS 54 HG1 LYS 54 98.849 -0.738 -7.524 467 HD2 LYS 54 HD2 LYS 54 100.040 0.204 -9.460 468 HD3 LYS 54 HD1 LYS 54 99.606 -1.210 -10.423 469 HE2 LYS 54 HE2 LYS 54 97.222 -0.685 -10.153 470 HE3 LYS 54 HE1 LYS 54 97.629 0.707 -9.151 471 HZ1 LYS 54 HZ1 LYS 54 98.600 0.365 -11.930 472 HZ2 LYS 54 HZ2 LYS 54 98.683 1.762 -10.967 473 HZ3 LYS 54 HZ3 LYS 54 97.181 1.211 -11.541 474 H ARG 55 HN ARG 55 102.679 -1.986 -6.247 475 HA ARG 55 HA ARG 55 104.204 -4.269 -6.858 476 HB2 ARG 55 HB2 ARG 55 104.944 -1.997 -4.991 477 HB3 ARG 55 HB1 ARG 55 106.057 -3.102 -5.788 478 HG2 ARG 55 HG2 ARG 55 104.127 -1.387 -7.356 479 HG3 ARG 55 HG1 ARG 55 105.718 -0.797 -6.884 480 HD2 ARG 55 HD2 ARG 55 106.704 -2.839 -8.011 481 HD3 ARG 55 HD1 ARG 55 105.096 -3.199 -8.626 482 HE ARG 55 HE ARG 55 106.836 -1.038 -9.493 483 HH11 ARG 55 HH11 ARG 55 106.121 0.048 -11.353 484 HH12 ARG 55 HH12 ARG 55 104.509 -0.206 -11.931 485 HH21 ARG 55 HH21 ARG 55 103.676 -2.446 -9.417 486 HH22 ARG 55 HH22 ARG 55 103.125 -1.619 -10.836 487 H TRP 56 HN TRP 56 102.698 -3.178 -3.885 488 HA TRP 56 HA TRP 56 104.015 -4.837 -2.093 489 HB2 TRP 56 HB2 TRP 56 102.600 -3.144 -1.213 490 HB3 TRP 56 HB1 TRP 56 101.204 -3.765 -2.094 491 HD1 TRP 56 HD1 TRP 56 99.612 -4.922 -0.514 492 HE1 TRP 56 HE1 TRP 56 99.822 -6.473 1.534 493 HE3 TRP 56 HE3 TRP 56 104.699 -5.107 -0.055 494 HZ2 TRP 56 HZ2 TRP 56 101.877 -7.640 3.147 495 HZ3 TRP 56 HZ3 TRP 56 105.751 -6.450 1.729 496 HH2 TRP 56 HH2 TRP 56 104.351 -7.716 3.334 497 H ARG 57 HN ARG 57 101.208 -5.462 -4.132 498 HA ARG 57 HA ARG 57 100.612 -8.034 -3.121 499 HB2 ARG 57 HB2 ARG 57 100.043 -6.752 -5.807 500 HB3 ARG 57 HB1 ARG 57 99.441 -8.340 -5.339 501 HG2 ARG 57 HG2 ARG 57 98.446 -7.232 -3.274 502 HG3 ARG 57 HG1 ARG 57 98.832 -5.683 -4.023 503 HD2 ARG 57 HD2 ARG 57 97.091 -7.847 -5.227 504 HD3 ARG 57 HD1 ARG 57 96.516 -6.341 -4.523 505 HE ARG 57 HE ARG 57 97.871 -6.654 -7.097 506 HH11 ARG 57 HH11 ARG 57 97.781 -4.821 -8.430 507 HH12 ARG 57 HH12 ARG 57 97.210 -3.318 -7.786 508 HH21 ARG 57 HH21 ARG 57 96.633 -4.587 -4.612 509 HH22 ARG 57 HH22 ARG 57 96.562 -3.186 -5.627 510 H ARG 58 HN ARG 58 102.752 -6.908 -5.704 511 HA ARG 58 HA ARG 58 103.357 -9.405 -6.844 512 HB2 ARG 58 HB2 ARG 58 104.947 -6.855 -6.599 513 HB3 ARG 58 HB1 ARG 58 105.554 -8.263 -7.473 514 HG2 ARG 58 HG2 ARG 58 103.521 -8.229 -8.896 515 HG3 ARG 58 HG1 ARG 58 102.958 -6.796 -8.037 516 HD2 ARG 58 HD2 ARG 58 104.982 -5.573 -8.751 517 HD3 ARG 58 HD1 ARG 58 105.538 -7.005 -9.615 518 HE ARG 58 HE ARG 58 102.908 -6.180 -10.439 519 HH11 ARG 58 HH11 ARG 58 102.743 -5.305 -12.529 520 HH12 ARG 58 HH12 ARG 58 104.169 -4.778 -13.357 521 HH21 ARG 58 HH21 ARG 58 106.309 -5.628 -10.764 522 HH22 ARG 58 HH22 ARG 58 106.189 -4.961 -12.358 523 H VAL 59 HN VAL 59 105.035 -7.635 -4.248 524 HA VAL 59 HA VAL 59 106.950 -9.720 -3.766 525 HB VAL 59 HB VAL 59 107.492 -7.455 -3.118 526 HG11 VAL 59 HG11 VAL 59 106.218 -6.284 -1.366 527 HG12 VAL 59 HG12 VAL 59 105.096 -7.642 -1.263 528 HG13 VAL 59 HG13 VAL 59 105.186 -6.680 -2.738 529 HG21 VAL 59 HG21 VAL 59 108.539 -8.048 -1.175 530 HG22 VAL 59 HG22 VAL 59 107.871 -9.638 -1.537 531 HG23 VAL 59 HG23 VAL 59 107.037 -8.568 -0.410 532 H GLY 60 HN GLY 60 103.791 -8.893 -2.431 533 HA2 GLY 60 HA2 GLY 60 103.851 -10.621 -0.195 534 HA3 GLY 60 HA1 GLY 60 102.397 -10.013 -0.982 535 H ASP 61 HN ASP 61 102.673 -11.091 -3.516 536 HA ASP 61 HA ASP 61 101.816 -13.790 -3.066 537 HB2 ASP 61 HB2 ASP 61 100.853 -12.380 -4.850 538 HB3 ASP 61 HB1 ASP 61 102.417 -12.356 -5.663 539 H CYS 62 HN CYS 62 104.698 -12.272 -4.437 540 HA CYS 62 HA CYS 62 105.970 -14.611 -5.365 541 HB2 CYS 62 HB2 CYS 62 107.101 -11.979 -4.400 542 HB3 CYS 62 HB1 CYS 62 108.082 -13.249 -5.131 543 HG CYS 62 HG CYS 62 106.215 -11.368 -6.636 544 H PHE 63 HN PHE 63 105.874 -13.087 -2.185 545 HA PHE 63 HA PHE 63 107.827 -14.915 -1.069 546 HB2 PHE 63 HB2 PHE 63 106.264 -12.577 -0.103 547 HB3 PHE 63 HB1 PHE 63 106.786 -13.755 1.100 548 HD1 PHE 63 HD1 PHE 63 108.906 -13.506 2.031 549 HD2 PHE 63 HD2 PHE 63 108.150 -11.940 -1.897 550 HE1 PHE 63 HE1 PHE 63 111.199 -12.568 1.963 551 HE2 PHE 63 HE2 PHE 63 110.445 -11.004 -1.965 552 HZ PHE 63 HZ PHE 63 111.969 -11.317 -0.035 553 H GLN 64 HN GLN 64 104.318 -14.436 -0.950 554 HA GLN 64 HA GLN 64 103.778 -16.464 0.943 555 HB2 GLN 64 HB2 GLN 64 102.156 -14.695 0.325 556 HB3 GLN 64 HB1 GLN 64 101.991 -15.432 -1.268 557 HG2 GLN 64 HG2 GLN 64 101.133 -17.485 -0.288 558 HG3 GLN 64 HG1 GLN 64 101.421 -16.869 1.339 559 HE21 GLN 64 HE21 GLN 64 98.806 -17.651 0.047 560 HE22 GLN 64 HE22 GLN 64 97.827 -16.270 0.162 561 H ASP 65 HN ASP 65 103.964 -16.485 -2.579 562 HA ASP 65 HA ASP 65 103.091 -19.150 -2.959 563 HB2 ASP 65 HB2 ASP 65 103.158 -17.622 -4.822 564 HB3 ASP 65 HB1 ASP 65 104.891 -17.375 -4.606 565 H TYR 66 HN TYR 66 106.384 -17.763 -2.822 566 HA TYR 66 HA TYR 66 107.736 -20.242 -2.999 567 HB2 TYR 66 HB2 TYR 66 108.864 -18.131 -3.458 568 HB3 TYR 66 HB1 TYR 66 108.644 -17.629 -1.781 569 HD1 TYR 66 HD1 TYR 66 109.949 -20.586 -3.699 570 HD2 TYR 66 HD2 TYR 66 110.431 -17.975 -0.322 571 HE1 TYR 66 HE1 TYR 66 112.035 -21.774 -3.078 572 HE2 TYR 66 HE2 TYR 66 112.516 -19.164 0.300 573 HH TYR 66 HH TYR 66 114.297 -20.584 -1.066 574 H TYR 67 HN TYR 67 106.698 -18.294 -0.233 575 HA TYR 67 HA TYR 67 107.868 -19.934 1.756 576 HB2 TYR 67 HB2 TYR 67 107.183 -17.646 2.254 577 HB3 TYR 67 HB1 TYR 67 105.503 -18.051 1.918 578 HD1 TYR 67 HD1 TYR 67 104.173 -18.402 3.794 579 HD2 TYR 67 HD2 TYR 67 108.332 -19.465 3.953 580 HE1 TYR 67 HE1 TYR 67 103.893 -19.163 6.136 581 HE2 TYR 67 HE2 TYR 67 108.048 -20.226 6.294 582 HH TYR 67 HH TYR 67 106.660 -20.409 8.009 583 H ASN 68 HN ASN 68 104.720 -19.935 0.174 584 HA ASN 68 HA ASN 68 103.439 -21.795 1.844 585 HB2 ASN 68 HB2 ASN 68 103.038 -20.993 -1.024 586 HB3 ASN 68 HB1 ASN 68 102.050 -22.245 -0.274 587 HD21 ASN 68 HD21 ASN 68 103.205 -19.687 1.803 588 HD22 ASN 68 HD22 ASN 68 101.730 -18.858 1.932 589 H THR 69 HN THR 69 105.418 -22.229 -1.060 590 HA THR 69 HA THR 69 105.024 -24.916 -1.586 591 HB THR 69 HB THR 69 107.302 -24.931 -2.534 592 HG1 THR 69 HG1 THR 69 108.471 -23.833 -1.041 593 HG21 THR 69 HG21 THR 69 105.259 -22.942 -3.062 594 HG22 THR 69 HG22 THR 69 106.276 -23.825 -4.201 595 HG23 THR 69 HG23 THR 69 106.857 -22.326 -3.480 596 H PHE 70 HN PHE 70 106.541 -23.495 1.158 597 HA PHE 70 HA PHE 70 107.840 -25.977 1.933 598 HB2 PHE 70 HB2 PHE 70 107.746 -23.195 3.045 599 HB3 PHE 70 HB1 PHE 70 108.250 -24.524 4.086 600 HD1 PHE 70 HD1 PHE 70 109.193 -22.320 1.366 601 HD2 PHE 70 HD2 PHE 70 110.168 -25.997 3.364 602 HE1 PHE 70 HE1 PHE 70 111.444 -22.291 0.325 603 HE2 PHE 70 HE2 PHE 70 112.421 -25.963 2.325 604 HZ PHE 70 HZ PHE 70 113.058 -24.110 0.805 605 H GLY 71 HN GLY 71 104.795 -25.412 1.751 606 HA2 GLY 71 HA2 GLY 71 102.881 -25.805 2.997 607 HA3 GLY 71 HA1 GLY 71 103.779 -27.244 3.470 608 HA PRO 72 HA PRO 72 104.709 -24.229 7.022 609 HB2 PRO 72 HB2 PRO 72 104.066 -21.603 6.808 610 HB3 PRO 72 HB1 PRO 72 105.561 -22.282 6.138 611 HG2 PRO 72 HG2 PRO 72 103.049 -21.516 4.754 612 HG3 PRO 72 HG1 PRO 72 104.729 -21.384 4.215 613 HD2 PRO 72 HD2 PRO 72 102.971 -23.401 3.436 614 HD3 PRO 72 HD1 PRO 72 104.740 -23.480 3.333 615 H GLU 73 HN GLU 73 103.419 -24.475 8.761 616 HA GLU 73 HA GLU 73 100.529 -24.263 8.437 617 HB2 GLU 73 HB2 GLU 73 101.517 -26.226 9.577 618 HB3 GLU 73 HB1 GLU 73 102.162 -25.160 10.825 619 HG2 GLU 73 HG2 GLU 73 99.909 -24.453 11.440 620 HG3 GLU 73 HG1 GLU 73 99.222 -25.412 10.129 621 H LYS 74 HN LYS 74 103.162 -22.487 9.783 622 HA LYS 74 HA LYS 74 101.752 -21.010 11.751 623 HB2 LYS 74 HB2 LYS 74 104.101 -19.909 10.230 624 HB3 LYS 74 HB1 LYS 74 103.675 -19.682 11.928 625 HG2 LYS 74 HG2 LYS 74 104.674 -22.245 10.637 626 HG3 LYS 74 HG1 LYS 74 105.552 -21.249 11.796 627 HD2 LYS 74 HD2 LYS 74 103.679 -21.680 13.445 628 HD3 LYS 74 HD1 LYS 74 103.023 -22.843 12.290 629 HE2 LYS 74 HE2 LYS 74 105.057 -24.159 12.373 630 HE3 LYS 74 HE1 LYS 74 105.825 -22.969 13.426 631 HZ1 LYS 74 HZ1 LYS 74 104.351 -23.464 15.162 632 HZ2 LYS 74 HZ2 LYS 74 104.817 -24.976 14.543 633 HZ3 LYS 74 HZ3 LYS 74 103.297 -24.327 14.151 634 H VAL 75 HN VAL 75 102.571 -20.290 8.370 635 HA VAL 75 HA VAL 75 102.007 -18.310 7.188 636 HB VAL 75 HB VAL 75 99.433 -19.823 7.612 637 HG11 VAL 75 HG11 VAL 75 99.210 -18.861 5.150 638 HG12 VAL 75 HG12 VAL 75 100.304 -17.625 5.768 639 HG13 VAL 75 HG13 VAL 75 98.739 -17.883 6.540 640 HG21 VAL 75 HG21 VAL 75 101.016 -20.139 5.141 641 HG22 VAL 75 HG22 VAL 75 100.222 -21.367 6.129 642 HG23 VAL 75 HG23 VAL 75 101.812 -20.756 6.588 643 HA PRO 76 HA PRO 76 100.537 -15.861 10.861 644 HB2 PRO 76 HB2 PRO 76 102.152 -13.824 9.400 645 HB3 PRO 76 HB1 PRO 76 102.157 -14.238 11.126 646 HG2 PRO 76 HG2 PRO 76 104.148 -14.981 9.538 647 HG3 PRO 76 HG1 PRO 76 103.553 -16.052 10.819 648 HD2 PRO 76 HD2 PRO 76 103.058 -16.178 7.872 649 HD3 PRO 76 HD1 PRO 76 103.314 -17.507 9.025 650 H VAL 77 HN VAL 77 98.591 -14.971 10.759 651 HA VAL 77 HA VAL 77 97.504 -14.061 8.217 652 HB VAL 77 HB VAL 77 96.269 -14.261 10.971 653 HG11 VAL 77 HG11 VAL 77 95.048 -12.554 9.891 654 HG12 VAL 77 HG12 VAL 77 94.124 -14.019 9.559 655 HG13 VAL 77 HG13 VAL 77 95.175 -13.340 8.316 656 HG21 VAL 77 HG21 VAL 77 95.423 -16.333 10.290 657 HG22 VAL 77 HG22 VAL 77 96.929 -16.337 9.368 658 HG23 VAL 77 HG23 VAL 77 95.417 -15.875 8.587 659 H THR 78 HN THR 78 99.054 -12.670 10.909 660 HA THR 78 HA THR 78 97.903 -10.201 11.245 661 HB THR 78 HB THR 78 100.142 -9.380 11.852 662 HG1 THR 78 HG1 THR 78 101.832 -10.246 10.982 663 HG21 THR 78 HG21 THR 78 100.735 -11.245 13.455 664 HG22 THR 78 HG22 THR 78 99.496 -12.223 12.669 665 HG23 THR 78 HG23 THR 78 99.046 -10.740 13.512 666 H ALA 79 HN ALA 79 99.451 -11.435 8.427 667 HA ALA 79 HA ALA 79 100.328 -9.111 7.168 668 HB1 ALA 79 HB1 ALA 79 98.983 -11.402 5.742 669 HB2 ALA 79 HB2 ALA 79 100.606 -11.535 6.419 670 HB3 ALA 79 HB3 ALA 79 100.274 -10.357 5.148 671 H PHE 80 HN PHE 80 97.128 -10.248 7.805 672 HA PHE 80 HA PHE 80 95.757 -8.791 5.765 673 HB2 PHE 80 HB2 PHE 80 94.742 -10.727 6.902 674 HB3 PHE 80 HB1 PHE 80 94.731 -9.828 8.420 675 HD1 PHE 80 HD1 PHE 80 92.829 -8.598 8.983 676 HD2 PHE 80 HD2 PHE 80 93.622 -9.474 4.852 677 HE1 PHE 80 HE1 PHE 80 90.674 -7.549 8.347 678 HE2 PHE 80 HE2 PHE 80 91.467 -8.424 4.216 679 HZ PHE 80 HZ PHE 80 89.993 -7.461 5.964 680 H SER 81 HN SER 81 96.953 -8.022 8.953 681 HA SER 81 HA SER 81 95.396 -5.652 9.332 682 HB2 SER 81 HB2 SER 81 97.947 -6.655 10.601 683 HB3 SER 81 HB1 SER 81 97.164 -5.148 11.071 684 HG SER 81 HG SER 81 95.323 -7.067 10.943 685 H TYR 82 HN TYR 82 98.566 -6.369 7.952 686 HA TYR 82 HA TYR 82 99.512 -3.733 7.694 687 HB2 TYR 82 HB2 TYR 82 100.117 -6.346 6.424 688 HB3 TYR 82 HB1 TYR 82 100.663 -4.904 5.575 689 HD1 TYR 82 HD1 TYR 82 102.331 -3.424 6.532 690 HD2 TYR 82 HD2 TYR 82 100.963 -6.890 8.670 691 HE1 TYR 82 HE1 TYR 82 104.226 -3.196 8.119 692 HE2 TYR 82 HE2 TYR 82 102.853 -6.661 10.256 693 HH TYR 82 HH TYR 82 104.566 -4.003 10.705 694 H TRP 83 HN TRP 83 97.739 -5.786 5.378 695 HA TRP 83 HA TRP 83 97.611 -3.896 3.296 696 HB2 TRP 83 HB2 TRP 83 95.425 -5.887 3.863 697 HB3 TRP 83 HB1 TRP 83 96.001 -5.299 2.302 698 HD1 TRP 83 HD1 TRP 83 99.154 -5.633 3.356 699 HE1 TRP 83 HE1 TRP 83 100.160 -8.000 3.209 700 HE3 TRP 83 HE3 TRP 83 94.871 -8.399 3.067 701 HZ2 TRP 83 HZ2 TRP 83 99.270 -10.710 2.998 702 HZ3 TRP 83 HZ3 TRP 83 94.978 -10.869 2.894 703 HH2 TRP 83 HH2 TRP 83 97.170 -12.026 2.859 704 H ASN 84 HN ASN 84 95.351 -4.544 5.964 705 HA ASN 84 HA ASN 84 93.384 -2.679 5.167 706 HB2 ASN 84 HB2 ASN 84 94.096 -3.968 7.792 707 HB3 ASN 84 HB1 ASN 84 92.816 -2.762 7.693 708 HD21 ASN 84 HD21 ASN 84 91.840 -5.139 8.448 709 HD22 ASN 84 HD22 ASN 84 91.102 -5.970 7.165 710 H LEU 85 HN LEU 85 96.181 -2.354 7.370 711 HA LEU 85 HA LEU 85 95.591 0.286 8.172 712 HB2 LEU 85 HB2 LEU 85 97.079 -1.224 9.432 713 HB3 LEU 85 HB1 LEU 85 98.239 -1.167 8.103 714 HG LEU 85 HG LEU 85 98.381 1.303 8.362 715 HD11 LEU 85 HD11 LEU 85 96.481 2.127 9.376 716 HD12 LEU 85 HD12 LEU 85 97.481 1.949 10.816 717 HD13 LEU 85 HD13 LEU 85 96.291 0.714 10.413 718 HD21 LEU 85 HD21 LEU 85 98.900 -0.057 11.013 719 HD22 LEU 85 HD22 LEU 85 99.822 1.245 10.260 720 HD23 LEU 85 HD23 LEU 85 99.876 -0.383 9.581 721 H ILE 86 HN ILE 86 98.186 -0.901 6.034 722 HA ILE 86 HA ILE 86 98.982 1.569 5.055 723 HB ILE 86 HB ILE 86 99.269 -1.227 4.157 724 HG12 ILE 86 HG12 ILE 86 101.266 1.047 4.138 725 HG13 ILE 86 HG11 ILE 86 100.849 0.192 5.625 726 HG21 ILE 86 HG21 ILE 86 100.430 -0.309 2.046 727 HG22 ILE 86 HG22 ILE 86 99.454 1.137 2.288 728 HG23 ILE 86 HG23 ILE 86 98.668 -0.415 2.016 729 HD11 ILE 86 HD11 ILE 86 101.845 -1.764 4.941 730 HD12 ILE 86 HD12 ILE 86 102.853 -0.613 4.064 731 HD13 ILE 86 HD13 ILE 86 101.539 -1.446 3.235 732 H LYS 87 HN LYS 87 96.368 -0.541 4.004 733 HA LYS 87 HA LYS 87 95.714 0.588 1.565 734 HB2 LYS 87 HB2 LYS 87 94.445 -1.285 2.083 735 HB3 LYS 87 HB1 LYS 87 94.116 -0.725 3.723 736 HG2 LYS 87 HG2 LYS 87 92.520 0.884 2.975 737 HG3 LYS 87 HG1 LYS 87 93.007 0.678 1.286 738 HD2 LYS 87 HD2 LYS 87 92.173 -1.638 1.333 739 HD3 LYS 87 HD1 LYS 87 91.714 -1.440 3.025 740 HE2 LYS 87 HE2 LYS 87 90.147 0.338 2.431 741 HE3 LYS 87 HE1 LYS 87 90.644 0.244 0.742 742 HZ1 LYS 87 HZ1 LYS 87 89.905 -2.098 0.755 743 HZ2 LYS 87 HZ2 LYS 87 88.640 -0.996 1.026 744 HZ3 LYS 87 HZ3 LYS 87 89.298 -1.876 2.323 745 H GLU 88 HN GLU 88 94.644 1.647 4.832 746 HA GLU 88 HA GLU 88 93.186 3.842 3.702 747 HB2 GLU 88 HB2 GLU 88 92.325 4.089 5.808 748 HB3 GLU 88 HB1 GLU 88 92.898 2.432 5.939 749 HG2 GLU 88 HG2 GLU 88 93.780 3.395 7.870 750 HG3 GLU 88 HG1 GLU 88 95.134 3.520 6.758 751 H LEU 89 HN LEU 89 96.433 3.278 4.721 752 HA LEU 89 HA LEU 89 97.101 5.845 5.616 753 HB2 LEU 89 HB2 LEU 89 98.402 3.564 5.599 754 HB3 LEU 89 HB1 LEU 89 99.069 4.190 4.099 755 HG LEU 89 HG LEU 89 100.540 4.834 5.912 756 HD11 LEU 89 HD11 LEU 89 100.693 7.133 5.484 757 HD12 LEU 89 HD12 LEU 89 98.945 7.315 5.358 758 HD13 LEU 89 HD13 LEU 89 99.848 6.512 4.070 759 HD21 LEU 89 HD21 LEU 89 99.821 5.451 7.978 760 HD22 LEU 89 HD22 LEU 89 98.243 4.861 7.456 761 HD23 LEU 89 HD23 LEU 89 98.634 6.573 7.314 762 H ILE 90 HN ILE 90 97.329 4.373 2.400 763 HA ILE 90 HA ILE 90 98.446 6.628 1.130 764 HB ILE 90 HB ILE 90 96.792 4.331 0.040 765 HG12 ILE 90 HG12 ILE 90 99.720 4.934 0.405 766 HG13 ILE 90 HG11 ILE 90 98.841 3.457 0.768 767 HG21 ILE 90 HG21 ILE 90 96.666 6.393 -1.441 768 HG22 ILE 90 HG22 ILE 90 97.473 5.040 -2.205 769 HG23 ILE 90 HG23 ILE 90 98.425 6.362 -1.533 770 HD11 ILE 90 HD11 ILE 90 98.446 3.320 -1.803 771 HD12 ILE 90 HD12 ILE 90 100.047 2.903 -1.197 772 HD13 ILE 90 HD13 ILE 90 99.762 4.488 -1.912 773 H ASP 91 HN ASP 91 95.086 5.569 1.594 774 HA ASP 91 HA ASP 91 93.662 7.222 -0.014 775 HB2 ASP 91 HB2 ASP 91 93.133 6.508 2.870 776 HB3 ASP 91 HB1 ASP 91 91.958 7.344 1.861 777 H LYS 92 HN LYS 92 95.753 8.196 2.523 778 HA LYS 92 HA LYS 92 94.599 10.776 3.010 779 HB2 LYS 92 HB2 LYS 92 97.297 9.568 3.605 780 HB3 LYS 92 HB1 LYS 92 96.900 11.238 4.010 781 HG2 LYS 92 HG2 LYS 92 94.953 10.440 5.322 782 HG3 LYS 92 HG1 LYS 92 95.399 8.775 4.951 783 HD2 LYS 92 HD2 LYS 92 97.573 9.100 6.069 784 HD3 LYS 92 HD1 LYS 92 97.139 10.773 6.428 785 HE2 LYS 92 HE2 LYS 92 95.213 9.993 7.757 786 HE3 LYS 92 HE1 LYS 92 95.646 8.320 7.405 787 HZ1 LYS 92 HZ1 LYS 92 97.910 8.978 8.377 788 HZ2 LYS 92 HZ2 LYS 92 96.620 8.709 9.450 789 HZ3 LYS 92 HZ3 LYS 92 97.084 10.295 9.057 790 H LYS 93 HN LYS 93 95.172 12.755 2.183 791 HA LYS 93 HA LYS 93 96.384 12.711 -0.463 792 HB2 LYS 93 HB2 LYS 93 95.079 14.916 1.144 793 HB3 LYS 93 HB1 LYS 93 95.729 15.130 -0.482 794 HG2 LYS 93 HG2 LYS 93 94.215 13.357 -1.313 795 HG3 LYS 93 HG1 LYS 93 93.551 13.174 0.311 796 HD2 LYS 93 HD2 LYS 93 92.833 15.548 0.271 797 HD3 LYS 93 HD1 LYS 93 93.456 15.695 -1.373 798 HE2 LYS 93 HE2 LYS 93 91.897 13.975 -2.151 799 HE3 LYS 93 HE1 LYS 93 91.303 13.741 -0.507 800 HZ1 LYS 93 HZ1 LYS 93 90.196 15.713 -0.521 801 HZ2 LYS 93 HZ2 LYS 93 90.091 15.334 -2.175 802 HZ3 LYS 93 HZ3 LYS 93 91.254 16.446 -1.627 803 H GLU 94 HN GLU 94 97.512 12.989 2.646 804 HA GLU 94 HA GLU 94 99.420 15.095 2.352 805 HB2 GLU 94 HB2 GLU 94 99.208 12.788 4.292 806 HB3 GLU 94 HB1 GLU 94 100.462 14.025 4.389 807 HG2 GLU 94 HG2 GLU 94 98.790 15.772 4.630 808 HG3 GLU 94 HG1 GLU 94 97.489 14.609 4.387 809 H VAL 95 HN VAL 95 99.607 13.541 0.076 810 HA VAL 95 HA VAL 95 102.249 12.245 0.406 811 HB VAL 95 HB VAL 95 101.673 10.753 -1.433 812 HG11 VAL 95 HG11 VAL 95 101.050 10.080 0.859 813 HG12 VAL 95 HG12 VAL 95 99.887 9.467 -0.317 814 HG13 VAL 95 HG13 VAL 95 99.487 10.873 0.669 815 HG21 VAL 95 HG21 VAL 95 100.239 11.945 -2.854 816 HG22 VAL 95 HG22 VAL 95 99.232 12.513 -1.523 817 HG23 VAL 95 HG23 VAL 95 99.116 10.840 -2.064 818 H ASN 96 HN ASN 96 103.861 13.039 -0.792 819 HA ASN 96 HA ASN 96 103.204 15.131 -2.766 820 HB2 ASN 96 HB2 ASN 96 105.982 15.083 -2.232 821 HB3 ASN 96 HB1 ASN 96 104.809 16.294 -1.724 822 HD21 ASN 96 HD21 ASN 96 106.857 13.730 -0.623 823 HD22 ASN 96 HD22 ASN 96 106.341 13.731 0.995 824 HA PRO 97 HA PRO 97 104.690 13.222 -6.432 825 HB2 PRO 97 HB2 PRO 97 107.193 14.843 -6.197 826 HB3 PRO 97 HB1 PRO 97 106.127 14.613 -7.594 827 HG2 PRO 97 HG2 PRO 97 106.092 16.832 -6.058 828 HG3 PRO 97 HG1 PRO 97 104.672 16.220 -6.918 829 HD2 PRO 97 HD2 PRO 97 105.184 16.296 -4.040 830 HD3 PRO 97 HD1 PRO 97 103.662 15.987 -4.898 831 H GLN 98 HN GLN 98 106.619 13.296 -3.582 832 HA GLN 98 HA GLN 98 108.849 11.829 -3.999 833 HB2 GLN 98 HB2 GLN 98 108.775 11.198 -1.763 834 HB3 GLN 98 HB1 GLN 98 107.640 12.545 -1.771 835 HG2 GLN 98 HG2 GLN 98 105.847 10.746 -2.302 836 HG3 GLN 98 HG1 GLN 98 107.051 9.591 -1.729 837 HE21 GLN 98 HE21 GLN 98 104.583 10.009 -0.329 838 HE22 GLN 98 HE22 GLN 98 104.941 10.725 1.168 839 H VAL 99 HN VAL 99 105.629 10.775 -4.567 840 HA VAL 99 HA VAL 99 105.998 7.974 -4.469 841 HB VAL 99 HB VAL 99 104.123 9.631 -6.168 842 HG11 VAL 99 HG11 VAL 99 104.123 7.508 -7.176 843 HG12 VAL 99 HG12 VAL 99 102.805 7.389 -6.011 844 HG13 VAL 99 HG13 VAL 99 104.376 6.676 -5.642 845 HG21 VAL 99 HG21 VAL 99 102.521 9.279 -4.411 846 HG22 VAL 99 HG22 VAL 99 103.996 9.860 -3.640 847 HG23 VAL 99 HG23 VAL 99 103.588 8.145 -3.585 848 H MET 100 HN MET 100 106.325 10.326 -7.123 849 HA MET 100 HA MET 100 107.029 8.393 -9.101 850 HB2 MET 100 HB2 MET 100 107.457 11.379 -8.968 851 HB3 MET 100 HB1 MET 100 107.806 10.395 -10.388 852 HG2 MET 100 HG2 MET 100 105.444 9.624 -10.409 853 HG3 MET 100 HG1 MET 100 105.104 10.678 -9.038 854 HE1 MET 100 HE1 MET 100 105.190 14.174 -10.244 855 HE2 MET 100 HE2 MET 100 106.669 13.446 -9.631 856 HE3 MET 100 HE3 MET 100 105.117 12.995 -8.929 857 H ALA 101 HN ALA 101 108.905 10.469 -6.932 858 HA ALA 101 HA ALA 101 111.453 9.987 -8.033 859 HB1 ALA 101 HB1 ALA 101 111.877 10.270 -5.279 860 HB2 ALA 101 HB2 ALA 101 110.364 11.139 -5.587 861 HB3 ALA 101 HB3 ALA 101 111.822 11.583 -6.465 862 H ALA 102 HN ALA 102 109.357 7.975 -6.199 863 HA ALA 102 HA ALA 102 111.467 6.182 -5.296 864 HB1 ALA 102 HB1 ALA 102 109.894 5.532 -3.846 865 HB2 ALA 102 HB2 ALA 102 108.879 4.983 -5.182 866 HB3 ALA 102 HB3 ALA 102 108.758 6.647 -4.612 867 H VAL 103 HN VAL 103 108.987 6.275 -7.820 868 HA VAL 103 HA VAL 103 108.967 3.753 -8.832 869 HB VAL 103 HB VAL 103 109.060 6.392 -10.286 870 HG11 VAL 103 HG11 VAL 103 108.098 4.891 -12.197 871 HG12 VAL 103 HG12 VAL 103 108.947 3.590 -11.363 872 HG13 VAL 103 HG13 VAL 103 109.844 4.981 -11.974 873 HG21 VAL 103 HG21 VAL 103 107.104 5.376 -8.771 874 HG22 VAL 103 HG22 VAL 103 106.748 4.500 -10.260 875 HG23 VAL 103 HG23 VAL 103 106.753 6.264 -10.253 876 H ALA 104 HN ALA 104 111.684 5.860 -8.666 877 HA ALA 104 HA ALA 104 113.321 5.011 -10.731 878 HB1 ALA 104 HB1 ALA 104 113.710 6.178 -8.056 879 HB2 ALA 104 HB2 ALA 104 114.456 6.608 -9.596 880 HB3 ALA 104 HB3 ALA 104 115.090 5.256 -8.658 881 H GLN 105 HN GLN 105 111.944 3.104 -8.375 882 HA GLN 105 HA GLN 105 112.455 1.030 -7.453 883 HB2 GLN 105 HB2 GLN 105 111.611 0.507 -9.701 884 HB3 GLN 105 HB1 GLN 105 113.246 0.630 -10.347 885 HG2 GLN 105 HG2 GLN 105 113.985 -1.247 -9.005 886 HG3 GLN 105 HG1 GLN 105 112.448 -1.293 -8.145 887 HE21 GLN 105 HE21 GLN 105 113.452 -3.568 -9.588 888 HE22 GLN 105 HE22 GLN 105 112.416 -3.852 -10.902 889 H THR 106 HN THR 106 114.933 0.584 -9.864 890 HA THR 106 HA THR 106 116.980 0.657 -7.731 891 HB THR 106 HB THR 106 118.190 -1.010 -9.213 892 HG1 THR 106 HG1 THR 106 115.893 -1.890 -10.331 893 HG21 THR 106 HG21 THR 106 115.807 -1.406 -7.541 894 HG22 THR 106 HG22 THR 106 117.365 -2.231 -7.493 895 HG23 THR 106 HG23 THR 106 116.130 -2.748 -8.639 896 H GLU 107 HN GLU 107 115.921 1.979 -10.682 897 HA GLU 107 HA GLU 107 118.458 3.449 -10.941 898 HB2 GLU 107 HB2 GLU 107 117.012 2.081 -13.222 899 HB3 GLU 107 HB1 GLU 107 118.358 3.207 -13.407 900 HG2 GLU 107 HG2 GLU 107 119.791 1.724 -12.038 901 HG3 GLU 107 HG1 GLU 107 118.454 0.587 -11.878 902 H GLU 108 HN GLU 108 118.254 5.479 -12.068 903 HA GLU 108 HA GLU 108 115.727 6.768 -11.540 904 HB2 GLU 108 HB2 GLU 108 118.291 7.761 -12.800 905 HB3 GLU 108 HB1 GLU 108 116.893 8.784 -12.462 906 HG2 GLU 108 HG2 GLU 108 117.043 8.251 -10.078 907 HG3 GLU 108 HG1 GLU 108 118.381 7.146 -10.386 908 H ILE 109 HN ILE 109 114.075 6.927 -12.909 909 HA ILE 109 HA ILE 109 113.818 5.712 -15.333 910 HB ILE 109 HB ILE 109 111.982 7.328 -15.813 911 HG12 ILE 109 HG12 ILE 109 113.017 8.777 -13.346 912 HG13 ILE 109 HG11 ILE 109 113.219 9.356 -14.998 913 HG21 ILE 109 HG21 ILE 109 111.437 5.531 -14.292 914 HG22 ILE 109 HG22 ILE 109 110.757 7.000 -13.599 915 HG23 ILE 109 HG23 ILE 109 112.258 6.339 -12.954 916 HD11 ILE 109 HD11 ILE 109 110.451 8.682 -14.538 917 HD12 ILE 109 HD12 ILE 109 111.151 10.234 -14.998 918 HD13 ILE 109 HD13 ILE 109 111.012 9.799 -13.295 919 H LEU 110 HN LEU 110 115.464 8.698 -14.655 920 HA LEU 110 HA LEU 110 115.576 9.717 -17.299 921 HB2 LEU 110 HB2 LEU 110 117.442 10.108 -14.943 922 HB3 LEU 110 HB1 LEU 110 117.504 11.050 -16.435 923 HG LEU 110 HG LEU 110 115.088 10.836 -14.615 924 HD11 LEU 110 HD11 LEU 110 115.742 13.386 -14.387 925 HD12 LEU 110 HD12 LEU 110 117.350 12.792 -14.804 926 HD13 LEU 110 HD13 LEU 110 116.523 12.171 -13.375 927 HD21 LEU 110 HD21 LEU 110 115.594 12.054 -17.282 928 HD22 LEU 110 HD22 LEU 110 114.701 13.053 -16.135 929 HD23 LEU 110 HD23 LEU 110 114.089 11.460 -16.581 930 H LYS 111 HN LYS 111 117.688 7.567 -15.451 931 HA LYS 111 HA LYS 111 119.218 7.039 -17.926 932 HB2 LYS 111 HB2 LYS 111 120.306 7.949 -15.677 933 HB3 LYS 111 HB1 LYS 111 120.258 6.240 -15.240 934 HG2 LYS 111 HG2 LYS 111 121.493 5.669 -17.294 935 HG3 LYS 111 HG1 LYS 111 121.496 7.355 -17.776 936 HD2 LYS 111 HD2 LYS 111 122.772 7.959 -15.771 937 HD3 LYS 111 HD1 LYS 111 122.795 6.267 -15.274 938 HE2 LYS 111 HE2 LYS 111 124.026 5.657 -17.298 939 HE3 LYS 111 HE1 LYS 111 123.946 7.321 -17.876 940 HZ1 LYS 111 HZ1 LYS 111 125.744 6.145 -16.005 941 HZ2 LYS 111 HZ2 LYS 111 124.969 7.505 -15.345 942 HZ3 LYS 111 HZ3 LYS 111 125.842 7.641 -16.797 943 H SER 112 HN SER 112 116.855 5.754 -17.802 944 HA SER 112 HA SER 112 116.773 3.315 -16.409 945 HB2 SER 112 HB2 SER 112 115.065 2.658 -18.017 946 HB3 SER 112 HB1 SER 112 114.830 4.342 -17.560 947 HG SER 112 HG SER 112 115.353 4.949 -19.522 948 H ASN 113 HN ASN 113 118.598 4.299 -19.161 949 HA ASN 113 HA ASN 113 119.006 1.834 -20.452 950 HB2 ASN 113 HB2 ASN 113 120.988 4.108 -20.175 951 HB3 ASN 113 HB1 ASN 113 120.990 2.855 -21.415 952 HD21 ASN 113 HD21 ASN 113 120.578 5.905 -21.581 953 HD22 ASN 113 HD22 ASN 113 119.135 6.072 -22.459 954 H SER 114 HN SER 114 120.742 3.372 -17.768 955 HA SER 114 HA SER 114 121.418 0.997 -16.466 956 HB2 SER 114 HB2 SER 114 122.879 0.295 -18.154 957 HB3 SER 114 HB1 SER 114 123.430 1.933 -18.494 958 HG SER 114 HG SER 114 123.838 0.786 -15.958 959 H GLN 115 HN GLN 115 122.539 1.371 -14.537 960 HA GLN 115 HA GLN 115 123.224 2.618 -12.731 961 HB2 GLN 115 HB2 GLN 115 124.430 4.339 -14.927 962 HB3 GLN 115 HB1 GLN 115 124.806 4.470 -13.208 963 HG2 GLN 115 HG2 GLN 115 125.613 2.167 -13.158 964 HG3 GLN 115 HG1 GLN 115 125.187 1.956 -14.856 965 HE21 GLN 115 HE21 GLN 115 127.695 1.452 -14.820 966 HE22 GLN 115 HE22 GLN 115 128.712 2.779 -15.110 967 H THR 116 HN THR 116 123.542 5.456 -12.544 968 HA THR 116 HA THR 116 120.776 6.403 -12.967 969 HB THR 116 HB THR 116 120.846 7.505 -10.810 970 HG1 THR 116 HG1 THR 116 122.774 7.980 -10.153 971 HG21 THR 116 HG21 THR 116 121.743 4.617 -10.626 972 HG22 THR 116 HG22 THR 116 120.085 5.172 -10.849 973 HG23 THR 116 HG23 THR 116 120.935 5.517 -9.343 974 H ASP 117 HN ASP 117 120.680 8.859 -12.702 975 HA ASP 117 HA ASP 117 121.968 10.185 -14.674 976 HB2 ASP 117 HB2 ASP 117 121.089 11.200 -11.973 977 HB3 ASP 117 HB1 ASP 117 121.713 12.278 -13.220 978 H LEU 118 HN LEU 118 123.366 9.154 -11.686 979 HA LEU 118 HA LEU 118 125.813 10.697 -12.252 980 HB2 LEU 118 HB2 LEU 118 125.015 9.242 -9.720 981 HB3 LEU 118 HB1 LEU 118 126.443 10.255 -9.937 982 HG LEU 118 HG LEU 118 123.574 11.198 -10.216 983 HD11 LEU 118 HD11 LEU 118 123.971 10.841 -7.901 984 HD12 LEU 118 HD12 LEU 118 124.268 12.561 -8.156 985 HD13 LEU 118 HD13 LEU 118 125.625 11.444 -8.012 986 HD21 LEU 118 HD21 LEU 118 126.249 12.438 -10.721 987 HD22 LEU 118 HD22 LEU 118 125.000 13.451 -9.996 988 HD23 LEU 118 HD23 LEU 118 124.719 12.689 -11.561 989 H GLU 119 HN GLU 119 127.558 9.641 -13.013 990 HA GLU 119 HA GLU 119 127.452 6.854 -13.614 991 HB2 GLU 119 HB2 GLU 119 129.719 8.868 -13.743 992 HB3 GLU 119 HB1 GLU 119 129.823 7.218 -14.356 993 HG2 GLU 119 HG2 GLU 119 129.200 8.414 -16.271 994 HG3 GLU 119 HG1 GLU 119 127.646 7.835 -15.680 995 H HIS 120 HN HIS 120 128.804 8.766 -11.019 996 HA HIS 120 HA HIS 120 129.901 6.299 -9.805 997 HB2 HIS 120 HB2 HIS 120 130.785 9.176 -9.574 998 HB3 HIS 120 HB1 HIS 120 131.323 7.919 -8.460 999 HD1 HIS 120 HD1 HIS 120 132.645 5.869 -9.557 1000 HD2 HIS 120 HD2 HIS 120 132.095 9.166 -12.048 1001 HE1 HIS 120 HE1 HIS 120 134.256 5.583 -11.490 1002 HE2 HIS 120 HE2 HIS 120 133.933 7.585 -13.018 1003 H HIS 121 HN HIS 121 129.632 6.023 -7.544 1004 HA HIS 121 HA HIS 121 127.288 7.466 -6.460 1005 HB2 HIS 121 HB2 HIS 121 128.287 4.653 -5.991 1006 HB3 HIS 121 HB1 HIS 121 127.038 5.414 -5.005 1007 HD1 HIS 121 HD1 HIS 121 127.684 4.073 -8.453 1008 HD2 HIS 121 HD2 HIS 121 124.536 5.775 -6.314 1009 HE1 HIS 121 HE1 HIS 121 125.601 3.734 -9.853 1010 HE2 HIS 121 HE2 HIS 121 123.673 4.765 -8.563 1011 H HIS 122 HN HIS 122 127.292 8.069 -4.267 1012 HA HIS 122 HA HIS 122 129.768 9.040 -3.288 1013 HB2 HIS 122 HB2 HIS 122 127.026 8.777 -2.057 1014 HB3 HIS 122 HB1 HIS 122 128.392 9.456 -1.171 1015 HD1 HIS 122 HD1 HIS 122 129.557 11.600 -2.309 1016 HD2 HIS 122 HD2 HIS 122 125.830 10.546 -3.851 1017 HE1 HIS 122 HE1 HIS 122 128.732 13.603 -3.623 1018 HE2 HIS 122 HE2 HIS 122 126.461 12.975 -4.569 1019 H HIS 123 HN HIS 123 127.753 6.264 -2.383 1020 HA HIS 123 HA HIS 123 129.203 5.413 -0.141 1021 HB2 HIS 123 HB2 HIS 123 127.571 3.886 -2.172 1022 HB3 HIS 123 HB1 HIS 123 128.267 3.129 -0.738 1023 HD1 HIS 123 HD1 HIS 123 125.883 5.932 -1.692 1024 HD2 HIS 123 HD2 HIS 123 126.808 3.546 1.599 1025 HE1 HIS 123 HE1 HIS 123 124.138 6.438 0.074 1026 HE2 HIS 123 HE2 HIS 123 124.689 4.992 2.086 1027 H HIS 124 HN HIS 124 129.652 4.721 -3.587 1028 HA HIS 124 HA HIS 124 131.679 2.789 -3.350 1029 HB2 HIS 124 HB2 HIS 124 130.523 3.237 -5.463 1030 HB3 HIS 124 HB1 HIS 124 131.248 4.843 -5.533 1031 HD1 HIS 124 HD1 HIS 124 132.350 1.193 -5.402 1032 HD2 HIS 124 HD2 HIS 124 133.731 4.886 -6.753 1033 HE1 HIS 124 HE1 HIS 124 134.516 0.740 -6.636 1034 HE2 HIS 124 HE2 HIS 124 135.370 2.982 -7.466 1035 H HIS 125 HN HIS 125 131.863 6.329 -3.581 1036 HA HIS 125 HA HIS 125 134.328 6.377 -2.102 1037 HB2 HIS 125 HB2 HIS 125 135.183 5.766 -4.337 1038 HB3 HIS 125 HB1 HIS 125 134.402 7.193 -5.018 1039 HD1 HIS 125 HD1 HIS 125 136.779 6.496 -2.100 1040 HD2 HIS 125 HD2 HIS 125 136.158 9.310 -5.113 1041 HE1 HIS 125 HE1 HIS 125 138.624 8.215 -1.865 1042 HE2 HIS 125 HE2 HIS 125 138.260 9.938 -3.695
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