NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1500 | 1ao8 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 HT3 THR 1 131.954 -8.718 -7.489 2 2H THR 1 HT2 THR 1 132.536 -7.448 -8.457 3 3H THR 1 HT1 THR 1 132.906 -7.495 -6.799 4 HA THR 1 HA THR 1 131.205 -5.867 -7.142 5 HB THR 1 HB THR 1 129.029 -6.571 -8.112 6 HG1 THR 1 HG1 THR 1 128.684 -8.597 -8.472 7 1HG2 THR 1 HG23 THR 1 131.211 -5.789 -9.448 8 2HG2 THR 1 HG22 THR 1 131.026 -7.387 -10.170 9 3HG2 THR 1 HG21 THR 1 129.714 -6.213 -10.279 10 H ALA 2 HN ALA 2 130.357 -5.544 -5.151 11 HA ALA 2 HA ALA 2 128.835 -7.667 -3.799 12 1HB ALA 2 HB2 ALA 2 131.543 -6.733 -2.887 13 2HB ALA 2 HB1 ALA 2 130.337 -7.209 -1.692 14 3HB ALA 2 HB3 ALA 2 130.880 -8.367 -2.906 15 H PHE 3 HN PHE 3 127.058 -6.543 -3.191 16 HA PHE 3 HA PHE 3 127.101 -3.668 -2.764 17 1HB PHE 3 HB2 PHE 3 125.053 -5.844 -2.648 18 2HB PHE 3 HB1 PHE 3 124.702 -4.340 -1.798 19 HD1 PHE 3 HD1 PHE 3 126.526 -5.009 -5.017 20 HD2 PHE 3 HD2 PHE 3 123.187 -3.116 -3.084 21 HE1 PHE 3 HE1 PHE 3 125.890 -3.939 -7.161 22 HE2 PHE 3 HE2 PHE 3 122.553 -2.046 -5.229 23 HZ PHE 3 HZ PHE 3 123.904 -2.458 -7.268 24 H LEU 4 HN LEU 4 126.816 -2.572 -0.764 25 HA LEU 4 HA LEU 4 126.728 -4.077 1.750 26 1HB LEU 4 HB2 LEU 4 129.143 -4.175 1.100 27 2HB LEU 4 HB1 LEU 4 129.178 -2.412 1.094 28 HG LEU 4 HG LEU 4 128.205 -2.660 3.523 29 1HD1 LEU 4 HD12 LEU 4 129.288 -5.392 2.873 30 2HD1 LEU 4 HD11 LEU 4 129.366 -4.776 4.524 31 3HD1 LEU 4 HD13 LEU 4 127.805 -4.963 3.725 32 1HD2 LEU 4 HD21 LEU 4 131.068 -3.214 2.702 33 2HD2 LEU 4 HD23 LEU 4 130.358 -1.663 3.149 34 3HD2 LEU 4 HD22 LEU 4 130.593 -2.910 4.373 35 H TRP 5 HN TRP 5 125.222 -2.867 2.803 36 HA TRP 5 HA TRP 5 125.749 -0.017 3.243 37 1HB TRP 5 HB2 TRP 5 123.663 0.802 2.331 38 2HB TRP 5 HB1 TRP 5 124.486 -0.104 1.068 39 HD1 TRP 5 HD1 TRP 5 121.247 0.194 2.742 40 HE1 TRP 5 HE1 TRP 5 119.712 -1.794 2.175 41 HE3 TRP 5 HE3 TRP 5 124.653 -2.989 0.644 42 HZ2 TRP 5 HZ2 TRP 5 119.897 -4.386 0.992 43 HZ3 TRP 5 HZ3 TRP 5 123.942 -5.211 -0.188 44 HH2 TRP 5 HH2 TRP 5 121.571 -5.911 -0.019 45 H ALA 6 HN ALA 6 124.107 0.900 4.823 46 HA ALA 6 HA ALA 6 123.025 -1.271 6.578 47 1HB ALA 6 HB1 ALA 6 125.068 -0.113 7.495 48 2HB ALA 6 HB3 ALA 6 124.145 1.390 7.502 49 3HB ALA 6 HB2 ALA 6 123.640 0.040 8.518 50 H GLN 7 HN GLN 7 120.898 -1.051 7.125 51 HA GLN 7 HA GLN 7 119.609 1.617 6.806 52 1HB GLN 7 HB2 GLN 7 117.668 0.521 5.693 53 2HB GLN 7 HB1 GLN 7 119.142 0.410 4.732 54 1HG GLN 7 HG2 GLN 7 119.158 -1.848 4.838 55 2HG GLN 7 HG1 GLN 7 118.887 -1.841 6.580 56 1HE2 GLN 7 HE22 GLN 7 115.887 -3.156 4.509 57 2HE2 GLN 7 HE21 GLN 7 117.545 -3.393 4.236 58 H ASP 8 HN ASP 8 117.240 1.410 7.719 59 HA ASP 8 HA ASP 8 117.375 -0.252 10.203 60 1HB ASP 8 HB2 ASP 8 115.993 1.504 11.281 61 2HB ASP 8 HB1 ASP 8 117.531 2.146 10.707 62 H ARG 9 HN ARG 9 114.864 -0.219 11.103 63 HA ARG 9 HA ARG 9 113.450 -2.028 9.444 64 1HB ARG 9 HB2 ARG 9 111.516 -1.589 10.950 65 2HB ARG 9 HB1 ARG 9 113.011 -1.872 11.840 66 1HG ARG 9 HG2 ARG 9 113.333 0.541 12.123 67 2HG ARG 9 HG1 ARG 9 111.886 0.863 11.168 68 1HD ARG 9 HD2 ARG 9 111.822 -0.824 13.675 69 2HD ARG 9 HD1 ARG 9 111.589 0.924 13.709 70 HE ARG 9 HE ARG 9 109.802 -0.013 11.776 71 1HH1 ARG 9 HH21 ARG 9 110.380 -0.578 15.179 72 2HH1 ARG 9 HH22 ARG 9 108.722 -0.944 15.502 73 1HH2 ARG 9 HH11 ARG 9 107.668 -0.492 12.239 74 2HH2 ARG 9 HH12 ARG 9 107.201 -0.896 13.857 75 H ASP 10 HN ASP 10 113.578 1.446 9.315 76 HA ASP 10 HA ASP 10 111.072 1.678 7.792 77 1HB ASP 10 HB2 ASP 10 113.205 3.640 8.639 78 2HB ASP 10 HB1 ASP 10 111.910 4.096 7.533 79 H GLY 11 HN GLY 11 114.472 1.247 7.120 80 1HA GLY 11 HA2 GLY 11 115.132 0.447 4.899 81 2HA GLY 11 HA1 GLY 11 113.837 1.423 4.211 82 H LEU 12 HN LEU 12 114.885 3.569 6.322 83 HA LEU 12 HA LEU 12 116.277 5.207 4.479 84 1HB LEU 12 HB2 LEU 12 115.168 5.848 6.716 85 2HB LEU 12 HB1 LEU 12 116.685 5.354 7.468 86 HG LEU 12 HG LEU 12 117.727 6.912 5.583 87 1HD1 LEU 12 HD12 LEU 12 115.271 7.275 4.759 88 2HD1 LEU 12 HD11 LEU 12 115.162 8.393 6.119 89 3HD1 LEU 12 HD13 LEU 12 116.353 8.666 4.847 90 1HD2 LEU 12 HD23 LEU 12 117.769 7.130 8.138 91 2HD2 LEU 12 HD22 LEU 12 117.903 8.635 7.229 92 3HD2 LEU 12 HD21 LEU 12 116.366 8.185 7.967 93 H ILE 13 HN ILE 13 118.507 5.660 4.209 94 HA ILE 13 HA ILE 13 120.415 3.817 5.574 95 HB ILE 13 HB ILE 13 121.606 3.558 3.376 96 1HG1 ILE 13 HG12 ILE 13 119.064 4.463 2.050 97 2HG1 ILE 13 HG11 ILE 13 120.292 5.656 2.478 98 1HG2 ILE 13 HG22 ILE 13 118.878 2.504 3.966 99 2HG2 ILE 13 HG21 ILE 13 119.546 2.175 2.368 100 3HG2 ILE 13 HG23 ILE 13 120.407 1.642 3.810 101 1HD1 ILE 13 HD12 ILE 13 121.980 4.217 1.259 102 2HD1 ILE 13 HD11 ILE 13 120.628 3.246 0.675 103 3HD1 ILE 13 HD13 ILE 13 120.753 4.947 0.223 104 H GLY 14 HN GLY 14 119.740 6.734 5.849 105 1HA GLY 14 HA2 GLY 14 122.051 7.927 6.546 106 2HA GLY 14 HA1 GLY 14 122.152 8.075 4.791 107 H LYS 15 HN LYS 15 122.134 10.439 5.874 108 HA LYS 15 HA LYS 15 119.522 11.565 5.171 109 1HB LYS 15 HB2 LYS 15 119.309 10.923 7.605 110 2HB LYS 15 HB1 LYS 15 120.617 12.054 7.954 111 1HG LYS 15 HG2 LYS 15 119.318 13.910 7.073 112 2HG LYS 15 HG1 LYS 15 118.038 12.812 6.553 113 1HD LYS 15 HD2 LYS 15 117.298 12.425 8.722 114 2HD LYS 15 HD1 LYS 15 118.869 12.797 9.433 115 1HE LYS 15 HE2 LYS 15 117.369 14.965 8.001 116 2HE LYS 15 HE1 LYS 15 116.888 14.528 9.641 117 1HZ LYS 15 HZ1 LYS 15 119.206 14.851 10.331 118 2HZ LYS 15 HZ3 LYS 15 119.598 15.367 8.764 119 3HZ LYS 15 HZ2 LYS 15 118.517 16.274 9.710 120 H ASP 16 HN ASP 16 120.031 13.329 3.983 121 HA ASP 16 HA ASP 16 121.201 15.186 3.162 122 1HB ASP 16 HB2 ASP 16 121.929 15.302 6.098 123 2HB ASP 16 HB1 ASP 16 122.416 16.542 4.943 124 H GLY 17 HN GLY 17 122.502 12.484 3.212 125 1HA GLY 17 HA2 GLY 17 124.577 11.903 2.134 126 2HA GLY 17 HA1 GLY 17 125.258 13.438 2.673 127 H HIS 18 HN HIS 18 124.636 13.340 5.399 128 HA HIS 18 HA HIS 18 126.557 11.276 6.296 129 1HB HIS 18 HB2 HIS 18 126.429 12.511 8.478 130 2HB HIS 18 HB1 HIS 18 126.934 13.529 7.130 131 HD1 HIS 18 HD1 HIS 18 123.748 12.642 9.028 132 HD2 HIS 18 HD2 HIS 18 125.342 15.770 6.780 133 HE1 HIS 18 HE1 HIS 18 122.074 14.538 9.152 134 H LEU 19 HN LEU 19 126.023 9.994 8.262 135 HA LEU 19 HA LEU 19 123.367 8.819 8.025 136 1HB LEU 19 HB2 LEU 19 125.809 8.274 9.688 137 2HB LEU 19 HB1 LEU 19 124.272 7.527 10.127 138 HG LEU 19 HG LEU 19 125.216 7.396 7.279 139 1HD1 LEU 19 HD13 LEU 19 126.155 5.679 9.590 140 2HD1 LEU 19 HD12 LEU 19 126.272 5.175 7.904 141 3HD1 LEU 19 HD11 LEU 19 127.152 6.597 8.463 142 1HD2 LEU 19 HD21 LEU 19 123.560 5.615 9.094 143 2HD2 LEU 19 HD23 LEU 19 122.956 6.635 7.789 144 3HD2 LEU 19 HD22 LEU 19 123.959 5.232 7.420 145 HA PRO 20 HA PRO 20 121.425 11.276 11.205 146 1HB PRO 20 HB2 PRO 20 119.316 9.528 11.727 147 2HB PRO 20 HB1 PRO 20 119.348 10.750 10.449 148 1HG PRO 20 HG2 PRO 20 119.428 7.880 10.199 149 2HG PRO 20 HG1 PRO 20 119.309 9.102 8.925 150 1HD PRO 20 HD2 PRO 20 121.621 7.549 9.730 151 2HD PRO 20 HD1 PRO 20 121.441 8.642 8.349 152 H TRP 21 HN TRP 21 121.918 7.806 11.789 153 HA TRP 21 HA TRP 21 122.001 8.342 14.722 154 1HB TRP 21 HB2 TRP 21 121.912 5.845 14.924 155 2HB TRP 21 HB1 TRP 21 120.513 6.521 14.092 156 HD1 TRP 21 HD1 TRP 21 123.873 4.801 13.315 157 HE1 TRP 21 HE1 TRP 21 123.657 3.587 11.050 158 HE3 TRP 21 HE3 TRP 21 119.192 6.314 11.943 159 HZ2 TRP 21 HZ2 TRP 21 121.753 3.296 8.938 160 HZ3 TRP 21 HZ3 TRP 21 118.202 5.553 9.801 161 HH2 TRP 21 HH2 TRP 21 119.476 4.048 8.298 162 H HIS 22 HN HIS 22 123.664 6.469 15.674 163 HA HIS 22 HA HIS 22 126.214 6.651 14.151 164 1HB HIS 22 HB2 HIS 22 125.975 8.532 15.892 165 2HB HIS 22 HB1 HIS 22 126.098 7.261 17.110 166 HD1 HIS 22 HD1 HIS 22 128.029 8.154 13.927 167 HD2 HIS 22 HD2 HIS 22 128.727 6.931 17.851 168 HE1 HIS 22 HE1 HIS 22 130.543 7.989 14.190 169 H LEU 23 HN LEU 23 126.425 4.457 13.818 170 HA LEU 23 HA LEU 23 126.267 2.691 16.229 171 1HB LEU 23 HB2 LEU 23 124.685 2.283 14.235 172 2HB LEU 23 HB1 LEU 23 126.121 1.750 13.361 173 HG LEU 23 HG LEU 23 126.578 0.140 15.245 174 1HD1 LEU 23 HD12 LEU 23 123.918 1.253 16.137 175 2HD1 LEU 23 HD11 LEU 23 124.442 -0.361 16.618 176 3HD1 LEU 23 HD13 LEU 23 125.394 1.050 17.080 177 1HD2 LEU 23 HD22 LEU 23 125.101 -0.223 13.050 178 2HD2 LEU 23 HD21 LEU 23 125.258 -1.491 14.266 179 3HD2 LEU 23 HD23 LEU 23 123.824 -0.463 14.243 180 HA PRO 24 HA PRO 24 130.818 3.268 15.228 181 1HB PRO 24 HB2 PRO 24 131.170 2.132 17.884 182 2HB PRO 24 HB1 PRO 24 131.637 3.729 17.285 183 1HG PRO 24 HG2 PRO 24 129.428 3.040 18.974 184 2HG PRO 24 HG1 PRO 24 129.930 4.641 18.416 185 1HD PRO 24 HD2 PRO 24 127.609 3.267 17.639 186 2HD PRO 24 HD1 PRO 24 128.283 4.711 16.867 187 H ASP 25 HN ASP 25 129.003 0.565 16.619 188 HA ASP 25 HA ASP 25 130.987 -1.464 16.282 189 1HB ASP 25 HB2 ASP 25 128.851 -1.702 17.593 190 2HB ASP 25 HB1 ASP 25 127.983 -1.807 16.060 191 H ASP 26 HN ASP 26 128.489 -0.208 14.089 192 HA ASP 26 HA ASP 26 128.968 -2.107 11.979 193 1HB ASP 26 HB2 ASP 26 126.955 -0.520 12.289 194 2HB ASP 26 HB1 ASP 26 127.979 0.713 11.553 195 H LEU 27 HN LEU 27 130.484 0.919 12.911 196 HA LEU 27 HA LEU 27 131.884 1.434 10.462 197 1HB LEU 27 HB2 LEU 27 132.252 2.249 13.330 198 2HB LEU 27 HB1 LEU 27 133.524 2.601 12.160 199 HG LEU 27 HG LEU 27 130.649 3.309 11.589 200 1HD1 LEU 27 HD11 LEU 27 132.690 4.804 13.235 201 2HD1 LEU 27 HD13 LEU 27 131.417 5.656 12.360 202 3HD1 LEU 27 HD12 LEU 27 130.996 4.486 13.611 203 1HD2 LEU 27 HD21 LEU 27 133.374 4.084 10.555 204 2HD2 LEU 27 HD23 LEU 27 131.978 3.499 9.650 205 3HD2 LEU 27 HD22 LEU 27 131.984 5.139 10.300 206 H HIS 28 HN HIS 28 132.532 -0.674 13.201 207 HA HIS 28 HA HIS 28 135.290 -1.228 12.532 208 1HB HIS 28 HB2 HIS 28 133.314 -2.916 14.098 209 2HB HIS 28 HB1 HIS 28 135.069 -3.098 14.107 210 HD1 HIS 28 HD1 HIS 28 135.867 -0.109 14.274 211 HD2 HIS 28 HD2 HIS 28 132.929 -1.863 16.657 212 HE1 HIS 28 HE1 HIS 28 135.653 1.347 16.335 213 H TYR 29 HN TYR 29 132.201 -2.513 11.476 214 HA TYR 29 HA TYR 29 133.365 -4.873 10.197 215 1HB TYR 29 HB2 TYR 29 130.963 -4.648 11.074 216 2HB TYR 29 HB1 TYR 29 130.645 -3.677 9.637 217 HD1 TYR 29 HD2 TYR 29 132.486 -6.861 10.424 218 HD2 TYR 29 HD1 TYR 29 129.677 -4.841 7.877 219 HE1 TYR 29 HE2 TYR 29 132.213 -8.930 9.084 220 HE2 TYR 29 HE1 TYR 29 129.404 -6.909 6.537 221 HH TYR 29 HH TYR 29 129.709 -9.442 6.986 222 H PHE 30 HN PHE 30 132.507 -1.592 9.274 223 HA PHE 30 HA PHE 30 132.629 -1.964 6.424 224 1HB PHE 30 HB2 PHE 30 131.624 0.029 7.576 225 2HB PHE 30 HB1 PHE 30 133.254 0.550 8.003 226 HD1 PHE 30 HD1 PHE 30 131.127 -0.381 5.067 227 HD2 PHE 30 HD2 PHE 30 134.534 1.816 6.488 228 HE1 PHE 30 HE1 PHE 30 131.375 0.679 2.838 229 HE2 PHE 30 HE2 PHE 30 134.782 2.876 4.260 230 HZ PHE 30 HZ PHE 30 133.202 2.307 2.435 231 H ARG 31 HN ARG 31 135.055 -1.026 8.852 232 HA ARG 31 HA ARG 31 137.195 -0.533 7.022 233 1HB ARG 31 HB2 ARG 31 137.190 0.122 9.440 234 2HB ARG 31 HB1 ARG 31 137.395 -1.578 9.863 235 1HG ARG 31 HG2 ARG 31 139.425 -1.418 8.165 236 2HG ARG 31 HG1 ARG 31 139.335 0.298 8.564 237 1HD ARG 31 HD2 ARG 31 139.906 -0.044 10.783 238 2HD ARG 31 HD1 ARG 31 139.260 -1.685 10.804 239 HE ARG 31 HE ARG 31 141.433 -1.749 9.033 240 1HH1 ARG 31 HH11 ARG 31 140.896 -0.995 12.406 241 2HH1 ARG 31 HH12 ARG 31 142.483 -1.493 12.874 242 1HH2 ARG 31 HH21 ARG 31 143.478 -2.384 9.684 243 2HH2 ARG 31 HH22 ARG 31 143.931 -2.272 11.352 244 H ALA 32 HN ALA 32 135.954 -3.499 8.480 245 HA ALA 32 HA ALA 32 138.197 -5.128 7.562 246 1HB ALA 32 HB1 ALA 32 135.466 -5.832 8.666 247 2HB ALA 32 HB3 ALA 32 136.682 -7.035 8.236 248 3HB ALA 32 HB2 ALA 32 137.008 -5.873 9.522 249 H GLN 33 HN GLN 33 135.102 -4.123 6.266 250 HA GLN 33 HA GLN 33 135.333 -6.087 4.046 251 1HB GLN 33 HB2 GLN 33 133.122 -4.118 4.711 252 2HB GLN 33 HB1 GLN 33 133.064 -5.338 3.438 253 1HG GLN 33 HG2 GLN 33 133.671 -6.167 6.262 254 2HG GLN 33 HG1 GLN 33 132.000 -5.874 5.776 255 1HE2 GLN 33 HE22 GLN 33 133.209 -9.463 5.044 256 2HE2 GLN 33 HE21 GLN 33 133.493 -8.486 6.403 257 H THR 34 HN THR 34 137.207 -3.825 4.277 258 HA THR 34 HA THR 34 136.770 -2.706 1.578 259 HB THR 34 HB THR 34 137.230 -0.383 2.393 260 HG1 THR 34 HG1 THR 34 136.771 -1.594 4.916 261 1HG2 THR 34 HG21 THR 34 134.921 -1.196 1.942 262 2HG2 THR 34 HG23 THR 34 134.788 -1.678 3.633 263 3HG2 THR 34 HG22 THR 34 134.968 0.025 3.214 264 H VAL 35 HN VAL 35 138.867 -2.616 4.474 265 HA VAL 35 HA VAL 35 141.262 -1.854 3.146 266 HB VAL 35 HB VAL 35 142.423 -2.875 5.102 267 1HG1 VAL 35 HG11 VAL 35 141.261 -0.615 5.154 268 2HG1 VAL 35 HG13 VAL 35 139.914 -1.414 5.956 269 3HG1 VAL 35 HG12 VAL 35 141.498 -1.373 6.727 270 1HG2 VAL 35 HG23 VAL 35 139.748 -4.161 5.374 271 2HG2 VAL 35 HG22 VAL 35 141.343 -4.788 5.788 272 3HG2 VAL 35 HG21 VAL 35 140.535 -3.651 6.867 273 H GLY 36 HN GLY 36 142.487 -2.939 1.693 274 1HA GLY 36 HA2 GLY 36 143.715 -4.895 0.951 275 2HA GLY 36 HA1 GLY 36 142.531 -5.912 1.772 276 H LYS 37 HN LYS 37 140.312 -4.184 0.595 277 HA LYS 37 HA LYS 37 140.360 -5.413 -2.130 278 1HB LYS 37 HB2 LYS 37 137.974 -4.666 -0.410 279 2HB LYS 37 HB1 LYS 37 137.907 -5.453 -1.988 280 1HG LYS 37 HG2 LYS 37 138.601 -7.479 -1.161 281 2HG LYS 37 HG1 LYS 37 139.620 -6.743 0.077 282 1HD LYS 37 HD2 LYS 37 137.871 -7.636 1.352 283 2HD LYS 37 HD1 LYS 37 137.346 -5.969 1.119 284 1HE LYS 37 HE2 LYS 37 136.063 -6.760 -0.916 285 2HE LYS 37 HE1 LYS 37 136.434 -8.411 -0.421 286 1HZ LYS 37 HZ3 LYS 37 135.108 -6.439 1.351 287 2HZ LYS 37 HZ2 LYS 37 134.254 -7.535 0.372 288 3HZ LYS 37 HZ1 LYS 37 135.275 -8.108 1.604 289 H ILE 38 HN ILE 38 138.432 -4.073 -3.425 290 HA ILE 38 HA ILE 38 139.493 -1.294 -3.511 291 HB ILE 38 HB ILE 38 137.726 -2.737 -5.512 292 1HG1 ILE 38 HG12 ILE 38 140.690 -2.201 -5.768 293 2HG1 ILE 38 HG11 ILE 38 140.081 -3.698 -5.063 294 1HG2 ILE 38 HG23 ILE 38 139.284 -0.141 -5.561 295 2HG2 ILE 38 HG22 ILE 38 138.668 -0.918 -7.019 296 3HG2 ILE 38 HG21 ILE 38 137.547 -0.358 -5.778 297 1HD1 ILE 38 HD13 ILE 38 139.020 -2.761 -7.714 298 2HD1 ILE 38 HD12 ILE 38 140.567 -3.604 -7.638 299 3HD1 ILE 38 HD11 ILE 38 139.100 -4.399 -7.067 300 H MET 39 HN MET 39 138.268 0.341 -2.717 301 HA MET 39 HA MET 39 135.469 -0.228 -1.929 302 1HB MET 39 HB2 MET 39 137.201 0.914 -0.406 303 2HB MET 39 HB1 MET 39 136.991 2.334 -1.433 304 1HG MET 39 HG2 MET 39 134.714 2.567 -0.847 305 2HG MET 39 HG1 MET 39 134.616 0.921 -0.223 306 1HE MET 39 HE2 MET 39 136.453 4.026 -0.233 307 2HE MET 39 HE1 MET 39 135.595 4.781 1.108 308 3HE MET 39 HE3 MET 39 137.252 4.200 1.328 309 H VAL 40 HN VAL 40 133.726 0.692 -2.939 310 HA VAL 40 HA VAL 40 134.301 2.612 -5.163 311 HB VAL 40 HB VAL 40 132.003 0.641 -4.971 312 1HG1 VAL 40 HG12 VAL 40 131.705 2.763 -6.332 313 2HG1 VAL 40 HG11 VAL 40 133.034 2.208 -7.349 314 3HG1 VAL 40 HG13 VAL 40 131.547 1.265 -7.249 315 1HG2 VAL 40 HG21 VAL 40 134.725 0.487 -6.259 316 2HG2 VAL 40 HG23 VAL 40 133.892 -0.729 -5.291 317 3HG2 VAL 40 HG22 VAL 40 133.362 -0.401 -6.941 318 H VAL 41 HN VAL 41 133.652 4.611 -4.542 319 HA VAL 41 HA VAL 41 131.012 4.860 -3.165 320 HB VAL 41 HB VAL 41 131.988 6.778 -1.874 321 1HG1 VAL 41 HG11 VAL 41 133.107 3.989 -1.582 322 2HG1 VAL 41 HG13 VAL 41 133.478 5.258 -0.415 323 3HG1 VAL 41 HG12 VAL 41 131.808 4.749 -0.663 324 1HG2 VAL 41 HG21 VAL 41 133.939 6.906 -3.635 325 2HG2 VAL 41 HG23 VAL 41 134.270 7.287 -1.946 326 3HG2 VAL 41 HG22 VAL 41 134.703 5.705 -2.594 327 H GLY 42 HN GLY 42 129.899 6.865 -3.629 328 1HA GLY 42 HA2 GLY 42 130.549 7.916 -6.309 329 2HA GLY 42 HA1 GLY 42 129.069 8.236 -5.402 330 H ARG 43 HN ARG 43 129.465 10.523 -6.001 331 HA ARG 43 HA ARG 43 131.779 11.877 -4.811 332 1HB ARG 43 HB2 ARG 43 130.630 12.585 -6.970 333 2HB ARG 43 HB1 ARG 43 129.292 13.155 -5.973 334 1HG ARG 43 HG2 ARG 43 130.687 14.743 -4.846 335 2HG ARG 43 HG1 ARG 43 132.152 14.036 -5.528 336 1HD ARG 43 HD2 ARG 43 131.705 16.001 -6.819 337 2HD ARG 43 HD1 ARG 43 131.220 14.636 -7.824 338 HE ARG 43 HE ARG 43 128.963 15.506 -6.307 339 1HH1 ARG 43 HH21 ARG 43 131.016 16.538 -8.944 340 2HH1 ARG 43 HH22 ARG 43 129.767 17.480 -9.680 341 1HH2 ARG 43 HH11 ARG 43 127.377 16.737 -7.294 342 2HH2 ARG 43 HH12 ARG 43 127.729 17.593 -8.758 343 H ARG 44 HN ARG 44 128.320 11.523 -4.129 344 HA ARG 44 HA ARG 44 128.259 13.397 -1.936 345 1HB ARG 44 HB2 ARG 44 126.252 12.508 -3.218 346 2HB ARG 44 HB1 ARG 44 126.445 11.002 -2.320 347 1HG ARG 44 HG2 ARG 44 126.380 12.443 -0.197 348 2HG ARG 44 HG1 ARG 44 125.801 13.748 -1.234 349 1HD ARG 44 HD2 ARG 44 124.118 11.841 -2.056 350 2HD ARG 44 HD1 ARG 44 124.441 11.211 -0.441 351 HE ARG 44 HE ARG 44 123.188 12.995 0.442 352 1HH1 ARG 44 HH21 ARG 44 124.139 13.715 -2.846 353 2HH1 ARG 44 HH22 ARG 44 123.198 15.163 -2.907 354 1HH2 ARG 44 HH11 ARG 44 121.984 14.877 0.318 355 2HH2 ARG 44 HH12 ARG 44 121.991 15.816 -1.137 356 H THR 45 HN THR 45 129.084 9.993 -2.227 357 HA THR 45 HA THR 45 129.150 9.601 0.689 358 HB THR 45 HB THR 45 130.303 7.723 -1.374 359 HG1 THR 45 HG1 THR 45 128.378 7.544 -2.150 360 1HG2 THR 45 HG21 THR 45 130.609 7.339 1.102 361 2HG2 THR 45 HG23 THR 45 128.855 7.199 1.232 362 3HG2 THR 45 HG22 THR 45 129.764 6.039 0.262 363 H TYR 46 HN TYR 46 131.385 10.289 -1.936 364 HA TYR 46 HA TYR 46 133.823 9.684 -0.559 365 1HB TYR 46 HB2 TYR 46 133.541 10.159 -3.045 366 2HB TYR 46 HB1 TYR 46 133.453 11.869 -2.621 367 HD1 TYR 46 HD1 TYR 46 135.566 8.929 -1.598 368 HD2 TYR 46 HD2 TYR 46 135.450 13.019 -2.907 369 HE1 TYR 46 HE1 TYR 46 138.042 9.032 -1.498 370 HE2 TYR 46 HE2 TYR 46 137.925 13.122 -2.805 371 HH TYR 46 HH TYR 46 139.777 11.229 -1.168 372 H GLU 47 HN GLU 47 132.015 12.743 -0.914 373 HA GLU 47 HA GLU 47 133.803 14.230 0.815 374 1HB GLU 47 HB2 GLU 47 130.964 14.805 -0.088 375 2HB GLU 47 HB1 GLU 47 132.004 15.954 0.756 376 1HG GLU 47 HG2 GLU 47 133.592 15.965 -1.056 377 2HG GLU 47 HG1 GLU 47 132.770 14.624 -1.855 378 H SER 48 HN SER 48 131.070 12.135 1.361 379 HA SER 48 HA SER 48 130.204 13.135 3.890 380 1HB SER 48 HB2 SER 48 128.883 11.490 2.669 381 2HB SER 48 HB1 SER 48 130.187 10.312 2.781 382 HG SER 48 HG SER 48 128.354 10.299 4.400 383 H PHE 49 HN PHE 49 132.978 11.197 2.968 384 HA PHE 49 HA PHE 49 133.573 10.197 5.613 385 1HB PHE 49 HB2 PHE 49 135.551 10.678 3.368 386 2HB PHE 49 HB1 PHE 49 135.710 9.541 4.705 387 HD1 PHE 49 HD2 PHE 49 133.116 8.223 4.842 388 HD2 PHE 49 HD1 PHE 49 135.370 9.446 1.394 389 HE1 PHE 49 HE2 PHE 49 131.985 6.483 3.485 390 HE2 PHE 49 HE1 PHE 49 134.239 7.703 0.039 391 HZ PHE 49 HZ PHE 49 132.547 6.222 1.084 392 HA PRO 50 HA PRO 50 135.390 13.890 7.344 393 1HB PRO 50 HB2 PRO 50 136.829 12.629 9.371 394 2HB PRO 50 HB1 PRO 50 135.128 13.104 9.462 395 1HG PRO 50 HG2 PRO 50 136.254 10.453 9.342 396 2HG PRO 50 HG1 PRO 50 134.568 10.933 9.583 397 1HD PRO 50 HD2 PRO 50 135.832 9.907 7.182 398 2HD PRO 50 HD1 PRO 50 134.116 10.212 7.493 399 H LYS 51 HN LYS 51 137.671 11.120 7.331 400 HA LYS 51 HA LYS 51 139.856 12.997 6.583 401 1HB LYS 51 HB2 LYS 51 140.035 11.277 8.505 402 2HB LYS 51 HB1 LYS 51 140.175 10.065 7.230 403 1HG LYS 51 HG2 LYS 51 142.056 11.463 6.256 404 2HG LYS 51 HG1 LYS 51 142.002 12.426 7.732 405 1HD LYS 51 HD2 LYS 51 142.403 9.422 7.670 406 2HD LYS 51 HD1 LYS 51 143.710 10.596 7.821 407 1HE LYS 51 HE2 LYS 51 142.168 11.505 9.801 408 2HE LYS 51 HE1 LYS 51 141.608 9.833 9.802 409 1HZ LYS 51 HZ1 LYS 51 144.078 9.255 9.787 410 2HZ LYS 51 HZ3 LYS 51 144.337 10.863 10.259 411 3HZ LYS 51 HZ2 LYS 51 143.412 9.830 11.240 412 H ARG 52 HN ARG 52 140.140 13.217 4.419 413 HA ARG 52 HA ARG 52 139.841 10.775 2.715 414 1HB ARG 52 HB2 ARG 52 139.320 13.640 1.871 415 2HB ARG 52 HB1 ARG 52 139.041 12.188 0.909 416 1HG ARG 52 HG2 ARG 52 137.272 11.462 2.342 417 2HG ARG 52 HG1 ARG 52 137.690 12.653 3.575 418 1HD ARG 52 HD2 ARG 52 136.971 13.592 0.817 419 2HD ARG 52 HD1 ARG 52 135.686 13.122 1.930 420 HE ARG 52 HE ARG 52 137.262 14.833 3.431 421 1HH1 ARG 52 HH21 ARG 52 135.656 15.051 0.331 422 2HH1 ARG 52 HH22 ARG 52 135.422 16.759 0.460 423 1HH2 ARG 52 HH11 ARG 52 136.937 17.043 3.556 424 2HH2 ARG 52 HH12 ARG 52 136.138 17.877 2.265 425 HA PRO 53 HA PRO 53 140.309 10.167 0.640 426 1HB PRO 53 HB2 PRO 53 142.394 8.458 -0.186 427 2HB PRO 53 HB1 PRO 53 141.544 9.642 -1.188 428 1HG PRO 53 HG2 PRO 53 144.256 9.713 -0.309 429 2HG PRO 53 HG1 PRO 53 143.393 10.910 -1.285 430 1HD PRO 53 HD2 PRO 53 144.107 11.017 1.546 431 2HD PRO 53 HD1 PRO 53 143.547 12.317 0.482 432 H LEU 54 HN LEU 54 140.166 7.695 0.983 433 HA LEU 54 HA LEU 54 140.765 7.147 3.818 434 1HB LEU 54 HB2 LEU 54 139.048 5.842 1.717 435 2HB LEU 54 HB1 LEU 54 139.434 4.997 3.214 436 HG LEU 54 HG LEU 54 138.194 7.758 3.082 437 1HD1 LEU 54 HD11 LEU 54 136.981 5.020 3.536 438 2HD1 LEU 54 HD13 LEU 54 136.157 6.526 3.940 439 3HD1 LEU 54 HD12 LEU 54 136.575 6.173 2.264 440 1HD2 LEU 54 HD23 LEU 54 138.956 5.863 5.301 441 2HD2 LEU 54 HD22 LEU 54 139.314 7.583 5.152 442 3HD2 LEU 54 HD21 LEU 54 137.676 7.054 5.535 443 HA PRO 55 HA PRO 55 144.367 4.771 2.385 444 1HB PRO 55 HB2 PRO 55 145.358 4.432 4.986 445 2HB PRO 55 HB1 PRO 55 145.790 5.733 3.869 446 1HG PRO 55 HG2 PRO 55 144.297 5.916 6.303 447 2HG PRO 55 HG1 PRO 55 144.751 7.217 5.194 448 1HD PRO 55 HD2 PRO 55 142.166 5.897 5.517 449 2HD PRO 55 HD1 PRO 55 142.559 7.394 4.656 450 H GLU 56 HN GLU 56 145.398 2.637 3.347 451 HA GLU 56 HA GLU 56 145.188 0.431 4.117 452 1HB GLU 56 HB2 GLU 56 142.343 1.011 4.956 453 2HB GLU 56 HB1 GLU 56 143.403 -0.274 5.527 454 1HG GLU 56 HG2 GLU 56 144.959 1.693 6.276 455 2HG GLU 56 HG1 GLU 56 143.490 2.664 6.159 456 H ARG 57 HN ARG 57 143.180 1.896 1.774 457 HA ARG 57 HA ARG 57 143.058 -0.569 0.269 458 1HB ARG 57 HB2 ARG 57 140.383 -0.114 0.057 459 2HB ARG 57 HB1 ARG 57 141.085 -1.319 1.125 460 1HG ARG 57 HG2 ARG 57 139.535 -0.094 2.455 461 2HG ARG 57 HG1 ARG 57 141.121 0.498 2.929 462 1HD ARG 57 HD2 ARG 57 140.632 2.238 0.951 463 2HD ARG 57 HD1 ARG 57 138.965 1.872 1.397 464 HE ARG 57 HE ARG 57 140.818 3.447 2.952 465 1HH1 ARG 57 HH11 ARG 57 138.201 1.142 3.225 466 2HH1 ARG 57 HH12 ARG 57 137.752 1.687 4.803 467 1HH2 ARG 57 HH21 ARG 57 140.201 4.119 4.992 468 2HH2 ARG 57 HH22 ARG 57 138.868 3.356 5.792 469 H THR 58 HN THR 58 142.049 -0.192 -1.896 470 HA THR 58 HA THR 58 142.927 2.346 -2.956 471 HB THR 58 HB THR 58 141.184 0.270 -4.310 472 HG1 THR 58 HG1 THR 58 143.198 -0.553 -5.021 473 1HG2 THR 58 HG22 THR 58 141.424 2.521 -5.404 474 2HG2 THR 58 HG21 THR 58 143.166 2.250 -5.460 475 3HG2 THR 58 HG23 THR 58 142.081 1.192 -6.359 476 H ASN 59 HN ASN 59 141.677 4.043 -3.815 477 HA ASN 59 HA ASN 59 138.870 4.162 -2.797 478 1HB ASN 59 HB2 ASN 59 140.497 6.541 -3.703 479 2HB ASN 59 HB1 ASN 59 139.089 6.520 -2.646 480 1HD2 ASN 59 HD22 ASN 59 141.383 4.841 -0.085 481 2HD2 ASN 59 HD21 ASN 59 140.124 4.208 -1.030 482 H VAL 60 HN VAL 60 137.274 4.135 -4.312 483 HA VAL 60 HA VAL 60 138.003 4.879 -7.119 484 HB VAL 60 HB VAL 60 135.960 2.810 -6.256 485 1HG1 VAL 60 HG13 VAL 60 135.598 4.007 -8.450 486 2HG1 VAL 60 HG12 VAL 60 137.155 3.374 -8.984 487 3HG1 VAL 60 HG11 VAL 60 135.835 2.267 -8.608 488 1HG2 VAL 60 HG23 VAL 60 138.833 2.585 -7.170 489 2HG2 VAL 60 HG22 VAL 60 138.090 1.885 -5.732 490 3HG2 VAL 60 HG21 VAL 60 137.698 1.245 -7.328 491 H VAL 61 HN VAL 61 137.138 6.918 -7.281 492 HA VAL 61 HA VAL 61 134.422 7.421 -6.181 493 HB VAL 61 HB VAL 61 136.365 9.373 -7.453 494 1HG1 VAL 61 HG13 VAL 61 133.846 9.701 -5.799 495 2HG1 VAL 61 HG12 VAL 61 134.954 11.021 -6.172 496 3HG1 VAL 61 HG11 VAL 61 134.090 10.201 -7.473 497 1HG2 VAL 61 HG23 VAL 61 135.891 8.629 -4.549 498 2HG2 VAL 61 HG22 VAL 61 137.385 8.415 -5.462 499 3HG2 VAL 61 HG21 VAL 61 136.815 10.038 -5.072 500 H LEU 62 HN LEU 62 132.670 7.561 -7.511 501 HA LEU 62 HA LEU 62 133.162 7.802 -10.453 502 1HB LEU 62 HB2 LEU 62 132.541 5.458 -9.697 503 2HB LEU 62 HB1 LEU 62 130.983 6.115 -9.195 504 HG LEU 62 HG LEU 62 130.803 7.057 -11.583 505 1HD1 LEU 62 HD13 LEU 62 133.144 5.164 -11.835 506 2HD1 LEU 62 HD12 LEU 62 132.120 5.561 -13.215 507 3HD1 LEU 62 HD11 LEU 62 133.025 6.832 -12.393 508 1HD2 LEU 62 HD21 LEU 62 129.644 4.982 -10.592 509 2HD2 LEU 62 HD23 LEU 62 129.763 5.057 -12.350 510 3HD2 LEU 62 HD22 LEU 62 130.872 4.037 -11.434 511 H THR 63 HN THR 63 132.226 9.642 -11.171 512 HA THR 63 HA THR 63 129.534 10.381 -10.162 513 HB THR 63 HB THR 63 131.030 11.681 -8.749 514 HG1 THR 63 HG1 THR 63 129.305 12.870 -9.385 515 1HG2 THR 63 HG23 THR 63 132.372 12.279 -11.378 516 2HG2 THR 63 HG22 THR 63 132.556 13.364 -10.000 517 3HG2 THR 63 HG21 THR 63 133.094 11.689 -9.880 518 H HIS 64 HN HIS 64 128.852 12.479 -11.523 519 HA HIS 64 HA HIS 64 129.418 11.786 -14.365 520 1HB HIS 64 HB2 HIS 64 127.132 13.183 -12.975 521 2HB HIS 64 HB1 HIS 64 127.360 13.320 -14.719 522 HD1 HIS 64 HD1 HIS 64 128.057 10.612 -15.653 523 HD2 HIS 64 HD2 HIS 64 125.304 11.161 -12.571 524 HE1 HIS 64 HE1 HIS 64 126.656 8.504 -15.560 525 H GLN 65 HN GLN 65 131.233 13.404 -12.669 526 HA GLN 65 HA GLN 65 131.052 16.013 -14.123 527 1HB GLN 65 HB2 GLN 65 130.941 16.003 -11.556 528 2HB GLN 65 HB1 GLN 65 132.635 15.515 -11.596 529 1HG GLN 65 HG2 GLN 65 132.652 17.898 -11.427 530 2HG GLN 65 HG1 GLN 65 133.041 17.533 -13.109 531 1HE2 GLN 65 HE22 GLN 65 130.418 19.653 -14.119 532 2HE2 GLN 65 HE21 GLN 65 132.052 19.217 -14.270 533 H GLU 66 HN GLU 66 133.000 16.828 -15.053 534 HA GLU 66 HA GLU 66 135.195 14.807 -15.304 535 1HB GLU 66 HB2 GLU 66 134.073 16.714 -17.377 536 2HB GLU 66 HB1 GLU 66 135.570 15.806 -17.593 537 1HG GLU 66 HG2 GLU 66 134.453 13.728 -17.593 538 2HG GLU 66 HG1 GLU 66 133.003 14.409 -16.854 539 H ASP 67 HN ASP 67 135.001 16.949 -13.338 540 HA ASP 67 HA ASP 67 137.534 18.333 -13.994 541 1HB ASP 67 HB2 ASP 67 134.898 19.698 -13.479 542 2HB ASP 67 HB1 ASP 67 136.413 20.486 -13.035 543 H TYR 68 HN TYR 68 136.685 16.222 -12.114 544 HA TYR 68 HA TYR 68 136.741 17.536 -9.469 545 1HB TYR 68 HB2 TYR 68 135.366 15.436 -10.059 546 2HB TYR 68 HB1 TYR 68 136.899 14.566 -9.999 547 HD1 TYR 68 HD1 TYR 68 135.042 17.133 -7.978 548 HD2 TYR 68 HD2 TYR 68 137.478 13.596 -7.966 549 HE1 TYR 68 HE1 TYR 68 134.892 17.039 -5.505 550 HE2 TYR 68 HE2 TYR 68 137.328 13.501 -5.492 551 HH TYR 68 HH TYR 68 135.121 14.956 -3.729 552 H GLN 69 HN GLN 69 138.398 16.812 -7.862 553 HA GLN 69 HA GLN 69 140.950 15.871 -9.052 554 1HB GLN 69 HB2 GLN 69 140.505 18.524 -7.681 555 2HB GLN 69 HB1 GLN 69 142.094 17.757 -7.699 556 1HG GLN 69 HG2 GLN 69 141.950 17.627 -10.194 557 2HG GLN 69 HG1 GLN 69 140.437 18.531 -10.117 558 1HE2 GLN 69 HE22 GLN 69 143.909 20.539 -9.973 559 2HE2 GLN 69 HE21 GLN 69 143.811 18.892 -10.372 560 H ALA 70 HN ALA 70 142.245 14.763 -7.562 561 HA ALA 70 HA ALA 70 141.769 14.881 -4.697 562 1HB ALA 70 HB2 ALA 70 139.830 13.487 -5.576 563 2HB ALA 70 HB1 ALA 70 141.024 12.291 -6.078 564 3HB ALA 70 HB3 ALA 70 140.840 12.690 -4.370 565 H GLN 71 HN GLN 71 143.890 14.836 -4.123 566 HA GLN 71 HA GLN 71 145.855 13.278 -5.636 567 1HB GLN 71 HB2 GLN 71 146.004 15.030 -3.177 568 2HB GLN 71 HB1 GLN 71 147.394 14.111 -3.754 569 1HG GLN 71 HG2 GLN 71 147.711 16.119 -4.881 570 2HG GLN 71 HG1 GLN 71 146.769 15.219 -6.071 571 1HE2 GLN 71 HE22 GLN 71 144.926 18.247 -3.980 572 2HE2 GLN 71 HE21 GLN 71 146.296 17.498 -3.315 573 H GLY 72 HN GLY 72 145.596 11.084 -5.349 574 1HA GLY 72 HA2 GLY 72 146.511 9.317 -3.781 575 2HA GLY 72 HA1 GLY 72 145.538 10.085 -2.527 576 H ALA 73 HN ALA 73 143.246 10.584 -4.252 577 HA ALA 73 HA ALA 73 142.114 7.846 -4.220 578 1HB ALA 73 HB2 ALA 73 140.811 10.561 -4.592 579 2HB ALA 73 HB1 ALA 73 139.941 9.028 -4.530 580 3HB ALA 73 HB3 ALA 73 140.819 9.602 -3.112 581 H VAL 74 HN VAL 74 140.783 7.139 -6.085 582 HA VAL 74 HA VAL 74 142.057 7.965 -8.640 583 HB VAL 74 HB VAL 74 140.219 5.616 -8.092 584 1HG1 VAL 74 HG13 VAL 74 141.858 6.559 -10.428 585 2HG1 VAL 74 HG12 VAL 74 141.584 4.831 -10.199 586 3HG1 VAL 74 HG11 VAL 74 140.214 5.921 -10.408 587 1HG2 VAL 74 HG21 VAL 74 142.352 5.573 -6.762 588 2HG2 VAL 74 HG23 VAL 74 142.234 4.263 -7.936 589 3HG2 VAL 74 HG22 VAL 74 143.247 5.665 -8.278 590 H VAL 75 HN VAL 75 140.936 9.140 -10.123 591 HA VAL 75 HA VAL 75 138.038 9.626 -9.601 592 HB VAL 75 HB VAL 75 139.948 11.228 -11.329 593 1HG1 VAL 75 HG13 VAL 75 137.424 11.325 -11.750 594 2HG1 VAL 75 HG12 VAL 75 137.287 12.051 -10.149 595 3HG1 VAL 75 HG11 VAL 75 138.213 12.865 -11.409 596 1HG2 VAL 75 HG22 VAL 75 139.083 11.539 -8.443 597 2HG2 VAL 75 HG21 VAL 75 140.728 11.418 -9.069 598 3HG2 VAL 75 HG23 VAL 75 139.770 12.866 -9.380 599 H VAL 76 HN VAL 76 136.748 8.375 -10.856 600 HA VAL 76 HA VAL 76 137.534 7.980 -13.714 601 HB VAL 76 HB VAL 76 136.472 5.711 -13.562 602 1HG1 VAL 76 HG12 VAL 76 138.844 6.393 -11.815 603 2HG1 VAL 76 HG11 VAL 76 138.348 4.728 -12.118 604 3HG1 VAL 76 HG13 VAL 76 138.853 5.756 -13.459 605 1HG2 VAL 76 HG22 VAL 76 136.439 6.414 -10.610 606 2HG2 VAL 76 HG21 VAL 76 135.040 6.070 -11.626 607 3HG2 VAL 76 HG23 VAL 76 136.188 4.787 -11.243 608 H HIS 77 HN HIS 77 135.655 7.599 -15.141 609 HA HIS 77 HA HIS 77 133.024 8.403 -14.027 610 1HB HIS 77 HB2 HIS 77 134.296 9.788 -16.409 611 2HB HIS 77 HB1 HIS 77 132.712 10.137 -15.716 612 HD1 HIS 77 HD1 HIS 77 136.074 11.330 -15.612 613 HD2 HIS 77 HD2 HIS 77 133.085 10.848 -12.746 614 HE1 HIS 77 HE1 HIS 77 136.714 12.806 -13.655 615 H ASP 78 HN ASP 78 134.034 5.883 -15.040 616 HA ASP 78 HA ASP 78 132.030 5.450 -17.171 617 1HB ASP 78 HB2 ASP 78 134.302 5.969 -18.236 618 2HB ASP 78 HB1 ASP 78 134.860 4.447 -17.540 619 H VAL 79 HN VAL 79 131.037 3.490 -16.898 620 HA VAL 79 HA VAL 79 131.520 1.922 -14.558 621 HB VAL 79 HB VAL 79 130.080 1.056 -17.083 622 1HG1 VAL 79 HG13 VAL 79 130.612 -0.686 -15.329 623 2HG1 VAL 79 HG12 VAL 79 129.637 0.250 -14.196 624 3HG1 VAL 79 HG11 VAL 79 128.890 -0.457 -15.628 625 1HG2 VAL 79 HG22 VAL 79 129.312 2.867 -14.812 626 2HG2 VAL 79 HG21 VAL 79 128.964 3.032 -16.533 627 3HG2 VAL 79 HG23 VAL 79 128.077 1.857 -15.563 628 H ALA 80 HN ALA 80 132.447 1.441 -17.961 629 HA ALA 80 HA ALA 80 133.638 -1.142 -17.608 630 1HB ALA 80 HB2 ALA 80 134.129 1.058 -19.632 631 2HB ALA 80 HB1 ALA 80 134.908 -0.522 -19.720 632 3HB ALA 80 HB3 ALA 80 133.153 -0.396 -19.842 633 H ALA 81 HN ALA 81 134.827 2.136 -17.114 634 HA ALA 81 HA ALA 81 137.615 1.523 -16.904 635 1HB ALA 81 HB3 ALA 81 135.895 3.726 -15.752 636 2HB ALA 81 HB2 ALA 81 137.630 3.642 -15.447 637 3HB ALA 81 HB1 ALA 81 137.032 3.822 -17.096 638 H VAL 82 HN VAL 82 135.065 1.761 -14.411 639 HA VAL 82 HA VAL 82 136.756 1.056 -12.205 640 HB VAL 82 HB VAL 82 133.777 0.557 -12.484 641 1HG1 VAL 82 HG13 VAL 82 135.720 0.694 -10.185 642 2HG1 VAL 82 HG12 VAL 82 134.014 1.067 -9.938 643 3HG1 VAL 82 HG11 VAL 82 134.492 -0.527 -10.523 644 1HG2 VAL 82 HG21 VAL 82 135.343 3.024 -11.677 645 2HG2 VAL 82 HG23 VAL 82 134.180 2.878 -12.995 646 3HG2 VAL 82 HG22 VAL 82 133.629 2.809 -11.321 647 H PHE 83 HN PHE 83 134.980 -0.848 -14.574 648 HA PHE 83 HA PHE 83 135.262 -3.378 -13.188 649 1HB PHE 83 HB2 PHE 83 134.361 -2.463 -15.872 650 2HB PHE 83 HB1 PHE 83 134.953 -4.122 -15.773 651 HD1 PHE 83 HD2 PHE 83 132.954 -1.885 -13.507 652 HD2 PHE 83 HD1 PHE 83 133.231 -5.664 -15.529 653 HE1 PHE 83 HE2 PHE 83 130.811 -2.592 -12.478 654 HE2 PHE 83 HE1 PHE 83 131.088 -6.372 -14.500 655 HZ PHE 83 HZ PHE 83 129.878 -4.835 -12.974 656 H ALA 84 HN ALA 84 137.047 -1.793 -15.841 657 HA ALA 84 HA ALA 84 138.941 -3.892 -16.259 658 1HB ALA 84 HB2 ALA 84 138.490 -1.795 -17.702 659 2HB ALA 84 HB1 ALA 84 139.581 -0.961 -16.596 660 3HB ALA 84 HB3 ALA 84 140.164 -2.326 -17.548 661 H TYR 85 HN TYR 85 138.871 -1.168 -14.003 662 HA TYR 85 HA TYR 85 141.566 -1.501 -13.033 663 1HB TYR 85 HB2 TYR 85 140.081 0.547 -12.731 664 2HB TYR 85 HB1 TYR 85 139.229 -0.361 -11.483 665 HD1 TYR 85 HD2 TYR 85 142.456 1.166 -12.440 666 HD2 TYR 85 HD1 TYR 85 140.261 -0.854 -9.350 667 HE1 TYR 85 HE2 TYR 85 144.222 1.755 -10.801 668 HE2 TYR 85 HE1 TYR 85 142.027 -0.267 -7.712 669 HH TYR 85 HH TYR 85 143.896 1.836 -7.700 670 H ALA 86 HN ALA 86 138.430 -2.841 -12.088 671 HA ALA 86 HA ALA 86 139.456 -4.167 -9.710 672 1HB ALA 86 HB1 ALA 86 136.993 -3.511 -10.318 673 2HB ALA 86 HB3 ALA 86 136.983 -5.050 -11.179 674 3HB ALA 86 HB2 ALA 86 137.287 -5.013 -9.442 675 H LYS 87 HN LYS 87 138.865 -5.100 -13.079 676 HA LYS 87 HA LYS 87 139.382 -7.903 -12.751 677 1HB LYS 87 HB2 LYS 87 138.356 -6.663 -14.779 678 2HB LYS 87 HB1 LYS 87 140.024 -6.352 -15.259 679 1HG LYS 87 HG2 LYS 87 140.509 -8.738 -15.295 680 2HG LYS 87 HG1 LYS 87 138.897 -9.106 -14.680 681 1HD LYS 87 HD2 LYS 87 137.861 -8.260 -16.693 682 2HD LYS 87 HD1 LYS 87 139.405 -7.647 -17.286 683 1HE LYS 87 HE2 LYS 87 139.017 -10.574 -16.661 684 2HE LYS 87 HE1 LYS 87 138.584 -9.907 -18.235 685 1HZ LYS 87 HZ1 LYS 87 140.906 -8.950 -18.257 686 2HZ LYS 87 HZ3 LYS 87 141.247 -9.971 -16.947 687 3HZ LYS 87 HZ2 LYS 87 140.785 -10.634 -18.441 688 H GLN 88 HN GLN 88 141.475 -5.111 -13.274 689 HA GLN 88 HA GLN 88 143.878 -6.516 -13.909 690 1HB GLN 88 HB2 GLN 88 143.220 -3.899 -13.781 691 2HB GLN 88 HB1 GLN 88 144.087 -4.054 -12.253 692 1HG GLN 88 HG2 GLN 88 145.900 -3.653 -13.603 693 2HG GLN 88 HG1 GLN 88 145.793 -5.397 -13.848 694 1HE2 GLN 88 HE22 GLN 88 144.475 -5.103 -17.175 695 2HE2 GLN 88 HE21 GLN 88 144.521 -6.121 -15.818 696 H HIS 89 HN HIS 89 142.220 -5.963 -10.873 697 HA HIS 89 HA HIS 89 144.522 -7.150 -9.392 698 1HB HIS 89 HB2 HIS 89 142.108 -5.595 -8.421 699 2HB HIS 89 HB1 HIS 89 143.321 -6.310 -7.360 700 HD1 HIS 89 HD1 HIS 89 142.818 -3.184 -7.651 701 HD2 HIS 89 HD2 HIS 89 145.844 -5.337 -9.545 702 HE1 HIS 89 HE1 HIS 89 144.638 -1.516 -8.214 703 HA PRO 90 HA PRO 90 141.714 -10.765 -9.498 704 1HB PRO 90 HB2 PRO 90 143.838 -12.530 -8.938 705 2HB PRO 90 HB1 PRO 90 143.160 -12.167 -10.530 706 1HG PRO 90 HG2 PRO 90 145.734 -11.471 -9.517 707 2HG PRO 90 HG1 PRO 90 145.044 -11.093 -11.101 708 1HD PRO 90 HD2 PRO 90 145.383 -9.352 -8.783 709 2HD PRO 90 HD1 PRO 90 144.997 -8.925 -10.456 710 H ASP 91 HN ASP 91 144.023 -9.743 -7.068 711 HA ASP 91 HA ASP 91 142.792 -11.520 -5.033 712 1HB ASP 91 HB2 ASP 91 145.181 -9.656 -4.948 713 2HB ASP 91 HB1 ASP 91 144.591 -10.555 -3.550 714 H GLN 92 HN GLN 92 141.405 -9.136 -6.281 715 HA GLN 92 HA GLN 92 140.689 -7.811 -3.712 716 1HB GLN 92 HB2 GLN 92 141.229 -6.386 -6.337 717 2HB GLN 92 HB1 GLN 92 140.571 -5.625 -4.888 718 1HG GLN 92 HG2 GLN 92 142.675 -6.570 -3.696 719 2HG GLN 92 HG1 GLN 92 143.326 -6.765 -5.323 720 1HE2 GLN 92 HE22 GLN 92 142.759 -2.982 -3.832 721 2HE2 GLN 92 HE21 GLN 92 141.977 -4.296 -3.096 722 H GLU 93 HN GLU 93 138.520 -6.790 -3.824 723 HA GLU 93 HA GLU 93 136.811 -7.924 -5.999 724 1HB GLU 93 HB2 GLU 93 136.301 -7.927 -3.012 725 2HB GLU 93 HB1 GLU 93 135.036 -8.225 -4.206 726 1HG GLU 93 HG2 GLU 93 137.598 -9.794 -4.319 727 2HG GLU 93 HG1 GLU 93 136.329 -10.264 -3.188 728 H LEU 94 HN LEU 94 134.891 -6.665 -6.444 729 HA LEU 94 HA LEU 94 135.284 -3.790 -5.916 730 1HB LEU 94 HB2 LEU 94 134.559 -4.960 -8.167 731 2HB LEU 94 HB1 LEU 94 132.950 -4.900 -7.445 732 HG LEU 94 HG LEU 94 133.457 -2.411 -6.980 733 1HD1 LEU 94 HD11 LEU 94 135.953 -2.910 -7.655 734 2HD1 LEU 94 HD13 LEU 94 135.352 -2.672 -9.296 735 3HD1 LEU 94 HD12 LEU 94 135.216 -1.374 -8.110 736 1HD2 LEU 94 HD21 LEU 94 133.109 -3.504 -9.788 737 2HD2 LEU 94 HD23 LEU 94 131.833 -3.065 -8.652 738 3HD2 LEU 94 HD22 LEU 94 132.854 -1.812 -9.358 739 H VAL 95 HN VAL 95 134.437 -2.987 -4.062 740 HA VAL 95 HA VAL 95 131.936 -4.207 -2.984 741 HB VAL 95 HB VAL 95 133.885 -2.340 -1.602 742 1HG1 VAL 95 HG13 VAL 95 131.550 -2.411 -0.710 743 2HG1 VAL 95 HG12 VAL 95 131.719 -4.153 -0.495 744 3HG1 VAL 95 HG11 VAL 95 132.735 -3.048 0.430 745 1HG2 VAL 95 HG23 VAL 95 133.674 -5.362 -1.652 746 2HG2 VAL 95 HG22 VAL 95 135.071 -4.375 -2.082 747 3HG2 VAL 95 HG21 VAL 95 134.552 -4.483 -0.400 748 H ILE 96 HN ILE 96 130.089 -3.079 -3.305 749 HA ILE 96 HA ILE 96 130.275 -0.229 -4.118 750 HB ILE 96 HB ILE 96 127.825 -2.010 -4.064 751 1HG1 ILE 96 HG12 ILE 96 129.555 -3.017 -5.508 752 2HG1 ILE 96 HG11 ILE 96 128.239 -2.364 -6.480 753 1HG2 ILE 96 HG22 ILE 96 127.501 0.475 -4.164 754 2HG2 ILE 96 HG21 ILE 96 128.434 0.494 -5.660 755 3HG2 ILE 96 HG23 ILE 96 126.898 -0.369 -5.591 756 1HD1 ILE 96 HD12 ILE 96 129.583 -0.296 -6.855 757 2HD1 ILE 96 HD11 ILE 96 130.913 -1.027 -5.956 758 3HD1 ILE 96 HD13 ILE 96 130.383 -1.738 -7.480 759 H ALA 97 HN ALA 97 130.235 1.166 -2.423 760 HA ALA 97 HA ALA 97 128.739 0.462 0.033 761 1HB ALA 97 HB2 ALA 97 131.050 1.430 0.156 762 2HB ALA 97 HB1 ALA 97 130.421 2.917 -0.553 763 3HB ALA 97 HB3 ALA 97 129.849 2.383 1.028 764 H GLY 98 HN GLY 98 128.828 3.064 -2.413 765 1HA GLY 98 HA2 GLY 98 126.118 3.444 -2.769 766 2HA GLY 98 HA1 GLY 98 126.470 4.379 -1.315 767 H GLY 99 HN GLY 99 127.030 6.940 -3.825 768 1HA GLY 99 HA2 GLY 99 125.342 5.973 -1.645 769 2HA GLY 99 HA1 GLY 99 125.031 7.386 -2.653 770 H ALA 100 HN ALA 100 122.808 6.713 -2.890 771 HA ALA 100 HA ALA 100 122.037 4.158 -3.948 772 1HB ALA 100 HB1 ALA 100 120.709 6.850 -3.742 773 2HB ALA 100 HB3 ALA 100 119.943 5.560 -4.669 774 3HB ALA 100 HB2 ALA 100 120.273 5.335 -2.951 775 H GLN 101 HN GLN 101 123.035 7.186 -5.444 776 HA GLN 101 HA GLN 101 122.195 6.605 -8.118 777 1HB GLN 101 HB2 GLN 101 123.285 8.775 -6.948 778 2HB GLN 101 HB1 GLN 101 124.728 8.115 -7.718 779 1HG GLN 101 HG2 GLN 101 123.905 9.398 -9.460 780 2HG GLN 101 HG1 GLN 101 123.086 7.872 -9.796 781 1HE2 GLN 101 HE22 GLN 101 120.794 11.030 -9.283 782 2HE2 GLN 101 HE21 GLN 101 122.399 11.041 -9.835 783 H ILE 102 HN ILE 102 125.104 5.756 -6.290 784 HA ILE 102 HA ILE 102 126.498 4.619 -8.573 785 HB ILE 102 HB ILE 102 126.937 4.076 -5.622 786 1HG1 ILE 102 HG12 ILE 102 127.001 6.499 -6.104 787 2HG1 ILE 102 HG11 ILE 102 128.612 5.890 -5.735 788 1HG2 ILE 102 HG22 ILE 102 128.449 3.503 -8.141 789 2HG2 ILE 102 HG21 ILE 102 129.363 3.873 -6.679 790 3HG2 ILE 102 HG23 ILE 102 128.251 2.504 -6.701 791 1HD1 ILE 102 HD13 ILE 102 129.035 5.687 -8.204 792 2HD1 ILE 102 HD12 ILE 102 127.479 6.467 -8.489 793 3HD1 ILE 102 HD11 ILE 102 128.770 7.348 -7.672 794 H PHE 103 HN PHE 103 124.376 3.369 -6.030 795 HA PHE 103 HA PHE 103 124.761 0.584 -6.548 796 1HB PHE 103 HB2 PHE 103 122.521 2.195 -5.337 797 2HB PHE 103 HB1 PHE 103 122.333 0.463 -5.603 798 HD1 PHE 103 HD1 PHE 103 124.902 -0.698 -5.013 799 HD2 PHE 103 HD2 PHE 103 122.932 2.593 -3.077 800 HE1 PHE 103 HE1 PHE 103 126.176 -1.157 -2.936 801 HE2 PHE 103 HE2 PHE 103 124.209 2.135 -1.001 802 HZ PHE 103 HZ PHE 103 125.830 0.260 -0.930 803 H THR 104 HN THR 104 122.613 3.001 -7.995 804 HA THR 104 HA THR 104 121.052 1.185 -9.572 805 HB THR 104 HB THR 104 121.758 4.029 -10.331 806 HG1 THR 104 HG1 THR 104 120.911 4.473 -8.463 807 1HG2 THR 104 HG21 THR 104 119.519 2.110 -10.940 808 2HG2 THR 104 HG23 THR 104 119.281 3.851 -11.084 809 3HG2 THR 104 HG22 THR 104 120.506 3.045 -12.063 810 H ALA 105 HN ALA 105 124.164 2.768 -10.102 811 HA ALA 105 HA ALA 105 124.428 2.135 -12.886 812 1HB ALA 105 HB1 ALA 105 125.858 3.725 -11.405 813 2HB ALA 105 HB3 ALA 105 126.765 2.272 -10.987 814 3HB ALA 105 HB2 ALA 105 126.678 2.803 -12.666 815 H PHE 106 HN PHE 106 125.555 0.436 -9.951 816 HA PHE 106 HA PHE 106 126.322 -1.896 -11.616 817 1HB PHE 106 HB2 PHE 106 126.641 -1.412 -8.636 818 2HB PHE 106 HB1 PHE 106 127.311 -2.773 -9.535 819 HD1 PHE 106 HD1 PHE 106 128.622 -1.979 -11.782 820 HD2 PHE 106 HD2 PHE 106 128.093 0.355 -8.214 821 HE1 PHE 106 HE1 PHE 106 130.601 -0.610 -12.383 822 HE2 PHE 106 HE2 PHE 106 130.073 1.722 -8.816 823 HZ PHE 106 HZ PHE 106 131.326 1.240 -10.900 824 H LYS 107 HN LYS 107 123.702 -1.713 -11.867 825 HA LYS 107 HA LYS 107 122.371 -3.274 -9.726 826 1HB LYS 107 HB2 LYS 107 121.269 -1.256 -10.771 827 2HB LYS 107 HB1 LYS 107 121.172 -2.165 -12.279 828 1HG LYS 107 HG2 LYS 107 119.092 -2.620 -11.319 829 2HG LYS 107 HG1 LYS 107 120.046 -4.003 -10.782 830 1HD LYS 107 HD2 LYS 107 120.297 -3.145 -8.606 831 2HD LYS 107 HD1 LYS 107 119.899 -1.502 -9.109 832 1HE LYS 107 HE2 LYS 107 118.014 -2.504 -7.886 833 2HE LYS 107 HE1 LYS 107 117.573 -2.213 -9.569 834 1HZ LYS 107 HZ2 LYS 107 118.667 -4.812 -8.689 835 2HZ LYS 107 HZ1 LYS 107 117.007 -4.469 -8.574 836 3HZ LYS 107 HZ3 LYS 107 117.771 -4.457 -10.088 837 H ASP 108 HN ASP 108 123.533 -3.591 -13.025 838 HA ASP 108 HA ASP 108 122.328 -6.300 -13.240 839 1HB ASP 108 HB2 ASP 108 123.536 -4.359 -15.187 840 2HB ASP 108 HB1 ASP 108 123.507 -6.076 -15.590 841 H ASP 109 HN ASP 109 124.502 -5.783 -11.361 842 HA ASP 109 HA ASP 109 126.270 -7.955 -12.155 843 1HB ASP 109 HB2 ASP 109 127.155 -5.107 -12.345 844 2HB ASP 109 HB1 ASP 109 128.301 -6.278 -11.692 845 H VAL 110 HN VAL 110 125.138 -8.579 -10.109 846 HA VAL 110 HA VAL 110 126.851 -8.044 -7.809 847 HB VAL 110 HB VAL 110 125.362 -6.076 -7.732 848 1HG1 VAL 110 HG13 VAL 110 123.461 -7.269 -8.933 849 2HG1 VAL 110 HG12 VAL 110 123.074 -8.027 -7.389 850 3HG1 VAL 110 HG11 VAL 110 122.982 -6.274 -7.559 851 1HG2 VAL 110 HG22 VAL 110 124.834 -8.191 -5.622 852 2HG2 VAL 110 HG21 VAL 110 126.090 -6.954 -5.594 853 3HG2 VAL 110 HG23 VAL 110 124.395 -6.492 -5.443 854 H ASP 111 HN ASP 111 126.947 -9.912 -6.662 855 HA ASP 111 HA ASP 111 124.692 -11.858 -6.967 856 1HB ASP 111 HB2 ASP 111 126.428 -13.618 -6.533 857 2HB ASP 111 HB1 ASP 111 126.714 -12.712 -8.019 858 H THR 112 HN THR 112 127.169 -10.587 -4.753 859 HA THR 112 HA THR 112 125.730 -11.811 -2.456 860 HB THR 112 HB THR 112 128.262 -10.192 -2.249 861 HG1 THR 112 HG1 THR 112 129.410 -12.045 -2.716 862 1HG2 THR 112 HG23 THR 112 126.941 -12.420 -0.699 863 2HG2 THR 112 HG22 THR 112 128.629 -11.979 -0.444 864 3HG2 THR 112 HG21 THR 112 127.354 -10.799 -0.140 865 H LEU 113 HN LEU 113 124.609 -10.561 -0.994 866 HA LEU 113 HA LEU 113 124.696 -7.596 -1.385 867 1HB LEU 113 HB2 LEU 113 122.264 -9.297 -0.754 868 2HB LEU 113 HB1 LEU 113 122.279 -7.541 -0.914 869 HG LEU 113 HG LEU 113 123.316 -9.262 -3.152 870 1HD1 LEU 113 HD13 LEU 113 120.452 -8.731 -2.387 871 2HD1 LEU 113 HD12 LEU 113 120.901 -8.913 -4.083 872 3HD1 LEU 113 HD11 LEU 113 121.187 -10.232 -2.949 873 1HD2 LEU 113 HD23 LEU 113 122.343 -6.459 -2.734 874 2HD2 LEU 113 HD22 LEU 113 123.748 -7.032 -3.633 875 3HD2 LEU 113 HD21 LEU 113 122.134 -7.189 -4.326 876 H LEU 114 HN LEU 114 125.948 -7.098 0.409 877 HA LEU 114 HA LEU 114 125.291 -8.306 3.027 878 1HB LEU 114 HB2 LEU 114 127.407 -6.277 2.238 879 2HB LEU 114 HB1 LEU 114 127.254 -7.022 3.830 880 HG LEU 114 HG LEU 114 127.472 -8.743 1.370 881 1HD1 LEU 114 HD12 LEU 114 129.364 -7.113 1.343 882 2HD1 LEU 114 HD11 LEU 114 129.801 -7.638 2.969 883 3HD1 LEU 114 HD13 LEU 114 129.900 -8.770 1.620 884 1HD2 LEU 114 HD23 LEU 114 128.115 -9.034 4.317 885 2HD2 LEU 114 HD22 LEU 114 126.883 -9.897 3.397 886 3HD2 LEU 114 HD21 LEU 114 128.591 -10.226 3.108 887 H VAL 115 HN VAL 115 123.958 -7.307 4.465 888 HA VAL 115 HA VAL 115 123.654 -4.359 4.355 889 HB VAL 115 HB VAL 115 121.878 -5.261 2.896 890 1HG1 VAL 115 HG13 VAL 115 121.767 -7.495 4.056 891 2HG1 VAL 115 HG12 VAL 115 120.875 -6.710 5.360 892 3HG1 VAL 115 HG11 VAL 115 120.191 -6.771 3.736 893 1HG2 VAL 115 HG21 VAL 115 121.486 -3.268 4.419 894 2HG2 VAL 115 HG23 VAL 115 120.023 -4.117 3.919 895 3HG2 VAL 115 HG22 VAL 115 120.682 -4.372 5.535 896 H THR 116 HN THR 116 122.975 -3.459 6.355 897 HA THR 116 HA THR 116 123.017 -5.385 8.646 898 HB THR 116 HB THR 116 123.625 -2.444 8.899 899 HG1 THR 116 HG1 THR 116 125.852 -3.136 8.659 900 1HG2 THR 116 HG22 THR 116 123.259 -3.910 10.906 901 2HG2 THR 116 HG21 THR 116 124.649 -4.869 10.397 902 3HG2 THR 116 HG23 THR 116 124.862 -3.177 10.846 903 H ARG 117 HN ARG 117 120.883 -5.717 9.151 904 HA ARG 117 HA ARG 117 118.916 -3.547 8.939 905 1HB ARG 117 HB2 ARG 117 118.779 -6.440 9.803 906 2HB ARG 117 HB1 ARG 117 117.398 -5.354 9.967 907 1HG ARG 117 HG2 ARG 117 118.023 -4.808 7.420 908 2HG ARG 117 HG1 ARG 117 118.668 -6.448 7.499 909 1HD ARG 117 HD2 ARG 117 115.967 -6.030 8.673 910 2HD ARG 117 HD1 ARG 117 116.086 -5.934 6.916 911 HE ARG 117 HE ARG 117 117.485 -8.252 7.638 912 1HH1 ARG 117 HH21 ARG 117 114.228 -7.021 7.974 913 2HH1 ARG 117 HH22 ARG 117 113.523 -8.600 7.958 914 1HH2 ARG 117 HH11 ARG 117 116.530 -10.275 7.622 915 2HH2 ARG 117 HH12 ARG 117 114.810 -10.423 7.761 916 H LEU 118 HN LEU 118 118.561 -2.120 10.560 917 HA LEU 118 HA LEU 118 119.655 -2.690 13.250 918 1HB LEU 118 HB2 LEU 118 118.759 -0.249 11.776 919 2HB LEU 118 HB1 LEU 118 118.664 -0.228 13.537 920 HG LEU 118 HG LEU 118 121.101 -1.144 13.447 921 1HD1 LEU 118 HD13 LEU 118 121.073 -1.593 11.011 922 2HD1 LEU 118 HD12 LEU 118 120.847 0.129 10.704 923 3HD1 LEU 118 HD11 LEU 118 122.343 -0.448 11.441 924 1HD2 LEU 118 HD21 LEU 118 120.262 1.678 12.751 925 2HD2 LEU 118 HD23 LEU 118 120.707 1.036 14.332 926 3HD2 LEU 118 HD22 LEU 118 121.940 1.256 13.091 927 H ALA 119 HN ALA 119 118.024 -1.459 14.979 928 HA ALA 119 HA ALA 119 115.365 -2.782 14.594 929 1HB ALA 119 HB1 ALA 119 116.791 -3.896 16.312 930 2HB ALA 119 HB3 ALA 119 116.864 -2.374 17.201 931 3HB ALA 119 HB2 ALA 119 115.322 -3.206 17.002 932 H GLY 120 HN GLY 120 117.086 -0.095 16.185 933 1HA GLY 120 HA2 GLY 120 114.712 1.291 17.033 934 2HA GLY 120 HA1 GLY 120 116.315 2.012 16.878 935 H SER 121 HN SER 121 113.606 3.013 16.027 936 HA SER 121 HA SER 121 113.806 3.051 13.081 937 1HB SER 121 HB2 SER 121 111.736 4.436 13.235 938 2HB SER 121 HB1 SER 121 111.577 2.892 14.068 939 HG SER 121 HG SER 121 112.252 5.387 15.255 940 H PHE 122 HN PHE 122 113.928 5.121 11.919 941 HA PHE 122 HA PHE 122 114.928 7.448 13.441 942 1HB PHE 122 HB2 PHE 122 116.564 6.163 11.233 943 2HB PHE 122 HB1 PHE 122 116.985 7.622 12.130 944 HD1 PHE 122 HD2 PHE 122 117.415 7.476 14.609 945 HD2 PHE 122 HD1 PHE 122 116.976 3.992 12.135 946 HE1 PHE 122 HE2 PHE 122 118.474 6.090 16.373 947 HE2 PHE 122 HE1 PHE 122 118.034 2.606 13.898 948 HZ PHE 122 HZ PHE 122 118.783 3.655 16.017 949 H GLU 123 HN GLU 123 115.211 9.356 11.934 950 HA GLU 123 HA GLU 123 113.267 9.157 9.668 951 1HB GLU 123 HB2 GLU 123 112.576 10.613 11.597 952 2HB GLU 123 HB1 GLU 123 113.989 11.621 11.282 953 1HG GLU 123 HG2 GLU 123 113.184 12.213 9.097 954 2HG GLU 123 HG1 GLU 123 111.895 11.012 9.183 955 H GLY 124 HN GLY 124 113.851 10.124 7.692 956 1HA GLY 124 HA2 GLY 124 116.074 11.839 7.261 957 2HA GLY 124 HA1 GLY 124 116.621 10.180 7.018 958 H ASP 125 HN ASP 125 116.823 11.550 4.798 959 HA ASP 125 HA ASP 125 114.320 11.080 3.232 960 1HB ASP 125 HB2 ASP 125 116.654 12.955 2.783 961 2HB ASP 125 HB1 ASP 125 115.430 12.635 1.554 962 H THR 126 HN THR 126 117.732 10.319 3.500 963 HA THR 126 HA THR 126 118.012 9.106 0.891 964 HB THR 126 HB THR 126 119.625 8.344 3.326 965 HG1 THR 126 HG1 THR 126 120.568 10.238 3.303 966 1HG2 THR 126 HG22 THR 126 120.009 7.173 1.163 967 2HG2 THR 126 HG21 THR 126 120.352 8.730 0.409 968 3HG2 THR 126 HG23 THR 126 121.411 8.112 1.677 969 H LYS 127 HN LYS 127 117.157 7.201 0.243 970 HA LYS 127 HA LYS 127 116.560 5.134 2.322 971 1HB LYS 127 HB2 LYS 127 114.828 6.215 0.117 972 2HB LYS 127 HB1 LYS 127 114.633 4.538 0.629 973 1HG LYS 127 HG2 LYS 127 114.437 5.391 3.007 974 2HG LYS 127 HG1 LYS 127 114.365 7.022 2.339 975 1HD LYS 127 HD2 LYS 127 112.104 6.537 2.415 976 2HD LYS 127 HD1 LYS 127 112.485 5.929 0.803 977 1HE LYS 127 HE2 LYS 127 112.366 3.714 1.457 978 2HE LYS 127 HE1 LYS 127 112.829 4.071 3.121 979 1HZ LYS 127 HZ2 LYS 127 110.647 5.150 3.405 980 2HZ LYS 127 HZ1 LYS 127 110.209 4.638 1.845 981 3HZ LYS 127 HZ3 LYS 127 110.522 3.492 3.056 982 H MET 128 HN MET 128 116.256 2.917 1.224 983 HA MET 128 HA MET 128 118.520 2.522 -0.636 984 1HB MET 128 HB2 MET 128 118.172 1.085 1.419 985 2HB MET 128 HB1 MET 128 116.740 0.424 0.631 986 1HG MET 128 HG2 MET 128 118.577 -1.071 0.165 987 2HG MET 128 HG1 MET 128 118.208 -0.202 -1.325 988 1HE MET 128 HE1 MET 128 119.971 -0.941 -2.247 989 2HE MET 128 HE3 MET 128 121.115 0.357 -2.617 990 3HE MET 128 HE2 MET 128 121.622 -1.017 -1.637 991 H ILE 129 HN ILE 129 118.289 1.609 -2.702 992 HA ILE 129 HA ILE 129 115.873 2.182 -4.135 993 HB ILE 129 HB ILE 129 116.957 0.875 -5.981 994 1HG1 ILE 129 HG12 ILE 129 119.264 0.509 -4.060 995 2HG1 ILE 129 HG11 ILE 129 118.042 -0.741 -4.293 996 1HG2 ILE 129 HG21 ILE 129 117.495 3.280 -5.526 997 2HG2 ILE 129 HG23 ILE 129 118.854 2.749 -4.536 998 3HG2 ILE 129 HG22 ILE 129 118.833 2.399 -6.265 999 1HD1 ILE 129 HD11 ILE 129 118.521 -0.545 -6.797 1000 2HD1 ILE 129 HD13 ILE 129 119.937 0.406 -6.350 1001 3HD1 ILE 129 HD12 ILE 129 119.798 -1.270 -5.820 1002 HA PRO 130 HA PRO 130 113.528 -1.566 -3.631 1003 1HB PRO 130 HB2 PRO 130 112.459 -1.773 -6.217 1004 2HB PRO 130 HB1 PRO 130 111.791 -0.820 -4.886 1005 1HG PRO 130 HG2 PRO 130 112.972 0.128 -7.308 1006 2HG PRO 130 HG1 PRO 130 112.308 1.076 -5.971 1007 1HD PRO 130 HD2 PRO 130 115.105 0.527 -6.632 1008 2HD PRO 130 HD1 PRO 130 114.431 1.742 -5.533 1009 H LEU 131 HN LEU 131 114.761 -3.409 -3.427 1010 HA LEU 131 HA LEU 131 115.954 -4.575 -5.908 1011 1HB LEU 131 HB2 LEU 131 116.636 -5.022 -2.985 1012 2HB LEU 131 HB1 LEU 131 117.385 -5.885 -4.329 1013 HG LEU 131 HG LEU 131 117.350 -2.901 -4.446 1014 1HD1 LEU 131 HD13 LEU 131 118.051 -3.563 -2.096 1015 2HD1 LEU 131 HD12 LEU 131 119.403 -4.429 -2.826 1016 3HD1 LEU 131 HD11 LEU 131 119.271 -2.681 -3.016 1017 1HD2 LEU 131 HD21 LEU 131 118.266 -4.507 -6.219 1018 2HD2 LEU 131 HD23 LEU 131 119.368 -3.238 -5.683 1019 3HD2 LEU 131 HD22 LEU 131 119.551 -4.882 -5.071 1020 H ASN 132 HN ASN 132 115.873 -6.997 -6.008 1021 HA ASN 132 HA ASN 132 113.211 -7.947 -5.077 1022 1HB ASN 132 HB2 ASN 132 113.948 -8.072 -7.533 1023 2HB ASN 132 HB1 ASN 132 115.057 -9.345 -7.022 1024 1HD2 ASN 132 HD22 ASN 132 111.331 -10.405 -7.799 1025 2HD2 ASN 132 HD21 ASN 132 112.116 -9.035 -8.424 1026 H TRP 133 HN TRP 133 113.256 -9.064 -3.196 1027 HA TRP 133 HA TRP 133 115.721 -10.531 -2.432 1028 1HB TRP 133 HB2 TRP 133 113.207 -9.968 -0.834 1029 2HB TRP 133 HB1 TRP 133 114.696 -10.675 -0.207 1030 HD1 TRP 133 HD1 TRP 133 113.178 -7.389 -1.356 1031 HE1 TRP 133 HE1 TRP 133 114.771 -5.461 -0.731 1032 HE3 TRP 133 HE3 TRP 133 117.233 -10.070 0.207 1033 HZ2 TRP 133 HZ2 TRP 133 117.418 -5.104 0.297 1034 HZ3 TRP 133 HZ3 TRP 133 119.274 -8.912 1.003 1035 HH2 TRP 133 HH2 TRP 133 119.372 -6.435 1.050 1036 H ASP 134 HN ASP 134 113.189 -11.329 -4.301 1037 HA ASP 134 HA ASP 134 112.456 -13.866 -3.000 1038 1HB ASP 134 HB2 ASP 134 110.836 -12.448 -4.350 1039 2HB ASP 134 HB1 ASP 134 111.737 -12.930 -5.788 1040 H ASP 135 HN ASP 135 114.593 -12.699 -5.527 1041 HA ASP 135 HA ASP 135 115.237 -15.482 -6.346 1042 1HB ASP 135 HB2 ASP 135 115.993 -12.771 -7.462 1043 2HB ASP 135 HB1 ASP 135 116.692 -14.278 -8.054 1044 H PHE 136 HN PHE 136 115.981 -14.657 -3.697 1045 HA PHE 136 HA PHE 136 118.916 -15.023 -3.919 1046 1HB PHE 136 HB2 PHE 136 117.551 -12.782 -2.409 1047 2HB PHE 136 HB1 PHE 136 119.205 -13.292 -2.070 1048 HD1 PHE 136 HD1 PHE 136 116.968 -11.710 -4.534 1049 HD2 PHE 136 HD2 PHE 136 121.001 -12.922 -3.683 1050 HE1 PHE 136 HE1 PHE 136 117.782 -10.340 -6.435 1051 HE2 PHE 136 HE2 PHE 136 121.814 -11.553 -5.584 1052 HZ PHE 136 HZ PHE 136 120.204 -10.262 -6.960 1053 H THR 137 HN THR 137 119.828 -15.551 -1.673 1054 HA THR 137 HA THR 137 117.808 -16.748 0.148 1055 HB THR 137 HB THR 137 120.219 -18.323 -0.779 1056 HG1 THR 137 HG1 THR 137 119.130 -18.866 -2.470 1057 1HG2 THR 137 HG22 THR 137 118.958 -18.769 1.435 1058 2HG2 THR 137 HG21 THR 137 117.641 -19.337 0.409 1059 3HG2 THR 137 HG23 THR 137 119.212 -20.135 0.349 1060 H LYS 138 HN LYS 138 118.489 -16.774 2.301 1061 HA LYS 138 HA LYS 138 121.011 -15.300 2.850 1062 1HB LYS 138 HB2 LYS 138 118.801 -14.558 3.852 1063 2HB LYS 138 HB1 LYS 138 118.822 -16.041 4.807 1064 1HG LYS 138 HG2 LYS 138 120.899 -15.402 5.873 1065 2HG LYS 138 HG1 LYS 138 121.065 -14.004 4.809 1066 1HD LYS 138 HD2 LYS 138 120.192 -13.163 6.873 1067 2HD LYS 138 HD1 LYS 138 118.838 -13.187 5.742 1068 1HE LYS 138 HE2 LYS 138 118.069 -15.323 6.666 1069 2HE LYS 138 HE1 LYS 138 119.450 -15.364 7.763 1070 1HZ LYS 138 HZ1 LYS 138 118.582 -13.095 8.529 1071 2HZ LYS 138 HZ3 LYS 138 117.127 -13.546 7.784 1072 3HZ LYS 138 HZ2 LYS 138 117.758 -14.486 9.050 1073 H VAL 139 HN VAL 139 122.769 -16.459 3.433 1074 HA VAL 139 HA VAL 139 122.345 -19.176 4.609 1075 HB VAL 139 HB VAL 139 124.674 -19.637 3.796 1076 1HG1 VAL 139 HG13 VAL 139 122.530 -18.785 1.840 1077 2HG1 VAL 139 HG12 VAL 139 124.016 -19.581 1.322 1078 3HG1 VAL 139 HG11 VAL 139 122.900 -20.415 2.403 1079 1HG2 VAL 139 HG21 VAL 139 125.335 -17.198 3.761 1080 2HG2 VAL 139 HG23 VAL 139 125.741 -18.074 2.285 1081 3HG2 VAL 139 HG22 VAL 139 124.336 -17.009 2.320 1082 H SER 140 HN SER 140 123.967 -16.082 4.984 1083 HA SER 140 HA SER 140 125.043 -17.025 7.612 1084 1HB SER 140 HB2 SER 140 126.523 -16.006 5.592 1085 2HB SER 140 HB1 SER 140 126.075 -14.510 6.406 1086 HG SER 140 HG SER 140 127.013 -15.251 8.262 1087 H SER 141 HN SER 141 124.441 -15.890 9.435 1088 HA SER 141 HA SER 141 123.234 -13.228 9.250 1089 1HB SER 141 HB2 SER 141 121.343 -14.772 8.666 1090 2HB SER 141 HB1 SER 141 121.545 -15.547 10.235 1091 HG SER 141 HG SER 141 119.982 -13.943 10.392 1092 H ARG 142 HN ARG 142 124.326 -12.296 10.910 1093 HA ARG 142 HA ARG 142 124.476 -13.794 13.498 1094 1HB ARG 142 HB2 ARG 142 126.675 -13.392 12.208 1095 2HB ARG 142 HB1 ARG 142 126.464 -11.692 12.632 1096 1HG ARG 142 HG2 ARG 142 126.850 -12.057 14.870 1097 2HG ARG 142 HG1 ARG 142 126.167 -13.683 14.830 1098 1HD ARG 142 HD2 ARG 142 128.488 -14.043 15.114 1099 2HD ARG 142 HD1 ARG 142 128.221 -14.305 13.391 1100 HE ARG 142 HE ARG 142 128.844 -11.599 13.604 1101 1HH1 ARG 142 HH21 ARG 142 130.385 -14.609 14.498 1102 2HH1 ARG 142 HH22 ARG 142 131.978 -13.963 14.319 1103 1HH2 ARG 142 HH11 ARG 142 130.925 -10.805 13.383 1104 2HH2 ARG 142 HH12 ARG 142 132.283 -11.833 13.695 1105 H THR 143 HN THR 143 123.287 -12.821 15.049 1106 HA THR 143 HA THR 143 122.418 -10.020 14.687 1107 HB THR 143 HB THR 143 121.724 -11.869 16.979 1108 HG1 THR 143 HG1 THR 143 121.115 -12.986 15.205 1109 1HG2 THR 143 HG23 THR 143 121.210 -9.315 16.904 1110 2HG2 THR 143 HG22 THR 143 119.992 -9.762 15.710 1111 3HG2 THR 143 HG21 THR 143 119.912 -10.425 17.342 1112 H VAL 144 HN VAL 144 123.259 -8.330 15.837 1113 HA VAL 144 HA VAL 144 125.033 -8.962 18.159 1114 HB VAL 144 HB VAL 144 125.566 -6.840 16.058 1115 1HG1 VAL 144 HG13 VAL 144 126.407 -6.458 18.414 1116 2HG1 VAL 144 HG12 VAL 144 127.362 -7.931 18.241 1117 3HG1 VAL 144 HG11 VAL 144 127.675 -6.549 17.192 1118 1HG2 VAL 144 HG21 VAL 144 126.772 -9.592 16.479 1119 2HG2 VAL 144 HG23 VAL 144 125.883 -9.032 15.062 1120 3HG2 VAL 144 HG22 VAL 144 127.471 -8.360 15.429 1121 H GLU 145 HN GLU 145 124.295 -7.940 19.944 1122 HA GLU 145 HA GLU 145 122.409 -5.675 19.642 1123 1HB GLU 145 HB2 GLU 145 123.283 -7.208 22.112 1124 2HB GLU 145 HB1 GLU 145 122.002 -5.996 22.055 1125 1HG GLU 145 HG2 GLU 145 120.661 -7.358 20.600 1126 2HG GLU 145 HG1 GLU 145 121.991 -8.487 20.334 1127 H ASP 146 HN ASP 146 122.746 -3.689 20.871 1128 HA ASP 146 HA ASP 146 125.644 -3.129 21.367 1129 1HB ASP 146 HB2 ASP 146 124.083 -1.912 19.506 1130 2HB ASP 146 HB1 ASP 146 123.789 -0.860 20.890 1131 H THR 147 HN THR 147 125.394 -0.715 22.694 1132 HA THR 147 HA THR 147 124.779 -1.531 25.366 1133 HB THR 147 HB THR 147 125.055 0.880 25.922 1134 HG1 THR 147 HG1 THR 147 124.597 2.239 24.413 1135 1HG2 THR 147 HG22 THR 147 127.058 -0.194 23.917 1136 2HG2 THR 147 HG21 THR 147 127.368 1.090 25.085 1137 3HG2 THR 147 HG23 THR 147 127.038 -0.550 25.644 1138 H ASN 148 HN ASN 148 122.967 0.413 22.999 1139 HA ASN 148 HA ASN 148 120.632 0.415 24.854 1140 1HB ASN 148 HB2 ASN 148 121.290 2.044 22.386 1141 2HB ASN 148 HB1 ASN 148 119.708 2.082 23.166 1142 1HD2 ASN 148 HD22 ASN 148 121.003 4.704 25.162 1143 2HD2 ASN 148 HD21 ASN 148 119.879 4.261 23.970 1144 HA PRO 149 HA PRO 149 118.374 -2.397 22.245 1145 1HB PRO 149 HB2 PRO 149 115.811 -1.311 22.537 1146 2HB PRO 149 HB1 PRO 149 116.588 -2.444 23.650 1147 1HG PRO 149 HG2 PRO 149 115.937 0.309 24.096 1148 2HG PRO 149 HG1 PRO 149 116.687 -0.837 25.215 1149 1HD PRO 149 HD2 PRO 149 117.935 1.302 23.664 1150 2HD PRO 149 HD1 PRO 149 118.593 0.372 25.020 1151 H ALA 150 HN ALA 150 117.957 1.041 21.645 1152 HA ALA 150 HA ALA 150 116.648 0.661 19.057 1153 1HB ALA 150 HB2 ALA 150 116.363 2.689 20.569 1154 2HB ALA 150 HB1 ALA 150 117.989 3.172 20.085 1155 3HB ALA 150 HB3 ALA 150 116.709 3.050 18.877 1156 H LEU 151 HN LEU 151 119.925 0.748 20.211 1157 HA LEU 151 HA LEU 151 120.981 1.317 17.497 1158 1HB LEU 151 HB2 LEU 151 122.390 0.902 20.151 1159 2HB LEU 151 HB1 LEU 151 123.195 1.302 18.633 1160 HG LEU 151 HG LEU 151 120.967 3.014 19.739 1161 1HD1 LEU 151 HD11 LEU 151 123.031 2.663 21.305 1162 2HD1 LEU 151 HD13 LEU 151 123.886 3.649 20.118 1163 3HD1 LEU 151 HD12 LEU 151 122.489 4.308 20.971 1164 1HD2 LEU 151 HD23 LEU 151 123.154 3.304 17.677 1165 2HD2 LEU 151 HD22 LEU 151 121.418 3.534 17.473 1166 3HD2 LEU 151 HD21 LEU 151 122.364 4.718 18.375 1167 H THR 152 HN THR 152 119.531 -1.197 18.100 1168 HA THR 152 HA THR 152 121.575 -3.293 18.224 1169 HB THR 152 HB THR 152 118.672 -3.618 17.432 1170 HG1 THR 152 HG1 THR 152 118.160 -3.181 19.403 1171 1HG2 THR 152 HG23 THR 152 120.586 -5.457 17.334 1172 2HG2 THR 152 HG22 THR 152 120.265 -5.550 19.065 1173 3HG2 THR 152 HG21 THR 152 118.969 -5.861 17.911 1174 H HIS 153 HN HIS 153 122.298 -4.532 16.469 1175 HA HIS 153 HA HIS 153 121.242 -3.859 13.770 1176 1HB HIS 153 HB2 HIS 153 123.598 -3.689 12.922 1177 2HB HIS 153 HB1 HIS 153 123.161 -2.390 14.031 1178 HD1 HIS 153 HD1 HIS 153 123.876 -2.901 16.648 1179 HD2 HIS 153 HD2 HIS 153 125.886 -5.041 13.688 1180 HE1 HIS 153 HE1 HIS 153 125.982 -3.806 17.724 1181 H THR 154 HN THR 154 121.642 -5.524 12.203 1182 HA THR 154 HA THR 154 122.784 -8.064 13.272 1183 HB THR 154 HB THR 154 120.199 -7.899 11.695 1184 HG1 THR 154 HG1 THR 154 119.210 -7.748 13.533 1185 1HG2 THR 154 HG22 THR 154 121.910 -9.983 11.862 1186 2HG2 THR 154 HG21 THR 154 120.966 -10.258 13.326 1187 3HG2 THR 154 HG23 THR 154 120.161 -10.186 11.759 1188 H TYR 155 HN TYR 155 124.389 -8.640 11.901 1189 HA TYR 155 HA TYR 155 124.591 -7.518 9.223 1190 1HB TYR 155 HB2 TYR 155 126.197 -9.722 10.555 1191 2HB TYR 155 HB1 TYR 155 126.632 -8.898 9.057 1192 HD1 TYR 155 HD2 TYR 155 126.391 -6.171 9.328 1193 HD2 TYR 155 HD1 TYR 155 127.321 -8.975 12.446 1194 HE1 TYR 155 HE2 TYR 155 127.468 -4.359 10.636 1195 HE2 TYR 155 HE1 TYR 155 128.398 -7.164 13.754 1196 HH TYR 155 HH TYR 155 129.459 -4.953 13.301 1197 H GLU 156 HN GLU 156 123.447 -8.298 7.533 1198 HA GLU 156 HA GLU 156 122.715 -11.198 7.531 1199 1HB GLU 156 HB2 GLU 156 121.391 -8.893 6.067 1200 2HB GLU 156 HB1 GLU 156 120.845 -10.571 6.068 1201 1HG GLU 156 HG2 GLU 156 121.133 -8.903 8.581 1202 2HG GLU 156 HG1 GLU 156 119.617 -9.086 7.698 1203 H VAL 157 HN VAL 157 123.261 -12.430 5.735 1204 HA VAL 157 HA VAL 157 124.741 -11.025 3.545 1205 HB VAL 157 HB VAL 157 125.385 -13.767 4.670 1206 1HG1 VAL 157 HG13 VAL 157 125.937 -13.255 2.246 1207 2HG1 VAL 157 HG12 VAL 157 127.006 -11.982 2.837 1208 3HG1 VAL 157 HG11 VAL 157 127.325 -13.666 3.253 1209 1HG2 VAL 157 HG23 VAL 157 126.364 -11.015 5.330 1210 2HG2 VAL 157 HG22 VAL 157 126.139 -12.406 6.390 1211 3HG2 VAL 157 HG21 VAL 157 127.536 -12.333 5.317 1212 H TRP 158 HN TRP 158 123.291 -11.134 1.875 1213 HA TRP 158 HA TRP 158 121.788 -13.663 1.436 1214 1HB TRP 158 HB2 TRP 158 121.520 -10.946 0.109 1215 2HB TRP 158 HB1 TRP 158 120.473 -12.335 -0.186 1216 HD1 TRP 158 HD1 TRP 158 121.652 -10.235 2.848 1217 HE1 TRP 158 HE1 TRP 158 119.680 -10.037 4.497 1218 HE3 TRP 158 HE3 TRP 158 118.178 -13.078 0.414 1219 HZ2 TRP 158 HZ2 TRP 158 116.986 -10.962 4.750 1220 HZ3 TRP 158 HZ3 TRP 158 115.919 -13.403 1.380 1221 HH2 TRP 158 HH2 TRP 158 115.319 -12.350 3.543 1222 H GLN 159 HN GLN 159 121.892 -14.731 -0.620 1223 HA GLN 159 HA GLN 159 124.047 -13.848 -2.471 1224 1HB GLN 159 HB2 GLN 159 123.888 -16.475 -1.005 1225 2HB GLN 159 HB1 GLN 159 124.683 -16.374 -2.577 1226 1HG GLN 159 HG2 GLN 159 126.057 -14.457 -1.644 1227 2HG GLN 159 HG1 GLN 159 125.393 -14.852 -0.058 1228 1HE2 GLN 159 HE22 GLN 159 128.570 -16.881 -1.241 1229 2HE2 GLN 159 HE21 GLN 159 128.124 -15.341 -1.798 1230 H LYS 160 HN LYS 160 123.801 -14.726 -4.620 1231 HA LYS 160 HA LYS 160 121.042 -15.106 -5.413 1232 1HB LYS 160 HB2 LYS 160 123.049 -14.092 -6.755 1233 2HB LYS 160 HB1 LYS 160 123.382 -15.770 -7.185 1234 1HG LYS 160 HG2 LYS 160 121.947 -15.172 -8.909 1235 2HG LYS 160 HG1 LYS 160 120.792 -15.805 -7.735 1236 1HD LYS 160 HD2 LYS 160 120.118 -13.650 -7.053 1237 2HD LYS 160 HD1 LYS 160 121.553 -12.888 -7.741 1238 1HE LYS 160 HE2 LYS 160 120.733 -13.581 -10.022 1239 2HE LYS 160 HE1 LYS 160 119.235 -14.115 -9.259 1240 1HZ LYS 160 HZ1 LYS 160 120.339 -11.364 -9.082 1241 2HZ LYS 160 HZ3 LYS 160 119.100 -11.841 -10.136 1242 3HZ LYS 160 HZ2 LYS 160 118.853 -11.897 -8.456 1243 H LYS 161 HN LYS 161 120.080 -17.016 -6.257 1244 HA LYS 161 HA LYS 161 120.921 -19.479 -4.999 1245 1HB LYS 161 HB2 LYS 161 118.795 -18.765 -7.018 1246 2HB LYS 161 HB1 LYS 161 119.102 -20.445 -6.574 1247 1HG LYS 161 HG2 LYS 161 118.664 -19.956 -4.231 1248 2HG LYS 161 HG1 LYS 161 118.492 -18.237 -4.588 1249 1HD LYS 161 HD2 LYS 161 116.587 -18.833 -6.132 1250 2HD LYS 161 HD1 LYS 161 116.692 -20.486 -5.527 1251 1HE LYS 161 HE2 LYS 161 116.430 -19.525 -3.188 1252 2HE LYS 161 HE1 LYS 161 116.036 -17.986 -3.953 1253 1HZ LYS 161 HZ1 LYS 161 114.613 -20.539 -4.471 1254 2HZ LYS 161 HZ3 LYS 161 114.066 -19.331 -3.414 1255 3HZ LYS 161 HZ2 LYS 161 114.198 -19.006 -5.076 1256 H ALA 162 HN ALA 162 120.891 -18.365 -8.396 1257 HA ALA 162 HA ALA 162 123.262 -20.011 -8.954 1258 1HB ALA 162 HB3 ALA 162 121.411 -21.614 -9.289 1259 2HB ALA 162 HB2 ALA 162 120.648 -20.494 -10.418 1260 3HB ALA 162 HB1 ALA 162 122.200 -21.229 -10.819 1261 1HN2 MTX 170 1HN2 MTX 170 126.846 -1.559 7.867 1262 2HN2 MTX 170 2HN2 MTX 170 127.091 -2.381 6.402 1263 1HN4 MTX 170 1HN4 MTX 170 128.841 -0.163 2.620 1264 2HN4 MTX 170 2HN4 MTX 170 129.237 1.485 2.707 1265 H7 MTX 170 H7 MTX 170 128.736 5.124 7.310 1266 1H9 MTX 170 H91 MTX 170 128.815 5.993 4.234 1267 2H9 MTX 170 H92 MTX 170 130.399 5.238 4.027 1268 1HM MTX 170 HM1 MTX 170 128.839 7.895 5.124 1269 2HM MTX 170 HM2 MTX 170 130.242 8.470 6.075 1270 3HM MTX 170 HM3 MTX 170 128.923 7.569 6.881 1271 H12 MTX 170 H13 MTX 170 133.078 6.748 9.302 1272 H13 MTX 170 H12 MTX 170 130.923 7.257 8.150 1273 H15 MTX 170 H16 MTX 170 132.223 4.935 4.723 1274 H16 MTX 170 H15 MTX 170 134.371 4.434 5.884 1275 HN MTX 170 HN MTX 170 135.227 3.436 7.421 1276 HA MTX 170 HA MTX 170 137.547 4.580 8.730 1277 1HB MTX 170 HB1 MTX 170 136.416 2.092 10.057 1278 2HB MTX 170 HB2 MTX 170 135.831 3.675 10.547 1279 1HG MTX 170 HG1 MTX 170 138.525 4.173 10.569 1280 2HG MTX 170 HG2 MTX 170 138.557 2.446 10.913 1281 HN1 MTX 170 H1N MTX 170 127.364 0.694 8.062 No H/Q in entry = 1281 Start of MODEL 2 1 1H THR 1 HT1 THR 1 132.427 -8.579 -7.015 2 2H THR 1 HT3 THR 1 131.092 -8.983 -7.978 3 3H THR 1 HT2 THR 1 132.285 -7.934 -8.579 4 HA THR 1 HA THR 1 131.708 -6.270 -6.935 5 HB THR 1 HB THR 1 129.170 -7.221 -8.272 6 HG1 THR 1 HG1 THR 1 131.431 -5.954 -9.421 7 1HG2 THR 1 HG21 THR 1 130.374 -4.569 -7.495 8 2HG2 THR 1 HG23 THR 1 129.094 -4.676 -8.704 9 3HG2 THR 1 HG22 THR 1 128.800 -5.231 -7.056 10 H ALA 2 HN ALA 2 130.459 -5.684 -5.106 11 HA ALA 2 HA ALA 2 128.622 -7.679 -3.937 12 1HB ALA 2 HB1 ALA 2 130.868 -8.340 -3.108 13 2HB ALA 2 HB3 ALA 2 131.087 -6.717 -2.454 14 3HB ALA 2 HB2 ALA 2 129.829 -7.768 -1.803 15 H PHE 3 HN PHE 3 127.006 -6.663 -2.817 16 HA PHE 3 HA PHE 3 127.114 -3.712 -2.639 17 1HB PHE 3 HB2 PHE 3 124.975 -5.797 -2.565 18 2HB PHE 3 HB1 PHE 3 124.666 -4.285 -1.715 19 HD1 PHE 3 HD1 PHE 3 126.520 -5.023 -4.902 20 HD2 PHE 3 HD2 PHE 3 123.239 -2.983 -3.020 21 HE1 PHE 3 HE1 PHE 3 125.977 -3.910 -7.051 22 HE2 PHE 3 HE2 PHE 3 122.697 -1.873 -5.170 23 HZ PHE 3 HZ PHE 3 124.066 -2.337 -7.184 24 H LEU 4 HN LEU 4 126.935 -2.584 -0.664 25 HA LEU 4 HA LEU 4 126.673 -4.059 1.864 26 1HB LEU 4 HB2 LEU 4 129.088 -4.318 1.274 27 2HB LEU 4 HB1 LEU 4 129.236 -2.561 1.233 28 HG LEU 4 HG LEU 4 128.264 -2.636 3.640 29 1HD1 LEU 4 HD13 LEU 4 128.831 -5.510 3.039 30 2HD1 LEU 4 HD12 LEU 4 129.202 -4.915 4.658 31 3HD1 LEU 4 HD11 LEU 4 127.557 -4.801 4.033 32 1HD2 LEU 4 HD22 LEU 4 130.622 -2.075 3.022 33 2HD2 LEU 4 HD21 LEU 4 130.506 -2.917 4.568 34 3HD2 LEU 4 HD23 LEU 4 131.024 -3.789 3.125 35 H TRP 5 HN TRP 5 125.224 -2.751 2.882 36 HA TRP 5 HA TRP 5 125.904 0.083 3.265 37 1HB TRP 5 HB2 TRP 5 123.823 0.960 2.381 38 2HB TRP 5 HB1 TRP 5 124.603 0.011 1.120 39 HD1 TRP 5 HD1 TRP 5 121.398 0.420 2.848 40 HE1 TRP 5 HE1 TRP 5 119.801 -1.534 2.326 41 HE3 TRP 5 HE3 TRP 5 124.682 -2.872 0.723 42 HZ2 TRP 5 HZ2 TRP 5 119.899 -4.142 1.167 43 HZ3 TRP 5 HZ3 TRP 5 123.900 -5.083 -0.074 44 HH2 TRP 5 HH2 TRP 5 121.516 -5.720 0.142 45 H ALA 6 HN ALA 6 124.244 1.118 4.795 46 HA ALA 6 HA ALA 6 123.284 -0.956 6.729 47 1HB ALA 6 HB3 ALA 6 124.538 1.753 7.128 48 2HB ALA 6 HB2 ALA 6 123.502 1.059 8.375 49 3HB ALA 6 HB1 ALA 6 124.967 0.214 7.876 50 H GLN 7 HN GLN 7 121.135 -0.895 7.259 51 HA GLN 7 HA GLN 7 119.580 1.576 6.724 52 1HB GLN 7 HB2 GLN 7 117.814 0.223 5.572 53 2HB GLN 7 HB1 GLN 7 119.326 0.299 4.667 54 1HG GLN 7 HG2 GLN 7 119.954 -1.904 5.342 55 2HG GLN 7 HG1 GLN 7 118.683 -1.966 6.563 56 1HE2 GLN 7 HE22 GLN 7 116.329 -3.265 4.302 57 2HE2 GLN 7 HE21 GLN 7 116.812 -3.036 5.913 58 H ASP 8 HN ASP 8 117.350 1.389 7.694 59 HA ASP 8 HA ASP 8 117.489 -0.236 10.193 60 1HB ASP 8 HB2 ASP 8 115.710 1.369 11.000 61 2HB ASP 8 HB1 ASP 8 117.267 2.123 10.654 62 H ARG 9 HN ARG 9 114.943 -0.488 10.956 63 HA ARG 9 HA ARG 9 113.881 -2.533 9.269 64 1HB ARG 9 HB2 ARG 9 111.860 -2.371 10.733 65 2HB ARG 9 HB1 ARG 9 113.363 -2.478 11.652 66 1HG ARG 9 HG2 ARG 9 113.357 -0.116 12.096 67 2HG ARG 9 HG1 ARG 9 112.036 0.154 10.960 68 1HD ARG 9 HD2 ARG 9 111.570 -1.776 13.191 69 2HD ARG 9 HD1 ARG 9 111.591 -0.057 13.585 70 HE ARG 9 HE ARG 9 109.929 -0.366 11.318 71 1HH1 ARG 9 HH21 ARG 9 110.005 -1.345 14.676 72 2HH1 ARG 9 HH22 ARG 9 108.281 -1.401 14.801 73 1HH2 ARG 9 HH11 ARG 9 107.704 -0.451 11.527 74 2HH2 ARG 9 HH12 ARG 9 106.991 -0.900 13.040 75 H ASP 10 HN ASP 10 113.345 0.931 9.395 76 HA ASP 10 HA ASP 10 110.918 0.956 7.829 77 1HB ASP 10 HB2 ASP 10 112.929 2.966 8.729 78 2HB ASP 10 HB1 ASP 10 111.927 3.396 7.343 79 H GLY 11 HN GLY 11 114.343 1.563 6.979 80 1HA GLY 11 HA2 GLY 11 114.910 0.269 4.784 81 2HA GLY 11 HA1 GLY 11 113.599 1.235 4.108 82 H LEU 12 HN LEU 12 114.540 3.498 6.016 83 HA LEU 12 HA LEU 12 116.037 4.988 4.124 84 1HB LEU 12 HB2 LEU 12 114.750 5.899 6.107 85 2HB LEU 12 HB1 LEU 12 116.099 5.393 7.125 86 HG LEU 12 HG LEU 12 117.494 6.728 5.273 87 1HD1 LEU 12 HD13 LEU 12 115.385 7.239 3.996 88 2HD1 LEU 12 HD12 LEU 12 114.848 8.205 5.370 89 3HD1 LEU 12 HD11 LEU 12 116.292 8.675 4.473 90 1HD2 LEU 12 HD21 LEU 12 117.435 7.154 7.726 91 2HD2 LEU 12 HD23 LEU 12 117.451 8.653 6.797 92 3HD2 LEU 12 HD22 LEU 12 115.947 8.075 7.511 93 H ILE 13 HN ILE 13 118.242 5.304 3.831 94 HA ILE 13 HA ILE 13 120.034 3.472 5.370 95 HB ILE 13 HB ILE 13 121.549 3.657 3.384 96 1HG1 ILE 13 HG12 ILE 13 119.178 5.010 2.065 97 2HG1 ILE 13 HG11 ILE 13 120.588 5.890 2.656 98 1HG2 ILE 13 HG21 ILE 13 118.709 2.709 2.920 99 2HG2 ILE 13 HG23 ILE 13 120.057 2.328 1.849 100 3HG2 ILE 13 HG22 ILE 13 120.064 1.752 3.516 101 1HD1 ILE 13 HD11 ILE 13 120.907 3.557 0.776 102 2HD1 ILE 13 HD13 ILE 13 120.560 5.173 0.161 103 3HD1 ILE 13 HD12 ILE 13 122.029 4.880 1.091 104 H GLY 14 HN GLY 14 119.524 6.776 4.295 105 1HA GLY 14 HA2 GLY 14 121.415 7.744 6.313 106 2HA GLY 14 HA1 GLY 14 121.910 8.069 4.650 107 H LYS 15 HN LYS 15 121.654 10.373 5.433 108 HA LYS 15 HA LYS 15 119.033 11.379 4.591 109 1HB LYS 15 HB2 LYS 15 118.960 10.822 7.140 110 2HB LYS 15 HB1 LYS 15 119.970 12.258 7.315 111 1HG LYS 15 HG2 LYS 15 118.291 13.621 6.177 112 2HG LYS 15 HG1 LYS 15 117.293 12.194 5.892 113 1HD LYS 15 HD2 LYS 15 116.325 13.137 7.816 114 2HD LYS 15 HD1 LYS 15 117.391 11.896 8.478 115 1HE LYS 15 HE2 LYS 15 119.119 13.559 8.920 116 2HE LYS 15 HE1 LYS 15 118.147 14.815 8.153 117 1HZ LYS 15 HZ3 LYS 15 116.407 14.322 9.845 118 2HZ LYS 15 HZ2 LYS 15 117.527 13.323 10.640 119 3HZ LYS 15 HZ1 LYS 15 117.831 14.986 10.482 120 H ASP 16 HN ASP 16 119.489 13.122 3.358 121 HA ASP 16 HA ASP 16 120.610 14.983 2.481 122 1HB ASP 16 HB2 ASP 16 121.105 15.189 5.436 123 2HB ASP 16 HB1 ASP 16 121.921 16.306 4.341 124 H GLY 17 HN GLY 17 121.992 12.311 2.659 125 1HA GLY 17 HA2 GLY 17 124.085 11.747 1.605 126 2HA GLY 17 HA1 GLY 17 124.716 13.327 2.073 127 H HIS 18 HN HIS 18 124.093 13.336 4.800 128 HA HIS 18 HA HIS 18 126.093 11.402 5.794 129 1HB HIS 18 HB2 HIS 18 125.880 12.707 7.926 130 2HB HIS 18 HB1 HIS 18 126.335 13.703 6.544 131 HD1 HIS 18 HD1 HIS 18 123.279 12.789 8.608 132 HD2 HIS 18 HD2 HIS 18 124.532 15.750 5.953 133 HE1 HIS 18 HE1 HIS 18 121.478 14.570 8.618 134 H LEU 19 HN LEU 19 125.584 10.283 7.919 135 HA LEU 19 HA LEU 19 122.976 8.946 7.676 136 1HB LEU 19 HB2 LEU 19 125.440 8.496 9.359 137 2HB LEU 19 HB1 LEU 19 123.939 7.630 9.690 138 HG LEU 19 HG LEU 19 124.930 7.689 6.870 139 1HD1 LEU 19 HD12 LEU 19 126.875 7.134 8.460 140 2HD1 LEU 19 HD11 LEU 19 125.973 5.676 8.868 141 3HD1 LEU 19 HD13 LEU 19 126.510 5.944 7.210 142 1HD2 LEU 19 HD23 LEU 19 122.769 6.640 7.497 143 2HD2 LEU 19 HD22 LEU 19 123.908 5.447 6.873 144 3HD2 LEU 19 HD21 LEU 19 123.622 5.571 8.609 145 HA PRO 20 HA PRO 20 121.053 11.335 10.922 146 1HB PRO 20 HB2 PRO 20 119.021 9.521 11.510 147 2HB PRO 20 HB1 PRO 20 118.976 10.733 10.222 148 1HG PRO 20 HG2 PRO 20 119.148 7.864 9.990 149 2HG PRO 20 HG1 PRO 20 118.950 9.071 8.712 150 1HD PRO 20 HD2 PRO 20 121.339 7.609 9.466 151 2HD PRO 20 HD1 PRO 20 121.078 8.676 8.077 152 H TRP 21 HN TRP 21 121.947 7.972 11.448 153 HA TRP 21 HA TRP 21 121.993 8.478 14.395 154 1HB TRP 21 HB2 TRP 21 122.027 5.978 14.594 155 2HB TRP 21 HB1 TRP 21 120.568 6.594 13.820 156 HD1 TRP 21 HD1 TRP 21 123.981 5.058 12.887 157 HE1 TRP 21 HE1 TRP 21 123.725 3.826 10.636 158 HE3 TRP 21 HE3 TRP 21 119.156 6.286 11.751 159 HZ2 TRP 21 HZ2 TRP 21 121.736 3.414 8.622 160 HZ3 TRP 21 HZ3 TRP 21 118.107 5.461 9.663 161 HH2 TRP 21 HH2 TRP 21 119.389 4.028 8.099 162 H HIS 22 HN HIS 22 123.764 6.682 15.294 163 HA HIS 22 HA HIS 22 126.248 6.888 13.685 164 1HB HIS 22 HB2 HIS 22 126.051 8.910 15.224 165 2HB HIS 22 HB1 HIS 22 126.166 7.784 16.577 166 HD1 HIS 22 HD1 HIS 22 128.106 7.774 13.295 167 HD2 HIS 22 HD2 HIS 22 128.798 8.074 17.396 168 HE1 HIS 22 HE1 HIS 22 130.621 7.780 13.599 169 H LEU 23 HN LEU 23 126.500 4.669 13.531 170 HA LEU 23 HA LEU 23 126.529 3.130 16.096 171 1HB LEU 23 HB2 LEU 23 124.913 2.562 14.078 172 2HB LEU 23 HB1 LEU 23 126.356 1.790 13.419 173 HG LEU 23 HG LEU 23 126.597 0.568 15.620 174 1HD1 LEU 23 HD12 LEU 23 124.025 2.048 16.076 175 2HD1 LEU 23 HD11 LEU 23 124.236 0.452 16.795 176 3HD1 LEU 23 HD13 LEU 23 125.357 1.754 17.195 177 1HD2 LEU 23 HD21 LEU 23 125.513 -0.386 13.536 178 2HD2 LEU 23 HD23 LEU 23 124.961 -1.113 15.045 179 3HD2 LEU 23 HD22 LEU 23 123.953 0.075 14.218 180 HA PRO 24 HA PRO 24 131.006 3.666 14.860 181 1HB PRO 24 HB2 PRO 24 131.541 2.714 17.544 182 2HB PRO 24 HB1 PRO 24 131.880 4.303 16.846 183 1HG PRO 24 HG2 PRO 24 129.786 3.551 18.671 184 2HG PRO 24 HG1 PRO 24 130.213 5.161 18.078 185 1HD PRO 24 HD2 PRO 24 127.901 3.733 17.420 186 2HD PRO 24 HD1 PRO 24 128.524 5.156 16.569 187 H ASP 25 HN ASP 25 129.254 1.045 16.445 188 HA ASP 25 HA ASP 25 131.245 -0.990 16.197 189 1HB ASP 25 HB2 ASP 25 129.056 -1.082 17.524 190 2HB ASP 25 HB1 ASP 25 128.263 -1.453 15.994 191 H ASP 26 HN ASP 26 128.678 0.095 13.986 192 HA ASP 26 HA ASP 26 129.055 -1.906 11.986 193 1HB ASP 26 HB2 ASP 26 127.157 -0.185 12.180 194 2HB ASP 26 HB1 ASP 26 128.263 0.954 11.411 195 H LEU 27 HN LEU 27 130.813 1.040 12.725 196 HA LEU 27 HA LEU 27 132.231 1.269 10.233 197 1HB LEU 27 HB2 LEU 27 132.829 2.224 13.041 198 2HB LEU 27 HB1 LEU 27 133.896 2.568 11.679 199 HG LEU 27 HG LEU 27 130.944 3.251 11.726 200 1HD1 LEU 27 HD12 LEU 27 133.391 4.771 12.571 201 2HD1 LEU 27 HD11 LEU 27 132.048 5.645 11.833 202 3HD1 LEU 27 HD13 LEU 27 131.793 4.727 13.317 203 1HD2 LEU 27 HD22 LEU 27 133.243 3.772 9.839 204 2HD2 LEU 27 HD21 LEU 27 131.658 3.090 9.474 205 3HD2 LEU 27 HD23 LEU 27 131.814 4.806 9.845 206 H HIS 28 HN HIS 28 132.749 -0.616 13.161 207 HA HIS 28 HA HIS 28 135.457 -1.400 12.654 208 1HB HIS 28 HB2 HIS 28 133.269 -2.925 14.101 209 2HB HIS 28 HB1 HIS 28 134.999 -3.246 14.221 210 HD1 HIS 28 HD1 HIS 28 135.861 -0.191 14.296 211 HD2 HIS 28 HD2 HIS 28 132.974 -1.948 16.737 212 HE1 HIS 28 HE1 HIS 28 135.679 1.271 16.356 213 H TYR 29 HN TYR 29 132.347 -2.935 11.810 214 HA TYR 29 HA TYR 29 133.569 -5.162 10.424 215 1HB TYR 29 HB2 TYR 29 131.194 -5.056 11.359 216 2HB TYR 29 HB1 TYR 29 130.786 -4.071 9.953 217 HD1 TYR 29 HD1 TYR 29 132.595 -7.266 10.756 218 HD2 TYR 29 HD2 TYR 29 129.990 -5.167 8.061 219 HE1 TYR 29 HE1 TYR 29 132.361 -9.317 9.385 220 HE2 TYR 29 HE2 TYR 29 129.757 -7.220 6.689 221 HH TYR 29 HH TYR 29 131.468 -9.444 6.406 222 H PHE 30 HN PHE 30 132.572 -1.921 9.503 223 HA PHE 30 HA PHE 30 132.617 -2.304 6.655 224 1HB PHE 30 HB2 PHE 30 131.604 -0.328 7.834 225 2HB PHE 30 HB1 PHE 30 133.235 0.237 8.193 226 HD1 PHE 30 HD2 PHE 30 130.975 -0.719 5.377 227 HD2 PHE 30 HD1 PHE 30 134.471 1.461 6.592 228 HE1 PHE 30 HE2 PHE 30 131.111 0.316 3.128 229 HE2 PHE 30 HE1 PHE 30 134.608 2.497 4.343 230 HZ PHE 30 HZ PHE 30 132.927 1.924 2.610 231 H ARG 31 HN ARG 31 135.102 -1.360 9.012 232 HA ARG 31 HA ARG 31 137.169 -0.813 7.095 233 1HB ARG 31 HB2 ARG 31 137.221 -0.116 9.505 234 2HB ARG 31 HB1 ARG 31 137.497 -1.803 9.942 235 1HG ARG 31 HG2 ARG 31 139.441 -1.563 8.123 236 2HG ARG 31 HG1 ARG 31 139.332 0.132 8.598 237 1HD ARG 31 HD2 ARG 31 139.819 -0.364 10.873 238 2HD ARG 31 HD1 ARG 31 139.537 -2.089 10.636 239 HE ARG 31 HE ARG 31 141.745 -2.281 9.843 240 1HH1 ARG 31 HH11 ARG 31 140.728 1.065 9.755 241 2HH1 ARG 31 HH12 ARG 31 142.299 1.634 9.310 242 1HH2 ARG 31 HH21 ARG 31 143.760 -1.500 9.266 243 2HH2 ARG 31 HH22 ARG 31 143.998 0.201 9.036 244 H ALA 32 HN ALA 32 136.091 -3.766 8.711 245 HA ALA 32 HA ALA 32 138.310 -5.393 7.800 246 1HB ALA 32 HB1 ALA 32 135.541 -6.124 8.793 247 2HB ALA 32 HB3 ALA 32 136.810 -7.301 8.455 248 3HB ALA 32 HB2 ALA 32 137.033 -6.108 9.734 249 H GLN 33 HN GLN 33 135.195 -4.468 6.466 250 HA GLN 33 HA GLN 33 135.558 -6.359 4.199 251 1HB GLN 33 HB2 GLN 33 133.240 -4.580 5.011 252 2HB GLN 33 HB1 GLN 33 133.252 -5.582 3.560 253 1HG GLN 33 HG2 GLN 33 133.911 -6.861 6.186 254 2HG GLN 33 HG1 GLN 33 132.223 -6.507 5.820 255 1HE2 GLN 33 HE22 GLN 33 132.130 -8.813 3.025 256 2HE2 GLN 33 HE21 GLN 33 131.522 -7.305 3.514 257 H THR 34 HN THR 34 137.362 -4.127 4.453 258 HA THR 34 HA THR 34 136.792 -2.807 1.861 259 HB THR 34 HB THR 34 137.516 -0.591 2.893 260 HG1 THR 34 HG1 THR 34 136.818 -1.956 5.275 261 1HG2 THR 34 HG23 THR 34 134.931 -1.911 3.757 262 2HG2 THR 34 HG22 THR 34 135.244 -0.181 3.898 263 3HG2 THR 34 HG21 THR 34 135.198 -0.943 2.308 264 H VAL 35 HN VAL 35 139.091 -3.153 4.572 265 HA VAL 35 HA VAL 35 141.428 -2.340 3.167 266 HB VAL 35 HB VAL 35 142.660 -3.663 4.888 267 1HG1 VAL 35 HG11 VAL 35 141.666 -1.363 5.308 268 2HG1 VAL 35 HG13 VAL 35 140.317 -2.176 6.100 269 3HG1 VAL 35 HG12 VAL 35 141.947 -2.332 6.756 270 1HG2 VAL 35 HG22 VAL 35 139.950 -4.849 5.179 271 2HG2 VAL 35 HG21 VAL 35 141.532 -5.576 5.459 272 3HG2 VAL 35 HG23 VAL 35 140.813 -4.530 6.683 273 H GLY 36 HN GLY 36 142.320 -3.260 1.400 274 1HA GLY 36 HA2 GLY 36 143.321 -5.029 0.147 275 2HA GLY 36 HA1 GLY 36 142.539 -6.195 1.215 276 H LYS 37 HN LYS 37 140.733 -3.571 -0.244 277 HA LYS 37 HA LYS 37 139.654 -5.363 -2.345 278 1HB LYS 37 HB2 LYS 37 137.993 -4.099 -0.145 279 2HB LYS 37 HB1 LYS 37 137.305 -4.759 -1.629 280 1HG LYS 37 HG2 LYS 37 139.036 -6.335 0.298 281 2HG LYS 37 HG1 LYS 37 137.274 -6.388 0.273 282 1HD LYS 37 HD2 LYS 37 137.452 -7.038 -2.184 283 2HD LYS 37 HD1 LYS 37 139.179 -7.264 -1.908 284 1HE LYS 37 HE2 LYS 37 138.276 -9.416 -1.556 285 2HE LYS 37 HE1 LYS 37 138.459 -8.767 0.074 286 1HZ LYS 37 HZ3 LYS 37 136.113 -8.023 -0.079 287 2HZ LYS 37 HZ2 LYS 37 135.978 -8.860 -1.551 288 3HZ LYS 37 HZ1 LYS 37 136.296 -9.709 -0.114 289 H ILE 38 HN ILE 38 137.699 -3.879 -3.401 290 HA ILE 38 HA ILE 38 139.036 -1.279 -4.014 291 HB ILE 38 HB ILE 38 136.959 -2.766 -5.649 292 1HG1 ILE 38 HG12 ILE 38 139.949 -2.588 -6.117 293 2HG1 ILE 38 HG11 ILE 38 139.164 -3.977 -5.364 294 1HG2 ILE 38 HG23 ILE 38 138.651 -0.305 -6.072 295 2HG2 ILE 38 HG22 ILE 38 138.027 -1.227 -7.440 296 3HG2 ILE 38 HG21 ILE 38 136.911 -0.493 -6.288 297 1HD1 ILE 38 HD13 ILE 38 137.675 -4.112 -7.415 298 2HD1 ILE 38 HD12 ILE 38 138.729 -2.912 -8.165 299 3HD1 ILE 38 HD11 ILE 38 139.374 -4.487 -7.703 300 H MET 39 HN MET 39 138.121 0.180 -2.599 301 HA MET 39 HA MET 39 135.297 0.076 -1.876 302 1HB MET 39 HB2 MET 39 137.363 1.054 -0.547 303 2HB MET 39 HB1 MET 39 136.992 2.516 -1.462 304 1HG MET 39 HG2 MET 39 134.594 2.280 -0.679 305 2HG MET 39 HG1 MET 39 135.150 1.003 0.403 306 1HE MET 39 HE2 MET 39 135.504 4.305 -0.968 307 2HE MET 39 HE1 MET 39 135.593 5.417 0.395 308 3HE MET 39 HE3 MET 39 137.075 4.757 -0.312 309 H VAL 40 HN VAL 40 133.779 0.658 -3.344 310 HA VAL 40 HA VAL 40 134.404 2.907 -5.212 311 HB VAL 40 HB VAL 40 132.280 0.762 -5.501 312 1HG1 VAL 40 HG11 VAL 40 133.393 2.832 -7.422 313 2HG1 VAL 40 HG13 VAL 40 132.224 1.581 -7.845 314 3HG1 VAL 40 HG12 VAL 40 131.784 2.848 -6.700 315 1HG2 VAL 40 HG23 VAL 40 135.077 0.999 -6.646 316 2HG2 VAL 40 HG22 VAL 40 134.440 -0.305 -5.645 317 3HG2 VAL 40 HG21 VAL 40 133.854 -0.094 -7.294 318 H VAL 41 HN VAL 41 133.389 4.780 -4.733 319 HA VAL 41 HA VAL 41 130.621 4.708 -3.674 320 HB VAL 41 HB VAL 41 131.230 6.387 -1.913 321 1HG1 VAL 41 HG12 VAL 41 131.129 3.805 -1.620 322 2HG1 VAL 41 HG11 VAL 41 132.887 3.899 -1.527 323 3HG1 VAL 41 HG13 VAL 41 131.894 4.757 -0.349 324 1HG2 VAL 41 HG21 VAL 41 133.413 6.983 -3.153 325 2HG2 VAL 41 HG23 VAL 41 133.503 6.853 -1.396 326 3HG2 VAL 41 HG22 VAL 41 134.088 5.533 -2.410 327 H GLY 42 HN GLY 42 129.614 6.902 -3.782 328 1HA GLY 42 HA2 GLY 42 130.496 8.286 -6.228 329 2HA GLY 42 HA1 GLY 42 128.993 8.584 -5.352 330 H ARG 43 HN ARG 43 129.679 10.898 -5.694 331 HA ARG 43 HA ARG 43 131.952 11.861 -4.107 332 1HB ARG 43 HB2 ARG 43 131.059 12.881 -6.308 333 2HB ARG 43 HB1 ARG 43 129.783 13.581 -5.311 334 1HG ARG 43 HG2 ARG 43 131.373 14.783 -3.971 335 2HG ARG 43 HG1 ARG 43 132.727 13.916 -4.695 336 1HD ARG 43 HD2 ARG 43 132.621 15.115 -6.672 337 2HD ARG 43 HD1 ARG 43 130.895 15.433 -6.508 338 HE ARG 43 HE ARG 43 133.023 17.114 -5.509 339 1HH1 ARG 43 HH11 ARG 43 129.781 15.989 -4.832 340 2HH1 ARG 43 HH12 ARG 43 129.379 17.392 -3.907 341 1HH2 ARG 43 HH21 ARG 43 132.459 18.913 -4.305 342 2HH2 ARG 43 HH22 ARG 43 130.877 19.032 -3.610 343 H ARG 44 HN ARG 44 128.469 11.564 -3.764 344 HA ARG 44 HA ARG 44 128.169 13.344 -1.523 345 1HB ARG 44 HB2 ARG 44 126.550 11.205 -2.815 346 2HB ARG 44 HB1 ARG 44 126.149 11.601 -1.143 347 1HG ARG 44 HG2 ARG 44 125.928 13.978 -1.748 348 2HG ARG 44 HG1 ARG 44 126.347 13.597 -3.419 349 1HD ARG 44 HD2 ARG 44 124.338 12.448 -3.797 350 2HD ARG 44 HD1 ARG 44 124.055 12.184 -2.076 351 HE ARG 44 HE ARG 44 123.041 14.308 -1.967 352 1HH1 ARG 44 HH21 ARG 44 124.894 14.006 -4.918 353 2HH1 ARG 44 HH22 ARG 44 124.303 15.497 -5.561 354 1HH2 ARG 44 HH11 ARG 44 122.304 16.233 -2.836 355 2HH2 ARG 44 HH12 ARG 44 122.852 16.747 -4.396 356 H THR 45 HN THR 45 128.814 9.855 -1.784 357 HA THR 45 HA THR 45 128.850 9.493 1.118 358 HB THR 45 HB THR 45 129.963 7.597 -0.960 359 HG1 THR 45 HG1 THR 45 128.002 7.168 -1.550 360 1HG2 THR 45 HG23 THR 45 128.781 7.260 1.809 361 2HG2 THR 45 HG22 THR 45 129.194 5.920 0.738 362 3HG2 THR 45 HG21 THR 45 130.459 6.994 1.335 363 H TYR 46 HN TYR 46 131.204 10.045 -1.446 364 HA TYR 46 HA TYR 46 133.570 9.384 0.016 365 1HB TYR 46 HB2 TYR 46 133.440 9.822 -2.463 366 2HB TYR 46 HB1 TYR 46 133.288 11.540 -2.095 367 HD1 TYR 46 HD2 TYR 46 135.428 8.672 -0.942 368 HD2 TYR 46 HD1 TYR 46 135.258 12.757 -2.262 369 HE1 TYR 46 HE2 TYR 46 137.892 8.846 -0.721 370 HE2 TYR 46 HE1 TYR 46 137.722 12.930 -2.041 371 HH TYR 46 HH TYR 46 139.679 11.399 -2.045 372 H GLU 47 HN GLU 47 131.638 12.345 -0.164 373 HA GLU 47 HA GLU 47 133.502 13.913 1.435 374 1HB GLU 47 HB2 GLU 47 130.742 14.310 0.335 375 2HB GLU 47 HB1 GLU 47 131.299 15.371 1.629 376 1HG GLU 47 HG2 GLU 47 132.998 14.862 -0.810 377 2HG GLU 47 HG1 GLU 47 131.760 16.119 -0.803 378 H SER 48 HN SER 48 130.904 11.693 2.117 379 HA SER 48 HA SER 48 130.137 12.632 4.700 380 1HB SER 48 HB2 SER 48 130.218 9.779 3.672 381 2HB SER 48 HB1 SER 48 129.304 10.347 5.066 382 HG SER 48 HG SER 48 128.012 10.265 3.188 383 H PHE 49 HN PHE 49 132.937 10.826 3.600 384 HA PHE 49 HA PHE 49 133.732 9.879 6.219 385 1HB PHE 49 HB2 PHE 49 135.434 10.315 3.748 386 2HB PHE 49 HB1 PHE 49 135.861 9.326 5.146 387 HD1 PHE 49 HD2 PHE 49 133.654 7.725 5.813 388 HD2 PHE 49 HD1 PHE 49 134.844 9.038 1.900 389 HE1 PHE 49 HE2 PHE 49 132.475 5.790 4.805 390 HE2 PHE 49 HE1 PHE 49 133.665 7.102 0.893 391 HZ PHE 49 HZ PHE 49 132.481 5.478 2.345 392 HA PRO 50 HA PRO 50 135.572 13.684 7.689 393 1HB PRO 50 HB2 PRO 50 137.082 12.547 9.727 394 2HB PRO 50 HB1 PRO 50 135.374 12.989 9.849 395 1HG PRO 50 HG2 PRO 50 136.561 10.357 9.805 396 2HG PRO 50 HG1 PRO 50 134.879 10.813 10.107 397 1HD PRO 50 HD2 PRO 50 136.043 9.701 7.697 398 2HD PRO 50 HD1 PRO 50 134.339 10.002 8.073 399 H LYS 51 HN LYS 51 137.850 10.914 7.723 400 HA LYS 51 HA LYS 51 140.028 12.744 6.863 401 1HB LYS 51 HB2 LYS 51 140.160 10.925 8.767 402 2HB LYS 51 HB1 LYS 51 140.414 9.817 7.419 403 1HG LYS 51 HG2 LYS 51 142.215 11.486 6.626 404 2HG LYS 51 HG1 LYS 51 142.107 12.174 8.246 405 1HD LYS 51 HD2 LYS 51 142.651 10.006 9.240 406 2HD LYS 51 HD1 LYS 51 142.677 9.257 7.643 407 1HE LYS 51 HE2 LYS 51 144.481 10.974 7.035 408 2HE LYS 51 HE1 LYS 51 144.584 11.317 8.762 409 1HZ LYS 51 HZ2 LYS 51 144.972 8.920 9.120 410 2HZ LYS 51 HZ1 LYS 51 145.033 8.701 7.436 411 3HZ LYS 51 HZ3 LYS 51 146.196 9.665 8.206 412 H ARG 52 HN ARG 52 139.534 13.028 4.649 413 HA ARG 52 HA ARG 52 139.375 10.569 2.982 414 1HB ARG 52 HB2 ARG 52 138.902 13.459 2.191 415 2HB ARG 52 HB1 ARG 52 138.559 12.035 1.207 416 1HG ARG 52 HG2 ARG 52 136.865 11.286 2.757 417 2HG ARG 52 HG1 ARG 52 137.300 12.545 3.915 418 1HD ARG 52 HD2 ARG 52 136.120 12.972 1.155 419 2HD ARG 52 HD1 ARG 52 135.300 13.234 2.694 420 HE ARG 52 HE ARG 52 137.227 15.034 1.444 421 1HH1 ARG 52 HH21 ARG 52 135.803 13.990 4.465 422 2HH1 ARG 52 HH22 ARG 52 136.156 15.483 5.261 423 1HH2 ARG 52 HH11 ARG 52 137.664 16.947 2.516 424 2HH2 ARG 52 HH12 ARG 52 137.199 17.140 4.174 425 HA PRO 53 HA PRO 53 139.776 9.775 1.100 426 1HB PRO 53 HB2 PRO 53 141.736 8.116 0.004 427 2HB PRO 53 HB1 PRO 53 140.823 9.350 -0.876 428 1HG PRO 53 HG2 PRO 53 143.614 9.336 -0.241 429 2HG PRO 53 HG1 PRO 53 142.698 10.562 -1.129 430 1HD PRO 53 HD2 PRO 53 143.616 10.597 1.657 431 2HD PRO 53 HD1 PRO 53 143.060 11.939 0.641 432 H LEU 54 HN LEU 54 140.110 7.162 1.284 433 HA LEU 54 HA LEU 54 140.887 6.715 4.112 434 1HB LEU 54 HB2 LEU 54 139.352 4.974 2.160 435 2HB LEU 54 HB1 LEU 54 139.664 4.566 3.848 436 HG LEU 54 HG LEU 54 138.289 7.135 3.048 437 1HD1 LEU 54 HD11 LEU 54 137.141 4.382 3.523 438 2HD1 LEU 54 HD13 LEU 54 136.186 5.842 3.781 439 3HD1 LEU 54 HD12 LEU 54 136.827 5.479 2.180 440 1HD2 LEU 54 HD23 LEU 54 139.383 6.479 5.404 441 2HD2 LEU 54 HD22 LEU 54 137.876 7.391 5.307 442 3HD2 LEU 54 HD21 LEU 54 137.838 5.653 5.603 443 HA PRO 55 HA PRO 55 144.624 4.814 2.338 444 1HB PRO 55 HB2 PRO 55 145.851 4.617 4.869 445 2HB PRO 55 HB1 PRO 55 146.081 5.907 3.682 446 1HG PRO 55 HG2 PRO 55 144.791 6.069 6.219 447 2HG PRO 55 HG1 PRO 55 144.999 7.349 5.016 448 1HD PRO 55 HD2 PRO 55 142.612 5.791 5.649 449 2HD PRO 55 HD1 PRO 55 142.759 7.274 4.695 450 H GLU 56 HN GLU 56 145.958 2.799 3.122 451 HA GLU 56 HA GLU 56 145.971 0.509 3.613 452 1HB GLU 56 HB2 GLU 56 145.059 1.678 5.873 453 2HB GLU 56 HB1 GLU 56 143.647 0.706 5.458 454 1HG GLU 56 HG2 GLU 56 145.021 -0.691 6.827 455 2HG GLU 56 HG1 GLU 56 145.249 -1.259 5.173 456 H ARG 57 HN ARG 57 144.243 1.589 1.482 457 HA ARG 57 HA ARG 57 142.848 -0.792 0.765 458 1HB ARG 57 HB2 ARG 57 140.502 0.066 0.934 459 2HB ARG 57 HB1 ARG 57 141.254 -0.195 2.508 460 1HG ARG 57 HG2 ARG 57 141.950 2.299 2.357 461 2HG ARG 57 HG1 ARG 57 140.731 2.412 1.087 462 1HD ARG 57 HD2 ARG 57 139.358 2.860 2.870 463 2HD ARG 57 HD1 ARG 57 139.292 1.100 2.954 464 HE ARG 57 HE ARG 57 141.533 2.063 4.470 465 1HH1 ARG 57 HH11 ARG 57 138.042 1.849 4.547 466 2HH1 ARG 57 HH12 ARG 57 137.982 1.846 6.276 467 1HH2 ARG 57 HH21 ARG 57 141.406 2.055 6.702 468 2HH2 ARG 57 HH22 ARG 57 139.864 1.961 7.484 469 H THR 58 HN THR 58 141.577 -0.469 -1.271 470 HA THR 58 HA THR 58 142.846 1.627 -2.912 471 HB THR 58 HB THR 58 140.855 -0.499 -3.751 472 HG1 THR 58 HG1 THR 58 142.465 -1.849 -3.799 473 1HG2 THR 58 HG21 THR 58 142.609 1.477 -5.157 474 2HG2 THR 58 HG23 THR 58 142.317 -0.086 -5.920 475 3HG2 THR 58 HG22 THR 58 140.961 0.974 -5.536 476 H ASN 59 HN ASN 59 141.870 3.553 -3.259 477 HA ASN 59 HA ASN 59 139.011 3.865 -2.538 478 1HB ASN 59 HB2 ASN 59 140.930 6.044 -3.394 479 2HB ASN 59 HB1 ASN 59 139.428 6.222 -2.488 480 1HD2 ASN 59 HD22 ASN 59 141.213 4.398 0.349 481 2HD2 ASN 59 HD21 ASN 59 139.975 3.902 -0.699 482 H VAL 60 HN VAL 60 137.438 4.425 -4.025 483 HA VAL 60 HA VAL 60 138.250 4.974 -6.830 484 HB VAL 60 HB VAL 60 136.203 2.864 -6.086 485 1HG1 VAL 60 HG12 VAL 60 135.824 4.061 -8.234 486 2HG1 VAL 60 HG11 VAL 60 137.453 3.618 -8.745 487 3HG1 VAL 60 HG13 VAL 60 136.240 2.365 -8.485 488 1HG2 VAL 60 HG22 VAL 60 139.117 2.705 -6.841 489 2HG2 VAL 60 HG21 VAL 60 138.265 1.861 -5.548 490 3HG2 VAL 60 HG23 VAL 60 138.018 1.380 -7.226 491 H VAL 61 HN VAL 61 137.381 7.026 -6.879 492 HA VAL 61 HA VAL 61 134.631 7.444 -5.837 493 HB VAL 61 HB VAL 61 136.583 9.476 -6.956 494 1HG1 VAL 61 HG12 VAL 61 133.922 9.610 -5.555 495 2HG1 VAL 61 HG11 VAL 61 135.068 10.942 -5.413 496 3HG1 VAL 61 HG13 VAL 61 134.458 10.470 -6.999 497 1HG2 VAL 61 HG22 VAL 61 136.121 8.417 -4.164 498 2HG2 VAL 61 HG21 VAL 61 137.648 8.583 -5.030 499 3HG2 VAL 61 HG23 VAL 61 136.808 10.017 -4.441 500 H LEU 62 HN LEU 62 132.928 8.078 -7.181 501 HA LEU 62 HA LEU 62 133.486 8.130 -10.118 502 1HB LEU 62 HB2 LEU 62 132.512 5.934 -9.405 503 2HB LEU 62 HB1 LEU 62 131.102 6.799 -8.793 504 HG LEU 62 HG LEU 62 130.976 7.825 -11.180 505 1HD1 LEU 62 HD12 LEU 62 132.823 5.462 -11.565 506 2HD1 LEU 62 HD11 LEU 62 131.847 6.117 -12.879 507 3HD1 LEU 62 HD13 LEU 62 133.065 7.126 -12.096 508 1HD2 LEU 62 HD23 LEU 62 130.259 5.040 -10.318 509 2HD2 LEU 62 HD22 LEU 62 129.201 6.416 -10.633 510 3HD2 LEU 62 HD21 LEU 62 129.926 5.535 -11.978 511 H THR 63 HN THR 63 133.109 10.264 -10.574 512 HA THR 63 HA THR 63 130.460 11.377 -9.759 513 HB THR 63 HB THR 63 132.130 12.413 -8.315 514 HG1 THR 63 HG1 THR 63 131.298 14.301 -8.673 515 1HG2 THR 63 HG22 THR 63 133.562 13.034 -10.913 516 2HG2 THR 63 HG21 THR 63 134.007 13.706 -9.343 517 3HG2 THR 63 HG23 THR 63 134.130 11.969 -9.626 518 H HIS 64 HN HIS 64 130.246 13.601 -11.140 519 HA HIS 64 HA HIS 64 130.855 12.823 -13.964 520 1HB HIS 64 HB2 HIS 64 128.882 14.256 -14.550 521 2HB HIS 64 HB1 HIS 64 128.460 12.875 -13.538 522 HD1 HIS 64 HD1 HIS 64 126.812 13.574 -11.814 523 HD2 HIS 64 HD2 HIS 64 129.624 16.567 -12.529 524 HE1 HIS 64 HE1 HIS 64 126.254 15.472 -10.234 525 H GLN 65 HN GLN 65 132.608 14.352 -12.117 526 HA GLN 65 HA GLN 65 132.644 16.973 -13.560 527 1HB GLN 65 HB2 GLN 65 132.412 16.764 -10.924 528 2HB GLN 65 HB1 GLN 65 134.159 16.540 -11.012 529 1HG GLN 65 HG2 GLN 65 134.311 18.641 -12.364 530 2HG GLN 65 HG1 GLN 65 132.584 18.888 -12.104 531 1HE2 GLN 65 HE22 GLN 65 135.067 20.212 -9.314 532 2HE2 GLN 65 HE21 GLN 65 135.495 19.904 -10.927 533 H GLU 66 HN GLU 66 134.165 16.918 -15.135 534 HA GLU 66 HA GLU 66 136.379 15.039 -15.096 535 1HB GLU 66 HB2 GLU 66 135.596 17.318 -16.914 536 2HB GLU 66 HB1 GLU 66 137.096 16.419 -17.144 537 1HG GLU 66 HG2 GLU 66 135.823 14.316 -17.299 538 2HG GLU 66 HG1 GLU 66 134.319 15.203 -17.053 539 H ASP 67 HN ASP 67 135.950 17.989 -13.504 540 HA ASP 67 HA ASP 67 138.868 18.601 -13.603 541 1HB ASP 67 HB2 ASP 67 136.450 20.261 -12.877 542 2HB ASP 67 HB1 ASP 67 138.089 20.770 -12.470 543 H TYR 68 HN TYR 68 137.312 16.508 -11.921 544 HA TYR 68 HA TYR 68 137.855 17.517 -9.189 545 1HB TYR 68 HB2 TYR 68 135.801 16.057 -9.987 546 2HB TYR 68 HB1 TYR 68 136.934 14.721 -9.771 547 HD1 TYR 68 HD1 TYR 68 135.574 17.739 -8.019 548 HD2 TYR 68 HD2 TYR 68 137.317 13.832 -7.632 549 HE1 TYR 68 HE1 TYR 68 135.205 17.817 -5.569 550 HE2 TYR 68 HE2 TYR 68 136.948 13.911 -5.181 551 HH TYR 68 HH TYR 68 136.701 16.010 -3.427 552 H GLN 69 HN GLN 69 140.186 17.590 -9.385 553 HA GLN 69 HA GLN 69 141.616 15.071 -9.931 554 1HB GLN 69 HB2 GLN 69 142.527 17.870 -9.217 555 2HB GLN 69 HB1 GLN 69 143.644 16.516 -9.396 556 1HG GLN 69 HG2 GLN 69 142.516 16.151 -11.699 557 2HG GLN 69 HG1 GLN 69 141.888 17.786 -11.493 558 1HE2 GLN 69 HE22 GLN 69 145.409 17.639 -13.091 559 2HE2 GLN 69 HE21 GLN 69 144.084 16.607 -13.340 560 H ALA 70 HN ALA 70 141.515 13.610 -8.283 561 HA ALA 70 HA ALA 70 141.976 14.616 -5.502 562 1HB ALA 70 HB2 ALA 70 139.734 13.520 -5.994 563 2HB ALA 70 HB1 ALA 70 140.620 12.021 -6.271 564 3HB ALA 70 HB3 ALA 70 140.657 12.786 -4.682 565 H GLN 71 HN GLN 71 144.194 14.357 -5.320 566 HA GLN 71 HA GLN 71 145.676 12.168 -6.449 567 1HB GLN 71 HB2 GLN 71 146.241 14.244 -4.346 568 2HB GLN 71 HB1 GLN 71 147.376 12.918 -4.603 569 1HG GLN 71 HG2 GLN 71 146.364 14.512 -6.945 570 2HG GLN 71 HG1 GLN 71 147.697 15.126 -5.965 571 1HE2 GLN 71 HE22 GLN 71 149.894 12.381 -6.904 572 2HE2 GLN 71 HE21 GLN 71 149.481 13.317 -5.550 573 H GLY 72 HN GLY 72 145.926 10.115 -5.701 574 1HA GLY 72 HA2 GLY 72 146.235 8.470 -3.950 575 2HA GLY 72 HA1 GLY 72 145.389 9.542 -2.833 576 H ALA 73 HN ALA 73 143.245 10.070 -4.853 577 HA ALA 73 HA ALA 73 141.750 7.522 -4.442 578 1HB ALA 73 HB1 ALA 73 140.882 9.733 -3.491 579 2HB ALA 73 HB3 ALA 73 140.578 10.217 -5.159 580 3HB ALA 73 HB2 ALA 73 139.744 8.820 -4.481 581 H VAL 74 HN VAL 74 140.815 6.472 -6.194 582 HA VAL 74 HA VAL 74 141.807 7.250 -8.857 583 HB VAL 74 HB VAL 74 140.061 4.896 -8.071 584 1HG1 VAL 74 HG13 VAL 74 140.086 5.480 -10.486 585 2HG1 VAL 74 HG12 VAL 74 141.846 5.382 -10.477 586 3HG1 VAL 74 HG11 VAL 74 140.881 3.937 -10.178 587 1HG2 VAL 74 HG23 VAL 74 143.060 5.276 -8.133 588 2HG2 VAL 74 HG22 VAL 74 142.067 4.646 -6.819 589 3HG2 VAL 74 HG21 VAL 74 142.324 3.680 -8.272 590 H VAL 75 HN VAL 75 140.562 9.153 -9.263 591 HA VAL 75 HA VAL 75 137.622 8.975 -9.213 592 HB VAL 75 HB VAL 75 139.390 11.209 -10.256 593 1HG1 VAL 75 HG12 VAL 75 136.979 11.178 -10.973 594 2HG1 VAL 75 HG11 VAL 75 136.523 11.242 -9.271 595 3HG1 VAL 75 HG13 VAL 75 137.409 12.584 -9.996 596 1HG2 VAL 75 HG23 VAL 75 138.397 10.505 -7.501 597 2HG2 VAL 75 HG22 VAL 75 140.002 11.047 -7.994 598 3HG2 VAL 75 HG21 VAL 75 138.661 12.192 -7.943 599 H VAL 76 HN VAL 76 136.470 8.253 -10.927 600 HA VAL 76 HA VAL 76 137.716 8.429 -13.643 601 HB VAL 76 HB VAL 76 136.526 6.285 -14.167 602 1HG1 VAL 76 HG13 VAL 76 138.941 6.431 -13.393 603 2HG1 VAL 76 HG12 VAL 76 138.368 6.013 -11.778 604 3HG1 VAL 76 HG11 VAL 76 138.159 4.875 -13.110 605 1HG2 VAL 76 HG23 VAL 76 135.068 6.804 -11.924 606 2HG2 VAL 76 HG22 VAL 76 135.219 5.199 -12.636 607 3HG2 VAL 76 HG21 VAL 76 136.246 5.661 -11.279 608 H HIS 77 HN HIS 77 135.666 7.734 -15.232 609 HA HIS 77 HA HIS 77 133.211 9.138 -14.385 610 1HB HIS 77 HB2 HIS 77 134.824 10.027 -16.797 611 2HB HIS 77 HB1 HIS 77 133.250 10.663 -16.316 612 HD1 HIS 77 HD1 HIS 77 136.882 10.823 -15.488 613 HD2 HIS 77 HD2 HIS 77 133.299 12.272 -13.924 614 HE1 HIS 77 HE1 HIS 77 137.506 12.587 -13.781 615 H ASP 78 HN ASP 78 133.823 6.386 -15.059 616 HA ASP 78 HA ASP 78 131.739 5.949 -17.054 617 1HB ASP 78 HB2 ASP 78 133.964 6.384 -18.328 618 2HB ASP 78 HB1 ASP 78 134.438 4.792 -17.735 619 H VAL 79 HN VAL 79 130.708 4.079 -16.525 620 HA VAL 79 HA VAL 79 131.501 2.517 -14.264 621 HB VAL 79 HB VAL 79 129.607 1.705 -16.489 622 1HG1 VAL 79 HG11 VAL 79 130.287 -0.078 -14.879 623 2HG1 VAL 79 HG13 VAL 79 129.708 0.935 -13.556 624 3HG1 VAL 79 HG12 VAL 79 128.573 0.323 -14.760 625 1HG2 VAL 79 HG23 VAL 79 129.318 3.553 -14.131 626 2HG2 VAL 79 HG22 VAL 79 128.738 3.765 -15.783 627 3HG2 VAL 79 HG21 VAL 79 127.925 2.634 -14.702 628 H ALA 80 HN ALA 80 131.965 2.085 -17.744 629 HA ALA 80 HA ALA 80 132.939 -0.605 -17.663 630 1HB ALA 80 HB2 ALA 80 133.518 1.667 -19.587 631 2HB ALA 80 HB1 ALA 80 134.034 0.001 -19.849 632 3HB ALA 80 HB3 ALA 80 132.316 0.391 -19.783 633 H ALA 81 HN ALA 81 134.515 2.526 -17.194 634 HA ALA 81 HA ALA 81 137.217 1.534 -17.174 635 1HB ALA 81 HB2 ALA 81 136.546 3.956 -17.413 636 2HB ALA 81 HB1 ALA 81 136.139 3.953 -15.697 637 3HB ALA 81 HB3 ALA 81 137.804 3.674 -16.208 638 H VAL 82 HN VAL 82 134.770 2.005 -14.641 639 HA VAL 82 HA VAL 82 136.444 1.380 -12.407 640 HB VAL 82 HB VAL 82 133.477 0.822 -12.692 641 1HG1 VAL 82 HG11 VAL 82 135.239 1.359 -10.282 642 2HG1 VAL 82 HG13 VAL 82 133.490 1.137 -10.238 643 3HG1 VAL 82 HG12 VAL 82 134.537 -0.199 -10.718 644 1HG2 VAL 82 HG22 VAL 82 134.997 3.337 -11.958 645 2HG2 VAL 82 HG21 VAL 82 133.840 3.130 -13.273 646 3HG2 VAL 82 HG23 VAL 82 133.286 3.107 -11.599 647 H PHE 83 HN PHE 83 134.637 -0.647 -14.667 648 HA PHE 83 HA PHE 83 135.116 -3.111 -13.183 649 1HB PHE 83 HB2 PHE 83 133.976 -2.404 -15.867 650 2HB PHE 83 HB1 PHE 83 134.453 -4.072 -15.552 651 HD1 PHE 83 HD1 PHE 83 133.711 -4.897 -13.066 652 HD2 PHE 83 HD2 PHE 83 131.760 -1.872 -15.409 653 HE1 PHE 83 HE1 PHE 83 131.617 -5.257 -11.785 654 HE2 PHE 83 HE2 PHE 83 129.666 -2.232 -14.130 655 HZ PHE 83 HZ PHE 83 129.595 -3.924 -12.317 656 H ALA 84 HN ALA 84 136.688 -1.362 -15.812 657 HA ALA 84 HA ALA 84 138.460 -3.440 -16.665 658 1HB ALA 84 HB3 ALA 84 138.012 -1.215 -17.828 659 2HB ALA 84 HB2 ALA 84 139.095 -0.479 -16.648 660 3HB ALA 84 HB1 ALA 84 139.704 -1.707 -17.758 661 H TYR 85 HN TYR 85 138.679 -1.025 -14.081 662 HA TYR 85 HA TYR 85 141.411 -1.517 -13.370 663 1HB TYR 85 HB2 TYR 85 139.999 0.439 -12.610 664 2HB TYR 85 HB1 TYR 85 139.183 -0.663 -11.502 665 HD1 TYR 85 HD1 TYR 85 142.607 0.498 -12.486 666 HD2 TYR 85 HD2 TYR 85 140.088 -1.067 -9.377 667 HE1 TYR 85 HE1 TYR 85 144.454 0.768 -10.853 668 HE2 TYR 85 HE2 TYR 85 141.935 -0.797 -7.745 669 HH TYR 85 HH TYR 85 144.497 -0.698 -7.870 670 H ALA 86 HN ALA 86 138.379 -3.094 -12.495 671 HA ALA 86 HA ALA 86 139.552 -4.744 -10.406 672 1HB ALA 86 HB2 ALA 86 136.976 -5.090 -11.971 673 2HB ALA 86 HB1 ALA 86 137.412 -5.977 -10.510 674 3HB ALA 86 HB3 ALA 86 137.139 -4.236 -10.437 675 H LYS 87 HN LYS 87 139.062 -5.029 -13.874 676 HA LYS 87 HA LYS 87 139.493 -7.844 -14.128 677 1HB LYS 87 HB2 LYS 87 139.837 -5.496 -15.983 678 2HB LYS 87 HB1 LYS 87 140.345 -7.110 -16.482 679 1HG LYS 87 HG2 LYS 87 138.082 -7.972 -16.025 680 2HG LYS 87 HG1 LYS 87 137.570 -6.365 -15.510 681 1HD LYS 87 HD2 LYS 87 137.799 -5.468 -17.694 682 2HD LYS 87 HD1 LYS 87 138.757 -6.844 -18.244 683 1HE LYS 87 HE2 LYS 87 135.978 -7.344 -17.240 684 2HE LYS 87 HE1 LYS 87 136.186 -6.671 -18.858 685 1HZ LYS 87 HZ3 LYS 87 137.788 -8.525 -19.269 686 2HZ LYS 87 HZ2 LYS 87 137.281 -9.214 -17.802 687 3HZ LYS 87 HZ1 LYS 87 136.174 -9.009 -19.075 688 H GLN 88 HN GLN 88 141.744 -5.087 -14.131 689 HA GLN 88 HA GLN 88 144.103 -6.671 -14.637 690 1HB GLN 88 HB2 GLN 88 143.639 -3.908 -13.513 691 2HB GLN 88 HB1 GLN 88 145.258 -4.602 -13.607 692 1HG GLN 88 HG2 GLN 88 144.744 -5.073 -16.076 693 2HG GLN 88 HG1 GLN 88 143.356 -4.003 -15.878 694 1HE2 GLN 88 HE22 GLN 88 145.614 -1.170 -15.072 695 2HE2 GLN 88 HE21 GLN 88 144.294 -1.937 -14.330 696 H HIS 89 HN HIS 89 142.318 -5.782 -11.744 697 HA HIS 89 HA HIS 89 144.298 -7.333 -10.120 698 1HB HIS 89 HB2 HIS 89 142.475 -5.061 -9.272 699 2HB HIS 89 HB1 HIS 89 143.505 -5.986 -8.180 700 HD1 HIS 89 HD1 HIS 89 143.813 -2.864 -8.865 701 HD2 HIS 89 HD2 HIS 89 146.112 -5.968 -10.435 702 HE1 HIS 89 HE1 HIS 89 145.997 -1.827 -9.621 703 HA PRO 90 HA PRO 90 140.424 -9.817 -9.964 704 1HB PRO 90 HB2 PRO 90 141.873 -12.223 -9.901 705 2HB PRO 90 HB1 PRO 90 141.115 -11.496 -11.323 706 1HG PRO 90 HG2 PRO 90 143.902 -11.797 -10.774 707 2HG PRO 90 HG1 PRO 90 143.139 -11.068 -12.194 708 1HD PRO 90 HD2 PRO 90 144.415 -9.755 -9.918 709 2HD PRO 90 HD1 PRO 90 143.940 -9.074 -11.482 710 H ASP 91 HN ASP 91 143.391 -9.948 -8.081 711 HA ASP 91 HA ASP 91 142.468 -11.618 -5.950 712 1HB ASP 91 HB2 ASP 91 144.861 -10.821 -6.402 713 2HB ASP 91 HB1 ASP 91 144.392 -9.307 -5.629 714 H GLN 92 HN GLN 92 141.988 -8.216 -6.678 715 HA GLN 92 HA GLN 92 140.608 -7.818 -4.071 716 1HB GLN 92 HB2 GLN 92 141.449 -5.868 -6.237 717 2HB GLN 92 HB1 GLN 92 140.566 -5.408 -4.780 718 1HG GLN 92 HG2 GLN 92 142.402 -6.336 -3.393 719 2HG GLN 92 HG1 GLN 92 143.295 -6.726 -4.864 720 1HE2 GLN 92 HE22 GLN 92 144.788 -3.531 -4.548 721 2HE2 GLN 92 HE21 GLN 92 145.030 -5.211 -4.528 722 H GLU 93 HN GLU 93 138.399 -7.493 -3.975 723 HA GLU 93 HA GLU 93 136.899 -7.898 -6.518 724 1HB GLU 93 HB2 GLU 93 135.971 -8.121 -3.637 725 2HB GLU 93 HB1 GLU 93 135.004 -8.505 -5.062 726 1HG GLU 93 HG2 GLU 93 137.670 -9.832 -4.603 727 2HG GLU 93 HG1 GLU 93 136.204 -10.461 -3.851 728 H LEU 94 HN LEU 94 134.747 -6.667 -6.596 729 HA LEU 94 HA LEU 94 135.299 -3.824 -5.966 730 1HB LEU 94 HB2 LEU 94 134.387 -4.875 -8.241 731 2HB LEU 94 HB1 LEU 94 132.836 -4.692 -7.420 732 HG LEU 94 HG LEU 94 133.623 -2.285 -6.894 733 1HD1 LEU 94 HD11 LEU 94 136.001 -2.826 -7.626 734 2HD1 LEU 94 HD13 LEU 94 135.399 -2.833 -9.284 735 3HD1 LEU 94 HD12 LEU 94 135.314 -1.358 -8.320 736 1HD2 LEU 94 HD21 LEU 94 132.924 -3.262 -9.674 737 2HD2 LEU 94 HD23 LEU 94 131.827 -2.633 -8.445 738 3HD2 LEU 94 HD22 LEU 94 132.965 -1.550 -9.248 739 H VAL 95 HN VAL 95 134.142 -2.689 -4.451 740 HA VAL 95 HA VAL 95 131.813 -4.071 -3.176 741 HB VAL 95 HB VAL 95 133.875 -2.361 -1.752 742 1HG1 VAL 95 HG11 VAL 95 131.472 -3.971 -0.866 743 2HG1 VAL 95 HG13 VAL 95 132.742 -3.479 0.255 744 3HG1 VAL 95 HG12 VAL 95 131.792 -2.259 -0.592 745 1HG2 VAL 95 HG21 VAL 95 134.737 -4.584 -2.603 746 2HG2 VAL 95 HG23 VAL 95 134.769 -4.418 -0.847 747 3HG2 VAL 95 HG22 VAL 95 133.500 -5.368 -1.620 748 H ILE 96 HN ILE 96 129.998 -2.859 -3.321 749 HA ILE 96 HA ILE 96 130.263 0.032 -3.969 750 HB ILE 96 HB ILE 96 127.779 -1.706 -4.005 751 1HG1 ILE 96 HG12 ILE 96 129.479 -2.579 -5.572 752 2HG1 ILE 96 HG11 ILE 96 128.136 -1.847 -6.448 753 1HG2 ILE 96 HG21 ILE 96 127.388 0.733 -3.870 754 2HG2 ILE 96 HG23 ILE 96 128.404 0.970 -5.293 755 3HG2 ILE 96 HG22 ILE 96 126.884 0.087 -5.431 756 1HD1 ILE 96 HD11 ILE 96 129.485 0.267 -6.629 757 2HD1 ILE 96 HD13 ILE 96 130.844 -0.593 -5.904 758 3HD1 ILE 96 HD12 ILE 96 130.211 -1.103 -7.469 759 H ALA 97 HN ALA 97 129.974 1.487 -2.360 760 HA ALA 97 HA ALA 97 128.579 0.590 0.123 761 1HB ALA 97 HB3 ALA 97 131.041 1.578 0.015 762 2HB ALA 97 HB2 ALA 97 130.180 3.117 -0.002 763 3HB ALA 97 HB1 ALA 97 129.960 1.998 1.343 764 H GLY 98 HN GLY 98 128.541 2.969 -2.452 765 1HA GLY 98 HA2 GLY 98 125.902 3.649 -2.453 766 2HA GLY 98 HA1 GLY 98 126.519 4.641 -1.132 767 H GLY 99 HN GLY 99 126.916 6.923 -3.947 768 1HA GLY 99 HA2 GLY 99 125.371 6.278 -1.562 769 2HA GLY 99 HA1 GLY 99 125.006 7.558 -2.721 770 H ALA 100 HN ALA 100 122.746 6.830 -2.553 771 HA ALA 100 HA ALA 100 121.878 4.206 -3.278 772 1HB ALA 100 HB2 ALA 100 120.540 6.913 -3.358 773 2HB ALA 100 HB1 ALA 100 119.703 5.448 -3.872 774 3HB ALA 100 HB3 ALA 100 120.278 5.600 -2.210 775 H GLN 101 HN GLN 101 122.534 7.107 -5.210 776 HA GLN 101 HA GLN 101 121.526 6.121 -7.699 777 1HB GLN 101 HB2 GLN 101 122.268 8.518 -7.087 778 2HB GLN 101 HB1 GLN 101 123.905 7.966 -7.450 779 1HG GLN 101 HG2 GLN 101 123.179 7.282 -9.707 780 2HG GLN 101 HG1 GLN 101 121.543 7.837 -9.348 781 1HE2 GLN 101 HE22 GLN 101 122.422 11.321 -9.532 782 2HE2 GLN 101 HE21 GLN 101 121.344 10.238 -8.794 783 H ILE 102 HN ILE 102 124.645 5.752 -6.074 784 HA ILE 102 HA ILE 102 125.987 4.507 -8.314 785 HB ILE 102 HB ILE 102 126.605 4.223 -5.360 786 1HG1 ILE 102 HG12 ILE 102 126.454 6.602 -6.010 787 2HG1 ILE 102 HG11 ILE 102 128.124 6.146 -5.689 788 1HG2 ILE 102 HG22 ILE 102 128.127 3.708 -7.911 789 2HG2 ILE 102 HG21 ILE 102 128.975 4.041 -6.401 790 3HG2 ILE 102 HG23 ILE 102 127.907 2.642 -6.523 791 1HD1 ILE 102 HD12 ILE 102 128.415 5.777 -8.172 792 2HD1 ILE 102 HD11 ILE 102 126.808 6.468 -8.402 793 3HD1 ILE 102 HD13 ILE 102 128.103 7.453 -7.721 794 H PHE 103 HN PHE 103 124.077 3.315 -5.588 795 HA PHE 103 HA PHE 103 124.652 0.530 -5.920 796 1HB PHE 103 HB2 PHE 103 122.378 2.073 -4.687 797 2HB PHE 103 HB1 PHE 103 122.287 0.317 -4.828 798 HD1 PHE 103 HD2 PHE 103 124.931 -0.663 -4.311 799 HD2 PHE 103 HD1 PHE 103 122.916 2.671 -2.500 800 HE1 PHE 103 HE2 PHE 103 126.350 -0.903 -2.294 801 HE2 PHE 103 HE1 PHE 103 124.337 2.432 -0.483 802 HZ PHE 103 HZ PHE 103 126.053 0.645 -0.380 803 H THR 104 HN THR 104 122.310 2.690 -7.446 804 HA THR 104 HA THR 104 120.860 0.583 -8.815 805 HB THR 104 HB THR 104 121.022 3.460 -9.718 806 HG1 THR 104 HG1 THR 104 119.782 4.040 -8.079 807 1HG2 THR 104 HG23 THR 104 118.880 1.320 -9.764 808 2HG2 THR 104 HG22 THR 104 118.617 2.992 -10.257 809 3HG2 THR 104 HG21 THR 104 119.748 1.977 -11.151 810 H ALA 105 HN ALA 105 123.681 2.557 -9.540 811 HA ALA 105 HA ALA 105 123.825 1.997 -12.351 812 1HB ALA 105 HB2 ALA 105 125.955 2.718 -10.319 813 2HB ALA 105 HB1 ALA 105 126.273 2.579 -12.049 814 3HB ALA 105 HB3 ALA 105 125.149 3.801 -11.455 815 H PHE 106 HN PHE 106 125.226 0.370 -9.508 816 HA PHE 106 HA PHE 106 126.281 -1.780 -11.258 817 1HB PHE 106 HB2 PHE 106 126.583 -1.213 -8.295 818 2HB PHE 106 HB1 PHE 106 127.256 -2.636 -9.087 819 HD1 PHE 106 HD2 PHE 106 128.622 -2.106 -11.320 820 HD2 PHE 106 HD1 PHE 106 127.934 0.681 -8.126 821 HE1 PHE 106 HE2 PHE 106 130.581 -0.776 -12.060 822 HE2 PHE 106 HE1 PHE 106 129.892 2.012 -8.865 823 HZ PHE 106 HZ PHE 106 131.215 1.283 -10.832 824 H LYS 107 HN LYS 107 123.589 -1.815 -11.413 825 HA LYS 107 HA LYS 107 122.510 -3.668 -9.377 826 1HB LYS 107 HB2 LYS 107 121.133 -1.773 -10.275 827 2HB LYS 107 HB1 LYS 107 121.171 -2.550 -11.858 828 1HG LYS 107 HG2 LYS 107 119.138 -3.298 -10.905 829 2HG LYS 107 HG1 LYS 107 120.254 -4.639 -10.640 830 1HD LYS 107 HD2 LYS 107 120.686 -3.860 -8.355 831 2HD LYS 107 HD1 LYS 107 119.626 -2.475 -8.611 832 1HE LYS 107 HE2 LYS 107 118.206 -3.997 -7.533 833 2HE LYS 107 HE1 LYS 107 117.837 -4.275 -9.235 834 1HZ LYS 107 HZ1 LYS 107 119.451 -6.102 -9.217 835 2HZ LYS 107 HZ3 LYS 107 119.707 -5.860 -7.558 836 3HZ LYS 107 HZ2 LYS 107 118.183 -6.362 -8.117 837 H ASP 108 HN ASP 108 123.637 -3.671 -12.704 838 HA ASP 108 HA ASP 108 122.590 -6.307 -13.345 839 1HB ASP 108 HB2 ASP 108 124.759 -4.625 -14.638 840 2HB ASP 108 HB1 ASP 108 124.138 -6.135 -15.309 841 H ASP 109 HN ASP 109 125.550 -5.050 -11.931 842 HA ASP 109 HA ASP 109 126.649 -7.827 -11.833 843 1HB ASP 109 HB2 ASP 109 128.016 -5.128 -11.612 844 2HB ASP 109 HB1 ASP 109 128.832 -6.667 -11.331 845 H VAL 110 HN VAL 110 124.909 -7.929 -10.023 846 HA VAL 110 HA VAL 110 126.245 -7.195 -7.457 847 HB VAL 110 HB VAL 110 124.397 -5.608 -7.868 848 1HG1 VAL 110 HG11 VAL 110 123.131 -7.456 -9.242 849 2HG1 VAL 110 HG13 VAL 110 122.434 -7.873 -7.677 850 3HG1 VAL 110 HG12 VAL 110 122.205 -6.256 -8.340 851 1HG2 VAL 110 HG23 VAL 110 124.898 -6.930 -5.560 852 2HG2 VAL 110 HG22 VAL 110 123.664 -5.678 -5.697 853 3HG2 VAL 110 HG21 VAL 110 123.209 -7.379 -5.796 854 H ASP 111 HN ASP 111 126.447 -8.925 -6.115 855 HA ASP 111 HA ASP 111 124.609 -11.247 -6.494 856 1HB ASP 111 HB2 ASP 111 127.631 -11.323 -6.256 857 2HB ASP 111 HB1 ASP 111 126.597 -12.745 -6.116 858 H THR 112 HN THR 112 127.358 -10.310 -4.391 859 HA THR 112 HA THR 112 126.015 -11.424 -2.045 860 HB THR 112 HB THR 112 128.394 -9.607 -1.849 861 HG1 THR 112 HG1 THR 112 129.686 -11.397 -2.465 862 1HG2 THR 112 HG22 THR 112 127.402 -10.675 0.157 863 2HG2 THR 112 HG21 THR 112 127.678 -12.259 -0.568 864 3HG2 THR 112 HG23 THR 112 129.048 -11.234 -0.138 865 H LEU 113 HN LEU 113 124.294 -10.296 -1.256 866 HA LEU 113 HA LEU 113 124.405 -7.320 -1.270 867 1HB LEU 113 HB2 LEU 113 122.152 -9.313 -1.003 868 2HB LEU 113 HB1 LEU 113 121.936 -7.613 -0.587 869 HG LEU 113 HG LEU 113 123.151 -8.352 -3.235 870 1HD1 LEU 113 HD13 LEU 113 120.195 -8.288 -2.553 871 2HD1 LEU 113 HD12 LEU 113 120.840 -8.288 -4.195 872 3HD1 LEU 113 HD11 LEU 113 121.107 -9.678 -3.142 873 1HD2 LEU 113 HD21 LEU 113 122.942 -5.976 -2.167 874 2HD2 LEU 113 HD23 LEU 113 122.474 -6.185 -3.855 875 3HD2 LEU 113 HD22 LEU 113 121.238 -6.111 -2.600 876 H LEU 114 HN LEU 114 125.711 -6.939 0.556 877 HA LEU 114 HA LEU 114 124.983 -8.189 3.132 878 1HB LEU 114 HB2 LEU 114 127.180 -6.309 2.252 879 2HB LEU 114 HB1 LEU 114 126.900 -6.680 3.954 880 HG LEU 114 HG LEU 114 127.069 -8.975 2.052 881 1HD1 LEU 114 HD12 LEU 114 128.962 -7.494 1.407 882 2HD1 LEU 114 HD11 LEU 114 129.497 -7.477 3.088 883 3HD1 LEU 114 HD13 LEU 114 129.517 -8.984 2.171 884 1HD2 LEU 114 HD23 LEU 114 126.590 -9.263 4.473 885 2HD2 LEU 114 HD22 LEU 114 128.116 -10.024 4.016 886 3HD2 LEU 114 HD21 LEU 114 128.119 -8.473 4.857 887 H VAL 115 HN VAL 115 123.485 -7.256 4.433 888 HA VAL 115 HA VAL 115 123.160 -4.290 4.312 889 HB VAL 115 HB VAL 115 121.344 -5.362 3.022 890 1HG1 VAL 115 HG13 VAL 115 121.497 -7.489 4.527 891 2HG1 VAL 115 HG12 VAL 115 120.357 -6.632 5.565 892 3HG1 VAL 115 HG11 VAL 115 119.922 -7.007 3.898 893 1HG2 VAL 115 HG23 VAL 115 120.522 -4.196 5.698 894 2HG2 VAL 115 HG22 VAL 115 120.789 -3.311 4.195 895 3HG2 VAL 115 HG21 VAL 115 119.422 -4.416 4.337 896 H THR 116 HN THR 116 122.944 -3.314 6.300 897 HA THR 116 HA THR 116 123.128 -5.092 8.682 898 HB THR 116 HB THR 116 123.558 -2.095 8.549 899 HG1 THR 116 HG1 THR 116 125.808 -2.772 8.550 900 1HG2 THR 116 HG21 THR 116 123.126 -3.420 10.756 901 2HG2 THR 116 HG23 THR 116 124.763 -4.030 10.509 902 3HG2 THR 116 HG22 THR 116 124.485 -2.298 10.691 903 H ARG 117 HN ARG 117 120.966 -5.616 9.080 904 HA ARG 117 HA ARG 117 118.846 -3.624 8.999 905 1HB ARG 117 HB2 ARG 117 119.033 -6.484 9.939 906 2HB ARG 117 HB1 ARG 117 117.585 -5.523 10.244 907 1HG ARG 117 HG2 ARG 117 117.758 -4.960 7.683 908 2HG ARG 117 HG1 ARG 117 118.736 -6.426 7.620 909 1HD ARG 117 HD2 ARG 117 116.859 -7.622 8.819 910 2HD ARG 117 HD1 ARG 117 115.880 -6.172 8.596 911 HE ARG 117 HE ARG 117 116.535 -8.122 6.542 912 1HH1 ARG 117 HH21 ARG 117 115.784 -4.761 7.150 913 2HH1 ARG 117 HH22 ARG 117 115.179 -4.503 5.552 914 1HH2 ARG 117 HH11 ARG 117 115.742 -7.743 4.483 915 2HH2 ARG 117 HH12 ARG 117 115.154 -6.171 4.056 916 H LEU 118 HN LEU 118 118.552 -2.112 10.548 917 HA LEU 118 HA LEU 118 119.732 -2.535 13.236 918 1HB LEU 118 HB2 LEU 118 118.862 -0.182 11.632 919 2HB LEU 118 HB1 LEU 118 118.701 -0.054 13.384 920 HG LEU 118 HG LEU 118 121.131 -0.932 13.476 921 1HD1 LEU 118 HD11 LEU 118 120.984 -1.527 10.961 922 2HD1 LEU 118 HD13 LEU 118 121.237 0.196 10.679 923 3HD1 LEU 118 HD12 LEU 118 122.461 -0.747 11.530 924 1HD2 LEU 118 HD22 LEU 118 120.316 1.448 13.882 925 2HD2 LEU 118 HD21 LEU 118 121.989 1.308 13.342 926 3HD2 LEU 118 HD23 LEU 118 120.732 1.788 12.201 927 H ALA 119 HN ALA 119 118.247 -1.499 15.054 928 HA ALA 119 HA ALA 119 115.556 -2.768 14.760 929 1HB ALA 119 HB3 ALA 119 117.156 -2.139 17.260 930 2HB ALA 119 HB2 ALA 119 115.564 -2.897 17.235 931 3HB ALA 119 HB1 ALA 119 116.952 -3.736 16.541 932 H GLY 120 HN GLY 120 117.237 0.095 16.050 933 1HA GLY 120 HA2 GLY 120 114.834 1.489 16.822 934 2HA GLY 120 HA1 GLY 120 116.417 2.231 16.589 935 H SER 121 HN SER 121 113.585 2.946 15.651 936 HA SER 121 HA SER 121 113.872 2.827 12.714 937 1HB SER 121 HB2 SER 121 111.742 4.397 14.136 938 2HB SER 121 HB1 SER 121 111.648 3.533 12.605 939 HG SER 121 HG SER 121 110.609 2.298 14.123 940 H PHE 122 HN PHE 122 113.863 4.806 11.420 941 HA PHE 122 HA PHE 122 114.564 7.318 12.814 942 1HB PHE 122 HB2 PHE 122 116.392 6.044 10.755 943 2HB PHE 122 HB1 PHE 122 116.631 7.614 11.523 944 HD1 PHE 122 HD2 PHE 122 117.139 7.766 13.947 945 HD2 PHE 122 HD1 PHE 122 116.853 3.986 11.929 946 HE1 PHE 122 HE2 PHE 122 118.278 6.663 15.854 947 HE2 PHE 122 HE1 PHE 122 117.994 2.882 13.835 948 HZ PHE 122 HZ PHE 122 118.706 4.221 15.797 949 H GLU 123 HN GLU 123 114.633 9.161 11.247 950 HA GLU 123 HA GLU 123 112.880 8.606 8.884 951 1HB GLU 123 HB2 GLU 123 111.874 10.000 10.735 952 2HB GLU 123 HB1 GLU 123 113.114 11.213 10.413 953 1HG GLU 123 HG2 GLU 123 112.325 11.508 8.143 954 2HG GLU 123 HG1 GLU 123 111.195 10.164 8.314 955 H GLY 124 HN GLY 124 113.330 9.841 6.956 956 1HA GLY 124 HA2 GLY 124 115.369 11.755 6.616 957 2HA GLY 124 HA1 GLY 124 116.127 10.177 6.392 958 H ASP 125 HN ASP 125 116.328 11.407 4.161 959 HA ASP 125 HA ASP 125 113.914 10.787 2.506 960 1HB ASP 125 HB2 ASP 125 116.000 12.914 2.382 961 2HB ASP 125 HB1 ASP 125 115.394 12.294 0.846 962 H THR 126 HN THR 126 117.377 10.286 2.879 963 HA THR 126 HA THR 126 117.765 8.928 0.352 964 HB THR 126 HB THR 126 119.450 8.429 2.800 965 HG1 THR 126 HG1 THR 126 120.201 10.407 2.737 966 1HG2 THR 126 HG21 THR 126 119.979 8.701 -0.171 967 2HG2 THR 126 HG23 THR 126 121.247 8.520 1.043 968 3HG2 THR 126 HG22 THR 126 120.073 7.226 0.794 969 H LYS 127 HN LYS 127 116.470 7.161 -0.007 970 HA LYS 127 HA LYS 127 116.317 5.100 2.154 971 1HB LYS 127 HB2 LYS 127 114.429 5.910 -0.042 972 2HB LYS 127 HB1 LYS 127 114.358 4.276 0.618 973 1HG LYS 127 HG2 LYS 127 114.253 5.359 2.930 974 2HG LYS 127 HG1 LYS 127 113.971 6.887 2.094 975 1HD LYS 127 HD2 LYS 127 111.976 5.992 1.027 976 2HD LYS 127 HD1 LYS 127 112.286 4.397 1.711 977 1HE LYS 127 HE2 LYS 127 112.014 6.790 3.515 978 2HE LYS 127 HE1 LYS 127 110.578 5.962 2.915 979 1HZ LYS 127 HZ1 LYS 127 111.545 3.872 3.775 980 2HZ LYS 127 HZ3 LYS 127 112.798 4.770 4.480 981 3HZ LYS 127 HZ2 LYS 127 111.196 5.004 4.993 982 H MET 128 HN MET 128 116.253 2.811 1.307 983 HA MET 128 HA MET 128 118.411 2.450 -0.661 984 1HB MET 128 HB2 MET 128 118.242 1.114 1.479 985 2HB MET 128 HB1 MET 128 116.817 0.326 0.800 986 1HG MET 128 HG2 MET 128 118.686 -1.101 0.312 987 2HG MET 128 HG1 MET 128 118.252 -0.302 -1.200 988 1HE MET 128 HE3 MET 128 120.579 -1.721 -1.090 989 2HE MET 128 HE2 MET 128 120.847 -0.560 -2.388 990 3HE MET 128 HE1 MET 128 122.101 -0.823 -1.178 991 H ILE 129 HN ILE 129 118.162 1.368 -2.653 992 HA ILE 129 HA ILE 129 115.684 1.750 -4.035 993 HB ILE 129 HB ILE 129 116.750 0.352 -5.822 994 1HG1 ILE 129 HG12 ILE 129 119.170 0.219 -4.026 995 2HG1 ILE 129 HG11 ILE 129 117.960 -1.066 -4.003 996 1HG2 ILE 129 HG21 ILE 129 117.214 2.800 -5.552 997 2HG2 ILE 129 HG23 ILE 129 118.626 2.386 -4.580 998 3HG2 ILE 129 HG22 ILE 129 118.557 1.916 -6.278 999 1HD1 ILE 129 HD11 ILE 129 119.248 -0.093 -6.560 1000 2HD1 ILE 129 HD13 ILE 129 119.915 -1.418 -5.605 1001 3HD1 ILE 129 HD12 ILE 129 118.306 -1.564 -6.315 1002 HA PRO 130 HA PRO 130 113.484 -2.023 -3.191 1003 1HB PRO 130 HB2 PRO 130 112.295 -2.410 -5.698 1004 2HB PRO 130 HB1 PRO 130 111.673 -1.380 -4.401 1005 1HG PRO 130 HG2 PRO 130 112.731 -0.582 -6.939 1006 2HG PRO 130 HG1 PRO 130 112.087 0.442 -5.647 1007 1HD PRO 130 HD2 PRO 130 114.872 -0.067 -6.375 1008 2HD PRO 130 HD1 PRO 130 114.201 1.191 -5.323 1009 H LEU 131 HN LEU 131 114.992 -3.691 -2.945 1010 HA LEU 131 HA LEU 131 116.145 -4.947 -5.373 1011 1HB LEU 131 HB2 LEU 131 116.630 -5.467 -2.423 1012 2HB LEU 131 HB1 LEU 131 117.484 -6.266 -3.743 1013 HG LEU 131 HG LEU 131 117.411 -3.277 -3.727 1014 1HD1 LEU 131 HD11 LEU 131 118.967 -5.023 -1.821 1015 2HD1 LEU 131 HD13 LEU 131 119.598 -3.460 -2.342 1016 3HD1 LEU 131 HD12 LEU 131 118.064 -3.548 -1.475 1017 1HD2 LEU 131 HD22 LEU 131 119.442 -5.399 -4.489 1018 2HD2 LEU 131 HD21 LEU 131 118.456 -4.442 -5.595 1019 3HD2 LEU 131 HD23 LEU 131 119.716 -3.663 -4.637 1020 H ASN 132 HN ASN 132 115.784 -7.162 -5.868 1021 HA ASN 132 HA ASN 132 113.176 -8.184 -4.951 1022 1HB ASN 132 HB2 ASN 132 114.108 -8.216 -7.385 1023 2HB ASN 132 HB1 ASN 132 115.032 -9.619 -6.844 1024 1HD2 ASN 132 HD22 ASN 132 110.923 -9.922 -6.934 1025 2HD2 ASN 132 HD21 ASN 132 111.631 -8.396 -6.709 1026 H TRP 133 HN TRP 133 113.263 -9.193 -2.989 1027 HA TRP 133 HA TRP 133 115.627 -10.798 -2.245 1028 1HB TRP 133 HB2 TRP 133 113.069 -10.264 -0.707 1029 2HB TRP 133 HB1 TRP 133 114.540 -10.990 -0.059 1030 HD1 TRP 133 HD1 TRP 133 113.009 -7.677 -1.037 1031 HE1 TRP 133 HE1 TRP 133 114.600 -5.766 -0.354 1032 HE3 TRP 133 HE3 TRP 133 117.128 -10.389 0.286 1033 HZ2 TRP 133 HZ2 TRP 133 117.268 -5.433 0.622 1034 HZ3 TRP 133 HZ3 TRP 133 119.178 -9.251 1.087 1035 HH2 TRP 133 HH2 TRP 133 119.254 -6.779 1.257 1036 H ASP 134 HN ASP 134 113.143 -11.495 -4.221 1037 HA ASP 134 HA ASP 134 112.330 -14.062 -3.029 1038 1HB ASP 134 HB2 ASP 134 110.786 -12.571 -4.401 1039 2HB ASP 134 HB1 ASP 134 111.729 -13.040 -5.815 1040 H ASP 135 HN ASP 135 114.523 -12.841 -5.490 1041 HA ASP 135 HA ASP 135 115.221 -15.620 -6.294 1042 1HB ASP 135 HB2 ASP 135 116.006 -12.924 -7.443 1043 2HB ASP 135 HB1 ASP 135 116.581 -14.474 -8.062 1044 H PHE 136 HN PHE 136 115.939 -14.648 -3.657 1045 HA PHE 136 HA PHE 136 118.886 -14.966 -3.874 1046 1HB PHE 136 HB2 PHE 136 117.426 -12.707 -2.508 1047 2HB PHE 136 HB1 PHE 136 119.029 -13.208 -1.971 1048 HD1 PHE 136 HD1 PHE 136 117.088 -11.910 -4.857 1049 HD2 PHE 136 HD2 PHE 136 120.992 -12.713 -3.255 1050 HE1 PHE 136 HE1 PHE 136 118.114 -10.620 -6.710 1051 HE2 PHE 136 HE2 PHE 136 122.018 -11.422 -5.106 1052 HZ PHE 136 HZ PHE 136 120.579 -10.375 -6.835 1053 H THR 137 HN THR 137 119.817 -15.471 -1.644 1054 HA THR 137 HA THR 137 117.832 -16.669 0.213 1055 HB THR 137 HB THR 137 120.257 -18.228 -0.697 1056 HG1 THR 137 HG1 THR 137 117.581 -18.482 -1.597 1057 1HG2 THR 137 HG23 THR 137 117.718 -18.889 0.813 1058 2HG2 THR 137 HG22 THR 137 118.835 -20.114 0.212 1059 3HG2 THR 137 HG21 THR 137 119.373 -18.948 1.422 1060 H LYS 138 HN LYS 138 118.669 -16.941 2.360 1061 HA LYS 138 HA LYS 138 121.081 -15.271 2.888 1062 1HB LYS 138 HB2 LYS 138 118.811 -14.761 3.977 1063 2HB LYS 138 HB1 LYS 138 119.066 -16.223 4.931 1064 1HG LYS 138 HG2 LYS 138 120.983 -15.340 5.992 1065 2HG LYS 138 HG1 LYS 138 121.180 -14.077 4.777 1066 1HD LYS 138 HD2 LYS 138 120.258 -12.987 6.691 1067 2HD LYS 138 HD1 LYS 138 118.919 -13.170 5.556 1068 1HE LYS 138 HE2 LYS 138 118.463 -15.409 6.789 1069 2HE LYS 138 HE1 LYS 138 119.488 -14.746 8.061 1070 1HZ LYS 138 HZ2 LYS 138 118.043 -12.775 8.095 1071 2HZ LYS 138 HZ1 LYS 138 117.019 -13.519 6.961 1072 3HZ LYS 138 HZ3 LYS 138 117.210 -14.198 8.502 1073 H VAL 139 HN VAL 139 122.861 -16.156 3.898 1074 HA VAL 139 HA VAL 139 122.651 -18.999 4.801 1075 HB VAL 139 HB VAL 139 124.968 -19.328 3.894 1076 1HG1 VAL 139 HG11 VAL 139 122.747 -19.827 2.654 1077 2HG1 VAL 139 HG13 VAL 139 123.129 -18.401 1.690 1078 3HG1 VAL 139 HG12 VAL 139 124.228 -19.781 1.697 1079 1HG2 VAL 139 HG22 VAL 139 124.415 -16.582 2.728 1080 2HG2 VAL 139 HG21 VAL 139 125.732 -17.029 3.813 1081 3HG2 VAL 139 HG23 VAL 139 125.701 -17.647 2.162 1082 H SER 140 HN SER 140 124.506 -15.960 5.001 1083 HA SER 140 HA SER 140 125.436 -16.821 7.711 1084 1HB SER 140 HB2 SER 140 126.668 -15.112 5.574 1085 2HB SER 140 HB1 SER 140 127.085 -14.810 7.258 1086 HG SER 140 HG SER 140 127.984 -16.769 7.399 1087 H SER 141 HN SER 141 124.902 -15.541 9.453 1088 HA SER 141 HA SER 141 123.912 -12.801 9.069 1089 1HB SER 141 HB2 SER 141 121.948 -14.421 8.682 1090 2HB SER 141 HB1 SER 141 122.073 -14.798 10.397 1091 HG SER 141 HG SER 141 120.786 -13.106 10.496 1092 H ARG 142 HN ARG 142 125.232 -11.893 10.588 1093 HA ARG 142 HA ARG 142 125.555 -13.258 13.213 1094 1HB ARG 142 HB2 ARG 142 127.535 -12.365 11.792 1095 2HB ARG 142 HB1 ARG 142 127.019 -10.770 12.341 1096 1HG ARG 142 HG2 ARG 142 127.192 -11.536 14.692 1097 2HG ARG 142 HG1 ARG 142 127.758 -13.108 14.126 1098 1HD ARG 142 HD2 ARG 142 129.645 -11.916 12.951 1099 2HD ARG 142 HD1 ARG 142 129.130 -10.433 13.757 1100 HE ARG 142 HE ARG 142 129.457 -12.428 15.748 1101 1HH1 ARG 142 HH21 ARG 142 131.382 -10.604 13.468 1102 2HH1 ARG 142 HH22 ARG 142 132.798 -10.671 14.459 1103 1HH2 ARG 142 HH11 ARG 142 131.312 -12.489 16.998 1104 2HH2 ARG 142 HH12 ARG 142 132.762 -11.725 16.435 1105 H THR 143 HN THR 143 124.344 -12.550 14.892 1106 HA THR 143 HA THR 143 122.921 -9.960 14.647 1107 HB THR 143 HB THR 143 122.618 -11.947 16.899 1108 HG1 THR 143 HG1 THR 143 121.850 -13.290 15.507 1109 1HG2 THR 143 HG23 THR 143 121.035 -9.695 15.707 1110 2HG2 THR 143 HG22 THR 143 120.189 -11.003 16.533 1111 3HG2 THR 143 HG21 THR 143 121.382 -10.038 17.401 1112 H VAL 144 HN VAL 144 123.318 -8.236 16.017 1113 HA VAL 144 HA VAL 144 125.220 -8.622 18.270 1114 HB VAL 144 HB VAL 144 125.536 -6.441 16.185 1115 1HG1 VAL 144 HG13 VAL 144 127.041 -7.240 18.681 1116 2HG1 VAL 144 HG12 VAL 144 127.800 -6.282 17.410 1117 3HG1 VAL 144 HG11 VAL 144 126.386 -5.658 18.259 1118 1HG2 VAL 144 HG23 VAL 144 126.930 -9.095 16.584 1119 2HG2 VAL 144 HG22 VAL 144 126.209 -8.452 15.107 1120 3HG2 VAL 144 HG21 VAL 144 127.705 -7.760 15.733 1121 H GLU 145 HN GLU 145 124.483 -7.563 20.044 1122 HA GLU 145 HA GLU 145 122.394 -5.462 19.645 1123 1HB GLU 145 HB2 GLU 145 122.931 -7.189 22.081 1124 2HB GLU 145 HB1 GLU 145 121.612 -6.034 21.900 1125 1HG GLU 145 HG2 GLU 145 120.745 -7.329 19.979 1126 2HG GLU 145 HG1 GLU 145 122.052 -8.495 20.183 1127 H ASP 146 HN ASP 146 122.841 -3.424 20.358 1128 HA ASP 146 HA ASP 146 125.485 -2.927 21.575 1129 1HB ASP 146 HB2 ASP 146 124.115 -1.567 19.675 1130 2HB ASP 146 HB1 ASP 146 123.598 -0.679 21.108 1131 H THR 147 HN THR 147 125.109 -0.751 23.152 1132 HA THR 147 HA THR 147 124.131 -1.849 25.604 1133 HB THR 147 HB THR 147 124.361 0.500 26.459 1134 HG1 THR 147 HG1 THR 147 123.750 1.589 24.588 1135 1HG2 THR 147 HG21 THR 147 126.594 -0.628 24.753 1136 2HG2 THR 147 HG23 THR 147 126.813 0.689 25.906 1137 3HG2 THR 147 HG22 THR 147 126.321 -0.907 26.473 1138 H ASN 148 HN ASN 148 122.647 0.241 23.170 1139 HA ASN 148 HA ASN 148 120.127 0.272 24.767 1140 1HB ASN 148 HB2 ASN 148 120.978 1.924 22.367 1141 2HB ASN 148 HB1 ASN 148 119.422 2.065 23.187 1142 1HD2 ASN 148 HD22 ASN 148 120.889 4.492 25.287 1143 2HD2 ASN 148 HD21 ASN 148 119.656 4.118 24.182 1144 HA PRO 149 HA PRO 149 118.131 -2.423 21.841 1145 1HB PRO 149 HB2 PRO 149 115.543 -1.374 22.017 1146 2HB PRO 149 HB1 PRO 149 116.251 -2.572 23.108 1147 1HG PRO 149 HG2 PRO 149 115.541 0.142 23.682 1148 2HG PRO 149 HG1 PRO 149 116.219 -1.071 24.777 1149 1HD PRO 149 HD2 PRO 149 117.556 1.172 23.465 1150 2HD PRO 149 HD1 PRO 149 118.124 0.155 24.800 1151 H ALA 150 HN ALA 150 117.709 1.045 21.441 1152 HA ALA 150 HA ALA 150 116.586 0.845 18.754 1153 1HB ALA 150 HB2 ALA 150 116.290 2.786 20.424 1154 2HB ALA 150 HB1 ALA 150 117.911 3.285 19.941 1155 3HB ALA 150 HB3 ALA 150 116.616 3.217 18.745 1156 H LEU 151 HN LEU 151 119.788 0.919 20.139 1157 HA LEU 151 HA LEU 151 121.010 1.532 17.502 1158 1HB LEU 151 HB2 LEU 151 122.082 1.312 20.315 1159 2HB LEU 151 HB1 LEU 151 123.164 1.331 18.923 1160 HG LEU 151 HG LEU 151 121.035 3.439 19.285 1161 1HD1 LEU 151 HD13 LEU 151 122.536 3.348 21.301 1162 2HD1 LEU 151 HD12 LEU 151 123.912 3.606 20.229 1163 3HD1 LEU 151 HD11 LEU 151 122.672 4.850 20.388 1164 1HD2 LEU 151 HD23 LEU 151 123.681 3.331 17.799 1165 2HD2 LEU 151 HD22 LEU 151 122.079 3.225 17.067 1166 3HD2 LEU 151 HD21 LEU 151 122.597 4.722 17.842 1167 H THR 152 HN THR 152 119.571 -1.010 17.988 1168 HA THR 152 HA THR 152 121.689 -3.049 18.176 1169 HB THR 152 HB THR 152 118.768 -3.429 17.464 1170 HG1 THR 152 HG1 THR 152 118.328 -3.268 19.513 1171 1HG2 THR 152 HG21 THR 152 121.062 -5.201 18.185 1172 2HG2 THR 152 HG23 THR 152 119.453 -5.657 18.742 1173 3HG2 THR 152 HG22 THR 152 119.767 -5.463 17.019 1174 H HIS 153 HN HIS 153 122.288 -4.417 16.417 1175 HA HIS 153 HA HIS 153 121.229 -3.750 13.731 1176 1HB HIS 153 HB2 HIS 153 123.563 -3.511 12.842 1177 2HB HIS 153 HB1 HIS 153 123.102 -2.215 13.945 1178 HD1 HIS 153 HD1 HIS 153 123.809 -2.796 16.591 1179 HD2 HIS 153 HD2 HIS 153 125.968 -4.658 13.549 1180 HE1 HIS 153 HE1 HIS 153 125.976 -3.593 17.634 1181 H THR 154 HN THR 154 121.791 -5.382 12.131 1182 HA THR 154 HA THR 154 122.994 -7.881 13.206 1183 HB THR 154 HB THR 154 120.358 -7.831 11.710 1184 HG1 THR 154 HG1 THR 154 119.496 -8.393 13.754 1185 1HG2 THR 154 HG22 THR 154 122.115 -9.842 11.772 1186 2HG2 THR 154 HG21 THR 154 121.343 -10.132 13.332 1187 3HG2 THR 154 HG23 THR 154 120.377 -10.129 11.856 1188 H TYR 155 HN TYR 155 124.610 -8.329 11.803 1189 HA TYR 155 HA TYR 155 124.649 -7.276 9.092 1190 1HB TYR 155 HB2 TYR 155 126.441 -9.345 10.403 1191 2HB TYR 155 HB1 TYR 155 126.778 -8.492 8.897 1192 HD1 TYR 155 HD1 TYR 155 126.592 -5.838 9.064 1193 HD2 TYR 155 HD2 TYR 155 127.316 -8.471 12.381 1194 HE1 TYR 155 HE1 TYR 155 127.572 -3.954 10.346 1195 HE2 TYR 155 HE2 TYR 155 128.296 -6.588 13.663 1196 HH TYR 155 HH TYR 155 127.823 -3.613 13.206 1197 H GLU 156 HN GLU 156 123.249 -8.160 7.635 1198 HA GLU 156 HA GLU 156 122.829 -11.112 7.672 1199 1HB GLU 156 HB2 GLU 156 121.269 -8.910 6.283 1200 2HB GLU 156 HB1 GLU 156 120.870 -10.627 6.229 1201 1HG GLU 156 HG2 GLU 156 120.860 -10.511 8.811 1202 2HG GLU 156 HG1 GLU 156 120.789 -8.762 8.599 1203 H VAL 157 HN VAL 157 123.645 -12.340 6.035 1204 HA VAL 157 HA VAL 157 124.925 -10.903 3.748 1205 HB VAL 157 HB VAL 157 125.498 -13.701 4.769 1206 1HG1 VAL 157 HG13 VAL 157 126.927 -11.872 2.816 1207 2HG1 VAL 157 HG12 VAL 157 127.559 -13.415 3.391 1208 3HG1 VAL 157 HG11 VAL 157 126.087 -13.372 2.421 1209 1HG2 VAL 157 HG22 VAL 157 126.501 -11.013 5.565 1210 2HG2 VAL 157 HG21 VAL 157 126.400 -12.501 6.508 1211 3HG2 VAL 157 HG23 VAL 157 127.719 -12.273 5.360 1212 H TRP 158 HN TRP 158 123.557 -10.945 2.025 1213 HA TRP 158 HA TRP 158 121.937 -13.405 1.551 1214 1HB TRP 158 HB2 TRP 158 121.674 -10.589 0.457 1215 2HB TRP 158 HB1 TRP 158 120.648 -11.941 -0.024 1216 HD1 TRP 158 HD1 TRP 158 121.601 -9.919 3.114 1217 HE1 TRP 158 HE1 TRP 158 119.633 -10.029 4.776 1218 HE3 TRP 158 HE3 TRP 158 118.527 -13.150 0.628 1219 HZ2 TRP 158 HZ2 TRP 158 117.090 -11.318 5.019 1220 HZ3 TRP 158 HZ3 TRP 158 116.340 -13.801 1.595 1221 HH2 TRP 158 HH2 TRP 158 115.619 -12.890 3.786 1222 H GLN 159 HN GLN 159 122.421 -14.693 -0.172 1223 HA GLN 159 HA GLN 159 124.420 -13.660 -2.146 1224 1HB GLN 159 HB2 GLN 159 124.120 -16.291 -0.764 1225 2HB GLN 159 HB1 GLN 159 124.708 -16.303 -2.427 1226 1HG GLN 159 HG2 GLN 159 126.716 -16.044 -1.310 1227 2HG GLN 159 HG1 GLN 159 126.269 -14.349 -1.515 1228 1HE2 GLN 159 HE22 GLN 159 127.047 -15.236 2.136 1229 2HE2 GLN 159 HE21 GLN 159 127.867 -15.645 0.707 1230 H LYS 160 HN LYS 160 124.180 -14.556 -4.350 1231 HA LYS 160 HA LYS 160 121.389 -14.553 -5.189 1232 1HB LYS 160 HB2 LYS 160 123.365 -13.583 -6.493 1233 2HB LYS 160 HB1 LYS 160 123.786 -15.246 -6.898 1234 1HG LYS 160 HG2 LYS 160 121.517 -15.566 -7.858 1235 2HG LYS 160 HG1 LYS 160 121.151 -13.877 -7.508 1236 1HD LYS 160 HD2 LYS 160 123.294 -13.352 -8.875 1237 2HD LYS 160 HD1 LYS 160 123.128 -14.999 -9.486 1238 1HE LYS 160 HE2 LYS 160 120.900 -14.521 -10.324 1239 2HE LYS 160 HE1 LYS 160 120.926 -12.919 -9.587 1240 1HZ LYS 160 HZ2 LYS 160 122.824 -13.851 -11.671 1241 2HZ LYS 160 HZ1 LYS 160 121.457 -12.888 -11.971 1242 3HZ LYS 160 HZ3 LYS 160 122.724 -12.285 -11.020 1243 H LYS 161 HN LYS 161 120.361 -16.315 -6.360 1244 HA LYS 161 HA LYS 161 120.848 -18.908 -5.153 1245 1HB LYS 161 HB2 LYS 161 119.056 -18.132 -7.478 1246 2HB LYS 161 HB1 LYS 161 119.004 -19.669 -6.613 1247 1HG LYS 161 HG2 LYS 161 118.704 -18.194 -4.485 1248 2HG LYS 161 HG1 LYS 161 118.250 -16.927 -5.625 1249 1HD LYS 161 HD2 LYS 161 116.170 -17.860 -5.299 1250 2HD LYS 161 HD1 LYS 161 116.729 -18.903 -6.608 1251 1HE LYS 161 HE2 LYS 161 117.573 -19.791 -3.925 1252 2HE LYS 161 HE1 LYS 161 115.827 -19.806 -4.174 1253 1HZ LYS 161 HZ1 LYS 161 116.241 -21.033 -6.268 1254 2HZ LYS 161 HZ3 LYS 161 117.881 -21.138 -5.850 1255 3HZ LYS 161 HZ2 LYS 161 116.708 -21.889 -4.877 1256 H ALA 162 HN ALA 162 122.803 -19.803 -5.764 1257 HA ALA 162 HA ALA 162 123.039 -20.641 -8.590 1258 1HB ALA 162 HB2 ALA 162 124.276 -18.467 -8.389 1259 2HB ALA 162 HB1 ALA 162 125.302 -19.212 -7.163 1260 3HB ALA 162 HB3 ALA 162 125.320 -19.824 -8.816 1261 1HN2 MTX 170 1HN2 MTX 170 126.629 -1.148 7.724 1262 2HN2 MTX 170 2HN2 MTX 170 126.868 -1.685 6.132 1263 1HN4 MTX 170 1HN4 MTX 170 128.762 1.143 2.859 1264 2HN4 MTX 170 2HN4 MTX 170 129.217 2.728 3.263 1265 H7 MTX 170 H7 MTX 170 128.770 5.433 8.483 1266 1H9 MTX 170 H91 MTX 170 128.933 6.892 5.671 1267 2H9 MTX 170 H92 MTX 170 130.478 6.120 5.288 1268 1HM MTX 170 HM1 MTX 170 128.541 7.906 7.566 1269 2HM MTX 170 HM2 MTX 170 130.014 8.896 7.792 1270 3HM MTX 170 HM3 MTX 170 129.594 7.633 8.987 1271 H12 MTX 170 H13 MTX 170 134.455 8.187 8.881 1272 H13 MTX 170 H12 MTX 170 132.081 8.669 8.278 1273 H15 MTX 170 H16 MTX 170 131.635 4.598 6.844 1274 H16 MTX 170 H15 MTX 170 134.010 4.130 7.452 1275 HN MTX 170 HN MTX 170 135.209 4.158 9.565 1276 HA MTX 170 HA MTX 170 137.897 5.310 9.766 1277 1HB MTX 170 HB1 MTX 170 137.366 2.583 10.896 1278 2HB MTX 170 HB2 MTX 170 136.391 3.877 11.572 1279 1HG MTX 170 HG1 MTX 170 138.285 5.031 12.418 1280 2HG MTX 170 HG2 MTX 170 139.376 4.331 11.225 1281 HN1 MTX 170 H1N MTX 170 127.225 1.001 8.350 No H/Q in entry = 1281 Start of MODEL 3 1 1H THR 1 HT1 THR 1 132.416 -8.346 -7.078 2 2H THR 1 HT3 THR 1 132.873 -7.016 -8.024 3 3H THR 1 HT2 THR 1 133.032 -6.949 -6.334 4 HA THR 1 HA THR 1 131.113 -5.677 -7.029 5 HB THR 1 HB THR 1 129.192 -7.013 -8.018 6 HG1 THR 1 HG1 THR 1 129.711 -8.980 -8.925 7 1HG2 THR 1 HG23 THR 1 130.612 -5.512 -9.379 8 2HG2 THR 1 HG22 THR 1 131.733 -6.844 -9.664 9 3HG2 THR 1 HG21 THR 1 130.091 -6.920 -10.303 10 H ALA 2 HN ALA 2 130.590 -5.407 -4.897 11 HA ALA 2 HA ALA 2 128.994 -7.525 -3.591 12 1HB ALA 2 HB2 ALA 2 131.572 -6.420 -2.443 13 2HB ALA 2 HB1 ALA 2 130.387 -7.323 -1.500 14 3HB ALA 2 HB3 ALA 2 131.222 -8.102 -2.844 15 H PHE 3 HN PHE 3 127.203 -6.429 -2.982 16 HA PHE 3 HA PHE 3 127.219 -3.549 -2.519 17 1HB PHE 3 HB2 PHE 3 125.176 -5.736 -2.500 18 2HB PHE 3 HB1 PHE 3 124.797 -4.246 -1.640 19 HD1 PHE 3 HD2 PHE 3 126.671 -4.917 -4.831 20 HD2 PHE 3 HD1 PHE 3 123.351 -2.960 -2.932 21 HE1 PHE 3 HE2 PHE 3 126.089 -3.820 -6.977 22 HE2 PHE 3 HE1 PHE 3 122.768 -1.865 -5.079 23 HZ PHE 3 HZ PHE 3 124.137 -2.294 -7.102 24 H LEU 4 HN LEU 4 127.077 -2.492 -0.518 25 HA LEU 4 HA LEU 4 126.795 -4.057 1.961 26 1HB LEU 4 HB2 LEU 4 129.213 -4.265 1.409 27 2HB LEU 4 HB1 LEU 4 129.341 -2.507 1.380 28 HG LEU 4 HG LEU 4 128.216 -2.807 3.813 29 1HD1 LEU 4 HD12 LEU 4 129.365 -5.438 3.059 30 2HD1 LEU 4 HD11 LEU 4 129.800 -4.842 4.661 31 3HD1 LEU 4 HD13 LEU 4 128.103 -5.054 4.230 32 1HD2 LEU 4 HD23 LEU 4 130.381 -1.675 3.156 33 2HD2 LEU 4 HD22 LEU 4 130.425 -2.474 4.727 34 3HD2 LEU 4 HD21 LEU 4 131.177 -3.239 3.327 35 H TRP 5 HN TRP 5 125.159 -2.789 2.777 36 HA TRP 5 HA TRP 5 125.834 0.039 3.344 37 1HB TRP 5 HB2 TRP 5 123.748 0.901 2.481 38 2HB TRP 5 HB1 TRP 5 124.521 -0.019 1.197 39 HD1 TRP 5 HD1 TRP 5 121.329 0.332 2.967 40 HE1 TRP 5 HE1 TRP 5 119.745 -1.625 2.419 41 HE3 TRP 5 HE3 TRP 5 124.627 -2.878 0.750 42 HZ2 TRP 5 HZ2 TRP 5 119.859 -4.209 1.201 43 HZ3 TRP 5 HZ3 TRP 5 123.861 -5.079 -0.093 44 HH2 TRP 5 HH2 TRP 5 121.484 -5.747 0.130 45 H ALA 6 HN ALA 6 124.187 0.985 4.928 46 HA ALA 6 HA ALA 6 123.186 -1.172 6.747 47 1HB ALA 6 HB2 ALA 6 124.529 1.465 7.364 48 2HB ALA 6 HB1 ALA 6 123.575 0.600 8.570 49 3HB ALA 6 HB3 ALA 6 125.013 -0.151 7.878 50 H GLN 7 HN GLN 7 121.063 -0.994 7.379 51 HA GLN 7 HA GLN 7 119.657 1.590 7.041 52 1HB GLN 7 HB2 GLN 7 117.815 0.484 5.773 53 2HB GLN 7 HB1 GLN 7 119.335 0.497 4.879 54 1HG GLN 7 HG2 GLN 7 118.786 -1.724 4.602 55 2HG GLN 7 HG1 GLN 7 119.647 -1.847 6.137 56 1HE2 GLN 7 HE22 GLN 7 115.546 -2.154 6.131 57 2HE2 GLN 7 HE21 GLN 7 116.324 -1.398 4.826 58 H ASP 8 HN ASP 8 117.292 1.284 7.861 59 HA ASP 8 HA ASP 8 117.367 -0.536 10.234 60 1HB ASP 8 HB2 ASP 8 115.827 1.119 11.307 61 2HB ASP 8 HB1 ASP 8 117.406 1.803 10.918 62 H ARG 9 HN ARG 9 114.788 -0.561 11.009 63 HA ARG 9 HA ARG 9 113.516 -2.317 9.154 64 1HB ARG 9 HB2 ARG 9 111.496 -2.003 10.628 65 2HB ARG 9 HB1 ARG 9 112.961 -2.442 11.506 66 1HG ARG 9 HG2 ARG 9 113.284 -0.237 12.303 67 2HG ARG 9 HG1 ARG 9 112.174 0.444 11.114 68 1HD ARG 9 HD2 ARG 9 110.987 0.414 13.196 69 2HD ARG 9 HD1 ARG 9 110.331 -0.908 12.232 70 HE ARG 9 HE ARG 9 112.529 -1.766 13.931 71 1HH1 ARG 9 HH11 ARG 9 109.097 -1.097 13.826 72 2HH1 ARG 9 HH12 ARG 9 108.748 -2.155 15.148 73 1HH2 ARG 9 HH21 ARG 9 112.032 -3.126 15.637 74 2HH2 ARG 9 HH22 ARG 9 110.390 -3.292 16.163 75 H ASP 10 HN ASP 10 113.374 1.167 9.545 76 HA ASP 10 HA ASP 10 110.961 1.592 8.024 77 1HB ASP 10 HB2 ASP 10 113.302 3.489 8.359 78 2HB ASP 10 HB1 ASP 10 111.645 3.920 7.940 79 H GLY 11 HN GLY 11 114.416 1.556 7.161 80 1HA GLY 11 HA2 GLY 11 115.011 0.551 4.961 81 2HA GLY 11 HA1 GLY 11 113.582 1.340 4.296 82 H LEU 12 HN LEU 12 115.793 2.880 6.568 83 HA LEU 12 HA LEU 12 116.347 4.956 4.517 84 1HB LEU 12 HB2 LEU 12 115.622 5.277 7.082 85 2HB LEU 12 HB1 LEU 12 117.370 5.203 7.308 86 HG LEU 12 HG LEU 12 117.525 6.929 5.414 87 1HD1 LEU 12 HD12 LEU 12 114.576 7.119 6.097 88 2HD1 LEU 12 HD11 LEU 12 115.462 8.328 5.168 89 3HD1 LEU 12 HD13 LEU 12 115.268 6.695 4.531 90 1HD2 LEU 12 HD23 LEU 12 117.491 7.227 8.079 91 2HD2 LEU 12 HD22 LEU 12 117.582 8.612 6.990 92 3HD2 LEU 12 HD21 LEU 12 116.034 8.146 7.695 93 H ILE 13 HN ILE 13 118.589 5.712 4.244 94 HA ILE 13 HA ILE 13 120.706 3.841 5.142 95 HB ILE 13 HB ILE 13 121.596 3.695 2.804 96 1HG1 ILE 13 HG12 ILE 13 118.873 4.772 2.017 97 2HG1 ILE 13 HG11 ILE 13 120.339 5.754 2.027 98 1HG2 ILE 13 HG22 ILE 13 118.774 2.660 3.218 99 2HG2 ILE 13 HG21 ILE 13 119.920 2.046 2.027 100 3HG2 ILE 13 HG23 ILE 13 120.255 1.861 3.748 101 1HD1 ILE 13 HD12 ILE 13 120.109 3.154 0.497 102 2HD1 ILE 13 HD11 ILE 13 119.754 4.726 -0.219 103 3HD1 ILE 13 HD13 ILE 13 121.380 4.370 0.364 104 H GLY 14 HN GLY 14 119.951 6.690 5.650 105 1HA GLY 14 HA2 GLY 14 122.264 7.989 6.075 106 2HA GLY 14 HA1 GLY 14 122.115 8.210 4.331 107 H LYS 15 HN LYS 15 122.121 10.510 5.642 108 HA LYS 15 HA LYS 15 119.449 11.577 5.190 109 1HB LYS 15 HB2 LYS 15 119.420 10.584 7.565 110 2HB LYS 15 HB1 LYS 15 120.533 11.883 7.994 111 1HG LYS 15 HG2 LYS 15 118.907 13.554 7.205 112 2HG LYS 15 HG1 LYS 15 117.793 12.265 6.749 113 1HD LYS 15 HD2 LYS 15 117.096 13.062 8.910 114 2HD LYS 15 HD1 LYS 15 117.857 11.490 9.160 115 1HE LYS 15 HE2 LYS 15 119.928 12.542 9.861 116 2HE LYS 15 HE1 LYS 15 119.299 14.139 9.458 117 1HZ LYS 15 HZ3 LYS 15 117.489 13.669 11.107 118 2HZ LYS 15 HZ2 LYS 15 118.389 12.318 11.609 119 3HZ LYS 15 HZ1 LYS 15 119.036 13.881 11.769 120 H ASP 16 HN ASP 16 119.994 13.386 4.082 121 HA ASP 16 HA ASP 16 121.067 15.388 3.502 122 1HB ASP 16 HB2 ASP 16 121.211 15.262 6.464 123 2HB ASP 16 HB1 ASP 16 122.347 16.368 5.693 124 H GLY 17 HN GLY 17 122.509 12.779 3.366 125 1HA GLY 17 HA2 GLY 17 124.667 12.421 2.348 126 2HA GLY 17 HA1 GLY 17 125.240 13.911 3.101 127 H HIS 18 HN HIS 18 124.461 13.473 5.750 128 HA HIS 18 HA HIS 18 126.400 11.367 6.523 129 1HB HIS 18 HB2 HIS 18 126.163 12.384 8.806 130 2HB HIS 18 HB1 HIS 18 126.713 13.531 7.586 131 HD1 HIS 18 HD1 HIS 18 123.696 12.623 9.652 132 HD2 HIS 18 HD2 HIS 18 124.875 15.601 6.983 133 HE1 HIS 18 HE1 HIS 18 121.939 14.442 9.786 134 H LEU 19 HN LEU 19 125.789 9.925 8.375 135 HA LEU 19 HA LEU 19 123.213 8.682 7.867 136 1HB LEU 19 HB2 LEU 19 125.377 8.171 9.922 137 2HB LEU 19 HB1 LEU 19 123.904 7.206 9.818 138 HG LEU 19 HG LEU 19 125.545 7.644 7.343 139 1HD1 LEU 19 HD12 LEU 19 126.212 5.891 9.692 140 2HD1 LEU 19 HD11 LEU 19 126.596 5.344 8.060 141 3HD1 LEU 19 HD13 LEU 19 127.292 6.844 8.673 142 1HD2 LEU 19 HD23 LEU 19 123.816 5.384 8.402 143 2HD2 LEU 19 HD22 LEU 19 123.352 6.557 7.168 144 3HD2 LEU 19 HD21 LEU 19 124.629 5.386 6.836 145 HA PRO 20 HA PRO 20 120.843 10.796 10.997 146 1HB PRO 20 HB2 PRO 20 118.912 8.811 11.373 147 2HB PRO 20 HB1 PRO 20 118.880 10.060 10.120 148 1HG PRO 20 HG2 PRO 20 119.255 7.233 9.805 149 2HG PRO 20 HG1 PRO 20 119.154 8.478 8.552 150 1HD PRO 20 HD2 PRO 20 121.514 7.117 9.597 151 2HD PRO 20 HD1 PRO 20 121.355 8.141 8.161 152 H TRP 21 HN TRP 21 121.571 7.362 11.598 153 HA TRP 21 HA TRP 21 121.470 7.877 14.529 154 1HB TRP 21 HB2 TRP 21 121.619 5.378 14.704 155 2HB TRP 21 HB1 TRP 21 120.201 5.930 13.812 156 HD1 TRP 21 HD1 TRP 21 123.741 4.542 13.185 157 HE1 TRP 21 HE1 TRP 21 123.754 3.355 10.897 158 HE3 TRP 21 HE3 TRP 21 119.015 5.645 11.594 159 HZ2 TRP 21 HZ2 TRP 21 121.992 2.930 8.683 160 HZ3 TRP 21 HZ3 TRP 21 118.210 4.837 9.393 161 HH2 TRP 21 HH2 TRP 21 119.690 3.482 7.938 162 H HIS 22 HN HIS 22 123.244 6.224 15.600 163 HA HIS 22 HA HIS 22 125.851 6.640 14.217 164 1HB HIS 22 HB2 HIS 22 125.230 8.417 16.053 165 2HB HIS 22 HB1 HIS 22 125.628 7.117 17.178 166 HD1 HIS 22 HD1 HIS 22 127.290 8.259 13.930 167 HD2 HIS 22 HD2 HIS 22 128.253 7.513 17.917 168 HE1 HIS 22 HE1 HIS 22 129.788 8.621 14.143 169 H LEU 23 HN LEU 23 126.184 4.450 13.850 170 HA LEU 23 HA LEU 23 126.150 2.674 16.257 171 1HB LEU 23 HB2 LEU 23 124.677 2.280 14.050 172 2HB LEU 23 HB1 LEU 23 126.172 1.514 13.510 173 HG LEU 23 HG LEU 23 126.153 0.253 15.741 174 1HD1 LEU 23 HD11 LEU 23 124.280 1.941 16.538 175 2HD1 LEU 23 HD13 LEU 23 123.202 0.787 15.752 176 3HD1 LEU 23 HD12 LEU 23 124.245 0.261 17.073 177 1HD2 LEU 23 HD22 LEU 23 124.334 -0.122 13.408 178 2HD2 LEU 23 HD21 LEU 23 125.620 -1.169 14.009 179 3HD2 LEU 23 HD23 LEU 23 124.052 -1.148 14.814 180 HA PRO 24 HA PRO 24 130.654 3.477 15.287 181 1HB PRO 24 HB2 PRO 24 131.113 2.231 17.862 182 2HB PRO 24 HB1 PRO 24 131.418 3.902 17.373 183 1HG PRO 24 HG2 PRO 24 129.266 2.854 18.984 184 2HG PRO 24 HG1 PRO 24 129.678 4.540 18.640 185 1HD PRO 24 HD2 PRO 24 127.434 3.197 17.681 186 2HD PRO 24 HD1 PRO 24 128.092 4.705 17.025 187 H ASP 25 HN ASP 25 129.002 0.628 16.595 188 HA ASP 25 HA ASP 25 131.077 -1.275 16.076 189 1HB ASP 25 HB2 ASP 25 128.940 -1.587 17.472 190 2HB ASP 25 HB1 ASP 25 128.119 -1.877 15.938 191 H ASP 26 HN ASP 26 128.343 -0.132 14.103 192 HA ASP 26 HA ASP 26 128.730 -1.894 11.892 193 1HB ASP 26 HB2 ASP 26 126.772 -0.271 12.370 194 2HB ASP 26 HB1 ASP 26 127.779 0.955 11.597 195 H LEU 27 HN LEU 27 130.362 1.063 12.846 196 HA LEU 27 HA LEU 27 131.659 1.572 10.318 197 1HB LEU 27 HB2 LEU 27 132.241 2.407 13.165 198 2HB LEU 27 HB1 LEU 27 133.280 2.884 11.821 199 HG LEU 27 HG LEU 27 130.299 3.334 11.720 200 1HD1 LEU 27 HD13 LEU 27 131.588 4.384 13.770 201 2HD1 LEU 27 HD12 LEU 27 132.206 5.499 12.552 202 3HD1 LEU 27 HD11 LEU 27 130.469 5.373 12.833 203 1HD2 LEU 27 HD22 LEU 27 131.734 3.497 9.656 204 2HD2 LEU 27 HD21 LEU 27 130.917 5.004 10.070 205 3HD2 LEU 27 HD23 LEU 27 132.629 4.798 10.442 206 H HIS 28 HN HIS 28 132.393 -0.460 13.094 207 HA HIS 28 HA HIS 28 135.138 -1.010 12.399 208 1HB HIS 28 HB2 HIS 28 133.167 -2.683 13.990 209 2HB HIS 28 HB1 HIS 28 134.916 -2.912 13.959 210 HD1 HIS 28 HD1 HIS 28 135.717 0.118 14.069 211 HD2 HIS 28 HD2 HIS 28 132.954 -1.696 16.609 212 HE1 HIS 28 HE1 HIS 28 135.607 1.555 16.152 213 H TYR 29 HN TYR 29 132.044 -2.525 11.576 214 HA TYR 29 HA TYR 29 133.183 -4.809 10.229 215 1HB TYR 29 HB2 TYR 29 130.761 -4.487 11.063 216 2HB TYR 29 HB1 TYR 29 130.505 -3.576 9.575 217 HD1 TYR 29 HD1 TYR 29 132.088 -6.803 10.671 218 HD2 TYR 29 HD2 TYR 29 129.727 -4.752 7.727 219 HE1 TYR 29 HE1 TYR 29 131.811 -8.924 9.417 220 HE2 TYR 29 HE2 TYR 29 129.449 -6.874 6.473 221 HH TYR 29 HH TYR 29 130.711 -9.057 6.254 222 H PHE 30 HN PHE 30 132.398 -1.521 9.258 223 HA PHE 30 HA PHE 30 132.523 -1.877 6.425 224 1HB PHE 30 HB2 PHE 30 131.697 0.185 7.632 225 2HB PHE 30 HB1 PHE 30 133.381 0.584 7.971 226 HD1 PHE 30 HD2 PHE 30 131.193 -0.406 5.084 227 HD2 PHE 30 HD1 PHE 30 134.532 1.928 6.451 228 HE1 PHE 30 HE2 PHE 30 131.411 0.605 2.830 229 HE2 PHE 30 HE1 PHE 30 134.752 2.937 4.196 230 HZ PHE 30 HZ PHE 30 133.190 2.276 2.386 231 H ARG 31 HN ARG 31 135.030 -1.242 8.854 232 HA ARG 31 HA ARG 31 137.193 -0.851 7.012 233 1HB ARG 31 HB2 ARG 31 137.195 -0.309 9.493 234 2HB ARG 31 HB1 ARG 31 137.400 -2.035 9.791 235 1HG ARG 31 HG2 ARG 31 139.459 -2.023 8.419 236 2HG ARG 31 HG1 ARG 31 139.262 -0.290 8.153 237 1HD ARG 31 HD2 ARG 31 139.682 0.229 10.413 238 2HD ARG 31 HD1 ARG 31 139.359 -1.422 10.945 239 HE ARG 31 HE ARG 31 141.900 -0.413 9.980 240 1HH1 ARG 31 HH21 ARG 31 139.852 -3.245 10.123 241 2HH1 ARG 31 HH22 ARG 31 141.184 -4.339 9.993 242 1HH2 ARG 31 HH11 ARG 31 143.594 -1.866 9.813 243 2HH2 ARG 31 HH12 ARG 31 143.281 -3.569 9.819 244 H ALA 32 HN ALA 32 135.667 -3.724 8.347 245 HA ALA 32 HA ALA 32 137.742 -5.574 7.538 246 1HB ALA 32 HB2 ALA 32 134.855 -5.866 8.358 247 2HB ALA 32 HB1 ALA 32 135.773 -7.251 7.769 248 3HB ALA 32 HB3 ALA 32 136.301 -6.394 9.217 249 H GLN 33 HN GLN 33 134.932 -4.162 5.972 250 HA GLN 33 HA GLN 33 135.372 -5.902 3.591 251 1HB GLN 33 HB2 GLN 33 133.074 -4.112 4.420 252 2HB GLN 33 HB1 GLN 33 133.180 -4.862 2.828 253 1HG GLN 33 HG2 GLN 33 133.531 -6.591 5.249 254 2HG GLN 33 HG1 GLN 33 131.902 -6.078 4.810 255 1HE2 GLN 33 HE22 GLN 33 132.889 -9.270 2.980 256 2HE2 GLN 33 HE21 GLN 33 132.986 -8.835 4.618 257 H THR 34 HN THR 34 137.306 -3.903 4.134 258 HA THR 34 HA THR 34 137.035 -2.284 1.677 259 HB THR 34 HB THR 34 137.794 -0.226 2.983 260 HG1 THR 34 HG1 THR 34 136.811 -1.789 5.134 261 1HG2 THR 34 HG23 THR 34 135.057 -1.394 3.563 262 2HG2 THR 34 HG22 THR 34 135.491 0.309 3.724 263 3HG2 THR 34 HG21 THR 34 135.505 -0.458 2.136 264 H VAL 35 HN VAL 35 139.046 -3.000 4.538 265 HA VAL 35 HA VAL 35 141.544 -2.244 3.390 266 HB VAL 35 HB VAL 35 142.542 -3.727 5.131 267 1HG1 VAL 35 HG13 VAL 35 140.207 -2.013 6.031 268 2HG1 VAL 35 HG12 VAL 35 141.527 -2.547 7.070 269 3HG1 VAL 35 HG11 VAL 35 141.852 -1.453 5.726 270 1HG2 VAL 35 HG23 VAL 35 139.759 -4.765 5.118 271 2HG2 VAL 35 HG22 VAL 35 141.267 -5.593 5.506 272 3HG2 VAL 35 HG21 VAL 35 140.491 -4.566 6.711 273 H GLY 36 HN GLY 36 142.734 -3.201 1.819 274 1HA GLY 36 HA2 GLY 36 143.583 -4.867 0.390 275 2HA GLY 36 HA1 GLY 36 142.851 -6.072 1.450 276 H LYS 37 HN LYS 37 140.994 -3.461 0.013 277 HA LYS 37 HA LYS 37 139.916 -5.248 -2.084 278 1HB LYS 37 HB2 LYS 37 138.338 -4.200 0.265 279 2HB LYS 37 HB1 LYS 37 137.550 -4.582 -1.266 280 1HG LYS 37 HG2 LYS 37 138.351 -6.877 -1.166 281 2HG LYS 37 HG1 LYS 37 139.290 -6.520 0.284 282 1HD LYS 37 HD2 LYS 37 137.289 -6.114 1.570 283 2HD LYS 37 HD1 LYS 37 136.282 -6.204 0.125 284 1HE LYS 37 HE2 LYS 37 136.127 -8.319 1.324 285 2HE LYS 37 HE1 LYS 37 137.010 -8.577 -0.181 286 1HZ LYS 37 HZ1 LYS 37 139.085 -8.359 1.065 287 2HZ LYS 37 HZ3 LYS 37 138.210 -8.181 2.507 288 3HZ LYS 37 HZ2 LYS 37 138.137 -9.644 1.647 289 H ILE 38 HN ILE 38 137.982 -3.863 -3.178 290 HA ILE 38 HA ILE 38 139.192 -1.199 -3.744 291 HB ILE 38 HB ILE 38 137.079 -2.707 -5.313 292 1HG1 ILE 38 HG12 ILE 38 140.053 -2.471 -5.865 293 2HG1 ILE 38 HG11 ILE 38 139.294 -3.896 -5.154 294 1HG2 ILE 38 HG23 ILE 38 137.243 -0.200 -5.593 295 2HG2 ILE 38 HG22 ILE 38 138.898 -0.436 -6.155 296 3HG2 ILE 38 HG21 ILE 38 137.551 -1.119 -7.066 297 1HD1 ILE 38 HD11 ILE 38 137.696 -3.705 -7.252 298 2HD1 ILE 38 HD13 ILE 38 139.054 -2.813 -7.939 299 3HD1 ILE 38 HD12 ILE 38 139.274 -4.479 -7.403 300 H MET 39 HN MET 39 138.220 0.540 -2.839 301 HA MET 39 HA MET 39 135.447 0.257 -1.807 302 1HB MET 39 HB2 MET 39 137.517 1.210 -0.488 303 2HB MET 39 HB1 MET 39 137.155 2.689 -1.378 304 1HG MET 39 HG2 MET 39 134.739 2.406 -0.583 305 2HG MET 39 HG1 MET 39 135.357 1.182 0.528 306 1HE MET 39 HE3 MET 39 135.411 4.559 -0.844 307 2HE MET 39 HE2 MET 39 135.974 5.662 0.410 308 3HE MET 39 HE1 MET 39 137.144 4.763 -0.553 309 H VAL 40 HN VAL 40 134.030 0.680 -3.465 310 HA VAL 40 HA VAL 40 134.552 3.030 -5.219 311 HB VAL 40 HB VAL 40 132.415 0.893 -5.476 312 1HG1 VAL 40 HG12 VAL 40 133.417 3.117 -7.264 313 2HG1 VAL 40 HG11 VAL 40 132.495 1.750 -7.888 314 3HG1 VAL 40 HG13 VAL 40 131.770 2.835 -6.702 315 1HG2 VAL 40 HG21 VAL 40 135.227 1.108 -6.558 316 2HG2 VAL 40 HG23 VAL 40 134.471 -0.259 -5.741 317 3HG2 VAL 40 HG22 VAL 40 133.996 0.156 -7.388 318 H VAL 41 HN VAL 41 133.562 4.900 -4.682 319 HA VAL 41 HA VAL 41 130.849 4.794 -3.466 320 HB VAL 41 HB VAL 41 131.536 6.606 -1.872 321 1HG1 VAL 41 HG12 VAL 41 131.626 3.984 -1.493 322 2HG1 VAL 41 HG11 VAL 41 133.361 4.280 -1.384 323 3HG1 VAL 41 HG13 VAL 41 132.256 5.087 -0.271 324 1HG2 VAL 41 HG22 VAL 41 133.543 7.300 -3.232 325 2HG2 VAL 41 HG21 VAL 41 133.894 7.052 -1.522 326 3HG2 VAL 41 HG23 VAL 41 134.347 5.822 -2.702 327 H GLY 42 HN GLY 42 129.834 7.045 -3.521 328 1HA GLY 42 HA2 GLY 42 130.399 8.249 -6.159 329 2HA GLY 42 HA1 GLY 42 128.994 8.588 -5.146 330 H ARG 43 HN ARG 43 129.634 10.879 -5.743 331 HA ARG 43 HA ARG 43 132.039 11.968 -4.478 332 1HB ARG 43 HB2 ARG 43 130.857 12.841 -6.610 333 2HB ARG 43 HB1 ARG 43 129.708 13.592 -5.502 334 1HG ARG 43 HG2 ARG 43 131.468 14.852 -4.425 335 2HG ARG 43 HG1 ARG 43 132.708 13.987 -5.334 336 1HD ARG 43 HD2 ARG 43 132.282 15.142 -7.284 337 2HD ARG 43 HD1 ARG 43 130.581 15.392 -6.889 338 HE ARG 43 HE ARG 43 132.775 17.166 -6.191 339 1HH1 ARG 43 HH11 ARG 43 129.617 16.019 -5.219 340 2HH1 ARG 43 HH12 ARG 43 129.262 17.453 -4.320 341 1HH2 ARG 43 HH21 ARG 43 132.274 19.003 -5.016 342 2HH2 ARG 43 HH22 ARG 43 130.748 19.126 -4.206 343 H ARG 44 HN ARG 44 128.536 12.027 -3.855 344 HA ARG 44 HA ARG 44 128.598 13.770 -1.597 345 1HB ARG 44 HB2 ARG 44 126.705 11.767 -2.715 346 2HB ARG 44 HB1 ARG 44 126.493 12.177 -1.013 347 1HG ARG 44 HG2 ARG 44 126.783 14.658 -1.954 348 2HG ARG 44 HG1 ARG 44 126.182 13.903 -3.431 349 1HD ARG 44 HD2 ARG 44 124.294 12.935 -2.034 350 2HD ARG 44 HD1 ARG 44 124.834 13.982 -0.722 351 HE ARG 44 HE ARG 44 123.898 15.814 -1.869 352 1HH1 ARG 44 HH21 ARG 44 124.252 13.091 -4.035 353 2HH1 ARG 44 HH22 ARG 44 123.392 13.871 -5.316 354 1HH2 ARG 44 HH11 ARG 44 122.793 16.785 -3.552 355 2HH2 ARG 44 HH12 ARG 44 122.574 15.940 -5.048 356 H THR 45 HN THR 45 129.313 10.349 -1.938 357 HA THR 45 HA THR 45 129.386 9.923 0.976 358 HB THR 45 HB THR 45 130.329 8.055 -1.215 359 HG1 THR 45 HG1 THR 45 127.774 8.319 -0.011 360 1HG2 THR 45 HG21 THR 45 130.976 7.624 1.198 361 2HG2 THR 45 HG23 THR 45 129.256 7.451 1.549 362 3HG2 THR 45 HG22 THR 45 130.045 6.335 0.435 363 H TYR 46 HN TYR 46 131.615 10.531 -1.672 364 HA TYR 46 HA TYR 46 134.040 9.794 -0.341 365 1HB TYR 46 HB2 TYR 46 133.779 10.293 -2.807 366 2HB TYR 46 HB1 TYR 46 133.707 12.004 -2.386 367 HD1 TYR 46 HD1 TYR 46 135.823 8.955 -1.848 368 HD2 TYR 46 HD2 TYR 46 135.690 13.234 -2.209 369 HE1 TYR 46 HE1 TYR 46 138.300 9.040 -1.761 370 HE2 TYR 46 HE2 TYR 46 138.167 13.318 -2.122 371 HH TYR 46 HH TYR 46 140.100 11.245 -2.789 372 H GLU 47 HN GLU 47 132.082 12.726 -0.289 373 HA GLU 47 HA GLU 47 134.075 14.210 1.281 374 1HB GLU 47 HB2 GLU 47 131.289 14.807 0.290 375 2HB GLU 47 HB1 GLU 47 132.099 15.872 1.440 376 1HG GLU 47 HG2 GLU 47 133.817 16.411 -0.082 377 2HG GLU 47 HG1 GLU 47 133.471 15.015 -1.104 378 H SER 48 HN SER 48 131.322 12.158 1.886 379 HA SER 48 HA SER 48 130.581 13.102 4.474 380 1HB SER 48 HB2 SER 48 130.420 10.363 3.198 381 2HB SER 48 HB1 SER 48 129.753 10.718 4.789 382 HG SER 48 HG SER 48 128.577 11.077 2.515 383 H PHE 49 HN PHE 49 133.236 11.078 3.385 384 HA PHE 49 HA PHE 49 133.947 9.912 5.889 385 1HB PHE 49 HB2 PHE 49 135.775 10.723 3.608 386 2HB PHE 49 HB1 PHE 49 136.167 9.576 4.891 387 HD1 PHE 49 HD2 PHE 49 134.072 7.791 5.237 388 HD2 PHE 49 HD1 PHE 49 135.238 9.723 1.581 389 HE1 PHE 49 HE2 PHE 49 133.008 5.968 3.935 390 HE2 PHE 49 HE1 PHE 49 134.171 7.900 0.280 391 HZ PHE 49 HZ PHE 49 133.057 6.023 1.456 392 HA PRO 50 HA PRO 50 135.728 13.368 8.067 393 1HB PRO 50 HB2 PRO 50 137.440 11.915 9.722 394 2HB PRO 50 HB1 PRO 50 135.722 12.212 10.027 395 1HG PRO 50 HG2 PRO 50 137.022 9.730 9.375 396 2HG PRO 50 HG1 PRO 50 135.325 10.015 9.784 397 1HD PRO 50 HD2 PRO 50 136.520 9.555 7.169 398 2HD PRO 50 HD1 PRO 50 134.810 9.584 7.625 399 H LYS 51 HN LYS 51 138.258 10.878 7.548 400 HA LYS 51 HA LYS 51 140.130 13.064 6.762 401 1HB LYS 51 HB2 LYS 51 140.696 11.413 8.650 402 2HB LYS 51 HB1 LYS 51 140.871 10.200 7.382 403 1HG LYS 51 HG2 LYS 51 143.033 10.951 7.362 404 2HG LYS 51 HG1 LYS 51 142.356 12.194 6.311 405 1HD LYS 51 HD2 LYS 51 143.475 13.486 7.902 406 2HD LYS 51 HD1 LYS 51 141.843 13.432 8.571 407 1HE LYS 51 HE2 LYS 51 142.563 11.411 9.914 408 2HE LYS 51 HE1 LYS 51 144.213 11.733 9.383 409 1HZ LYS 51 HZ3 LYS 51 142.480 13.655 10.839 410 2HZ LYS 51 HZ2 LYS 51 143.729 12.738 11.539 411 3HZ LYS 51 HZ1 LYS 51 144.088 13.918 10.370 412 H ARG 52 HN ARG 52 139.979 13.341 4.569 413 HA ARG 52 HA ARG 52 139.797 10.917 2.848 414 1HB ARG 52 HB2 ARG 52 139.463 13.833 2.081 415 2HB ARG 52 HB1 ARG 52 139.110 12.433 1.067 416 1HG ARG 52 HG2 ARG 52 137.244 11.809 2.361 417 2HG ARG 52 HG1 ARG 52 137.771 12.765 3.746 418 1HD ARG 52 HD2 ARG 52 137.548 14.709 1.843 419 2HD ARG 52 HD1 ARG 52 136.270 13.603 1.340 420 HE ARG 52 HE ARG 52 135.883 13.867 4.072 421 1HH1 ARG 52 HH11 ARG 52 136.138 16.093 1.385 422 2HH1 ARG 52 HH12 ARG 52 135.106 17.264 2.127 423 1HH2 ARG 52 HH21 ARG 52 134.552 15.410 4.994 424 2HH2 ARG 52 HH22 ARG 52 134.215 16.883 4.148 425 HA PRO 53 HA PRO 53 140.251 10.183 0.916 426 1HB PRO 53 HB2 PRO 53 142.202 8.437 -0.064 427 2HB PRO 53 HB1 PRO 53 141.409 9.721 -0.987 428 1HG PRO 53 HG2 PRO 53 144.146 9.570 -0.147 429 2HG PRO 53 HG1 PRO 53 143.359 10.829 -1.109 430 1HD PRO 53 HD2 PRO 53 144.093 10.866 1.720 431 2HD PRO 53 HD1 PRO 53 143.613 12.209 0.670 432 H LEU 54 HN LEU 54 140.530 7.525 1.039 433 HA LEU 54 HA LEU 54 141.045 7.013 3.923 434 1HB LEU 54 HB2 LEU 54 139.447 5.533 1.821 435 2HB LEU 54 HB1 LEU 54 139.761 4.871 3.426 436 HG LEU 54 HG LEU 54 138.465 7.564 2.930 437 1HD1 LEU 54 HD12 LEU 54 137.316 4.814 3.382 438 2HD1 LEU 54 HD11 LEU 54 136.425 6.260 3.856 439 3HD1 LEU 54 HD13 LEU 54 136.863 6.008 2.167 440 1HD2 LEU 54 HD22 LEU 54 138.984 5.865 5.380 441 2HD2 LEU 54 HD21 LEU 54 139.501 7.525 5.083 442 3HD2 LEU 54 HD23 LEU 54 137.798 7.171 5.372 443 HA PRO 55 HA PRO 55 144.742 4.846 2.410 444 1HB PRO 55 HB2 PRO 55 145.756 4.506 5.012 445 2HB PRO 55 HB1 PRO 55 146.149 5.819 3.895 446 1HG PRO 55 HG2 PRO 55 144.684 5.973 6.337 447 2HG PRO 55 HG1 PRO 55 145.054 7.279 5.201 448 1HD PRO 55 HD2 PRO 55 142.542 5.829 5.587 449 2HD PRO 55 HD1 PRO 55 142.840 7.349 4.729 450 H GLU 56 HN GLU 56 145.853 2.723 3.224 451 HA GLU 56 HA GLU 56 145.659 0.426 3.618 452 1HB GLU 56 HB2 GLU 56 143.465 1.321 5.514 453 2HB GLU 56 HB1 GLU 56 144.233 -0.267 5.503 454 1HG GLU 56 HG2 GLU 56 146.458 0.991 5.793 455 2HG GLU 56 HG1 GLU 56 145.473 2.398 6.198 456 H ARG 57 HN ARG 57 144.100 1.662 1.450 457 HA ARG 57 HA ARG 57 142.552 -0.591 0.648 458 1HB ARG 57 HB2 ARG 57 140.272 0.416 0.752 459 2HB ARG 57 HB1 ARG 57 140.951 0.118 2.351 460 1HG ARG 57 HG2 ARG 57 141.804 2.563 2.217 461 2HG ARG 57 HG1 ARG 57 140.643 2.745 0.903 462 1HD ARG 57 HD2 ARG 57 139.134 3.202 2.531 463 2HD ARG 57 HD1 ARG 57 139.144 1.467 2.843 464 HE ARG 57 HE ARG 57 141.304 2.647 4.278 465 1HH1 ARG 57 HH21 ARG 57 137.807 2.577 4.261 466 2HH1 ARG 57 HH22 ARG 57 137.694 2.867 5.962 467 1HH2 ARG 57 HH11 ARG 57 141.110 3.022 6.475 468 2HH2 ARG 57 HH12 ARG 57 139.541 3.117 7.203 469 H THR 58 HN THR 58 141.325 -0.105 -1.410 470 HA THR 58 HA THR 58 142.832 1.903 -2.971 471 HB THR 58 HB THR 58 140.721 0.055 -4.075 472 HG1 THR 58 HG1 THR 58 143.437 -0.552 -3.534 473 1HG2 THR 58 HG23 THR 58 143.298 1.218 -5.167 474 2HG2 THR 58 HG22 THR 58 142.214 0.146 -6.053 475 3HG2 THR 58 HG21 THR 58 141.666 1.751 -5.569 476 H ASN 59 HN ASN 59 141.992 3.899 -3.261 477 HA ASN 59 HA ASN 59 139.161 4.418 -2.646 478 1HB ASN 59 HB2 ASN 59 141.217 6.394 -3.669 479 2HB ASN 59 HB1 ASN 59 139.727 6.748 -2.797 480 1HD2 ASN 59 HD22 ASN 59 141.338 5.060 0.208 481 2HD2 ASN 59 HD21 ASN 59 140.060 4.590 -0.806 482 H VAL 60 HN VAL 60 137.591 4.545 -4.177 483 HA VAL 60 HA VAL 60 138.360 5.142 -6.990 484 HB VAL 60 HB VAL 60 136.519 2.864 -6.199 485 1HG1 VAL 60 HG12 VAL 60 137.653 3.789 -8.856 486 2HG1 VAL 60 HG11 VAL 60 136.739 2.300 -8.622 487 3HG1 VAL 60 HG13 VAL 60 135.963 3.861 -8.357 488 1HG2 VAL 60 HG23 VAL 60 139.424 2.930 -7.040 489 2HG2 VAL 60 HG22 VAL 60 138.724 2.162 -5.615 490 3HG2 VAL 60 HG21 VAL 60 138.430 1.484 -7.216 491 H VAL 61 HN VAL 61 137.334 7.154 -6.921 492 HA VAL 61 HA VAL 61 134.537 7.307 -5.967 493 HB VAL 61 HB VAL 61 136.290 9.496 -7.124 494 1HG1 VAL 61 HG12 VAL 61 133.662 9.440 -5.631 495 2HG1 VAL 61 HG11 VAL 61 134.661 10.891 -5.709 496 3HG1 VAL 61 HG13 VAL 61 134.014 10.185 -7.190 497 1HG2 VAL 61 HG22 VAL 61 135.840 8.592 -4.262 498 2HG2 VAL 61 HG21 VAL 61 137.367 8.595 -5.143 499 3HG2 VAL 61 HG23 VAL 61 136.600 10.121 -4.705 500 H LEU 62 HN LEU 62 132.813 7.996 -7.346 501 HA LEU 62 HA LEU 62 133.379 7.862 -10.276 502 1HB LEU 62 HB2 LEU 62 132.437 5.694 -9.449 503 2HB LEU 62 HB1 LEU 62 131.014 6.569 -8.884 504 HG LEU 62 HG LEU 62 130.941 7.473 -11.355 505 1HD1 LEU 62 HD13 LEU 62 132.823 5.145 -11.454 506 2HD1 LEU 62 HD12 LEU 62 131.689 5.366 -12.787 507 3HD1 LEU 62 HD11 LEU 62 132.842 6.640 -12.390 508 1HD2 LEU 62 HD23 LEU 62 130.139 4.711 -10.414 509 2HD2 LEU 62 HD22 LEU 62 129.137 6.159 -10.512 510 3HD2 LEU 62 HD21 LEU 62 129.655 5.343 -11.988 511 H THR 63 HN THR 63 132.825 9.836 -11.054 512 HA THR 63 HA THR 63 130.289 11.072 -10.064 513 HB THR 63 HB THR 63 132.132 12.320 -9.080 514 HG1 THR 63 HG1 THR 63 131.516 14.266 -9.811 515 1HG2 THR 63 HG21 THR 63 133.192 12.250 -11.902 516 2HG2 THR 63 HG23 THR 63 133.732 13.472 -10.750 517 3HG2 THR 63 HG22 THR 63 134.001 11.761 -10.412 518 H HIS 64 HN HIS 64 129.694 12.947 -11.711 519 HA HIS 64 HA HIS 64 130.000 11.798 -14.456 520 1HB HIS 64 HB2 HIS 64 127.695 12.777 -12.940 521 2HB HIS 64 HB1 HIS 64 127.831 13.572 -14.507 522 HD1 HIS 64 HD1 HIS 64 127.967 11.935 -16.634 523 HD2 HIS 64 HD2 HIS 64 126.791 10.138 -13.061 524 HE1 HIS 64 HE1 HIS 64 126.937 9.707 -17.257 525 H GLN 65 HN GLN 65 131.873 13.652 -13.176 526 HA GLN 65 HA GLN 65 131.677 15.859 -15.168 527 1HB GLN 65 HB2 GLN 65 130.905 16.556 -12.811 528 2HB GLN 65 HB1 GLN 65 132.591 16.358 -12.332 529 1HG GLN 65 HG2 GLN 65 133.301 17.986 -14.004 530 2HG GLN 65 HG1 GLN 65 131.648 18.131 -14.603 531 1HE2 GLN 65 HE22 GLN 65 131.289 20.865 -12.386 532 2HE2 GLN 65 HE21 GLN 65 131.302 20.343 -14.002 533 H GLU 66 HN GLU 66 133.685 16.495 -15.991 534 HA GLU 66 HA GLU 66 135.967 14.735 -15.252 535 1HB GLU 66 HB2 GLU 66 135.483 16.534 -17.646 536 2HB GLU 66 HB1 GLU 66 136.967 15.619 -17.383 537 1HG GLU 66 HG2 GLU 66 135.781 13.523 -17.474 538 2HG GLU 66 HG1 GLU 66 134.220 14.346 -17.475 539 H ASP 67 HN ASP 67 135.090 17.075 -13.627 540 HA ASP 67 HA ASP 67 137.538 18.775 -13.897 541 1HB ASP 67 HB2 ASP 67 135.200 19.843 -14.152 542 2HB ASP 67 HB1 ASP 67 135.029 19.571 -12.418 543 H TYR 68 HN TYR 68 135.436 17.011 -11.662 544 HA TYR 68 HA TYR 68 136.790 17.694 -9.240 545 1HB TYR 68 HB2 TYR 68 134.537 16.392 -9.666 546 2HB TYR 68 HB1 TYR 68 135.584 14.974 -9.642 547 HD1 TYR 68 HD1 TYR 68 134.968 18.127 -7.698 548 HD2 TYR 68 HD2 TYR 68 136.059 13.973 -7.590 549 HE1 TYR 68 HE1 TYR 68 135.021 18.205 -5.220 550 HE2 TYR 68 HE2 TYR 68 136.113 14.051 -5.111 551 HH TYR 68 HH TYR 68 136.181 16.896 -3.365 552 H GLN 69 HN GLN 69 138.920 17.337 -8.881 553 HA GLN 69 HA GLN 69 140.073 14.723 -9.770 554 1HB GLN 69 HB2 GLN 69 141.055 17.505 -10.167 555 2HB GLN 69 HB1 GLN 69 142.265 16.292 -9.746 556 1HG GLN 69 HG2 GLN 69 142.232 16.081 -12.061 557 2HG GLN 69 HG1 GLN 69 141.032 14.872 -11.605 558 1HE2 GLN 69 HE22 GLN 69 138.470 16.498 -13.372 559 2HE2 GLN 69 HE21 GLN 69 139.066 15.068 -12.678 560 H ALA 70 HN ALA 70 140.247 13.619 -7.862 561 HA ALA 70 HA ALA 70 141.008 15.039 -5.387 562 1HB ALA 70 HB1 ALA 70 139.235 13.195 -5.512 563 2HB ALA 70 HB3 ALA 70 140.572 12.065 -5.726 564 3HB ALA 70 HB2 ALA 70 140.450 13.016 -4.246 565 H GLN 71 HN GLN 71 142.994 14.800 -4.366 566 HA GLN 71 HA GLN 71 145.159 13.627 -6.003 567 1HB GLN 71 HB2 GLN 71 145.051 15.458 -3.615 568 2HB GLN 71 HB1 GLN 71 146.554 14.635 -4.034 569 1HG GLN 71 HG2 GLN 71 145.064 16.034 -6.218 570 2HG GLN 71 HG1 GLN 71 145.965 17.019 -5.064 571 1HE2 GLN 71 HE22 GLN 71 149.137 16.056 -6.310 572 2HE2 GLN 71 HE21 GLN 71 148.289 16.909 -5.112 573 H GLY 72 HN GLY 72 145.678 11.531 -5.666 574 1HA GLY 72 HA2 GLY 72 146.668 9.873 -4.133 575 2HA GLY 72 HA1 GLY 72 145.606 10.489 -2.866 576 H ALA 73 HN ALA 73 143.181 10.602 -4.271 577 HA ALA 73 HA ALA 73 142.523 7.729 -4.383 578 1HB ALA 73 HB2 ALA 73 140.821 10.234 -4.507 579 2HB ALA 73 HB1 ALA 73 140.165 8.599 -4.604 580 3HB ALA 73 HB3 ALA 73 140.994 9.131 -3.141 581 H VAL 74 HN VAL 74 141.312 6.835 -6.212 582 HA VAL 74 HA VAL 74 142.205 8.026 -8.790 583 HB VAL 74 HB VAL 74 141.035 5.280 -8.255 584 1HG1 VAL 74 HG11 VAL 74 142.230 6.672 -10.636 585 2HG1 VAL 74 HG13 VAL 74 142.392 4.923 -10.477 586 3HG1 VAL 74 HG12 VAL 74 140.789 5.657 -10.548 587 1HG2 VAL 74 HG21 VAL 74 143.852 6.346 -8.212 588 2HG2 VAL 74 HG23 VAL 74 143.069 5.243 -7.079 589 3HG2 VAL 74 HG22 VAL 74 143.545 4.673 -8.680 590 H VAL 75 HN VAL 75 140.708 9.328 -9.723 591 HA VAL 75 HA VAL 75 137.821 8.787 -9.254 592 HB VAL 75 HB VAL 75 139.129 11.162 -10.616 593 1HG1 VAL 75 HG12 VAL 75 136.666 10.593 -11.059 594 2HG1 VAL 75 HG11 VAL 75 136.387 10.962 -9.357 595 3HG1 VAL 75 HG13 VAL 75 136.997 12.212 -10.441 596 1HG2 VAL 75 HG22 VAL 75 139.832 10.931 -8.246 597 2HG2 VAL 75 HG21 VAL 75 138.782 12.329 -8.476 598 3HG2 VAL 75 HG23 VAL 75 138.138 10.849 -7.763 599 H VAL 76 HN VAL 76 136.773 7.615 -10.770 600 HA VAL 76 HA VAL 76 137.924 7.445 -13.509 601 HB VAL 76 HB VAL 76 136.335 5.520 -13.760 602 1HG1 VAL 76 HG12 VAL 76 138.340 5.581 -11.503 603 2HG1 VAL 76 HG11 VAL 76 137.505 4.095 -11.954 604 3HG1 VAL 76 HG13 VAL 76 138.537 4.917 -13.125 605 1HG2 VAL 76 HG21 VAL 76 134.868 6.604 -11.833 606 2HG2 VAL 76 HG23 VAL 76 134.911 4.854 -12.046 607 3HG2 VAL 76 HG22 VAL 76 135.894 5.613 -10.795 608 H HIS 77 HN HIS 77 135.982 7.079 -15.193 609 HA HIS 77 HA HIS 77 133.712 8.896 -14.664 610 1HB HIS 77 HB2 HIS 77 135.654 9.364 -16.950 611 2HB HIS 77 HB1 HIS 77 134.170 10.270 -16.650 612 HD1 HIS 77 HD1 HIS 77 134.101 11.657 -14.348 613 HD2 HIS 77 HD2 HIS 77 137.858 10.252 -15.486 614 HE1 HIS 77 HE1 HIS 77 135.795 12.944 -12.972 615 H ASP 78 HN ASP 78 133.926 6.051 -15.130 616 HA ASP 78 HA ASP 78 131.922 5.752 -17.186 617 1HB ASP 78 HB2 ASP 78 134.158 6.015 -18.470 618 2HB ASP 78 HB1 ASP 78 134.539 4.406 -17.854 619 H VAL 79 HN VAL 79 130.720 4.037 -16.534 620 HA VAL 79 HA VAL 79 131.472 2.394 -14.317 621 HB VAL 79 HB VAL 79 129.361 1.821 -16.422 622 1HG1 VAL 79 HG12 VAL 79 129.897 0.809 -13.627 623 2HG1 VAL 79 HG11 VAL 79 128.287 0.724 -14.344 624 3HG1 VAL 79 HG13 VAL 79 129.635 -0.128 -15.099 625 1HG2 VAL 79 HG22 VAL 79 129.453 4.099 -14.989 626 2HG2 VAL 79 HG21 VAL 79 127.934 3.282 -15.353 627 3HG2 VAL 79 HG23 VAL 79 128.705 3.050 -13.785 628 H ALA 80 HN ALA 80 131.704 1.930 -17.814 629 HA ALA 80 HA ALA 80 132.381 -0.858 -17.760 630 1HB ALA 80 HB3 ALA 80 132.999 1.341 -19.749 631 2HB ALA 80 HB2 ALA 80 133.414 -0.351 -20.024 632 3HB ALA 80 HB1 ALA 80 131.724 0.126 -19.855 633 H ALA 81 HN ALA 81 134.283 2.091 -17.392 634 HA ALA 81 HA ALA 81 136.865 0.797 -17.554 635 1HB ALA 81 HB1 ALA 81 136.481 3.261 -17.871 636 2HB ALA 81 HB3 ALA 81 136.155 3.386 -16.143 637 3HB ALA 81 HB2 ALA 81 137.752 2.893 -16.705 638 H VAL 82 HN VAL 82 134.620 1.538 -14.923 639 HA VAL 82 HA VAL 82 136.362 0.914 -12.743 640 HB VAL 82 HB VAL 82 133.359 0.503 -12.872 641 1HG1 VAL 82 HG13 VAL 82 135.253 1.056 -10.565 642 2HG1 VAL 82 HG12 VAL 82 133.499 0.913 -10.439 643 3HG1 VAL 82 HG11 VAL 82 134.467 -0.487 -10.902 644 1HG2 VAL 82 HG22 VAL 82 135.073 2.943 -12.673 645 2HG2 VAL 82 HG21 VAL 82 133.491 2.743 -13.426 646 3HG2 VAL 82 HG23 VAL 82 133.622 2.882 -11.673 647 H PHE 83 HN PHE 83 134.457 -1.102 -14.905 648 HA PHE 83 HA PHE 83 134.700 -3.526 -13.332 649 1HB PHE 83 HB2 PHE 83 133.897 -2.893 -16.161 650 2HB PHE 83 HB1 PHE 83 134.169 -4.567 -15.676 651 HD1 PHE 83 HD1 PHE 83 133.152 -4.925 -13.086 652 HD2 PHE 83 HD2 PHE 83 131.643 -2.315 -16.147 653 HE1 PHE 83 HE1 PHE 83 130.908 -4.986 -12.032 654 HE2 PHE 83 HE2 PHE 83 129.399 -2.377 -15.093 655 HZ PHE 83 HZ PHE 83 129.032 -3.713 -13.035 656 H ALA 84 HN ALA 84 136.542 -2.073 -15.992 657 HA ALA 84 HA ALA 84 138.298 -4.291 -16.449 658 1HB ALA 84 HB2 ALA 84 138.424 -1.340 -17.003 659 2HB ALA 84 HB1 ALA 84 139.862 -2.330 -17.245 660 3HB ALA 84 HB3 ALA 84 138.388 -2.685 -18.143 661 H TYR 85 HN TYR 85 138.324 -1.651 -14.118 662 HA TYR 85 HA TYR 85 141.019 -2.004 -13.188 663 1HB TYR 85 HB2 TYR 85 139.428 -0.038 -12.736 664 2HB TYR 85 HB1 TYR 85 138.704 -1.055 -11.490 665 HD1 TYR 85 HD2 TYR 85 141.721 0.789 -12.517 666 HD2 TYR 85 HD1 TYR 85 139.948 -1.679 -9.482 667 HE1 TYR 85 HE2 TYR 85 143.547 1.401 -10.955 668 HE2 TYR 85 HE1 TYR 85 141.773 -1.067 -7.918 669 HH TYR 85 HH TYR 85 143.792 1.502 -8.368 670 H ALA 86 HN ALA 86 137.994 -3.642 -12.475 671 HA ALA 86 HA ALA 86 138.951 -4.981 -10.082 672 1HB ALA 86 HB2 ALA 86 136.657 -5.669 -11.946 673 2HB ALA 86 HB1 ALA 86 136.926 -6.383 -10.356 674 3HB ALA 86 HB3 ALA 86 136.545 -4.667 -10.498 675 H LYS 87 HN LYS 87 138.729 -5.840 -13.523 676 HA LYS 87 HA LYS 87 139.552 -8.564 -13.270 677 1HB LYS 87 HB2 LYS 87 139.802 -6.563 -15.526 678 2HB LYS 87 HB1 LYS 87 140.313 -8.244 -15.688 679 1HG LYS 87 HG2 LYS 87 137.866 -8.660 -14.661 680 2HG LYS 87 HG1 LYS 87 137.566 -7.111 -15.452 681 1HD LYS 87 HD2 LYS 87 138.826 -9.503 -16.824 682 2HD LYS 87 HD1 LYS 87 137.116 -9.085 -16.935 683 1HE LYS 87 HE2 LYS 87 137.537 -7.124 -18.142 684 2HE LYS 87 HE1 LYS 87 139.209 -7.026 -17.586 685 1HZ LYS 87 HZ1 LYS 87 138.194 -9.189 -19.341 686 2HZ LYS 87 HZ3 LYS 87 138.923 -7.776 -19.930 687 3HZ LYS 87 HZ2 LYS 87 139.812 -8.845 -18.953 688 H GLN 88 HN GLN 88 141.431 -5.578 -13.786 689 HA GLN 88 HA GLN 88 143.995 -6.818 -13.995 690 1HB GLN 88 HB2 GLN 88 142.989 -4.079 -13.353 691 2HB GLN 88 HB1 GLN 88 144.666 -4.448 -12.950 692 1HG GLN 88 HG2 GLN 88 145.243 -4.878 -15.188 693 2HG GLN 88 HG1 GLN 88 143.564 -5.130 -15.668 694 1HE2 GLN 88 HE21 GLN 88 143.140 -3.444 -17.125 695 2HE2 GLN 88 HE22 GLN 88 143.433 -1.803 -16.806 696 H HIS 89 HN HIS 89 141.975 -6.061 -11.232 697 HA HIS 89 HA HIS 89 144.171 -6.967 -9.414 698 1HB HIS 89 HB2 HIS 89 141.812 -5.132 -8.981 699 2HB HIS 89 HB1 HIS 89 142.684 -5.856 -7.632 700 HD1 HIS 89 HD1 HIS 89 142.773 -2.801 -8.025 701 HD2 HIS 89 HD2 HIS 89 145.613 -5.407 -9.614 702 HE1 HIS 89 HE1 HIS 89 144.862 -1.427 -8.424 703 HA PRO 90 HA PRO 90 141.196 -10.462 -9.218 704 1HB PRO 90 HB2 PRO 90 143.239 -12.302 -8.671 705 2HB PRO 90 HB1 PRO 90 142.532 -11.972 -10.258 706 1HG PRO 90 HG2 PRO 90 145.173 -11.365 -9.334 707 2HG PRO 90 HG1 PRO 90 144.472 -11.067 -10.931 708 1HD PRO 90 HD2 PRO 90 144.952 -9.180 -8.759 709 2HD PRO 90 HD1 PRO 90 144.534 -8.857 -10.448 710 H ASP 91 HN ASP 91 144.015 -9.977 -7.074 711 HA ASP 91 HA ASP 91 142.970 -11.412 -4.832 712 1HB ASP 91 HB2 ASP 91 145.039 -9.254 -5.171 713 2HB ASP 91 HB1 ASP 91 144.551 -9.759 -3.554 714 H GLN 92 HN GLN 92 142.637 -8.034 -5.858 715 HA GLN 92 HA GLN 92 140.973 -7.419 -3.492 716 1HB GLN 92 HB2 GLN 92 142.308 -5.854 -5.644 717 2HB GLN 92 HB1 GLN 92 140.817 -5.179 -4.986 718 1HG GLN 92 HG2 GLN 92 142.393 -4.290 -3.520 719 2HG GLN 92 HG1 GLN 92 141.931 -5.763 -2.667 720 1HE2 GLN 92 HE22 GLN 92 145.629 -5.568 -4.451 721 2HE2 GLN 92 HE21 GLN 92 144.410 -4.493 -4.941 722 H GLU 93 HN GLU 93 138.754 -6.832 -3.670 723 HA GLU 93 HA GLU 93 137.455 -7.706 -6.221 724 1HB GLU 93 HB2 GLU 93 136.676 -8.036 -3.335 725 2HB GLU 93 HB1 GLU 93 135.427 -8.009 -4.582 726 1HG GLU 93 HG2 GLU 93 136.178 -9.971 -5.574 727 2HG GLU 93 HG1 GLU 93 137.827 -9.761 -4.982 728 H LEU 94 HN LEU 94 135.066 -6.680 -6.212 729 HA LEU 94 HA LEU 94 135.493 -3.744 -5.950 730 1HB LEU 94 HB2 LEU 94 134.773 -4.873 -8.156 731 2HB LEU 94 HB1 LEU 94 133.201 -5.091 -7.386 732 HG LEU 94 HG LEU 94 133.194 -2.610 -6.902 733 1HD1 LEU 94 HD11 LEU 94 135.698 -2.827 -8.571 734 2HD1 LEU 94 HD13 LEU 94 134.768 -1.330 -8.512 735 3HD1 LEU 94 HD12 LEU 94 135.472 -1.991 -7.035 736 1HD2 LEU 94 HD23 LEU 94 133.317 -3.607 -9.761 737 2HD2 LEU 94 HD22 LEU 94 131.882 -3.405 -8.755 738 3HD2 LEU 94 HD21 LEU 94 132.762 -1.990 -9.330 739 H VAL 95 HN VAL 95 134.453 -2.657 -4.356 740 HA VAL 95 HA VAL 95 132.098 -3.977 -3.059 741 HB VAL 95 HB VAL 95 134.093 -2.098 -1.758 742 1HG1 VAL 95 HG13 VAL 95 131.813 -2.115 -0.778 743 2HG1 VAL 95 HG12 VAL 95 131.919 -3.866 -0.594 744 3HG1 VAL 95 HG11 VAL 95 133.001 -2.815 0.320 745 1HG2 VAL 95 HG22 VAL 95 133.842 -5.120 -1.644 746 2HG2 VAL 95 HG21 VAL 95 135.193 -4.205 -2.312 747 3HG2 VAL 95 HG23 VAL 95 134.872 -4.164 -0.579 748 H ILE 96 HN ILE 96 130.245 -2.775 -3.009 749 HA ILE 96 HA ILE 96 130.435 0.060 -3.939 750 HB ILE 96 HB ILE 96 128.004 -1.751 -3.985 751 1HG1 ILE 96 HG12 ILE 96 129.787 -2.669 -5.430 752 2HG1 ILE 96 HG11 ILE 96 128.468 -2.019 -6.400 753 1HG2 ILE 96 HG21 ILE 96 127.696 0.764 -4.005 754 2HG2 ILE 96 HG23 ILE 96 128.576 0.789 -5.533 755 3HG2 ILE 96 HG22 ILE 96 127.041 -0.072 -5.412 756 1HD1 ILE 96 HD13 ILE 96 131.045 -0.549 -5.760 757 2HD1 ILE 96 HD12 ILE 96 130.686 -1.345 -7.292 758 3HD1 ILE 96 HD11 ILE 96 129.737 0.050 -6.780 759 H ALA 97 HN ALA 97 130.200 1.503 -2.320 760 HA ALA 97 HA ALA 97 128.634 0.712 0.092 761 1HB ALA 97 HB3 ALA 97 131.099 1.658 0.106 762 2HB ALA 97 HB2 ALA 97 130.284 3.213 -0.057 763 3HB ALA 97 HB1 ALA 97 129.945 2.181 1.333 764 H GLY 98 HN GLY 98 128.699 2.965 -2.588 765 1HA GLY 98 HA2 GLY 98 126.111 3.681 -2.784 766 2HA GLY 98 HA1 GLY 98 126.592 4.655 -1.393 767 H GLY 99 HN GLY 99 127.215 6.987 -4.126 768 1HA GLY 99 HA2 GLY 99 125.449 6.246 -1.921 769 2HA GLY 99 HA1 GLY 99 125.199 7.580 -3.048 770 H ALA 100 HN ALA 100 122.948 6.890 -3.206 771 HA ALA 100 HA ALA 100 122.142 4.296 -4.093 772 1HB ALA 100 HB1 ALA 100 120.857 7.025 -4.265 773 2HB ALA 100 HB3 ALA 100 120.066 5.583 -4.902 774 3HB ALA 100 HB2 ALA 100 120.447 5.693 -3.184 775 H GLN 101 HN GLN 101 123.223 7.167 -5.834 776 HA GLN 101 HA GLN 101 122.418 6.363 -8.459 777 1HB GLN 101 HB2 GLN 101 124.468 8.246 -7.347 778 2HB GLN 101 HB1 GLN 101 124.531 7.840 -9.062 779 1HG GLN 101 HG2 GLN 101 122.222 8.569 -9.360 780 2HG GLN 101 HG1 GLN 101 122.068 8.878 -7.631 781 1HE2 GLN 101 HE22 GLN 101 123.324 11.872 -9.857 782 2HE2 GLN 101 HE21 GLN 101 122.351 10.582 -10.375 783 H ILE 102 HN ILE 102 125.228 5.566 -6.482 784 HA ILE 102 HA ILE 102 126.658 4.236 -8.648 785 HB ILE 102 HB ILE 102 127.051 3.939 -5.658 786 1HG1 ILE 102 HG12 ILE 102 127.140 6.316 -6.325 787 2HG1 ILE 102 HG11 ILE 102 128.742 5.726 -5.891 788 1HG2 ILE 102 HG22 ILE 102 128.863 3.458 -8.041 789 2HG2 ILE 102 HG21 ILE 102 129.383 3.386 -6.357 790 3HG2 ILE 102 HG23 ILE 102 128.197 2.230 -6.964 791 1HD1 ILE 102 HD13 ILE 102 129.218 5.351 -8.317 792 2HD1 ILE 102 HD12 ILE 102 127.650 6.061 -8.703 793 3HD1 ILE 102 HD11 ILE 102 128.900 7.045 -7.940 794 H PHE 103 HN PHE 103 124.501 3.248 -6.021 795 HA PHE 103 HA PHE 103 124.844 0.418 -6.327 796 1HB PHE 103 HB2 PHE 103 122.601 2.122 -5.231 797 2HB PHE 103 HB1 PHE 103 122.492 0.363 -5.279 798 HD1 PHE 103 HD1 PHE 103 125.129 -0.593 -4.615 799 HD2 PHE 103 HD2 PHE 103 123.032 2.812 -3.047 800 HE1 PHE 103 HE1 PHE 103 126.459 -0.735 -2.528 801 HE2 PHE 103 HE2 PHE 103 124.365 2.670 -0.960 802 HZ PHE 103 HZ PHE 103 126.077 0.895 -0.701 803 H THR 104 HN THR 104 122.581 2.730 -7.809 804 HA THR 104 HA THR 104 121.025 0.816 -9.251 805 HB THR 104 HB THR 104 121.643 3.610 -10.227 806 HG1 THR 104 HG1 THR 104 121.066 3.984 -8.180 807 1HG2 THR 104 HG23 THR 104 119.297 1.713 -10.444 808 2HG2 THR 104 HG22 THR 104 119.188 3.421 -10.870 809 3HG2 THR 104 HG21 THR 104 120.287 2.360 -11.753 810 H ALA 105 HN ALA 105 124.110 2.374 -9.945 811 HA ALA 105 HA ALA 105 124.284 1.621 -12.712 812 1HB ALA 105 HB2 ALA 105 125.741 3.321 -11.513 813 2HB ALA 105 HB1 ALA 105 126.605 1.960 -10.798 814 3HB ALA 105 HB3 ALA 105 126.613 2.189 -12.546 815 H PHE 106 HN PHE 106 125.454 0.057 -9.726 816 HA PHE 106 HA PHE 106 126.189 -2.348 -11.311 817 1HB PHE 106 HB2 PHE 106 126.650 -1.739 -8.374 818 2HB PHE 106 HB1 PHE 106 127.318 -3.103 -9.271 819 HD1 PHE 106 HD1 PHE 106 128.492 -2.332 -11.598 820 HD2 PHE 106 HD2 PHE 106 128.061 0.084 -8.073 821 HE1 PHE 106 HE1 PHE 106 130.393 -0.921 -12.334 822 HE2 PHE 106 HE2 PHE 106 129.963 1.496 -8.809 823 HZ PHE 106 HZ PHE 106 131.129 0.995 -10.940 824 H LYS 107 HN LYS 107 123.467 -1.937 -11.240 825 HA LYS 107 HA LYS 107 122.234 -3.366 -9.013 826 1HB LYS 107 HB2 LYS 107 121.124 -1.555 -10.434 827 2HB LYS 107 HB1 LYS 107 120.988 -2.770 -11.706 828 1HG LYS 107 HG2 LYS 107 118.979 -3.175 -10.676 829 2HG LYS 107 HG1 LYS 107 119.987 -4.190 -9.645 830 1HD LYS 107 HD2 LYS 107 118.928 -2.925 -8.023 831 2HD LYS 107 HD1 LYS 107 120.329 -1.899 -8.331 832 1HE LYS 107 HE2 LYS 107 118.636 -0.333 -8.548 833 2HE LYS 107 HE1 LYS 107 118.748 -0.894 -10.217 834 1HZ LYS 107 HZ3 LYS 107 117.020 -2.599 -9.546 835 2HZ LYS 107 HZ2 LYS 107 116.773 -1.658 -8.153 836 3HZ LYS 107 HZ1 LYS 107 116.490 -0.994 -9.691 837 H ASP 108 HN ASP 108 122.915 -4.091 -12.440 838 HA ASP 108 HA ASP 108 121.961 -6.846 -12.170 839 1HB ASP 108 HB2 ASP 108 123.196 -5.203 -14.358 840 2HB ASP 108 HB1 ASP 108 123.179 -6.960 -14.507 841 H ASP 109 HN ASP 109 125.044 -5.151 -12.071 842 HA ASP 109 HA ASP 109 126.562 -7.682 -12.010 843 1HB ASP 109 HB2 ASP 109 127.338 -4.761 -11.920 844 2HB ASP 109 HB1 ASP 109 128.513 -6.046 -11.638 845 H VAL 110 HN VAL 110 124.950 -7.946 -9.961 846 HA VAL 110 HA VAL 110 126.657 -7.368 -7.589 847 HB VAL 110 HB VAL 110 124.847 -5.691 -7.616 848 1HG1 VAL 110 HG12 VAL 110 123.311 -7.381 -8.907 849 2HG1 VAL 110 HG11 VAL 110 122.826 -7.891 -7.290 850 3HG1 VAL 110 HG13 VAL 110 122.581 -6.220 -7.799 851 1HG2 VAL 110 HG22 VAL 110 125.651 -6.775 -5.457 852 2HG2 VAL 110 HG21 VAL 110 124.044 -6.051 -5.382 853 3HG2 VAL 110 HG23 VAL 110 124.218 -7.799 -5.534 854 H ASP 111 HN ASP 111 126.715 -9.058 -6.103 855 HA ASP 111 HA ASP 111 124.957 -11.413 -6.654 856 1HB ASP 111 HB2 ASP 111 127.952 -11.307 -6.325 857 2HB ASP 111 HB1 ASP 111 127.053 -12.773 -5.930 858 H THR 112 HN THR 112 127.514 -10.603 -4.284 859 HA THR 112 HA THR 112 125.849 -11.640 -2.105 860 HB THR 112 HB THR 112 128.472 -10.153 -1.848 861 HG1 THR 112 HG1 THR 112 127.960 -12.883 -2.410 862 1HG2 THR 112 HG21 THR 112 127.169 -10.599 0.218 863 2HG2 THR 112 HG23 THR 112 127.166 -12.318 -0.176 864 3HG2 THR 112 HG22 THR 112 128.686 -11.499 0.186 865 H LEU 113 HN LEU 113 124.346 -10.402 -1.118 866 HA LEU 113 HA LEU 113 124.661 -7.434 -1.220 867 1HB LEU 113 HB2 LEU 113 122.178 -9.110 -0.734 868 2HB LEU 113 HB1 LEU 113 122.226 -7.350 -0.829 869 HG LEU 113 HG LEU 113 123.378 -8.931 -3.096 870 1HD1 LEU 113 HD11 LEU 113 120.463 -8.661 -2.397 871 2HD1 LEU 113 HD13 LEU 113 120.965 -8.702 -4.087 872 3HD1 LEU 113 HD12 LEU 113 121.328 -10.065 -3.026 873 1HD2 LEU 113 HD21 LEU 113 122.168 -6.233 -2.599 874 2HD2 LEU 113 HD23 LEU 113 123.657 -6.649 -3.446 875 3HD2 LEU 113 HD22 LEU 113 122.098 -6.905 -4.228 876 H LEU 114 HN LEU 114 125.897 -7.063 0.630 877 HA LEU 114 HA LEU 114 125.099 -8.293 3.192 878 1HB LEU 114 HB2 LEU 114 127.380 -6.557 2.276 879 2HB LEU 114 HB1 LEU 114 127.031 -6.719 3.998 880 HG LEU 114 HG LEU 114 127.216 -9.181 2.289 881 1HD1 LEU 114 HD12 LEU 114 129.512 -7.549 3.398 882 2HD1 LEU 114 HD11 LEU 114 129.664 -9.259 2.995 883 3HD1 LEU 114 HD13 LEU 114 129.276 -8.087 1.735 884 1HD2 LEU 114 HD22 LEU 114 127.751 -8.492 5.194 885 2HD2 LEU 114 HD21 LEU 114 126.424 -9.465 4.559 886 3HD2 LEU 114 HD23 LEU 114 128.076 -10.076 4.490 887 H VAL 115 HN VAL 115 123.688 -7.316 4.555 888 HA VAL 115 HA VAL 115 123.427 -4.352 4.461 889 HB VAL 115 HB VAL 115 121.641 -5.301 3.040 890 1HG1 VAL 115 HG12 VAL 115 121.611 -7.491 4.410 891 2HG1 VAL 115 HG11 VAL 115 120.525 -6.634 5.504 892 3HG1 VAL 115 HG13 VAL 115 120.067 -6.879 3.819 893 1HG2 VAL 115 HG22 VAL 115 121.188 -3.264 4.375 894 2HG2 VAL 115 HG21 VAL 115 119.731 -4.238 4.176 895 3HG2 VAL 115 HG23 VAL 115 120.612 -4.271 5.704 896 H THR 116 HN THR 116 123.125 -3.440 6.473 897 HA THR 116 HA THR 116 123.092 -5.320 8.785 898 HB THR 116 HB THR 116 123.759 -2.361 8.755 899 HG1 THR 116 HG1 THR 116 125.887 -3.046 8.726 900 1HG2 THR 116 HG21 THR 116 124.241 -4.552 10.794 901 2HG2 THR 116 HG23 THR 116 124.793 -2.884 10.938 902 3HG2 THR 116 HG22 THR 116 123.066 -3.244 10.942 903 H ARG 117 HN ARG 117 120.885 -5.707 9.058 904 HA ARG 117 HA ARG 117 118.912 -3.570 8.958 905 1HB ARG 117 HB2 ARG 117 118.828 -6.459 9.844 906 2HB ARG 117 HB1 ARG 117 117.429 -5.393 9.989 907 1HG ARG 117 HG2 ARG 117 118.108 -4.875 7.429 908 2HG ARG 117 HG1 ARG 117 118.698 -6.533 7.553 909 1HD ARG 117 HD2 ARG 117 116.354 -6.972 8.673 910 2HD ARG 117 HD1 ARG 117 115.895 -5.496 7.824 911 HE ARG 117 HE ARG 117 117.254 -7.413 6.101 912 1HH1 ARG 117 HH11 ARG 117 114.181 -6.465 7.477 913 2HH1 ARG 117 HH12 ARG 117 113.271 -7.205 6.207 914 1HH2 ARG 117 HH21 ARG 117 116.038 -8.354 4.478 915 2HH2 ARG 117 HH22 ARG 117 114.309 -8.264 4.526 916 H LEU 118 HN LEU 118 118.417 -2.197 10.584 917 HA LEU 118 HA LEU 118 119.538 -2.737 13.285 918 1HB LEU 118 HB2 LEU 118 118.778 -0.300 11.750 919 2HB LEU 118 HB1 LEU 118 118.544 -0.241 13.497 920 HG LEU 118 HG LEU 118 120.957 -1.190 13.635 921 1HD1 LEU 118 HD12 LEU 118 120.785 -0.229 10.772 922 2HD1 LEU 118 HD11 LEU 118 122.318 -0.340 11.635 923 3HD1 LEU 118 HD13 LEU 118 121.355 -1.791 11.362 924 1HD2 LEU 118 HD21 LEU 118 120.198 1.150 14.211 925 2HD2 LEU 118 HD23 LEU 118 121.865 1.053 13.646 926 3HD2 LEU 118 HD22 LEU 118 120.598 1.622 12.560 927 H ALA 119 HN ALA 119 117.910 -1.487 14.985 928 HA ALA 119 HA ALA 119 115.227 -2.743 14.548 929 1HB ALA 119 HB3 ALA 119 116.790 -2.400 17.125 930 2HB ALA 119 HB2 ALA 119 115.137 -3.008 17.029 931 3HB ALA 119 HB1 ALA 119 116.457 -3.922 16.299 932 H GLY 120 HN GLY 120 116.987 -0.053 16.075 933 1HA GLY 120 HA2 GLY 120 114.675 1.394 16.950 934 2HA GLY 120 HA1 GLY 120 116.268 2.100 16.671 935 H SER 121 HN SER 121 113.371 2.859 15.877 936 HA SER 121 HA SER 121 113.479 2.844 12.944 937 1HB SER 121 HB2 SER 121 111.412 4.309 13.214 938 2HB SER 121 HB1 SER 121 111.290 2.692 13.902 939 HG SER 121 HG SER 121 111.800 5.147 15.226 940 H PHE 122 HN PHE 122 113.816 4.685 11.639 941 HA PHE 122 HA PHE 122 114.639 7.206 12.970 942 1HB PHE 122 HB2 PHE 122 116.373 5.695 10.991 943 2HB PHE 122 HB1 PHE 122 116.717 7.303 11.631 944 HD1 PHE 122 HD1 PHE 122 116.967 7.578 14.158 945 HD2 PHE 122 HD2 PHE 122 116.967 3.753 12.206 946 HE1 PHE 122 HE1 PHE 122 118.027 6.560 16.155 947 HE2 PHE 122 HE2 PHE 122 118.026 2.734 14.203 948 HZ PHE 122 HZ PHE 122 118.556 4.137 16.177 949 H GLU 123 HN GLU 123 114.660 9.024 11.463 950 HA GLU 123 HA GLU 123 113.079 8.481 8.979 951 1HB GLU 123 HB2 GLU 123 112.188 10.810 9.276 952 2HB GLU 123 HB1 GLU 123 111.724 9.715 10.578 953 1HG GLU 123 HG2 GLU 123 113.504 10.585 12.002 954 2HG GLU 123 HG1 GLU 123 114.088 11.610 10.691 955 H GLY 124 HN GLY 124 113.643 9.740 7.118 956 1HA GLY 124 HA2 GLY 124 115.655 11.762 7.070 957 2HA GLY 124 HA1 GLY 124 116.413 10.209 6.717 958 H ASP 125 HN ASP 125 116.795 11.358 4.580 959 HA ASP 125 HA ASP 125 114.385 11.168 2.817 960 1HB ASP 125 HB2 ASP 125 116.884 12.860 2.645 961 2HB ASP 125 HB1 ASP 125 115.817 12.623 1.261 962 H THR 126 HN THR 126 117.761 10.235 3.233 963 HA THR 126 HA THR 126 117.996 8.917 0.658 964 HB THR 126 HB THR 126 119.654 8.179 3.058 965 HG1 THR 126 HG1 THR 126 120.887 10.047 2.634 966 1HG2 THR 126 HG21 THR 126 119.822 7.280 0.586 967 2HG2 THR 126 HG23 THR 126 120.643 8.814 0.300 968 3HG2 THR 126 HG22 THR 126 121.288 7.676 1.483 969 H LYS 127 HN LYS 127 117.215 6.938 0.117 970 HA LYS 127 HA LYS 127 116.663 4.974 2.295 971 1HB LYS 127 HB2 LYS 127 114.772 5.873 0.110 972 2HB LYS 127 HB1 LYS 127 114.559 4.353 0.980 973 1HG LYS 127 HG2 LYS 127 114.197 5.441 3.039 974 2HG LYS 127 HG1 LYS 127 114.910 6.950 2.469 975 1HD LYS 127 HD2 LYS 127 112.973 6.968 0.743 976 2HD LYS 127 HD1 LYS 127 112.214 5.777 1.801 977 1HE LYS 127 HE2 LYS 127 111.927 7.289 3.529 978 2HE LYS 127 HE1 LYS 127 113.314 8.264 3.046 979 1HZ LYS 127 HZ1 LYS 127 112.018 8.959 1.078 980 2HZ LYS 127 HZ3 LYS 127 110.673 8.136 1.700 981 3HZ LYS 127 HZ2 LYS 127 111.324 9.457 2.546 982 H MET 128 HN MET 128 116.693 2.750 1.548 983 HA MET 128 HA MET 128 118.640 2.281 -0.548 984 1HB MET 128 HB2 MET 128 118.326 0.854 1.528 985 2HB MET 128 HB1 MET 128 116.855 0.226 0.781 986 1HG MET 128 HG2 MET 128 118.646 -1.308 0.258 987 2HG MET 128 HG1 MET 128 118.247 -0.429 -1.219 988 1HE MET 128 HE2 MET 128 119.935 -0.720 -2.484 989 2HE MET 128 HE1 MET 128 121.557 -0.039 -2.396 990 3HE MET 128 HE3 MET 128 121.204 -1.590 -1.625 991 H ILE 129 HN ILE 129 118.286 1.246 -2.567 992 HA ILE 129 HA ILE 129 115.763 1.897 -3.852 993 HB ILE 129 HB ILE 129 116.800 0.749 -5.827 994 1HG1 ILE 129 HG12 ILE 129 119.298 0.463 -4.173 995 2HG1 ILE 129 HG11 ILE 129 118.098 -0.831 -4.176 996 1HG2 ILE 129 HG23 ILE 129 118.471 2.763 -4.298 997 2HG2 ILE 129 HG22 ILE 129 118.760 2.333 -5.984 998 3HG2 ILE 129 HG21 ILE 129 117.245 3.105 -5.518 999 1HD1 ILE 129 HD13 ILE 129 119.160 0.351 -6.745 1000 2HD1 ILE 129 HD12 ILE 129 119.974 -0.986 -5.931 1001 3HD1 ILE 129 HD11 ILE 129 118.320 -1.182 -6.513 1002 HA PRO 130 HA PRO 130 113.667 -2.008 -3.429 1003 1HB PRO 130 HB2 PRO 130 112.407 -2.105 -5.928 1004 2HB PRO 130 HB1 PRO 130 111.806 -1.258 -4.495 1005 1HG PRO 130 HG2 PRO 130 112.763 -0.126 -6.942 1006 2HG PRO 130 HG1 PRO 130 112.151 0.715 -5.510 1007 1HD PRO 130 HD2 PRO 130 114.918 0.344 -6.388 1008 2HD PRO 130 HD1 PRO 130 114.267 1.461 -5.177 1009 H LEU 131 HN LEU 131 115.142 -3.703 -3.442 1010 HA LEU 131 HA LEU 131 116.167 -4.644 -6.080 1011 1HB LEU 131 HB2 LEU 131 117.046 -5.307 -3.253 1012 2HB LEU 131 HB1 LEU 131 117.770 -5.976 -4.716 1013 HG LEU 131 HG LEU 131 117.534 -3.000 -4.457 1014 1HD1 LEU 131 HD13 LEU 131 119.617 -4.743 -3.110 1015 2HD1 LEU 131 HD12 LEU 131 119.802 -3.008 -3.368 1016 3HD1 LEU 131 HD11 LEU 131 118.515 -3.613 -2.325 1017 1HD2 LEU 131 HD22 LEU 131 118.318 -4.135 -6.550 1018 2HD2 LEU 131 HD21 LEU 131 119.537 -3.072 -5.847 1019 3HD2 LEU 131 HD23 LEU 131 119.661 -4.818 -5.633 1020 H ASN 132 HN ASN 132 116.046 -6.950 -6.546 1021 HA ASN 132 HA ASN 132 113.502 -8.116 -5.706 1022 1HB ASN 132 HB2 ASN 132 114.774 -8.280 -8.021 1023 2HB ASN 132 HB1 ASN 132 115.566 -9.654 -7.248 1024 1HD2 ASN 132 HD22 ASN 132 111.716 -9.991 -8.476 1025 2HD2 ASN 132 HD21 ASN 132 112.595 -8.558 -8.709 1026 H TRP 133 HN TRP 133 113.232 -9.523 -4.046 1027 HA TRP 133 HA TRP 133 115.674 -10.622 -2.733 1028 1HB TRP 133 HB2 TRP 133 112.847 -10.291 -1.682 1029 2HB TRP 133 HB1 TRP 133 114.202 -10.947 -0.763 1030 HD1 TRP 133 HD1 TRP 133 112.641 -7.726 -1.871 1031 HE1 TRP 133 HE1 TRP 133 114.020 -5.737 -0.983 1032 HE3 TRP 133 HE3 TRP 133 116.773 -10.202 -0.176 1033 HZ2 TRP 133 HZ2 TRP 133 116.543 -5.260 0.279 1034 HZ3 TRP 133 HZ3 TRP 133 118.646 -8.958 0.863 1035 HH2 TRP 133 HH2 TRP 133 118.537 -6.492 1.093 1036 H ASP 134 HN ASP 134 112.691 -11.515 -4.337 1037 HA ASP 134 HA ASP 134 112.480 -14.223 -3.485 1038 1HB ASP 134 HB2 ASP 134 111.659 -12.779 -6.004 1039 2HB ASP 134 HB1 ASP 134 111.387 -14.512 -5.814 1040 H ASP 135 HN ASP 135 114.640 -12.680 -5.774 1041 HA ASP 135 HA ASP 135 115.614 -15.323 -6.723 1042 1HB ASP 135 HB2 ASP 135 115.161 -13.246 -8.243 1043 2HB ASP 135 HB1 ASP 135 116.704 -12.663 -7.620 1044 H PHE 136 HN PHE 136 116.087 -14.509 -3.974 1045 HA PHE 136 HA PHE 136 119.021 -14.778 -3.960 1046 1HB PHE 136 HB2 PHE 136 117.558 -12.385 -2.842 1047 2HB PHE 136 HB1 PHE 136 119.124 -12.886 -2.204 1048 HD1 PHE 136 HD1 PHE 136 121.148 -12.793 -3.598 1049 HD2 PHE 136 HD2 PHE 136 117.340 -11.482 -5.093 1050 HE1 PHE 136 HE1 PHE 136 122.281 -11.658 -5.488 1051 HE2 PHE 136 HE2 PHE 136 118.474 -10.348 -6.984 1052 HZ PHE 136 HZ PHE 136 120.945 -10.435 -7.181 1053 H THR 137 HN THR 137 119.773 -15.707 -2.006 1054 HA THR 137 HA THR 137 117.676 -16.380 0.013 1055 HB THR 137 HB THR 137 119.793 -18.289 -1.028 1056 HG1 THR 137 HG1 THR 137 118.018 -17.776 -2.477 1057 1HG2 THR 137 HG22 THR 137 117.571 -18.501 1.006 1058 2HG2 THR 137 HG21 THR 137 118.260 -19.927 0.230 1059 3HG2 THR 137 HG23 THR 137 119.282 -18.878 1.213 1060 H LYS 138 HN LYS 138 118.449 -16.524 2.158 1061 HA LYS 138 HA LYS 138 121.028 -15.158 2.617 1062 1HB LYS 138 HB2 LYS 138 118.731 -14.737 3.839 1063 2HB LYS 138 HB1 LYS 138 119.229 -16.114 4.822 1064 1HG LYS 138 HG2 LYS 138 121.112 -15.005 5.660 1065 2HG LYS 138 HG1 LYS 138 121.155 -13.861 4.317 1066 1HD LYS 138 HD2 LYS 138 120.319 -12.612 6.162 1067 2HD LYS 138 HD1 LYS 138 118.900 -12.998 5.188 1068 1HE LYS 138 HE2 LYS 138 118.790 -15.138 6.719 1069 2HE LYS 138 HE1 LYS 138 119.761 -14.161 7.818 1070 1HZ LYS 138 HZ2 LYS 138 118.020 -12.377 7.442 1071 2HZ LYS 138 HZ1 LYS 138 117.052 -13.603 6.778 1072 3HZ LYS 138 HZ3 LYS 138 117.561 -13.708 8.392 1073 H VAL 139 HN VAL 139 122.760 -16.107 3.731 1074 HA VAL 139 HA VAL 139 122.517 -19.041 4.264 1075 HB VAL 139 HB VAL 139 124.915 -19.223 3.558 1076 1HG1 VAL 139 HG11 VAL 139 122.836 -18.212 1.610 1077 2HG1 VAL 139 HG13 VAL 139 124.409 -18.807 1.079 1078 3HG1 VAL 139 HG12 VAL 139 123.303 -19.882 1.935 1079 1HG2 VAL 139 HG21 VAL 139 124.439 -16.351 2.697 1080 2HG2 VAL 139 HG23 VAL 139 125.603 -16.905 3.899 1081 3HG2 VAL 139 HG22 VAL 139 125.823 -17.324 2.201 1082 H SER 140 HN SER 140 124.201 -16.016 5.092 1083 HA SER 140 HA SER 140 124.689 -17.166 7.809 1084 1HB SER 140 HB2 SER 140 126.521 -15.238 6.357 1085 2HB SER 140 HB1 SER 140 126.816 -16.010 7.913 1086 HG SER 140 HG SER 140 127.871 -17.222 6.402 1087 H SER 141 HN SER 141 124.410 -15.701 9.540 1088 HA SER 141 HA SER 141 123.711 -12.896 8.972 1089 1HB SER 141 HB2 SER 141 121.602 -14.366 8.700 1090 2HB SER 141 HB1 SER 141 121.696 -14.599 10.443 1091 HG SER 141 HG SER 141 120.469 -12.815 10.197 1092 H ARG 142 HN ARG 142 125.228 -12.112 10.399 1093 HA ARG 142 HA ARG 142 125.509 -13.322 13.077 1094 1HB ARG 142 HB2 ARG 142 127.375 -12.278 11.481 1095 2HB ARG 142 HB1 ARG 142 126.908 -10.793 12.310 1096 1HG ARG 142 HG2 ARG 142 128.562 -11.590 13.739 1097 2HG ARG 142 HG1 ARG 142 127.119 -12.293 14.472 1098 1HD ARG 142 HD2 ARG 142 127.579 -14.428 13.660 1099 2HD ARG 142 HD1 ARG 142 128.565 -13.819 12.331 1100 HE ARG 142 HE ARG 142 129.755 -13.213 14.901 1101 1HH1 ARG 142 HH11 ARG 142 129.318 -15.734 12.516 1102 2HH1 ARG 142 HH12 ARG 142 130.758 -16.567 12.986 1103 1HH2 ARG 142 HH21 ARG 142 131.610 -14.324 15.477 1104 2HH2 ARG 142 HH22 ARG 142 132.044 -15.779 14.644 1105 H THR 143 HN THR 143 124.331 -12.607 14.774 1106 HA THR 143 HA THR 143 122.937 -9.986 14.533 1107 HB THR 143 HB THR 143 122.464 -12.099 16.642 1108 HG1 THR 143 HG1 THR 143 120.845 -12.869 15.252 1109 1HG2 THR 143 HG22 THR 143 121.529 -9.828 16.999 1110 2HG2 THR 143 HG21 THR 143 120.694 -9.947 15.450 1111 3HG2 THR 143 HG23 THR 143 120.264 -11.034 16.771 1112 H VAL 144 HN VAL 144 123.770 -8.293 15.639 1113 HA VAL 144 HA VAL 144 125.416 -8.868 18.072 1114 HB VAL 144 HB VAL 144 125.820 -6.589 16.112 1115 1HG1 VAL 144 HG13 VAL 144 126.524 -6.217 18.491 1116 2HG1 VAL 144 HG12 VAL 144 127.579 -7.623 18.355 1117 3HG1 VAL 144 HG11 VAL 144 127.873 -6.201 17.354 1118 1HG2 VAL 144 HG22 VAL 144 126.990 -9.346 16.306 1119 2HG2 VAL 144 HG21 VAL 144 126.561 -8.415 14.871 1120 3HG2 VAL 144 HG23 VAL 144 128.023 -8.019 15.774 1121 H GLU 145 HN GLU 145 124.527 -7.999 19.874 1122 HA GLU 145 HA GLU 145 122.467 -5.876 19.566 1123 1HB GLU 145 HB2 GLU 145 123.203 -7.628 21.931 1124 2HB GLU 145 HB1 GLU 145 121.913 -6.426 21.933 1125 1HG GLU 145 HG2 GLU 145 120.662 -7.615 20.289 1126 2HG GLU 145 HG1 GLU 145 122.030 -8.659 19.899 1127 H ASP 146 HN ASP 146 122.808 -3.822 20.323 1128 HA ASP 146 HA ASP 146 125.509 -3.192 21.358 1129 1HB ASP 146 HB2 ASP 146 124.011 -1.920 19.507 1130 2HB ASP 146 HB1 ASP 146 123.492 -1.043 20.949 1131 H THR 147 HN THR 147 125.214 -1.085 22.969 1132 HA THR 147 HA THR 147 124.318 -2.186 25.450 1133 HB THR 147 HB THR 147 124.527 0.245 26.239 1134 HG1 THR 147 HG1 THR 147 124.512 1.622 24.673 1135 1HG2 THR 147 HG21 THR 147 126.787 -1.159 24.797 1136 2HG2 THR 147 HG23 THR 147 127.024 0.241 25.844 1137 3HG2 THR 147 HG22 THR 147 126.383 -1.261 26.511 1138 H ASN 148 HN ASN 148 122.743 -0.134 23.058 1139 HA ASN 148 HA ASN 148 120.307 -0.035 24.782 1140 1HB ASN 148 HB2 ASN 148 121.188 1.629 22.409 1141 2HB ASN 148 HB1 ASN 148 119.567 1.721 23.100 1142 1HD2 ASN 148 HD21 ASN 148 122.896 2.678 23.548 1143 2HD2 ASN 148 HD22 ASN 148 122.665 3.530 24.999 1144 HA PRO 149 HA PRO 149 118.100 -2.677 21.964 1145 1HB PRO 149 HB2 PRO 149 115.574 -1.482 22.118 1146 2HB PRO 149 HB1 PRO 149 116.225 -2.677 23.246 1147 1HG PRO 149 HG2 PRO 149 115.672 0.093 23.723 1148 2HG PRO 149 HG1 PRO 149 116.283 -1.118 24.860 1149 1HD PRO 149 HD2 PRO 149 117.739 0.999 23.473 1150 2HD PRO 149 HD1 PRO 149 118.259 -0.011 24.832 1151 H ALA 150 HN ALA 150 117.656 0.801 21.472 1152 HA ALA 150 HA ALA 150 116.613 0.532 18.771 1153 1HB ALA 150 HB1 ALA 150 117.661 2.835 20.415 1154 2HB ALA 150 HB3 ALA 150 117.268 3.039 18.706 1155 3HB ALA 150 HB2 ALA 150 116.015 2.549 19.847 1156 H LEU 151 HN LEU 151 119.797 0.764 20.222 1157 HA LEU 151 HA LEU 151 121.110 1.299 17.643 1158 1HB LEU 151 HB2 LEU 151 122.108 0.825 20.453 1159 2HB LEU 151 HB1 LEU 151 123.209 0.923 19.078 1160 HG LEU 151 HG LEU 151 121.147 3.068 19.566 1161 1HD1 LEU 151 HD13 LEU 151 123.800 2.637 20.916 1162 2HD1 LEU 151 HD12 LEU 151 123.238 4.277 20.593 1163 3HD1 LEU 151 HD11 LEU 151 122.280 3.202 21.609 1164 1HD2 LEU 151 HD21 LEU 151 122.532 2.755 17.395 1165 2HD2 LEU 151 HD23 LEU 151 122.510 4.360 18.126 1166 3HD2 LEU 151 HD22 LEU 151 123.903 3.303 18.356 1167 H THR 152 HN THR 152 119.639 -1.405 18.681 1168 HA THR 152 HA THR 152 121.705 -3.409 18.414 1169 HB THR 152 HB THR 152 118.777 -3.871 17.843 1170 HG1 THR 152 HG1 THR 152 118.350 -3.753 19.946 1171 1HG2 THR 152 HG21 THR 152 120.836 -5.591 17.789 1172 2HG2 THR 152 HG23 THR 152 120.484 -5.647 19.517 1173 3HG2 THR 152 HG22 THR 152 119.232 -6.066 18.347 1174 H HIS 153 HN HIS 153 122.222 -4.662 16.575 1175 HA HIS 153 HA HIS 153 120.892 -4.022 14.010 1176 1HB HIS 153 HB2 HIS 153 123.108 -3.601 12.917 1177 2HB HIS 153 HB1 HIS 153 122.663 -2.361 14.086 1178 HD1 HIS 153 HD1 HIS 153 123.794 -2.622 16.530 1179 HD2 HIS 153 HD2 HIS 153 125.511 -4.892 13.484 1180 HE1 HIS 153 HE1 HIS 153 126.064 -3.359 17.377 1181 H THR 154 HN THR 154 121.339 -5.613 12.366 1182 HA THR 154 HA THR 154 122.743 -8.064 13.343 1183 HB THR 154 HB THR 154 120.180 -8.112 11.732 1184 HG1 THR 154 HG1 THR 154 119.157 -8.544 13.684 1185 1HG2 THR 154 HG22 THR 154 121.973 -10.056 11.935 1186 2HG2 THR 154 HG21 THR 154 121.189 -10.310 13.495 1187 3HG2 THR 154 HG23 THR 154 120.247 -10.410 12.007 1188 H TYR 155 HN TYR 155 124.357 -8.531 11.946 1189 HA TYR 155 HA TYR 155 124.476 -7.316 9.299 1190 1HB TYR 155 HB2 TYR 155 126.239 -9.438 10.564 1191 2HB TYR 155 HB1 TYR 155 126.611 -8.532 9.097 1192 HD1 TYR 155 HD1 TYR 155 126.554 -5.919 9.308 1193 HD2 TYR 155 HD2 TYR 155 126.932 -8.603 12.640 1194 HE1 TYR 155 HE1 TYR 155 127.501 -4.083 10.680 1195 HE2 TYR 155 HE2 TYR 155 127.879 -6.768 14.011 1196 HH TYR 155 HH TYR 155 127.666 -3.547 13.169 1197 H GLU 156 HN GLU 156 122.959 -8.133 7.888 1198 HA GLU 156 HA GLU 156 122.514 -11.056 7.753 1199 1HB GLU 156 HB2 GLU 156 121.197 -8.692 6.394 1200 2HB GLU 156 HB1 GLU 156 120.802 -10.366 6.002 1201 1HG GLU 156 HG2 GLU 156 120.503 -10.607 8.604 1202 2HG GLU 156 HG1 GLU 156 120.308 -8.854 8.548 1203 H VAL 157 HN VAL 157 123.502 -12.311 6.244 1204 HA VAL 157 HA VAL 157 125.001 -10.928 4.058 1205 HB VAL 157 HB VAL 157 125.443 -13.717 5.166 1206 1HG1 VAL 157 HG12 VAL 157 126.785 -11.983 3.112 1207 2HG1 VAL 157 HG11 VAL 157 127.751 -13.134 4.036 1208 3HG1 VAL 157 HG13 VAL 157 126.410 -13.706 3.043 1209 1HG2 VAL 157 HG21 VAL 157 126.504 -11.023 5.947 1210 2HG2 VAL 157 HG23 VAL 157 126.115 -12.410 6.966 1211 3HG2 VAL 157 HG22 VAL 157 127.596 -12.407 6.010 1212 H TRP 158 HN TRP 158 123.446 -10.882 2.426 1213 HA TRP 158 HA TRP 158 121.949 -13.351 1.784 1214 1HB TRP 158 HB2 TRP 158 121.895 -10.556 0.612 1215 2HB TRP 158 HB1 TRP 158 120.898 -11.885 0.022 1216 HD1 TRP 158 HD1 TRP 158 121.544 -9.899 3.266 1217 HE1 TRP 158 HE1 TRP 158 119.380 -9.923 4.670 1218 HE3 TRP 158 HE3 TRP 158 118.655 -12.973 0.385 1219 HZ2 TRP 158 HZ2 TRP 158 116.770 -11.089 4.582 1220 HZ3 TRP 158 HZ3 TRP 158 116.336 -13.522 1.068 1221 HH2 TRP 158 HH2 TRP 158 115.392 -12.586 3.161 1222 H GLN 159 HN GLN 159 122.188 -14.457 -0.210 1223 HA GLN 159 HA GLN 159 124.484 -13.636 -1.926 1224 1HB GLN 159 HB2 GLN 159 124.064 -16.288 -0.555 1225 2HB GLN 159 HB1 GLN 159 124.991 -16.183 -2.051 1226 1HG GLN 159 HG2 GLN 159 126.297 -14.284 -0.865 1227 2HG GLN 159 HG1 GLN 159 125.588 -14.919 0.621 1228 1HE2 GLN 159 HE22 GLN 159 128.847 -16.700 -0.691 1229 2HE2 GLN 159 HE21 GLN 159 128.403 -15.091 -0.992 1230 H LYS 160 HN LYS 160 124.368 -14.560 -4.096 1231 HA LYS 160 HA LYS 160 121.689 -14.621 -5.151 1232 1HB LYS 160 HB2 LYS 160 123.827 -13.930 -6.377 1233 2HB LYS 160 HB1 LYS 160 124.161 -15.652 -6.556 1234 1HG LYS 160 HG2 LYS 160 123.008 -15.114 -8.540 1235 2HG LYS 160 HG1 LYS 160 121.752 -15.802 -7.510 1236 1HD LYS 160 HD2 LYS 160 120.782 -13.727 -7.074 1237 2HD LYS 160 HD1 LYS 160 122.269 -12.846 -7.425 1238 1HE LYS 160 HE2 LYS 160 122.035 -13.441 -9.824 1239 2HE LYS 160 HE1 LYS 160 120.517 -14.261 -9.457 1240 1HZ LYS 160 HZ3 LYS 160 121.064 -11.392 -8.925 1241 2HZ LYS 160 HZ2 LYS 160 120.198 -11.981 -10.262 1242 3HZ LYS 160 HZ1 LYS 160 119.589 -12.197 -8.689 1243 H LYS 161 HN LYS 161 120.502 -16.397 -5.950 1244 HA LYS 161 HA LYS 161 121.403 -19.047 -4.912 1245 1HB LYS 161 HB2 LYS 161 119.029 -19.684 -4.896 1246 2HB LYS 161 HB1 LYS 161 119.275 -18.213 -3.959 1247 1HG LYS 161 HG2 LYS 161 118.612 -16.896 -6.017 1248 2HG LYS 161 HG1 LYS 161 118.170 -18.425 -6.773 1249 1HD LYS 161 HD2 LYS 161 117.025 -17.384 -4.164 1250 2HD LYS 161 HD1 LYS 161 116.216 -17.296 -5.726 1251 1HE LYS 161 HE2 LYS 161 116.958 -19.977 -5.524 1252 2HE LYS 161 HE1 LYS 161 116.451 -19.555 -3.888 1253 1HZ LYS 161 HZ3 LYS 161 114.459 -18.483 -5.038 1254 2HZ LYS 161 HZ2 LYS 161 114.904 -19.401 -6.396 1255 3HZ LYS 161 HZ1 LYS 161 114.496 -20.175 -4.940 1256 H ALA 162 HN ALA 162 119.945 -17.431 -7.719 1257 HA ALA 162 HA ALA 162 121.080 -19.557 -9.448 1258 1HB ALA 162 HB1 ALA 162 118.684 -20.157 -8.891 1259 2HB ALA 162 HB3 ALA 162 118.194 -18.672 -9.706 1260 3HB ALA 162 HB2 ALA 162 119.004 -19.948 -10.613 1261 1HN2 MTX 170 1HN2 MTX 170 128.397 -1.360 8.115 1262 2HN2 MTX 170 2HN2 MTX 170 128.249 -1.881 6.506 1263 1HN4 MTX 170 1HN4 MTX 170 128.449 1.179 2.915 1264 2HN4 MTX 170 2HN4 MTX 170 128.673 2.834 3.219 1265 H7 MTX 170 H7 MTX 170 129.282 5.543 8.417 1266 1H9 MTX 170 H91 MTX 170 128.288 6.878 5.620 1267 2H9 MTX 170 H92 MTX 170 129.866 6.470 4.934 1268 1HM MTX 170 HM1 MTX 170 128.916 8.479 8.226 1269 2HM MTX 170 HM2 MTX 170 128.395 8.737 6.534 1270 3HM MTX 170 HM3 MTX 170 129.960 9.395 7.099 1271 H12 MTX 170 H13 MTX 170 133.060 7.426 10.190 1272 H13 MTX 170 H12 MTX 170 130.829 8.015 9.239 1273 H15 MTX 170 H16 MTX 170 131.841 5.907 5.585 1274 H16 MTX 170 H15 MTX 170 134.071 5.325 6.546 1275 HN MTX 170 HN MTX 170 134.784 4.047 8.387 1276 HA MTX 170 HA MTX 170 137.383 5.056 9.170 1277 1HB MTX 170 HB1 MTX 170 136.974 3.038 11.145 1278 2HB MTX 170 HB2 MTX 170 135.512 4.010 11.190 1279 1HG MTX 170 HG1 MTX 170 137.060 6.093 11.257 1280 2HG MTX 170 HG2 MTX 170 138.399 4.980 11.518 1281 HN1 MTX 170 H1N MTX 170 128.704 0.886 8.608 No H/Q in entry = 1281 Start of MODEL 4 1 1H THR 1 HT1 THR 1 131.871 -8.898 -6.827 2 2H THR 1 HT3 THR 1 132.584 -7.756 -7.857 3 3H THR 1 HT2 THR 1 132.888 -7.697 -6.187 4 HA THR 1 HA THR 1 131.340 -5.992 -6.609 5 HB THR 1 HB THR 1 129.168 -6.576 -7.765 6 HG1 THR 1 HG1 THR 1 130.646 -8.893 -8.462 7 1HG2 THR 1 HG23 THR 1 131.248 -5.527 -8.854 8 2HG2 THR 1 HG22 THR 1 131.549 -7.125 -9.537 9 3HG2 THR 1 HG21 THR 1 130.065 -6.260 -9.937 10 H ALA 2 HN ALA 2 130.588 -5.712 -4.575 11 HA ALA 2 HA ALA 2 128.656 -7.683 -3.478 12 1HB ALA 2 HB2 ALA 2 131.197 -6.792 -2.082 13 2HB ALA 2 HB1 ALA 2 129.866 -7.619 -1.272 14 3HB ALA 2 HB3 ALA 2 130.766 -8.437 -2.549 15 H PHE 3 HN PHE 3 126.915 -6.458 -2.995 16 HA PHE 3 HA PHE 3 127.071 -3.593 -2.585 17 1HB PHE 3 HB2 PHE 3 124.920 -5.670 -2.549 18 2HB PHE 3 HB1 PHE 3 124.594 -4.136 -1.746 19 HD1 PHE 3 HD1 PHE 3 126.528 -4.993 -4.853 20 HD2 PHE 3 HD2 PHE 3 123.248 -2.824 -3.121 21 HE1 PHE 3 HE1 PHE 3 126.069 -3.931 -7.047 22 HE2 PHE 3 HE2 PHE 3 122.792 -1.763 -5.314 23 HZ PHE 3 HZ PHE 3 124.202 -2.317 -7.278 24 H LEU 4 HN LEU 4 126.994 -2.452 -0.646 25 HA LEU 4 HA LEU 4 126.636 -3.931 1.894 26 1HB LEU 4 HB2 LEU 4 129.076 -4.044 1.358 27 2HB LEU 4 HB1 LEU 4 129.119 -2.282 1.324 28 HG LEU 4 HG LEU 4 128.036 -2.497 3.714 29 1HD1 LEU 4 HD11 LEU 4 129.132 -5.232 3.132 30 2HD1 LEU 4 HD13 LEU 4 129.204 -4.598 4.776 31 3HD1 LEU 4 HD12 LEU 4 127.646 -4.785 3.970 32 1HD2 LEU 4 HD23 LEU 4 130.940 -3.083 3.069 33 2HD2 LEU 4 HD22 LEU 4 130.215 -1.501 3.358 34 3HD2 LEU 4 HD21 LEU 4 130.361 -2.659 4.680 35 H TRP 5 HN TRP 5 125.064 -2.707 2.839 36 HA TRP 5 HA TRP 5 125.580 0.165 3.238 37 1HB TRP 5 HB2 TRP 5 123.471 0.918 2.306 38 2HB TRP 5 HB1 TRP 5 124.336 0.017 1.067 39 HD1 TRP 5 HD1 TRP 5 121.070 0.240 2.709 40 HE1 TRP 5 HE1 TRP 5 119.605 -1.805 2.154 41 HE3 TRP 5 HE3 TRP 5 124.597 -2.857 0.684 42 HZ2 TRP 5 HZ2 TRP 5 119.887 -4.405 1.007 43 HZ3 TRP 5 HZ3 TRP 5 123.967 -5.111 -0.126 44 HH2 TRP 5 HH2 TRP 5 121.619 -5.888 0.031 45 H ALA 6 HN ALA 6 124.273 1.065 4.959 46 HA ALA 6 HA ALA 6 123.145 -1.046 6.746 47 1HB ALA 6 HB2 ALA 6 124.539 1.565 7.231 48 2HB ALA 6 HB1 ALA 6 123.400 0.970 8.438 49 3HB ALA 6 HB3 ALA 6 124.804 -0.001 7.998 50 H GLN 7 HN GLN 7 120.975 -1.030 7.081 51 HA GLN 7 HA GLN 7 119.491 1.529 6.746 52 1HB GLN 7 HB2 GLN 7 117.704 0.277 5.508 53 2HB GLN 7 HB1 GLN 7 119.223 0.387 4.618 54 1HG GLN 7 HG2 GLN 7 119.736 -1.857 4.943 55 2HG GLN 7 HG1 GLN 7 118.765 -1.972 6.411 56 1HE2 GLN 7 HE22 GLN 7 115.772 -2.782 4.691 57 2HE2 GLN 7 HE21 GLN 7 116.470 -2.368 6.182 58 H ASP 8 HN ASP 8 117.198 1.272 7.623 59 HA ASP 8 HA ASP 8 117.244 -0.557 9.990 60 1HB ASP 8 HB2 ASP 8 115.676 1.142 11.023 61 2HB ASP 8 HB1 ASP 8 117.311 1.737 10.736 62 H ARG 9 HN ARG 9 114.680 -0.570 10.778 63 HA ARG 9 HA ARG 9 113.365 -2.284 8.915 64 1HB ARG 9 HB2 ARG 9 111.369 -1.973 10.408 65 2HB ARG 9 HB1 ARG 9 112.837 -2.412 11.280 66 1HG ARG 9 HG2 ARG 9 113.181 -0.183 12.039 67 2HG ARG 9 HG1 ARG 9 112.006 0.467 10.895 68 1HD ARG 9 HD2 ARG 9 111.133 -1.553 12.940 69 2HD ARG 9 HD1 ARG 9 111.301 0.141 13.397 70 HE ARG 9 HE ARG 9 109.767 -0.048 10.984 71 1HH1 ARG 9 HH11 ARG 9 109.555 -0.672 14.419 72 2HH1 ARG 9 HH12 ARG 9 107.842 -0.443 14.457 73 1HH2 ARG 9 HH21 ARG 9 107.550 0.240 11.078 74 2HH2 ARG 9 HH22 ARG 9 106.717 0.067 12.587 75 H ASP 10 HN ASP 10 113.280 1.195 9.354 76 HA ASP 10 HA ASP 10 110.869 1.663 7.831 77 1HB ASP 10 HB2 ASP 10 113.132 3.332 8.849 78 2HB ASP 10 HB1 ASP 10 112.122 4.001 7.567 79 H GLY 11 HN GLY 11 114.336 1.650 7.016 80 1HA GLY 11 HA2 GLY 11 114.979 0.726 4.801 81 2HA GLY 11 HA1 GLY 11 113.543 1.506 4.135 82 H LEU 12 HN LEU 12 115.647 3.062 6.484 83 HA LEU 12 HA LEU 12 116.253 5.151 4.455 84 1HB LEU 12 HB2 LEU 12 115.280 5.637 6.811 85 2HB LEU 12 HB1 LEU 12 116.913 5.312 7.393 86 HG LEU 12 HG LEU 12 117.627 6.985 5.502 87 1HD1 LEU 12 HD12 LEU 12 115.099 6.996 4.774 88 2HD1 LEU 12 HD11 LEU 12 114.925 8.162 6.085 89 3HD1 LEU 12 HD13 LEU 12 116.019 8.500 4.744 90 1HD2 LEU 12 HD23 LEU 12 117.623 7.230 8.094 91 2HD2 LEU 12 HD22 LEU 12 117.708 8.699 7.120 92 3HD2 LEU 12 HD21 LEU 12 116.177 8.209 7.846 93 H ILE 13 HN ILE 13 118.430 5.821 4.081 94 HA ILE 13 HA ILE 13 120.571 4.125 5.266 95 HB ILE 13 HB ILE 13 121.587 3.879 2.986 96 1HG1 ILE 13 HG12 ILE 13 118.870 4.744 1.965 97 2HG1 ILE 13 HG11 ILE 13 120.238 5.854 2.064 98 1HG2 ILE 13 HG23 ILE 13 120.127 2.126 4.078 99 2HG2 ILE 13 HG22 ILE 13 118.775 2.761 3.140 100 3HG2 ILE 13 HG21 ILE 13 120.163 2.051 2.317 101 1HD1 ILE 13 HD12 ILE 13 120.480 3.192 0.663 102 2HD1 ILE 13 HD11 ILE 13 119.873 4.619 -0.177 103 3HD1 ILE 13 HD13 ILE 13 121.504 4.618 0.493 104 H GLY 14 HN GLY 14 119.736 6.947 5.625 105 1HA GLY 14 HA2 GLY 14 121.993 8.340 6.053 106 2HA GLY 14 HA1 GLY 14 121.883 8.487 4.299 107 H LYS 15 HN LYS 15 121.769 10.787 5.797 108 HA LYS 15 HA LYS 15 119.109 11.799 5.099 109 1HB LYS 15 HB2 LYS 15 118.799 10.854 7.401 110 2HB LYS 15 HB1 LYS 15 120.042 11.963 7.979 111 1HG LYS 15 HG2 LYS 15 118.701 13.881 7.193 112 2HG LYS 15 HG1 LYS 15 117.452 12.772 6.624 113 1HD LYS 15 HD2 LYS 15 116.678 12.350 8.732 114 2HD LYS 15 HD1 LYS 15 118.287 12.415 9.448 115 1HE LYS 15 HE2 LYS 15 116.929 14.309 10.229 116 2HE LYS 15 HE1 LYS 15 118.270 14.884 9.238 117 1HZ LYS 15 HZ3 LYS 15 116.738 14.933 7.333 118 2HZ LYS 15 HZ2 LYS 15 115.458 14.500 8.364 119 3HZ LYS 15 HZ1 LYS 15 116.261 15.983 8.576 120 H ASP 16 HN ASP 16 119.584 13.681 4.103 121 HA ASP 16 HA ASP 16 120.634 15.707 3.576 122 1HB ASP 16 HB2 ASP 16 120.924 15.543 6.565 123 2HB ASP 16 HB1 ASP 16 121.669 16.871 5.675 124 H GLY 17 HN GLY 17 122.190 13.124 3.521 125 1HA GLY 17 HA2 GLY 17 124.392 12.840 2.587 126 2HA GLY 17 HA1 GLY 17 124.867 14.380 3.301 127 H HIS 18 HN HIS 18 124.044 13.985 5.950 128 HA HIS 18 HA HIS 18 126.106 12.066 6.847 129 1HB HIS 18 HB2 HIS 18 125.642 13.059 9.104 130 2HB HIS 18 HB1 HIS 18 126.130 14.255 7.904 131 HD1 HIS 18 HD1 HIS 18 122.994 12.892 9.562 132 HD2 HIS 18 HD2 HIS 18 124.244 16.258 7.444 133 HE1 HIS 18 HE1 HIS 18 121.081 14.548 9.655 134 H LEU 19 HN LEU 19 125.564 10.569 8.666 135 HA LEU 19 HA LEU 19 123.109 9.108 8.064 136 1HB LEU 19 HB2 LEU 19 125.452 8.692 9.903 137 2HB LEU 19 HB1 LEU 19 123.993 7.722 10.110 138 HG LEU 19 HG LEU 19 125.318 8.016 7.414 139 1HD1 LEU 19 HD13 LEU 19 126.878 7.102 9.251 140 2HD1 LEU 19 HD12 LEU 19 125.791 5.713 9.311 141 3HD1 LEU 19 HD11 LEU 19 126.653 6.096 7.820 142 1HD2 LEU 19 HD21 LEU 19 123.388 6.062 8.692 143 2HD2 LEU 19 HD23 LEU 19 123.083 7.133 7.325 144 3HD2 LEU 19 HD22 LEU 19 124.173 5.758 7.143 145 HA PRO 20 HA PRO 20 120.611 10.891 11.302 146 1HB PRO 20 HB2 PRO 20 118.815 8.772 11.565 147 2HB PRO 20 HB1 PRO 20 118.704 10.074 10.373 148 1HG PRO 20 HG2 PRO 20 119.275 7.292 9.931 149 2HG PRO 20 HG1 PRO 20 119.071 8.581 8.737 150 1HD PRO 20 HD2 PRO 20 121.532 7.351 9.695 151 2HD PRO 20 HD1 PRO 20 121.288 8.442 8.321 152 H TRP 21 HN TRP 21 121.796 7.580 11.691 153 HA TRP 21 HA TRP 21 121.645 7.935 14.657 154 1HB TRP 21 HB2 TRP 21 121.800 5.433 14.743 155 2HB TRP 21 HB1 TRP 21 120.354 6.011 13.918 156 HD1 TRP 21 HD1 TRP 21 123.900 4.732 13.088 157 HE1 TRP 21 HE1 TRP 21 123.825 3.587 10.779 158 HE3 TRP 21 HE3 TRP 21 119.055 5.684 11.787 159 HZ2 TRP 21 HZ2 TRP 21 121.956 3.134 8.661 160 HZ3 TRP 21 HZ3 TRP 21 118.154 4.885 9.621 161 HH2 TRP 21 HH2 TRP 21 119.598 3.613 8.058 162 H HIS 22 HN HIS 22 123.470 6.358 15.664 163 HA HIS 22 HA HIS 22 126.019 6.833 14.183 164 1HB HIS 22 HB2 HIS 22 125.613 8.549 16.008 165 2HB HIS 22 HB1 HIS 22 125.688 7.222 17.169 166 HD1 HIS 22 HD1 HIS 22 127.839 8.531 14.290 167 HD2 HIS 22 HD2 HIS 22 128.260 6.792 18.055 168 HE1 HIS 22 HE1 HIS 22 130.327 8.416 14.751 169 H LEU 23 HN LEU 23 126.414 4.691 13.668 170 HA LEU 23 HA LEU 23 126.428 2.732 15.927 171 1HB LEU 23 HB2 LEU 23 125.025 2.484 13.641 172 2HB LEU 23 HB1 LEU 23 126.553 1.780 13.111 173 HG LEU 23 HG LEU 23 126.503 0.288 15.123 174 1HD1 LEU 23 HD11 LEU 23 123.966 1.824 15.550 175 2HD1 LEU 23 HD13 LEU 23 124.020 0.133 16.044 176 3HD1 LEU 23 HD12 LEU 23 125.161 1.289 16.731 177 1HD2 LEU 23 HD23 LEU 23 124.519 0.251 12.909 178 2HD2 LEU 23 HD22 LEU 23 125.726 -0.954 13.358 179 3HD2 LEU 23 HD21 LEU 23 124.206 -0.857 14.245 180 HA PRO 24 HA PRO 24 130.901 3.225 15.036 181 1HB PRO 24 HB2 PRO 24 131.567 2.284 17.617 182 2HB PRO 24 HB1 PRO 24 131.516 3.968 17.082 183 1HG PRO 24 HG2 PRO 24 129.772 2.660 18.916 184 2HG PRO 24 HG1 PRO 24 129.704 4.335 18.349 185 1HD PRO 24 HD2 PRO 24 128.033 2.073 17.581 186 2HD PRO 24 HD1 PRO 24 127.798 3.797 17.258 187 H ASP 25 HN ASP 25 129.124 0.517 16.405 188 HA ASP 25 HA ASP 25 131.208 -1.454 16.151 189 1HB ASP 25 HB2 ASP 25 129.083 -1.707 17.506 190 2HB ASP 25 HB1 ASP 25 128.221 -1.934 15.984 191 H ASP 26 HN ASP 26 128.809 -0.141 13.934 192 HA ASP 26 HA ASP 26 129.155 -2.141 11.874 193 1HB ASP 26 HB2 ASP 26 127.190 -0.573 12.057 194 2HB ASP 26 HB1 ASP 26 128.253 0.734 11.536 195 H LEU 27 HN LEU 27 130.835 0.819 12.741 196 HA LEU 27 HA LEU 27 132.241 1.259 10.295 197 1HB LEU 27 HB2 LEU 27 132.853 1.918 13.177 198 2HB LEU 27 HB1 LEU 27 133.972 2.337 11.880 199 HG LEU 27 HG LEU 27 131.055 3.091 11.729 200 1HD1 LEU 27 HD13 LEU 27 132.382 3.931 13.845 201 2HD1 LEU 27 HD12 LEU 27 133.156 5.012 12.686 202 3HD1 LEU 27 HD11 LEU 27 131.408 5.069 12.914 203 1HD2 LEU 27 HD22 LEU 27 132.835 3.152 9.788 204 2HD2 LEU 27 HD21 LEU 27 131.745 4.520 10.011 205 3HD2 LEU 27 HD23 LEU 27 133.400 4.606 10.612 206 H HIS 28 HN HIS 28 132.832 -0.913 13.007 207 HA HIS 28 HA HIS 28 135.507 -1.673 12.261 208 1HB HIS 28 HB2 HIS 28 133.446 -3.306 13.774 209 2HB HIS 28 HB1 HIS 28 135.193 -3.545 13.792 210 HD1 HIS 28 HD1 HIS 28 136.077 -0.583 14.062 211 HD2 HIS 28 HD2 HIS 28 133.078 -2.336 16.368 212 HE1 HIS 28 HE1 HIS 28 135.889 0.807 16.171 213 H TYR 29 HN TYR 29 132.294 -2.953 11.464 214 HA TYR 29 HA TYR 29 133.314 -5.210 9.950 215 1HB TYR 29 HB2 TYR 29 130.941 -4.823 11.006 216 2HB TYR 29 HB1 TYR 29 130.601 -3.999 9.485 217 HD1 TYR 29 HD1 TYR 29 131.651 -7.225 10.994 218 HD2 TYR 29 HD2 TYR 29 130.334 -5.211 7.436 219 HE1 TYR 29 HE1 TYR 29 131.317 -9.415 9.878 220 HE2 TYR 29 HE2 TYR 29 130.000 -7.400 6.321 221 HH TYR 29 HH TYR 29 129.692 -10.195 7.813 222 H PHE 30 HN PHE 30 132.493 -1.871 9.223 223 HA PHE 30 HA PHE 30 132.447 -2.155 6.350 224 1HB PHE 30 HB2 PHE 30 131.472 -0.214 7.617 225 2HB PHE 30 HB1 PHE 30 133.116 0.322 7.967 226 HD1 PHE 30 HD1 PHE 30 130.674 -0.328 5.244 227 HD2 PHE 30 HD2 PHE 30 134.461 1.402 6.304 228 HE1 PHE 30 HE1 PHE 30 130.785 0.785 3.030 229 HE2 PHE 30 HE2 PHE 30 134.571 2.516 4.090 230 HZ PHE 30 HZ PHE 30 132.733 2.208 2.454 231 H ARG 31 HN ARG 31 134.985 -1.478 8.721 232 HA ARG 31 HA ARG 31 137.029 -0.796 6.806 233 1HB ARG 31 HB2 ARG 31 137.119 -0.301 9.278 234 2HB ARG 31 HB1 ARG 31 137.417 -2.018 9.553 235 1HG ARG 31 HG2 ARG 31 139.286 -1.515 7.648 236 2HG ARG 31 HG1 ARG 31 139.221 0.060 8.442 237 1HD ARG 31 HD2 ARG 31 140.816 -1.045 9.737 238 2HD ARG 31 HD1 ARG 31 139.339 -1.362 10.650 239 HE ARG 31 HE ARG 31 139.706 -3.449 8.734 240 1HH1 ARG 31 HH11 ARG 31 141.090 -2.218 11.701 241 2HH1 ARG 31 HH12 ARG 31 141.679 -3.769 12.187 242 1HH2 ARG 31 HH21 ARG 31 140.485 -5.437 9.402 243 2HH2 ARG 31 HH22 ARG 31 141.341 -5.573 10.902 244 H ALA 32 HN ALA 32 136.092 -3.843 8.389 245 HA ALA 32 HA ALA 32 138.196 -5.422 7.219 246 1HB ALA 32 HB1 ALA 32 136.730 -6.033 9.224 247 2HB ALA 32 HB3 ALA 32 135.478 -6.451 8.054 248 3HB ALA 32 HB2 ALA 32 137.012 -7.319 8.054 249 H GLN 33 HN GLN 33 135.055 -4.360 6.081 250 HA GLN 33 HA GLN 33 135.225 -6.170 3.731 251 1HB GLN 33 HB2 GLN 33 133.047 -4.224 4.556 252 2HB GLN 33 HB1 GLN 33 132.947 -5.383 3.231 253 1HG GLN 33 HG2 GLN 33 133.605 -6.336 6.007 254 2HG GLN 33 HG1 GLN 33 131.928 -6.021 5.559 255 1HE2 GLN 33 HE22 GLN 33 133.451 -9.511 4.507 256 2HE2 GLN 33 HE21 GLN 33 134.002 -8.542 5.788 257 H THR 34 HN THR 34 137.159 -4.024 4.004 258 HA THR 34 HA THR 34 136.625 -2.652 1.443 259 HB THR 34 HB THR 34 137.346 -0.446 2.494 260 HG1 THR 34 HG1 THR 34 136.623 -1.829 4.859 261 1HG2 THR 34 HG23 THR 34 134.746 -1.700 3.416 262 2HG2 THR 34 HG22 THR 34 135.083 0.031 3.384 263 3HG2 THR 34 HG21 THR 34 135.014 -0.882 1.876 264 H VAL 35 HN VAL 35 138.870 -2.978 4.200 265 HA VAL 35 HA VAL 35 141.233 -2.227 2.785 266 HB VAL 35 HB VAL 35 142.436 -3.445 4.599 267 1HG1 VAL 35 HG11 VAL 35 140.167 -1.563 5.186 268 2HG1 VAL 35 HG13 VAL 35 141.134 -2.203 6.515 269 3HG1 VAL 35 HG12 VAL 35 141.904 -1.262 5.237 270 1HG2 VAL 35 HG23 VAL 35 139.730 -4.627 4.909 271 2HG2 VAL 35 HG22 VAL 35 141.308 -5.320 5.276 272 3HG2 VAL 35 HG21 VAL 35 140.550 -4.204 6.412 273 H GLY 36 HN GLY 36 142.336 -3.294 1.223 274 1HA GLY 36 HA2 GLY 36 143.288 -5.143 0.075 275 2HA GLY 36 HA1 GLY 36 142.418 -6.230 1.160 276 H LYS 37 HN LYS 37 140.802 -3.624 -0.548 277 HA LYS 37 HA LYS 37 139.843 -5.378 -2.697 278 1HB LYS 37 HB2 LYS 37 138.082 -4.525 -0.395 279 2HB LYS 37 HB1 LYS 37 137.408 -4.898 -1.982 280 1HG LYS 37 HG2 LYS 37 138.801 -7.096 -1.793 281 2HG LYS 37 HG1 LYS 37 138.848 -6.725 -0.069 282 1HD LYS 37 HD2 LYS 37 136.351 -6.548 -0.090 283 2HD LYS 37 HD1 LYS 37 136.365 -7.076 -1.773 284 1HE LYS 37 HE2 LYS 37 137.138 -9.225 -1.226 285 2HE LYS 37 HE1 LYS 37 137.754 -8.706 0.343 286 1HZ LYS 37 HZ3 LYS 37 134.872 -8.616 -0.312 287 2HZ LYS 37 HZ2 LYS 37 135.601 -10.012 0.325 288 3HZ LYS 37 HZ1 LYS 37 135.607 -8.565 1.216 289 H ILE 38 HN ILE 38 137.898 -4.035 -3.821 290 HA ILE 38 HA ILE 38 138.997 -1.290 -4.188 291 HB ILE 38 HB ILE 38 137.040 -2.814 -5.936 292 1HG1 ILE 38 HG12 ILE 38 139.998 -2.379 -6.418 293 2HG1 ILE 38 HG11 ILE 38 139.364 -3.846 -5.671 294 1HG2 ILE 38 HG22 ILE 38 138.590 -0.235 -6.225 295 2HG2 ILE 38 HG21 ILE 38 137.952 -1.099 -7.623 296 3HG2 ILE 38 HG23 ILE 38 136.853 -0.486 -6.387 297 1HD1 ILE 38 HD13 ILE 38 138.229 -2.860 -8.279 298 2HD1 ILE 38 HD12 ILE 38 139.712 -3.815 -8.256 299 3HD1 ILE 38 HD11 ILE 38 138.216 -4.494 -7.614 300 H MET 39 HN MET 39 137.961 0.139 -2.867 301 HA MET 39 HA MET 39 135.107 -0.242 -2.210 302 1HB MET 39 HB2 MET 39 136.908 0.518 -0.543 303 2HB MET 39 HB1 MET 39 136.861 2.073 -1.373 304 1HG MET 39 HG2 MET 39 134.515 2.351 -0.864 305 2HG MET 39 HG1 MET 39 134.411 0.710 -0.225 306 1HE MET 39 HE1 MET 39 136.275 3.781 -0.329 307 2HE MET 39 HE3 MET 39 135.612 4.567 1.109 308 3HE MET 39 HE2 MET 39 137.230 3.873 1.148 309 H VAL 40 HN VAL 40 133.598 0.581 -3.561 310 HA VAL 40 HA VAL 40 134.330 2.902 -5.284 311 HB VAL 40 HB VAL 40 131.933 1.055 -5.500 312 1HG1 VAL 40 HG12 VAL 40 133.176 3.037 -7.434 313 2HG1 VAL 40 HG11 VAL 40 131.800 1.991 -7.784 314 3HG1 VAL 40 HG13 VAL 40 131.656 3.260 -6.568 315 1HG2 VAL 40 HG21 VAL 40 134.608 1.008 -6.935 316 2HG2 VAL 40 HG23 VAL 40 134.007 -0.213 -5.813 317 3HG2 VAL 40 HG22 VAL 40 133.215 0.018 -7.372 318 H VAL 41 HN VAL 41 133.633 4.851 -4.584 319 HA VAL 41 HA VAL 41 130.987 5.011 -3.216 320 HB VAL 41 HB VAL 41 131.975 6.721 -1.668 321 1HG1 VAL 41 HG11 VAL 41 133.096 3.908 -1.668 322 2HG1 VAL 41 HG13 VAL 41 133.291 5.019 -0.312 323 3HG1 VAL 41 HG12 VAL 41 131.678 4.501 -0.803 324 1HG2 VAL 41 HG22 VAL 41 134.581 5.701 -2.850 325 2HG2 VAL 41 HG21 VAL 41 133.920 7.321 -3.065 326 3HG2 VAL 41 HG23 VAL 41 134.442 6.788 -1.468 327 H GLY 42 HN GLY 42 129.853 6.949 -3.629 328 1HA GLY 42 HA2 GLY 42 130.798 8.430 -6.009 329 2HA GLY 42 HA1 GLY 42 129.175 8.506 -5.323 330 H ARG 43 HN ARG 43 129.694 10.911 -5.669 331 HA ARG 43 HA ARG 43 131.591 12.196 -3.898 332 1HB ARG 43 HB2 ARG 43 129.399 13.088 -5.724 333 2HB ARG 43 HB1 ARG 43 129.956 14.219 -4.491 334 1HG ARG 43 HG2 ARG 43 132.348 13.531 -5.338 335 2HG ARG 43 HG1 ARG 43 131.479 13.027 -6.789 336 1HD ARG 43 HD2 ARG 43 132.245 15.358 -7.008 337 2HD ARG 43 HD1 ARG 43 130.483 15.282 -6.973 338 HE ARG 43 HE ARG 43 131.497 15.659 -4.312 339 1HH1 ARG 43 HH21 ARG 43 131.005 17.341 -7.338 340 2HH1 ARG 43 HH22 ARG 43 130.866 18.885 -6.572 341 1HH2 ARG 43 HH11 ARG 43 131.309 17.675 -3.363 342 2HH2 ARG 43 HH12 ARG 43 131.035 19.075 -4.347 343 H ARG 44 HN ARG 44 128.222 11.240 -3.642 344 HA ARG 44 HA ARG 44 127.622 12.837 -1.303 345 1HB ARG 44 HB2 ARG 44 126.321 10.584 -2.774 346 2HB ARG 44 HB1 ARG 44 125.803 10.891 -1.117 347 1HG ARG 44 HG2 ARG 44 125.015 13.035 -1.617 348 2HG ARG 44 HG1 ARG 44 126.030 13.178 -3.053 349 1HD ARG 44 HD2 ARG 44 124.519 11.028 -3.746 350 2HD ARG 44 HD1 ARG 44 123.371 11.909 -2.740 351 HE ARG 44 HE ARG 44 124.349 12.738 -5.359 352 1HH1 ARG 44 HH21 ARG 44 123.043 13.826 -2.302 353 2HH1 ARG 44 HH22 ARG 44 122.413 15.286 -2.977 354 1HH2 ARG 44 HH11 ARG 44 123.523 14.643 -6.189 355 2HH2 ARG 44 HH12 ARG 44 122.681 15.747 -5.152 356 H THR 45 HN THR 45 129.019 9.659 -1.850 357 HA THR 45 HA THR 45 128.946 9.038 1.047 358 HB THR 45 HB THR 45 130.160 7.406 -1.200 359 HG1 THR 45 HG1 THR 45 127.955 7.761 -1.571 360 1HG2 THR 45 HG23 THR 45 130.866 6.827 1.101 361 2HG2 THR 45 HG22 THR 45 129.173 6.660 1.567 362 3HG2 THR 45 HG21 THR 45 129.876 5.554 0.386 363 H TYR 46 HN TYR 46 131.186 10.027 -1.474 364 HA TYR 46 HA TYR 46 133.619 9.504 -0.037 365 1HB TYR 46 HB2 TYR 46 133.329 10.054 -2.536 366 2HB TYR 46 HB1 TYR 46 133.241 11.741 -2.032 367 HD1 TYR 46 HD2 TYR 46 135.340 8.715 -1.267 368 HD2 TYR 46 HD1 TYR 46 135.236 12.929 -2.094 369 HE1 TYR 46 HE2 TYR 46 137.814 8.804 -1.128 370 HE2 TYR 46 HE1 TYR 46 137.710 13.017 -1.955 371 HH TYR 46 HH TYR 46 139.538 11.684 -0.867 372 H GLU 47 HN GLU 47 131.420 12.279 -0.156 373 HA GLU 47 HA GLU 47 133.124 13.992 1.460 374 1HB GLU 47 HB2 GLU 47 130.288 14.105 0.477 375 2HB GLU 47 HB1 GLU 47 130.816 15.221 1.737 376 1HG GLU 47 HG2 GLU 47 132.842 15.666 0.149 377 2HG GLU 47 HG1 GLU 47 131.800 14.974 -1.095 378 H SER 48 HN SER 48 130.713 11.548 2.131 379 HA SER 48 HA SER 48 130.003 12.331 4.783 380 1HB SER 48 HB2 SER 48 129.138 10.120 5.035 381 2HB SER 48 HB1 SER 48 128.913 10.527 3.336 382 HG SER 48 HG SER 48 130.311 8.524 4.416 383 H PHE 49 HN PHE 49 132.826 10.695 3.490 384 HA PHE 49 HA PHE 49 133.805 9.663 5.997 385 1HB PHE 49 HB2 PHE 49 135.345 10.417 3.495 386 2HB PHE 49 HB1 PHE 49 135.944 9.406 4.810 387 HD1 PHE 49 HD1 PHE 49 134.003 7.530 5.497 388 HD2 PHE 49 HD2 PHE 49 134.722 9.210 1.610 389 HE1 PHE 49 HE1 PHE 49 132.961 5.542 4.446 390 HE2 PHE 49 HE2 PHE 49 133.679 7.222 0.557 391 HZ PHE 49 HZ PHE 49 132.799 5.387 1.975 392 HA PRO 50 HA PRO 50 135.421 13.429 7.762 393 1HB PRO 50 HB2 PRO 50 137.247 12.224 9.495 394 2HB PRO 50 HB1 PRO 50 135.534 12.502 9.834 395 1HG PRO 50 HG2 PRO 50 136.896 10.004 9.390 396 2HG PRO 50 HG1 PRO 50 135.215 10.281 9.864 397 1HD PRO 50 HD2 PRO 50 136.263 9.538 7.263 398 2HD PRO 50 HD1 PRO 50 134.579 9.634 7.798 399 H LYS 51 HN LYS 51 138.007 10.979 7.332 400 HA LYS 51 HA LYS 51 139.760 13.155 6.275 401 1HB LYS 51 HB2 LYS 51 140.371 11.564 8.306 402 2HB LYS 51 HB1 LYS 51 140.800 10.443 7.014 403 1HG LYS 51 HG2 LYS 51 141.781 13.252 6.780 404 2HG LYS 51 HG1 LYS 51 142.561 12.212 7.973 405 1HD LYS 51 HD2 LYS 51 142.112 11.205 5.176 406 2HD LYS 51 HD1 LYS 51 143.489 12.250 5.525 407 1HE LYS 51 HE2 LYS 51 142.945 9.867 7.274 408 2HE LYS 51 HE1 LYS 51 143.775 9.653 5.732 409 1HZ LYS 51 HZ2 LYS 51 145.264 11.537 6.523 410 2HZ LYS 51 HZ1 LYS 51 144.618 11.254 8.068 411 3HZ LYS 51 HZ3 LYS 51 145.468 10.023 7.269 412 H ARG 52 HN ARG 52 139.277 13.161 4.082 413 HA ARG 52 HA ARG 52 139.253 10.566 2.638 414 1HB ARG 52 HB2 ARG 52 138.640 13.347 1.596 415 2HB ARG 52 HB1 ARG 52 138.332 11.823 0.764 416 1HG ARG 52 HG2 ARG 52 136.441 11.413 1.956 417 2HG ARG 52 HG1 ARG 52 137.159 11.967 3.467 418 1HD ARG 52 HD2 ARG 52 136.683 14.104 1.484 419 2HD ARG 52 HD1 ARG 52 135.222 13.332 2.099 420 HE ARG 52 HE ARG 52 136.945 13.934 4.297 421 1HH1 ARG 52 HH21 ARG 52 134.913 15.511 1.927 422 2HH1 ARG 52 HH22 ARG 52 134.583 16.859 2.959 423 1HH2 ARG 52 HH11 ARG 52 136.491 15.696 5.600 424 2HH2 ARG 52 HH12 ARG 52 135.465 16.964 5.016 425 HA PRO 53 HA PRO 53 139.628 9.664 0.785 426 1HB PRO 53 HB2 PRO 53 141.616 7.992 -0.235 427 2HB PRO 53 HB1 PRO 53 140.649 9.134 -1.179 428 1HG PRO 53 HG2 PRO 53 143.452 9.249 -0.593 429 2HG PRO 53 HG1 PRO 53 142.486 10.368 -1.566 430 1HD PRO 53 HD2 PRO 53 143.449 10.671 1.184 431 2HD PRO 53 HD1 PRO 53 142.811 11.898 0.079 432 H LEU 54 HN LEU 54 139.859 7.156 1.262 433 HA LEU 54 HA LEU 54 140.810 6.936 4.049 434 1HB LEU 54 HB2 LEU 54 139.175 5.075 2.304 435 2HB LEU 54 HB1 LEU 54 139.609 4.733 3.979 436 HG LEU 54 HG LEU 54 138.155 7.253 3.149 437 1HD1 LEU 54 HD12 LEU 54 137.072 4.565 4.028 438 2HD1 LEU 54 HD11 LEU 54 136.129 6.054 4.104 439 3HD1 LEU 54 HD13 LEU 54 136.691 5.444 2.548 440 1HD2 LEU 54 HD21 LEU 54 138.682 5.839 5.777 441 2HD2 LEU 54 HD23 LEU 54 139.223 7.447 5.298 442 3HD2 LEU 54 HD22 LEU 54 137.513 7.148 5.607 443 HA PRO 55 HA PRO 55 144.479 4.780 2.520 444 1HB PRO 55 HB2 PRO 55 145.572 4.400 5.061 445 2HB PRO 55 HB1 PRO 55 145.836 5.808 4.024 446 1HG PRO 55 HG2 PRO 55 144.377 5.655 6.496 447 2HG PRO 55 HG1 PRO 55 144.736 7.080 5.510 448 1HD PRO 55 HD2 PRO 55 142.241 5.602 5.733 449 2HD PRO 55 HD1 PRO 55 142.552 7.156 4.943 450 H GLU 56 HN GLU 56 145.656 2.665 3.253 451 HA GLU 56 HA GLU 56 145.530 0.353 3.613 452 1HB GLU 56 HB2 GLU 56 144.671 1.423 5.911 453 2HB GLU 56 HB1 GLU 56 143.163 0.656 5.411 454 1HG GLU 56 HG2 GLU 56 144.151 -1.102 6.553 455 2HG GLU 56 HG1 GLU 56 144.764 -1.405 4.927 456 H ARG 57 HN ARG 57 143.883 1.670 1.519 457 HA ARG 57 HA ARG 57 142.412 -0.607 0.623 458 1HB ARG 57 HB2 ARG 57 140.102 0.314 0.813 459 2HB ARG 57 HB1 ARG 57 140.820 -0.024 2.387 460 1HG ARG 57 HG2 ARG 57 141.594 2.457 2.322 461 2HG ARG 57 HG1 ARG 57 140.380 2.644 1.057 462 1HD ARG 57 HD2 ARG 57 138.993 3.049 2.827 463 2HD ARG 57 HD1 ARG 57 138.929 1.289 2.906 464 HE ARG 57 HE ARG 57 141.144 2.421 4.429 465 1HH1 ARG 57 HH11 ARG 57 137.752 1.565 4.485 466 2HH1 ARG 57 HH12 ARG 57 137.720 1.400 6.206 467 1HH2 ARG 57 HH21 ARG 57 141.054 2.199 6.653 468 2HH2 ARG 57 HH22 ARG 57 139.566 1.757 7.422 469 H THR 58 HN THR 58 141.063 -0.014 -1.364 470 HA THR 58 HA THR 58 142.454 2.180 -2.814 471 HB THR 58 HB THR 58 140.622 0.089 -4.008 472 HG1 THR 58 HG1 THR 58 142.112 -1.285 -3.515 473 1HG2 THR 58 HG21 THR 58 142.623 2.082 -5.007 474 2HG2 THR 58 HG23 THR 58 142.389 0.583 -5.908 475 3HG2 THR 58 HG22 THR 58 141.030 1.679 -5.649 476 H ASN 59 HN ASN 59 141.372 4.038 -3.267 477 HA ASN 59 HA ASN 59 138.444 4.112 -2.720 478 1HB ASN 59 HB2 ASN 59 140.440 6.377 -3.032 479 2HB ASN 59 HB1 ASN 59 138.741 6.558 -2.592 480 1HD2 ASN 59 HD21 ASN 59 141.759 4.942 -1.470 481 2HD2 ASN 59 HD22 ASN 59 141.353 5.001 0.177 482 H VAL 60 HN VAL 60 137.032 4.361 -4.382 483 HA VAL 60 HA VAL 60 138.109 5.279 -7.019 484 HB VAL 60 HB VAL 60 135.964 3.176 -6.590 485 1HG1 VAL 60 HG12 VAL 60 135.803 4.488 -8.694 486 2HG1 VAL 60 HG11 VAL 60 137.468 4.054 -9.075 487 3HG1 VAL 60 HG13 VAL 60 136.225 2.804 -9.001 488 1HG2 VAL 60 HG21 VAL 60 138.936 3.012 -7.019 489 2HG2 VAL 60 HG23 VAL 60 137.915 2.060 -5.940 490 3HG2 VAL 60 HG22 VAL 60 137.893 1.752 -7.676 491 H VAL 61 HN VAL 61 137.307 7.386 -6.862 492 HA VAL 61 HA VAL 61 134.567 7.907 -5.983 493 HB VAL 61 HB VAL 61 136.508 9.769 -7.383 494 1HG1 VAL 61 HG13 VAL 61 134.071 10.424 -7.281 495 2HG1 VAL 61 HG12 VAL 61 134.193 10.375 -5.523 496 3HG1 VAL 61 HG11 VAL 61 135.153 11.535 -6.441 497 1HG2 VAL 61 HG22 VAL 61 136.093 9.139 -4.446 498 2HG2 VAL 61 HG21 VAL 61 137.571 8.914 -5.381 499 3HG2 VAL 61 HG23 VAL 61 136.991 10.541 -5.029 500 H LEU 62 HN LEU 62 132.811 7.775 -7.276 501 HA LEU 62 HA LEU 62 133.233 7.853 -10.238 502 1HB LEU 62 HB2 LEU 62 132.400 5.674 -9.239 503 2HB LEU 62 HB1 LEU 62 130.934 6.535 -8.771 504 HG LEU 62 HG LEU 62 130.804 7.257 -11.253 505 1HD1 LEU 62 HD11 LEU 62 132.868 5.055 -11.321 506 2HD1 LEU 62 HD13 LEU 62 131.849 5.404 -12.716 507 3HD1 LEU 62 HD12 LEU 62 132.936 6.642 -12.087 508 1HD2 LEU 62 HD22 LEU 62 130.304 4.497 -10.158 509 2HD2 LEU 62 HD21 LEU 62 129.138 5.766 -10.534 510 3HD2 LEU 62 HD23 LEU 62 129.914 4.865 -11.838 511 H THR 63 HN THR 63 132.716 9.921 -10.831 512 HA THR 63 HA THR 63 130.001 10.901 -10.113 513 HB THR 63 HB THR 63 131.493 12.012 -8.531 514 HG1 THR 63 HG1 THR 63 130.889 14.051 -9.025 515 1HG2 THR 63 HG21 THR 63 133.404 11.764 -10.501 516 2HG2 THR 63 HG23 THR 63 133.035 13.489 -10.553 517 3HG2 THR 63 HG22 THR 63 133.574 12.748 -9.047 518 H HIS 64 HN HIS 64 129.771 13.145 -11.469 519 HA HIS 64 HA HIS 64 130.629 12.460 -14.252 520 1HB HIS 64 HB2 HIS 64 128.118 12.498 -13.609 521 2HB HIS 64 HB1 HIS 64 128.303 14.252 -13.555 522 HD1 HIS 64 HD1 HIS 64 127.018 14.819 -15.686 523 HD2 HIS 64 HD2 HIS 64 130.044 12.023 -16.325 524 HE1 HIS 64 HE1 HIS 64 127.226 14.549 -18.195 525 H GLN 65 HN GLN 65 132.162 14.025 -12.267 526 HA GLN 65 HA GLN 65 132.121 16.706 -13.595 527 1HB GLN 65 HB2 GLN 65 131.812 16.348 -10.984 528 2HB GLN 65 HB1 GLN 65 133.570 16.213 -11.018 529 1HG GLN 65 HG2 GLN 65 133.432 18.494 -10.806 530 2HG GLN 65 HG1 GLN 65 133.286 18.401 -12.562 531 1HE2 GLN 65 HE22 GLN 65 129.781 19.174 -12.565 532 2HE2 GLN 65 HE21 GLN 65 131.002 18.390 -13.446 533 H GLU 66 HN GLU 66 133.817 17.101 -14.921 534 HA GLU 66 HA GLU 66 136.111 15.248 -14.925 535 1HB GLU 66 HB2 GLU 66 135.282 17.516 -16.750 536 2HB GLU 66 HB1 GLU 66 136.777 16.602 -16.962 537 1HG GLU 66 HG2 GLU 66 135.580 14.552 -17.303 538 2HG GLU 66 HG1 GLU 66 134.058 15.284 -16.791 539 H ASP 67 HN ASP 67 135.389 18.136 -13.329 540 HA ASP 67 HA ASP 67 138.239 19.014 -13.351 541 1HB ASP 67 HB2 ASP 67 136.276 20.630 -13.842 542 2HB ASP 67 HB1 ASP 67 135.949 20.535 -12.111 543 H TYR 68 HN TYR 68 136.822 16.744 -11.737 544 HA TYR 68 HA TYR 68 137.286 17.721 -8.979 545 1HB TYR 68 HB2 TYR 68 135.321 16.181 -9.773 546 2HB TYR 68 HB1 TYR 68 136.527 14.896 -9.691 547 HD1 TYR 68 HD2 TYR 68 134.887 17.594 -7.710 548 HD2 TYR 68 HD1 TYR 68 137.225 13.991 -7.607 549 HE1 TYR 68 HE2 TYR 68 134.600 17.478 -5.250 550 HE2 TYR 68 HE1 TYR 68 136.938 13.877 -5.146 551 HH TYR 68 HH TYR 68 136.094 16.324 -3.279 552 H GLN 69 HN GLN 69 139.552 17.898 -8.872 553 HA GLN 69 HA GLN 69 141.138 15.452 -9.489 554 1HB GLN 69 HB2 GLN 69 141.819 18.367 -9.178 555 2HB GLN 69 HB1 GLN 69 143.073 17.141 -8.995 556 1HG GLN 69 HG2 GLN 69 142.002 16.228 -11.260 557 2HG GLN 69 HG1 GLN 69 141.522 17.917 -11.428 558 1HE2 GLN 69 HE22 GLN 69 145.241 16.974 -12.400 559 2HE2 GLN 69 HE21 GLN 69 143.936 15.888 -12.358 560 H ALA 70 HN ALA 70 141.173 14.119 -7.734 561 HA ALA 70 HA ALA 70 141.780 15.356 -5.076 562 1HB ALA 70 HB3 ALA 70 140.074 12.936 -5.727 563 2HB ALA 70 HB2 ALA 70 140.573 13.375 -4.093 564 3HB ALA 70 HB1 ALA 70 139.530 14.456 -5.017 565 H GLN 71 HN GLN 71 143.866 14.885 -4.593 566 HA GLN 71 HA GLN 71 145.261 12.621 -5.784 567 1HB GLN 71 HB2 GLN 71 146.025 14.652 -3.672 568 2HB GLN 71 HB1 GLN 71 147.112 13.368 -4.202 569 1HG GLN 71 HG2 GLN 71 147.735 15.071 -5.653 570 2HG GLN 71 HG1 GLN 71 146.486 14.272 -6.610 571 1HE2 GLN 71 HE22 GLN 71 145.770 17.992 -5.056 572 2HE2 GLN 71 HE21 GLN 71 147.118 17.101 -4.535 573 H GLY 72 HN GLY 72 145.725 10.655 -4.830 574 1HA GLY 72 HA2 GLY 72 146.035 9.234 -2.857 575 2HA GLY 72 HA1 GLY 72 144.870 10.244 -2.000 576 H ALA 73 HN ALA 73 142.960 10.350 -4.194 577 HA ALA 73 HA ALA 73 141.900 7.565 -3.983 578 1HB ALA 73 HB2 ALA 73 140.633 9.709 -3.113 579 2HB ALA 73 HB1 ALA 73 140.222 9.913 -4.816 580 3HB ALA 73 HB3 ALA 73 139.741 8.446 -3.962 581 H VAL 74 HN VAL 74 140.634 6.818 -5.914 582 HA VAL 74 HA VAL 74 142.006 7.687 -8.414 583 HB VAL 74 HB VAL 74 140.380 5.178 -7.909 584 1HG1 VAL 74 HG12 VAL 74 140.638 5.983 -10.287 585 2HG1 VAL 74 HG11 VAL 74 142.382 5.822 -10.090 586 3HG1 VAL 74 HG13 VAL 74 141.348 4.398 -9.982 587 1HG2 VAL 74 HG23 VAL 74 143.299 5.827 -7.565 588 2HG2 VAL 74 HG22 VAL 74 142.239 4.889 -6.511 589 3HG2 VAL 74 HG21 VAL 74 142.811 4.196 -8.030 590 H VAL 75 HN VAL 75 140.741 9.421 -9.102 591 HA VAL 75 HA VAL 75 137.819 9.274 -9.083 592 HB VAL 75 HB VAL 75 139.622 11.269 -10.487 593 1HG1 VAL 75 HG13 VAL 75 137.263 11.257 -11.233 594 2HG1 VAL 75 HG12 VAL 75 136.737 11.430 -9.559 595 3HG1 VAL 75 HG11 VAL 75 137.641 12.728 -10.336 596 1HG2 VAL 75 HG22 VAL 75 138.524 11.161 -7.667 597 2HG2 VAL 75 HG21 VAL 75 140.208 11.322 -8.164 598 3HG2 VAL 75 HG23 VAL 75 139.085 12.658 -8.411 599 H VAL 76 HN VAL 76 136.805 7.994 -10.544 600 HA VAL 76 HA VAL 76 138.013 7.699 -13.261 601 HB VAL 76 HB VAL 76 136.524 5.687 -13.431 602 1HG1 VAL 76 HG12 VAL 76 138.951 5.815 -12.390 603 2HG1 VAL 76 HG11 VAL 76 138.105 5.400 -10.899 604 3HG1 VAL 76 HG13 VAL 76 138.021 4.320 -12.291 605 1HG2 VAL 76 HG21 VAL 76 134.953 6.692 -11.611 606 2HG2 VAL 76 HG23 VAL 76 135.226 4.950 -11.607 607 3HG2 VAL 76 HG22 VAL 76 136.086 5.981 -10.463 608 H HIS 77 HN HIS 77 136.196 7.319 -14.986 609 HA HIS 77 HA HIS 77 133.753 8.902 -14.473 610 1HB HIS 77 HB2 HIS 77 135.866 9.678 -16.500 611 2HB HIS 77 HB1 HIS 77 134.211 10.287 -16.546 612 HD1 HIS 77 HD1 HIS 77 137.379 11.296 -15.373 613 HD2 HIS 77 HD2 HIS 77 133.575 11.337 -13.671 614 HE1 HIS 77 HE1 HIS 77 137.456 12.984 -13.485 615 H ASP 78 HN ASP 78 134.345 6.100 -15.104 616 HA ASP 78 HA ASP 78 132.467 5.780 -17.320 617 1HB ASP 78 HB2 ASP 78 135.399 5.205 -17.636 618 2HB ASP 78 HB1 ASP 78 134.224 4.178 -18.458 619 H VAL 79 HN VAL 79 131.236 4.041 -16.804 620 HA VAL 79 HA VAL 79 131.756 2.404 -14.521 621 HB VAL 79 HB VAL 79 129.943 1.762 -16.867 622 1HG1 VAL 79 HG13 VAL 79 130.444 -0.039 -15.142 623 2HG1 VAL 79 HG12 VAL 79 129.679 1.008 -13.945 624 3HG1 VAL 79 HG11 VAL 79 128.741 0.390 -15.305 625 1HG2 VAL 79 HG23 VAL 79 129.652 3.607 -14.502 626 2HG2 VAL 79 HG22 VAL 79 129.220 3.893 -16.188 627 3HG2 VAL 79 HG21 VAL 79 128.232 2.822 -15.193 628 H ALA 80 HN ALA 80 132.392 1.944 -17.970 629 HA ALA 80 HA ALA 80 133.176 -0.822 -17.786 630 1HB ALA 80 HB1 ALA 80 133.912 1.330 -19.794 631 2HB ALA 80 HB3 ALA 80 134.280 -0.384 -19.990 632 3HB ALA 80 HB2 ALA 80 132.603 0.159 -19.943 633 H ALA 81 HN ALA 81 134.866 2.233 -17.321 634 HA ALA 81 HA ALA 81 137.536 1.152 -17.316 635 1HB ALA 81 HB2 ALA 81 136.802 3.624 -17.477 636 2HB ALA 81 HB1 ALA 81 136.660 3.562 -15.721 637 3HB ALA 81 HB3 ALA 81 138.219 3.266 -16.491 638 H VAL 82 HN VAL 82 135.103 1.665 -14.781 639 HA VAL 82 HA VAL 82 136.762 0.980 -12.552 640 HB VAL 82 HB VAL 82 133.777 0.517 -12.838 641 1HG1 VAL 82 HG13 VAL 82 135.698 0.715 -10.520 642 2HG1 VAL 82 HG12 VAL 82 133.983 1.069 -10.311 643 3HG1 VAL 82 HG11 VAL 82 134.492 -0.531 -10.847 644 1HG2 VAL 82 HG21 VAL 82 135.389 2.981 -12.131 645 2HG2 VAL 82 HG23 VAL 82 134.174 2.812 -13.397 646 3HG2 VAL 82 HG22 VAL 82 133.687 2.805 -11.703 647 H PHE 83 HN PHE 83 135.025 -0.962 -14.909 648 HA PHE 83 HA PHE 83 135.372 -3.457 -13.414 649 1HB PHE 83 HB2 PHE 83 134.244 -2.669 -16.071 650 2HB PHE 83 HB1 PHE 83 134.742 -4.345 -15.846 651 HD1 PHE 83 HD2 PHE 83 133.993 -5.378 -13.478 652 HD2 PHE 83 HD1 PHE 83 132.054 -2.122 -15.501 653 HE1 PHE 83 HE2 PHE 83 131.908 -5.831 -12.211 654 HE2 PHE 83 HE1 PHE 83 129.971 -2.576 -14.235 655 HZ PHE 83 HZ PHE 83 129.898 -4.430 -12.591 656 H ALA 84 HN ALA 84 137.033 -1.711 -15.981 657 HA ALA 84 HA ALA 84 138.763 -3.834 -16.833 658 1HB ALA 84 HB2 ALA 84 139.035 -0.820 -16.904 659 2HB ALA 84 HB1 ALA 84 140.244 -1.900 -17.596 660 3HB ALA 84 HB3 ALA 84 138.599 -1.896 -18.231 661 H TYR 85 HN TYR 85 139.022 -1.400 -14.266 662 HA TYR 85 HA TYR 85 141.730 -1.988 -13.520 663 1HB TYR 85 HB2 TYR 85 140.392 0.044 -12.816 664 2HB TYR 85 HB1 TYR 85 139.526 -1.002 -11.690 665 HD1 TYR 85 HD1 TYR 85 142.990 0.027 -12.672 666 HD2 TYR 85 HD2 TYR 85 140.411 -1.421 -9.557 667 HE1 TYR 85 HE1 TYR 85 144.838 0.258 -11.035 668 HE2 TYR 85 HE2 TYR 85 142.259 -1.188 -7.919 669 HH TYR 85 HH TYR 85 144.804 0.613 -8.265 670 H ALA 86 HN ALA 86 138.600 -3.289 -12.452 671 HA ALA 86 HA ALA 86 139.726 -5.006 -10.412 672 1HB ALA 86 HB2 ALA 86 137.276 -4.216 -10.675 673 2HB ALA 86 HB1 ALA 86 137.124 -5.520 -11.853 674 3HB ALA 86 HB3 ALA 86 137.543 -5.888 -10.179 675 H LYS 87 HN LYS 87 138.922 -5.407 -13.836 676 HA LYS 87 HA LYS 87 139.316 -8.241 -13.973 677 1HB LYS 87 HB2 LYS 87 138.337 -6.546 -15.734 678 2HB LYS 87 HB1 LYS 87 140.015 -6.430 -16.268 679 1HG LYS 87 HG2 LYS 87 140.124 -8.728 -16.815 680 2HG LYS 87 HG1 LYS 87 138.682 -9.108 -15.873 681 1HD LYS 87 HD2 LYS 87 138.389 -7.147 -18.104 682 2HD LYS 87 HD1 LYS 87 138.588 -8.846 -18.535 683 1HE LYS 87 HE2 LYS 87 136.675 -8.399 -16.340 684 2HE LYS 87 HE1 LYS 87 136.189 -7.670 -17.870 685 1HZ LYS 87 HZ3 LYS 87 137.022 -10.497 -17.506 686 2HZ LYS 87 HZ2 LYS 87 135.420 -9.958 -17.670 687 3HZ LYS 87 HZ1 LYS 87 136.512 -9.789 -18.959 688 H GLN 88 HN GLN 88 141.534 -5.500 -14.159 689 HA GLN 88 HA GLN 88 143.827 -7.102 -14.962 690 1HB GLN 88 HB2 GLN 88 143.368 -4.280 -14.076 691 2HB GLN 88 HB1 GLN 88 145.007 -4.924 -13.984 692 1HG GLN 88 HG2 GLN 88 143.373 -5.261 -16.492 693 2HG GLN 88 HG1 GLN 88 144.258 -3.764 -16.193 694 1HE2 GLN 88 HE22 GLN 88 146.270 -6.926 -17.579 695 2HE2 GLN 88 HE21 GLN 88 144.577 -6.808 -17.598 696 H HIS 89 HN HIS 89 142.353 -6.165 -11.920 697 HA HIS 89 HA HIS 89 144.650 -7.321 -10.418 698 1HB HIS 89 HB2 HIS 89 142.257 -5.733 -9.446 699 2HB HIS 89 HB1 HIS 89 143.591 -6.291 -8.436 700 HD1 HIS 89 HD1 HIS 89 145.005 -4.295 -7.942 701 HD2 HIS 89 HD2 HIS 89 143.770 -4.352 -11.924 702 HE1 HIS 89 HE1 HIS 89 146.134 -2.329 -9.070 703 HA PRO 90 HA PRO 90 141.822 -10.899 -10.109 704 1HB PRO 90 HB2 PRO 90 143.920 -12.646 -9.463 705 2HB PRO 90 HB1 PRO 90 143.258 -12.365 -11.078 706 1HG PRO 90 HG2 PRO 90 145.838 -11.644 -10.078 707 2HG PRO 90 HG1 PRO 90 145.175 -11.375 -11.696 708 1HD PRO 90 HD2 PRO 90 145.495 -9.473 -9.499 709 2HD PRO 90 HD1 PRO 90 145.154 -9.163 -11.209 710 H ASP 91 HN ASP 91 144.222 -9.721 -7.836 711 HA ASP 91 HA ASP 91 143.010 -11.289 -5.624 712 1HB ASP 91 HB2 ASP 91 145.431 -9.465 -5.726 713 2HB ASP 91 HB1 ASP 91 144.878 -10.304 -4.277 714 H GLN 92 HN GLN 92 141.648 -8.976 -7.027 715 HA GLN 92 HA GLN 92 140.960 -7.485 -4.556 716 1HB GLN 92 HB2 GLN 92 142.038 -6.298 -7.102 717 2HB GLN 92 HB1 GLN 92 140.908 -5.376 -6.110 718 1HG GLN 92 HG2 GLN 92 142.416 -5.797 -4.135 719 2HG GLN 92 HG1 GLN 92 143.585 -6.505 -5.250 720 1HE2 GLN 92 HE22 GLN 92 143.160 -2.460 -5.073 721 2HE2 GLN 92 HE21 GLN 92 142.158 -3.480 -4.158 722 H GLU 93 HN GLU 93 138.788 -7.650 -4.371 723 HA GLU 93 HA GLU 93 137.159 -8.189 -6.785 724 1HB GLU 93 HB2 GLU 93 136.490 -8.221 -3.827 725 2HB GLU 93 HB1 GLU 93 135.332 -8.585 -5.107 726 1HG GLU 93 HG2 GLU 93 136.992 -10.353 -5.917 727 2HG GLU 93 HG1 GLU 93 137.843 -10.111 -4.391 728 H LEU 94 HN LEU 94 134.819 -7.059 -6.473 729 HA LEU 94 HA LEU 94 135.396 -4.135 -6.257 730 1HB LEU 94 HB2 LEU 94 134.486 -5.319 -8.434 731 2HB LEU 94 HB1 LEU 94 132.941 -5.236 -7.585 732 HG LEU 94 HG LEU 94 133.569 -2.741 -7.171 733 1HD1 LEU 94 HD11 LEU 94 135.340 -3.441 -9.534 734 2HD1 LEU 94 HD13 LEU 94 134.992 -1.805 -8.979 735 3HD1 LEU 94 HD12 LEU 94 135.893 -2.913 -7.946 736 1HD2 LEU 94 HD23 LEU 94 131.736 -3.539 -8.645 737 2HD2 LEU 94 HD22 LEU 94 132.538 -2.119 -9.317 738 3HD2 LEU 94 HD21 LEU 94 132.892 -3.721 -9.964 739 H VAL 95 HN VAL 95 134.318 -2.959 -4.731 740 HA VAL 95 HA VAL 95 132.006 -4.260 -3.345 741 HB VAL 95 HB VAL 95 134.122 -2.523 -2.039 742 1HG1 VAL 95 HG11 VAL 95 131.640 -3.944 -1.110 743 2HG1 VAL 95 HG13 VAL 95 132.983 -3.706 0.009 744 3HG1 VAL 95 HG12 VAL 95 132.194 -2.313 -0.732 745 1HG2 VAL 95 HG23 VAL 95 135.008 -4.733 -2.779 746 2HG2 VAL 95 HG22 VAL 95 134.942 -4.596 -1.021 747 3HG2 VAL 95 HG21 VAL 95 133.715 -5.527 -1.880 748 H ILE 96 HN ILE 96 130.209 -2.989 -3.268 749 HA ILE 96 HA ILE 96 130.510 -0.128 -4.073 750 HB ILE 96 HB ILE 96 128.004 -1.830 -4.131 751 1HG1 ILE 96 HG12 ILE 96 129.707 -2.760 -5.659 752 2HG1 ILE 96 HG11 ILE 96 128.397 -2.009 -6.567 753 1HG2 ILE 96 HG22 ILE 96 127.816 0.702 -4.039 754 2HG2 ILE 96 HG21 ILE 96 128.636 0.740 -5.598 755 3HG2 ILE 96 HG23 ILE 96 127.070 -0.055 -5.446 756 1HD1 ILE 96 HD12 ILE 96 131.053 -0.686 -5.928 757 2HD1 ILE 96 HD11 ILE 96 130.620 -1.394 -7.484 758 3HD1 ILE 96 HD13 ILE 96 129.750 0.019 -6.885 759 H ALA 97 HN ALA 97 130.219 1.339 -2.479 760 HA ALA 97 HA ALA 97 128.773 0.483 -0.012 761 1HB ALA 97 HB3 ALA 97 130.960 2.470 -0.559 762 2HB ALA 97 HB2 ALA 97 129.926 2.678 0.855 763 3HB ALA 97 HB1 ALA 97 130.886 1.210 0.673 764 H GLY 98 HN GLY 98 128.786 2.824 -2.622 765 1HA GLY 98 HA2 GLY 98 126.180 3.529 -2.739 766 2HA GLY 98 HA1 GLY 98 126.703 4.476 -1.344 767 H GLY 99 HN GLY 99 127.242 6.842 -4.077 768 1HA GLY 99 HA2 GLY 99 125.491 6.006 -1.878 769 2HA GLY 99 HA1 GLY 99 125.250 7.404 -2.926 770 H ALA 100 HN ALA 100 123.019 6.825 -3.236 771 HA ALA 100 HA ALA 100 122.171 4.264 -4.219 772 1HB ALA 100 HB1 ALA 100 120.931 7.021 -4.288 773 2HB ALA 100 HB3 ALA 100 120.127 5.617 -4.991 774 3HB ALA 100 HB2 ALA 100 120.490 5.653 -3.266 775 H GLN 101 HN GLN 101 123.259 7.225 -5.814 776 HA GLN 101 HA GLN 101 122.515 6.516 -8.484 777 1HB GLN 101 HB2 GLN 101 124.493 8.397 -7.249 778 2HB GLN 101 HB1 GLN 101 124.630 8.050 -8.975 779 1HG GLN 101 HG2 GLN 101 122.053 8.520 -9.007 780 2HG GLN 101 HG1 GLN 101 122.367 9.355 -7.485 781 1HE2 GLN 101 HE22 GLN 101 123.761 12.174 -9.063 782 2HE2 GLN 101 HE21 GLN 101 123.169 11.470 -7.636 783 H ILE 102 HN ILE 102 125.225 5.585 -6.453 784 HA ILE 102 HA ILE 102 126.756 4.414 -8.655 785 HB ILE 102 HB ILE 102 127.062 3.969 -5.672 786 1HG1 ILE 102 HG12 ILE 102 127.158 6.376 -6.226 787 2HG1 ILE 102 HG11 ILE 102 128.748 5.773 -5.768 788 1HG2 ILE 102 HG21 ILE 102 128.773 3.425 -8.092 789 2HG2 ILE 102 HG23 ILE 102 129.502 3.639 -6.501 790 3HG2 ILE 102 HG22 ILE 102 128.347 2.334 -6.773 791 1HD1 ILE 102 HD12 ILE 102 129.265 5.483 -8.217 792 2HD1 ILE 102 HD11 ILE 102 127.738 6.288 -8.579 793 3HD1 ILE 102 HD13 ILE 102 129.016 7.161 -7.734 794 H PHE 103 HN PHE 103 124.580 3.251 -6.105 795 HA PHE 103 HA PHE 103 124.942 0.452 -6.562 796 1HB PHE 103 HB2 PHE 103 122.628 2.062 -5.465 797 2HB PHE 103 HB1 PHE 103 122.582 0.302 -5.570 798 HD1 PHE 103 HD1 PHE 103 125.214 -0.601 -4.856 799 HD2 PHE 103 HD2 PHE 103 122.993 2.710 -3.255 800 HE1 PHE 103 HE1 PHE 103 126.495 -0.765 -2.740 801 HE2 PHE 103 HE2 PHE 103 124.277 2.547 -1.140 802 HZ PHE 103 HZ PHE 103 126.028 0.810 -0.883 803 H THR 104 HN THR 104 122.734 2.826 -8.020 804 HA THR 104 HA THR 104 121.212 0.981 -9.585 805 HB THR 104 HB THR 104 121.850 3.751 -10.567 806 HG1 THR 104 HG1 THR 104 120.666 4.629 -8.993 807 1HG2 THR 104 HG21 THR 104 119.527 1.843 -10.619 808 2HG2 THR 104 HG23 THR 104 119.259 3.572 -10.849 809 3HG2 THR 104 HG22 THR 104 120.303 2.686 -11.961 810 H ALA 105 HN ALA 105 124.321 2.556 -10.126 811 HA ALA 105 HA ALA 105 124.581 1.878 -12.907 812 1HB ALA 105 HB3 ALA 105 125.999 3.573 -11.770 813 2HB ALA 105 HB2 ALA 105 126.763 2.285 -10.837 814 3HB ALA 105 HB1 ALA 105 126.969 2.348 -12.588 815 H PHE 106 HN PHE 106 125.572 0.227 -9.912 816 HA PHE 106 HA PHE 106 126.392 -2.134 -11.535 817 1HB PHE 106 HB2 PHE 106 126.818 -1.541 -8.589 818 2HB PHE 106 HB1 PHE 106 127.462 -2.931 -9.463 819 HD1 PHE 106 HD1 PHE 106 128.771 -2.294 -11.708 820 HD2 PHE 106 HD2 PHE 106 128.189 0.326 -8.355 821 HE1 PHE 106 HE1 PHE 106 130.720 -0.940 -12.428 822 HE2 PHE 106 HE2 PHE 106 130.138 1.680 -9.075 823 HZ PHE 106 HZ PHE 106 131.403 1.047 -11.112 824 H LYS 107 HN LYS 107 123.614 -1.561 -11.317 825 HA LYS 107 HA LYS 107 122.483 -3.256 -9.209 826 1HB LYS 107 HB2 LYS 107 121.340 -1.201 -10.157 827 2HB LYS 107 HB1 LYS 107 121.078 -2.119 -11.641 828 1HG LYS 107 HG2 LYS 107 119.741 -3.754 -10.490 829 2HG LYS 107 HG1 LYS 107 120.179 -3.088 -8.917 830 1HD LYS 107 HD2 LYS 107 118.904 -1.116 -9.274 831 2HD LYS 107 HD1 LYS 107 118.757 -1.430 -11.004 832 1HE LYS 107 HE2 LYS 107 117.538 -3.609 -10.281 833 2HE LYS 107 HE1 LYS 107 117.363 -2.812 -8.717 834 1HZ LYS 107 HZ2 LYS 107 116.532 -1.596 -11.293 835 2HZ LYS 107 HZ1 LYS 107 115.479 -2.447 -10.267 836 3HZ LYS 107 HZ3 LYS 107 116.209 -1.014 -9.730 837 H ASP 108 HN ASP 108 123.353 -3.556 -12.597 838 HA ASP 108 HA ASP 108 122.088 -6.245 -12.733 839 1HB ASP 108 HB2 ASP 108 123.298 -4.408 -14.809 840 2HB ASP 108 HB1 ASP 108 122.883 -6.084 -15.167 841 H ASP 109 HN ASP 109 124.476 -5.700 -11.077 842 HA ASP 109 HA ASP 109 126.121 -7.915 -12.039 843 1HB ASP 109 HB2 ASP 109 127.054 -5.069 -12.206 844 2HB ASP 109 HB1 ASP 109 128.219 -6.328 -11.795 845 H VAL 110 HN VAL 110 125.182 -8.558 -9.902 846 HA VAL 110 HA VAL 110 127.113 -8.061 -7.771 847 HB VAL 110 HB VAL 110 125.642 -6.094 -7.520 848 1HG1 VAL 110 HG11 VAL 110 123.634 -7.276 -8.552 849 2HG1 VAL 110 HG13 VAL 110 123.392 -8.044 -6.983 850 3HG1 VAL 110 HG12 VAL 110 123.290 -6.290 -7.131 851 1HG2 VAL 110 HG22 VAL 110 125.409 -8.261 -5.418 852 2HG2 VAL 110 HG21 VAL 110 126.543 -6.911 -5.461 853 3HG2 VAL 110 HG23 VAL 110 124.832 -6.617 -5.151 854 H ASP 111 HN ASP 111 126.998 -9.683 -6.162 855 HA ASP 111 HA ASP 111 124.890 -11.767 -6.559 856 1HB ASP 111 HB2 ASP 111 127.861 -12.189 -6.111 857 2HB ASP 111 HB1 ASP 111 126.654 -13.476 -6.073 858 H THR 112 HN THR 112 127.523 -10.788 -4.336 859 HA THR 112 HA THR 112 125.994 -11.817 -2.036 860 HB THR 112 HB THR 112 128.513 -10.200 -1.775 861 HG1 THR 112 HG1 THR 112 129.114 -11.560 -3.367 862 1HG2 THR 112 HG22 THR 112 127.307 -12.602 -0.382 863 2HG2 THR 112 HG21 THR 112 128.919 -11.979 -0.028 864 3HG2 THR 112 HG23 THR 112 127.501 -10.974 0.269 865 H LEU 113 HN LEU 113 124.526 -10.561 -1.013 866 HA LEU 113 HA LEU 113 124.766 -7.594 -1.287 867 1HB LEU 113 HB2 LEU 113 122.322 -9.252 -0.591 868 2HB LEU 113 HB1 LEU 113 122.358 -7.510 -0.866 869 HG LEU 113 HG LEU 113 123.315 -9.456 -2.966 870 1HD1 LEU 113 HD12 LEU 113 120.891 -9.859 -2.195 871 2HD1 LEU 113 HD11 LEU 113 120.539 -8.267 -2.870 872 3HD1 LEU 113 HD13 LEU 113 121.141 -9.554 -3.915 873 1HD2 LEU 113 HD23 LEU 113 122.472 -6.556 -2.868 874 2HD2 LEU 113 HD22 LEU 113 123.995 -7.234 -3.443 875 3HD2 LEU 113 HD21 LEU 113 122.523 -7.447 -4.390 876 H LEU 114 HN LEU 114 125.880 -6.911 0.503 877 HA LEU 114 HA LEU 114 125.282 -8.128 3.142 878 1HB LEU 114 HB2 LEU 114 127.347 -6.047 2.360 879 2HB LEU 114 HB1 LEU 114 127.226 -6.844 3.930 880 HG LEU 114 HG LEU 114 127.434 -8.529 1.457 881 1HD1 LEU 114 HD13 LEU 114 129.725 -7.118 2.856 882 2HD1 LEU 114 HD12 LEU 114 129.928 -8.467 1.739 883 3HD1 LEU 114 HD11 LEU 114 129.251 -6.942 1.166 884 1HD2 LEU 114 HD21 LEU 114 128.448 -8.796 4.307 885 2HD2 LEU 114 HD23 LEU 114 126.999 -9.563 3.657 886 3HD2 LEU 114 HD22 LEU 114 128.589 -10.027 3.053 887 H VAL 115 HN VAL 115 124.021 -7.094 4.629 888 HA VAL 115 HA VAL 115 123.642 -4.171 4.459 889 HB VAL 115 HB VAL 115 121.901 -5.099 2.974 890 1HG1 VAL 115 HG12 VAL 115 121.794 -7.320 4.203 891 2HG1 VAL 115 HG11 VAL 115 120.809 -6.507 5.420 892 3HG1 VAL 115 HG13 VAL 115 120.233 -6.632 3.758 893 1HG2 VAL 115 HG21 VAL 115 121.430 -3.081 4.363 894 2HG2 VAL 115 HG23 VAL 115 119.975 -4.022 4.029 895 3HG2 VAL 115 HG22 VAL 115 120.752 -4.129 5.609 896 H THR 116 HN THR 116 122.956 -3.268 6.446 897 HA THR 116 HA THR 116 123.054 -5.164 8.752 898 HB THR 116 HB THR 116 123.438 -2.160 8.829 899 HG1 THR 116 HG1 THR 116 125.639 -2.622 8.772 900 1HG2 THR 116 HG21 THR 116 122.862 -3.559 10.916 901 2HG2 THR 116 HG23 THR 116 124.474 -4.252 10.739 902 3HG2 THR 116 HG22 THR 116 124.284 -2.520 11.009 903 H ARG 117 HN ARG 117 121.057 -5.632 9.521 904 HA ARG 117 HA ARG 117 118.817 -3.764 9.083 905 1HB ARG 117 HB2 ARG 117 118.906 -6.485 10.423 906 2HB ARG 117 HB1 ARG 117 117.440 -5.578 10.046 907 1HG ARG 117 HG2 ARG 117 118.142 -5.590 7.628 908 2HG ARG 117 HG1 ARG 117 119.463 -6.672 8.073 909 1HD ARG 117 HD2 ARG 117 118.037 -8.441 8.548 910 2HD ARG 117 HD1 ARG 117 116.679 -7.380 8.924 911 HE ARG 117 HE ARG 117 117.299 -8.462 6.321 912 1HH1 ARG 117 HH21 ARG 117 116.051 -5.627 7.945 913 2HH1 ARG 117 HH22 ARG 117 115.109 -5.137 6.580 914 1HH2 ARG 117 HH11 ARG 117 116.067 -7.790 4.579 915 2HH2 ARG 117 HH12 ARG 117 115.116 -6.346 4.695 916 H LEU 118 HN LEU 118 118.499 -2.161 10.536 917 HA LEU 118 HA LEU 118 119.508 -2.463 13.304 918 1HB LEU 118 HB2 LEU 118 118.683 -0.201 11.554 919 2HB LEU 118 HB1 LEU 118 118.401 -0.003 13.285 920 HG LEU 118 HG LEU 118 120.866 -0.881 13.507 921 1HD1 LEU 118 HD13 LEU 118 120.935 -1.388 11.009 922 2HD1 LEU 118 HD12 LEU 118 120.979 0.356 10.746 923 3HD1 LEU 118 HD11 LEU 118 122.285 -0.436 11.628 924 1HD2 LEU 118 HD23 LEU 118 119.786 1.518 13.807 925 2HD2 LEU 118 HD22 LEU 118 121.539 1.332 13.771 926 3HD2 LEU 118 HD21 LEU 118 120.681 1.872 12.329 927 H ALA 119 HN ALA 119 117.997 -1.700 15.090 928 HA ALA 119 HA ALA 119 115.272 -2.819 14.600 929 1HB ALA 119 HB2 ALA 119 116.678 -3.924 16.353 930 2HB ALA 119 HB1 ALA 119 116.709 -2.399 17.239 931 3HB ALA 119 HB3 ALA 119 115.182 -3.249 16.999 932 H GLY 120 HN GLY 120 117.020 -0.085 16.035 933 1HA GLY 120 HA2 GLY 120 114.681 1.317 16.959 934 2HA GLY 120 HA1 GLY 120 116.267 2.041 16.695 935 H SER 121 HN SER 121 113.434 2.881 15.918 936 HA SER 121 HA SER 121 113.510 2.842 12.978 937 1HB SER 121 HB2 SER 121 111.458 4.304 13.237 938 2HB SER 121 HB1 SER 121 111.327 2.719 13.993 939 HG SER 121 HG SER 121 111.117 3.688 15.837 940 H PHE 122 HN PHE 122 113.594 4.839 11.712 941 HA PHE 122 HA PHE 122 114.624 7.250 13.075 942 1HB PHE 122 HB2 PHE 122 116.203 5.783 10.940 943 2HB PHE 122 HB1 PHE 122 116.616 7.361 11.608 944 HD1 PHE 122 HD1 PHE 122 117.208 7.583 14.026 945 HD2 PHE 122 HD2 PHE 122 116.646 3.758 12.153 946 HE1 PHE 122 HE1 PHE 122 118.366 6.484 15.924 947 HE2 PHE 122 HE2 PHE 122 117.805 2.660 14.050 948 HZ PHE 122 HZ PHE 122 118.665 4.022 15.936 949 H GLU 123 HN GLU 123 114.871 9.070 11.448 950 HA GLU 123 HA GLU 123 112.970 8.711 9.163 951 1HB GLU 123 HB2 GLU 123 112.007 10.042 11.061 952 2HB GLU 123 HB1 GLU 123 113.314 11.207 10.853 953 1HG GLU 123 HG2 GLU 123 111.584 12.143 9.572 954 2HG GLU 123 HG1 GLU 123 112.534 11.276 8.364 955 H GLY 124 HN GLY 124 113.557 9.740 7.228 956 1HA GLY 124 HA2 GLY 124 115.608 11.709 6.960 957 2HA GLY 124 HA1 GLY 124 116.316 10.118 6.683 958 H ASP 125 HN ASP 125 116.520 11.481 4.503 959 HA ASP 125 HA ASP 125 114.092 10.974 2.837 960 1HB ASP 125 HB2 ASP 125 115.180 12.551 1.213 961 2HB ASP 125 HB1 ASP 125 114.799 13.297 2.766 962 H THR 126 HN THR 126 117.532 10.314 3.171 963 HA THR 126 HA THR 126 117.850 9.019 0.604 964 HB THR 126 HB THR 126 119.513 8.325 3.012 965 HG1 THR 126 HG1 THR 126 119.673 10.713 1.491 966 1HG2 THR 126 HG23 THR 126 119.885 7.325 0.719 967 2HG2 THR 126 HG22 THR 126 120.275 8.948 0.150 968 3HG2 THR 126 HG21 THR 126 121.278 8.181 1.381 969 H LYS 127 HN LYS 127 117.223 6.994 0.028 970 HA LYS 127 HA LYS 127 116.736 4.973 2.162 971 1HB LYS 127 HB2 LYS 127 114.797 5.759 -0.032 972 2HB LYS 127 HB1 LYS 127 114.635 4.298 0.944 973 1HG LYS 127 HG2 LYS 127 114.368 5.561 2.959 974 2HG LYS 127 HG1 LYS 127 114.859 7.058 2.163 975 1HD LYS 127 HD2 LYS 127 112.509 7.226 2.235 976 2HD LYS 127 HD1 LYS 127 112.828 6.641 0.602 977 1HE LYS 127 HE2 LYS 127 112.641 4.269 1.794 978 2HE LYS 127 HE1 LYS 127 111.668 5.187 2.943 979 1HZ LYS 127 HZ3 LYS 127 111.217 5.334 0.022 980 2HZ LYS 127 HZ2 LYS 127 110.455 4.169 0.997 981 3HZ LYS 127 HZ1 LYS 127 110.177 5.823 1.270 982 H MET 128 HN MET 128 116.809 2.766 1.341 983 HA MET 128 HA MET 128 118.722 2.462 -0.851 984 1HB MET 128 HB2 MET 128 118.636 1.055 1.292 985 2HB MET 128 HB1 MET 128 117.248 0.240 0.573 986 1HG MET 128 HG2 MET 128 119.185 -1.064 0.005 987 2HG MET 128 HG1 MET 128 118.694 -0.214 -1.459 988 1HE MET 128 HE3 MET 128 120.503 -0.722 -2.485 989 2HE MET 128 HE2 MET 128 121.095 0.879 -2.917 990 3HE MET 128 HE1 MET 128 122.192 -0.289 -2.184 991 H ILE 129 HN ILE 129 118.306 1.416 -2.847 992 HA ILE 129 HA ILE 129 115.691 1.844 -3.974 993 HB ILE 129 HB ILE 129 116.625 0.614 -5.947 994 1HG1 ILE 129 HG12 ILE 129 119.253 0.474 -4.504 995 2HG1 ILE 129 HG11 ILE 129 118.079 -0.821 -4.259 996 1HG2 ILE 129 HG22 ILE 129 118.417 2.701 -4.668 997 2HG2 ILE 129 HG21 ILE 129 118.474 2.234 -6.367 998 3HG2 ILE 129 HG23 ILE 129 117.033 3.013 -5.714 999 1HD1 ILE 129 HD12 ILE 129 118.860 0.122 -7.021 1000 2HD1 ILE 129 HD11 ILE 129 119.757 -1.142 -6.178 1001 3HD1 ILE 129 HD13 ILE 129 118.053 -1.381 -6.569 1002 HA PRO 130 HA PRO 130 113.718 -2.061 -3.162 1003 1HB PRO 130 HB2 PRO 130 112.218 -2.273 -5.514 1004 2HB PRO 130 HB1 PRO 130 111.752 -1.371 -4.066 1005 1HG PRO 130 HG2 PRO 130 112.456 -0.340 -6.644 1006 2HG PRO 130 HG1 PRO 130 111.957 0.555 -5.202 1007 1HD PRO 130 HD2 PRO 130 114.639 0.203 -6.310 1008 2HD PRO 130 HD1 PRO 130 114.077 1.346 -5.080 1009 H LEU 131 HN LEU 131 114.736 -4.007 -3.284 1010 HA LEU 131 HA LEU 131 115.712 -4.926 -5.960 1011 1HB LEU 131 HB2 LEU 131 116.811 -5.629 -3.220 1012 2HB LEU 131 HB1 LEU 131 117.452 -6.180 -4.768 1013 HG LEU 131 HG LEU 131 117.155 -3.236 -4.227 1014 1HD1 LEU 131 HD11 LEU 131 118.418 -4.227 -2.320 1015 2HD1 LEU 131 HD13 LEU 131 119.548 -4.942 -3.470 1016 3HD1 LEU 131 HD12 LEU 131 119.428 -3.188 -3.325 1017 1HD2 LEU 131 HD22 LEU 131 118.874 -4.998 -5.989 1018 2HD2 LEU 131 HD21 LEU 131 117.697 -3.783 -6.490 1019 3HD2 LEU 131 HD23 LEU 131 119.218 -3.285 -5.748 1020 H ASN 132 HN ASN 132 116.027 -7.506 -5.750 1021 HA ASN 132 HA ASN 132 113.365 -8.533 -4.885 1022 1HB ASN 132 HB2 ASN 132 114.180 -8.812 -7.292 1023 2HB ASN 132 HB1 ASN 132 115.377 -9.941 -6.655 1024 1HD2 ASN 132 HD22 ASN 132 111.952 -11.543 -7.544 1025 2HD2 ASN 132 HD21 ASN 132 112.764 -10.286 -8.346 1026 H TRP 133 HN TRP 133 113.276 -9.814 -3.112 1027 HA TRP 133 HA TRP 133 115.835 -10.853 -1.996 1028 1HB TRP 133 HB2 TRP 133 113.098 -10.507 -0.734 1029 2HB TRP 133 HB1 TRP 133 114.512 -11.155 0.097 1030 HD1 TRP 133 HD1 TRP 133 112.839 -7.962 -0.791 1031 HE1 TRP 133 HE1 TRP 133 114.316 -5.959 -0.119 1032 HE3 TRP 133 HE3 TRP 133 117.209 -10.396 0.235 1033 HZ2 TRP 133 HZ2 TRP 133 116.999 -5.457 0.741 1034 HZ3 TRP 133 HZ3 TRP 133 119.207 -9.133 0.979 1035 HH2 TRP 133 HH2 TRP 133 119.107 -6.669 1.233 1036 H ASP 134 HN ASP 134 112.760 -11.871 -3.328 1037 HA ASP 134 HA ASP 134 112.676 -14.544 -2.354 1038 1HB ASP 134 HB2 ASP 134 111.649 -13.248 -4.880 1039 2HB ASP 134 HB1 ASP 134 111.401 -14.962 -4.552 1040 H ASP 135 HN ASP 135 114.654 -13.053 -4.825 1041 HA ASP 135 HA ASP 135 115.592 -15.711 -5.769 1042 1HB ASP 135 HB2 ASP 135 115.019 -13.773 -7.358 1043 2HB ASP 135 HB1 ASP 135 116.503 -13.014 -6.782 1044 H PHE 136 HN PHE 136 116.225 -14.653 -3.069 1045 HA PHE 136 HA PHE 136 119.154 -14.987 -3.230 1046 1HB PHE 136 HB2 PHE 136 117.785 -12.532 -2.114 1047 2HB PHE 136 HB1 PHE 136 119.414 -13.001 -1.626 1048 HD1 PHE 136 HD2 PHE 136 117.306 -11.871 -4.442 1049 HD2 PHE 136 HD1 PHE 136 121.289 -12.843 -3.159 1050 HE1 PHE 136 HE2 PHE 136 118.223 -10.829 -6.498 1051 HE2 PHE 136 HE1 PHE 136 122.205 -11.801 -5.214 1052 HZ PHE 136 HZ PHE 136 120.673 -10.795 -6.883 1053 H THR 137 HN THR 137 119.784 -16.320 -1.599 1054 HA THR 137 HA THR 137 117.853 -16.805 0.622 1055 HB THR 137 HB THR 137 120.252 -18.530 0.073 1056 HG1 THR 137 HG1 THR 137 119.465 -19.047 -1.781 1057 1HG2 THR 137 HG22 THR 137 117.503 -18.863 1.265 1058 2HG2 THR 137 HG21 THR 137 118.463 -20.257 0.767 1059 3HG2 THR 137 HG23 THR 137 119.070 -19.169 2.015 1060 H LYS 138 HN LYS 138 118.659 -16.899 2.805 1061 HA LYS 138 HA LYS 138 120.904 -15.047 3.278 1062 1HB LYS 138 HB2 LYS 138 118.568 -15.263 4.551 1063 2HB LYS 138 HB1 LYS 138 119.478 -16.429 5.513 1064 1HG LYS 138 HG2 LYS 138 120.925 -14.827 6.344 1065 2HG LYS 138 HG1 LYS 138 120.757 -13.790 4.927 1066 1HD LYS 138 HD2 LYS 138 119.617 -12.704 6.756 1067 2HD LYS 138 HD1 LYS 138 118.385 -13.324 5.656 1068 1HE LYS 138 HE2 LYS 138 118.177 -15.354 7.090 1069 2HE LYS 138 HE1 LYS 138 119.326 -14.638 8.221 1070 1HZ LYS 138 HZ1 LYS 138 117.826 -12.767 8.507 1071 2HZ LYS 138 HZ3 LYS 138 116.720 -13.459 7.422 1072 3HZ LYS 138 HZ2 LYS 138 117.049 -14.226 8.902 1073 H VAL 139 HN VAL 139 122.924 -15.889 3.329 1074 HA VAL 139 HA VAL 139 123.359 -18.732 3.933 1075 HB VAL 139 HB VAL 139 125.404 -16.547 3.437 1076 1HG1 VAL 139 HG13 VAL 139 125.508 -19.575 3.318 1077 2HG1 VAL 139 HG12 VAL 139 126.791 -18.519 2.728 1078 3HG1 VAL 139 HG11 VAL 139 126.377 -18.531 4.442 1079 1HG2 VAL 139 HG21 VAL 139 123.877 -18.362 1.556 1080 2HG2 VAL 139 HG23 VAL 139 124.004 -16.603 1.501 1081 3HG2 VAL 139 HG22 VAL 139 125.401 -17.600 1.101 1082 H SER 140 HN SER 140 124.589 -15.651 5.295 1083 HA SER 140 HA SER 140 124.716 -17.020 7.952 1084 1HB SER 140 HB2 SER 140 126.771 -15.319 6.562 1085 2HB SER 140 HB1 SER 140 126.703 -15.353 8.322 1086 HG SER 140 HG SER 140 127.126 -17.488 6.510 1087 H SER 141 HN SER 141 124.767 -15.352 9.771 1088 HA SER 141 HA SER 141 123.774 -12.676 9.234 1089 1HB SER 141 HB2 SER 141 121.677 -13.790 8.820 1090 2HB SER 141 HB1 SER 141 121.866 -14.799 10.250 1091 HG SER 141 HG SER 141 121.427 -12.003 10.098 1092 H ARG 142 HN ARG 142 125.349 -11.961 10.683 1093 HA ARG 142 HA ARG 142 125.545 -13.149 13.368 1094 1HB ARG 142 HB2 ARG 142 127.457 -12.115 11.870 1095 2HB ARG 142 HB1 ARG 142 126.909 -10.595 12.577 1096 1HG ARG 142 HG2 ARG 142 128.259 -11.096 14.326 1097 2HG ARG 142 HG1 ARG 142 127.035 -12.282 14.777 1098 1HD ARG 142 HD2 ARG 142 128.892 -13.659 14.663 1099 2HD ARG 142 HD1 ARG 142 128.330 -13.777 12.995 1100 HE ARG 142 HE ARG 142 130.301 -12.685 12.343 1101 1HH1 ARG 142 HH21 ARG 142 129.608 -11.950 15.692 1102 2HH1 ARG 142 HH22 ARG 142 131.065 -11.042 15.897 1103 1HH2 ARG 142 HH11 ARG 142 132.175 -11.502 12.655 1104 2HH2 ARG 142 HH12 ARG 142 132.503 -10.789 14.199 1105 H THR 143 HN THR 143 124.473 -12.385 15.129 1106 HA THR 143 HA THR 143 122.874 -9.894 14.813 1107 HB THR 143 HB THR 143 122.687 -11.855 17.102 1108 HG1 THR 143 HG1 THR 143 122.271 -13.165 15.453 1109 1HG2 THR 143 HG21 THR 143 121.554 -9.468 16.898 1110 2HG2 THR 143 HG23 THR 143 120.415 -10.343 15.873 1111 3HG2 THR 143 HG22 THR 143 120.653 -10.838 17.549 1112 H VAL 144 HN VAL 144 123.410 -8.078 15.943 1113 HA VAL 144 HA VAL 144 125.312 -8.352 18.232 1114 HB VAL 144 HB VAL 144 125.432 -6.184 16.114 1115 1HG1 VAL 144 HG12 VAL 144 127.217 -6.914 18.454 1116 2HG1 VAL 144 HG11 VAL 144 127.634 -5.725 17.220 1117 3HG1 VAL 144 HG13 VAL 144 126.254 -5.446 18.283 1118 1HG2 VAL 144 HG23 VAL 144 126.981 -8.753 16.485 1119 2HG2 VAL 144 HG22 VAL 144 126.175 -8.166 15.031 1120 3HG2 VAL 144 HG21 VAL 144 127.652 -7.386 15.595 1121 H GLU 145 HN GLU 145 125.194 -6.528 19.748 1122 HA GLU 145 HA GLU 145 122.772 -4.822 19.496 1123 1HB GLU 145 HB2 GLU 145 122.165 -5.347 21.865 1124 2HB GLU 145 HB1 GLU 145 122.021 -6.744 20.798 1125 1HG GLU 145 HG2 GLU 145 123.205 -7.696 22.547 1126 2HG GLU 145 HG1 GLU 145 124.543 -7.144 21.542 1127 H ASP 146 HN ASP 146 122.844 -2.966 20.984 1128 HA ASP 146 HA ASP 146 125.634 -2.332 21.866 1129 1HB ASP 146 HB2 ASP 146 124.296 -1.038 19.886 1130 2HB ASP 146 HB1 ASP 146 123.771 -0.094 21.281 1131 H THR 147 HN THR 147 125.097 -0.023 23.295 1132 HA THR 147 HA THR 147 124.158 -1.042 25.797 1133 HB THR 147 HB THR 147 124.231 1.343 26.530 1134 HG1 THR 147 HG1 THR 147 123.973 2.786 25.055 1135 1HG2 THR 147 HG23 THR 147 126.540 0.370 24.826 1136 2HG2 THR 147 HG22 THR 147 126.647 1.703 25.976 1137 3HG2 THR 147 HG21 THR 147 126.298 0.071 26.548 1138 H ASN 148 HN ASN 148 122.549 0.641 23.164 1139 HA ASN 148 HA ASN 148 120.014 0.641 24.747 1140 1HB ASN 148 HB2 ASN 148 120.814 2.222 22.284 1141 2HB ASN 148 HB1 ASN 148 119.214 2.272 23.023 1142 1HD2 ASN 148 HD22 ASN 148 120.314 4.867 25.130 1143 2HD2 ASN 148 HD21 ASN 148 119.135 4.294 24.051 1144 HA PRO 149 HA PRO 149 118.239 -2.329 21.949 1145 1HB PRO 149 HB2 PRO 149 115.612 -1.354 21.876 1146 2HB PRO 149 HB1 PRO 149 116.285 -2.440 23.099 1147 1HG PRO 149 HG2 PRO 149 115.458 0.280 23.417 1148 2HG PRO 149 HG1 PRO 149 116.123 -0.814 24.639 1149 1HD PRO 149 HD2 PRO 149 117.444 1.367 23.205 1150 2HD PRO 149 HD1 PRO 149 117.972 0.499 24.655 1151 H ALA 150 HN ALA 150 117.629 1.071 21.211 1152 HA ALA 150 HA ALA 150 116.687 0.612 18.508 1153 1HB ALA 150 HB2 ALA 150 117.871 3.091 19.796 1154 2HB ALA 150 HB1 ALA 150 117.059 3.051 18.231 1155 3HB ALA 150 HB3 ALA 150 116.155 2.693 19.703 1156 H LEU 151 HN LEU 151 119.827 1.088 20.016 1157 HA LEU 151 HA LEU 151 121.252 1.479 17.506 1158 1HB LEU 151 HB2 LEU 151 122.090 0.947 20.353 1159 2HB LEU 151 HB1 LEU 151 123.268 0.942 19.041 1160 HG LEU 151 HG LEU 151 121.352 3.236 19.514 1161 1HD1 LEU 151 HD12 LEU 151 124.147 2.756 20.569 1162 2HD1 LEU 151 HD11 LEU 151 123.439 4.367 20.457 1163 3HD1 LEU 151 HD13 LEU 151 122.697 3.147 21.492 1164 1HD2 LEU 151 HD21 LEU 151 123.865 2.836 17.868 1165 2HD2 LEU 151 HD23 LEU 151 122.245 3.206 17.279 1166 3HD2 LEU 151 HD22 LEU 151 123.157 4.423 18.171 1167 H THR 152 HN THR 152 119.895 -1.275 18.996 1168 HA THR 152 HA THR 152 121.812 -3.296 18.469 1169 HB THR 152 HB THR 152 118.835 -3.667 18.106 1170 HG1 THR 152 HG1 THR 152 120.312 -3.569 20.525 1171 1HG2 THR 152 HG22 THR 152 120.692 -5.490 17.756 1172 2HG2 THR 152 HG21 THR 152 120.738 -5.509 19.519 1173 3HG2 THR 152 HG23 THR 152 119.240 -5.892 18.672 1174 H HIS 153 HN HIS 153 122.305 -4.487 16.626 1175 HA HIS 153 HA HIS 153 120.806 -3.936 14.126 1176 1HB HIS 153 HB2 HIS 153 122.971 -3.556 12.910 1177 2HB HIS 153 HB1 HIS 153 122.578 -2.277 14.059 1178 HD1 HIS 153 HD1 HIS 153 123.697 -2.752 16.577 1179 HD2 HIS 153 HD2 HIS 153 125.523 -4.534 13.280 1180 HE1 HIS 153 HE1 HIS 153 126.041 -3.376 17.307 1181 H THR 154 HN THR 154 121.485 -5.486 12.377 1182 HA THR 154 HA THR 154 122.836 -7.934 13.383 1183 HB THR 154 HB THR 154 120.176 -8.065 11.945 1184 HG1 THR 154 HG1 THR 154 120.748 -8.259 14.716 1185 1HG2 THR 154 HG23 THR 154 122.074 -9.969 12.195 1186 2HG2 THR 154 HG22 THR 154 121.207 -10.220 13.710 1187 3HG2 THR 154 HG21 THR 154 120.350 -10.337 12.173 1188 H TYR 155 HN TYR 155 124.413 -8.297 11.910 1189 HA TYR 155 HA TYR 155 124.356 -7.193 9.237 1190 1HB TYR 155 HB2 TYR 155 126.147 -9.334 10.429 1191 2HB TYR 155 HB1 TYR 155 126.439 -8.488 8.910 1192 HD1 TYR 155 HD2 TYR 155 126.653 -5.934 8.967 1193 HD2 TYR 155 HD1 TYR 155 126.817 -8.388 12.489 1194 HE1 TYR 155 HE2 TYR 155 127.743 -4.083 10.206 1195 HE2 TYR 155 HE1 TYR 155 127.907 -6.537 13.728 1196 HH TYR 155 HH TYR 155 128.022 -4.028 13.557 1197 H GLU 156 HN GLU 156 123.676 -8.143 7.351 1198 HA GLU 156 HA GLU 156 122.806 -11.004 7.489 1199 1HB GLU 156 HB2 GLU 156 121.460 -8.733 5.991 1200 2HB GLU 156 HB1 GLU 156 120.944 -10.418 5.983 1201 1HG GLU 156 HG2 GLU 156 121.269 -8.988 8.603 1202 2HG GLU 156 HG1 GLU 156 119.810 -8.727 7.646 1203 H VAL 157 HN VAL 157 123.613 -12.279 5.880 1204 HA VAL 157 HA VAL 157 124.989 -10.912 3.599 1205 HB VAL 157 HB VAL 157 125.667 -13.605 4.817 1206 1HG1 VAL 157 HG11 VAL 157 126.233 -13.189 2.385 1207 2HG1 VAL 157 HG13 VAL 157 127.255 -11.855 2.920 1208 3HG1 VAL 157 HG12 VAL 157 127.629 -13.506 3.416 1209 1HG2 VAL 157 HG22 VAL 157 126.667 -10.818 5.338 1210 2HG2 VAL 157 HG21 VAL 157 126.334 -12.112 6.489 1211 3HG2 VAL 157 HG23 VAL 157 127.779 -12.178 5.480 1212 H TRP 158 HN TRP 158 123.348 -11.042 2.064 1213 HA TRP 158 HA TRP 158 121.958 -13.620 1.643 1214 1HB TRP 158 HB2 TRP 158 121.667 -10.939 0.252 1215 2HB TRP 158 HB1 TRP 158 120.646 -12.348 -0.036 1216 HD1 TRP 158 HD1 TRP 158 121.661 -10.001 2.856 1217 HE1 TRP 158 HE1 TRP 158 119.695 -9.876 4.520 1218 HE3 TRP 158 HE3 TRP 158 118.478 -13.373 0.715 1219 HZ2 TRP 158 HZ2 TRP 158 117.114 -11.051 4.892 1220 HZ3 TRP 158 HZ3 TRP 158 116.275 -13.850 1.745 1221 HH2 TRP 158 HH2 TRP 158 115.589 -12.694 3.829 1222 H GLN 159 HN GLN 159 121.899 -14.555 -0.562 1223 HA GLN 159 HA GLN 159 124.150 -13.805 -2.338 1224 1HB GLN 159 HB2 GLN 159 123.844 -16.470 -0.947 1225 2HB GLN 159 HB1 GLN 159 124.744 -16.311 -2.455 1226 1HG GLN 159 HG2 GLN 159 125.860 -14.276 -1.110 1227 2HG GLN 159 HG1 GLN 159 125.410 -15.287 0.264 1228 1HE2 GLN 159 HE22 GLN 159 128.557 -16.350 -2.029 1229 2HE2 GLN 159 HE21 GLN 159 127.731 -14.883 -2.253 1230 H LYS 160 HN LYS 160 123.895 -14.684 -4.493 1231 HA LYS 160 HA LYS 160 121.151 -14.884 -5.350 1232 1HB LYS 160 HB2 LYS 160 123.354 -14.160 -6.641 1233 2HB LYS 160 HB1 LYS 160 123.398 -15.870 -7.070 1234 1HG LYS 160 HG2 LYS 160 121.420 -15.760 -8.282 1235 2HG LYS 160 HG1 LYS 160 120.815 -14.380 -7.364 1236 1HD LYS 160 HD2 LYS 160 121.411 -13.306 -9.322 1237 2HD LYS 160 HD1 LYS 160 122.936 -13.186 -8.444 1238 1HE LYS 160 HE2 LYS 160 122.447 -15.635 -10.089 1239 2HE LYS 160 HE1 LYS 160 122.861 -14.139 -10.926 1240 1HZ LYS 160 HZ1 LYS 160 124.788 -13.949 -9.400 1241 2HZ LYS 160 HZ3 LYS 160 124.426 -15.493 -8.800 1242 3HZ LYS 160 HZ2 LYS 160 124.863 -15.298 -10.430 1243 H LYS 161 HN LYS 161 119.956 -16.703 -5.923 1244 HA LYS 161 HA LYS 161 120.792 -19.241 -4.748 1245 1HB LYS 161 HB2 LYS 161 118.360 -18.472 -6.389 1246 2HB LYS 161 HB1 LYS 161 118.590 -20.048 -5.630 1247 1HG LYS 161 HG2 LYS 161 118.401 -19.185 -3.468 1248 2HG LYS 161 HG1 LYS 161 118.841 -17.554 -3.973 1249 1HD LYS 161 HD2 LYS 161 116.574 -17.234 -3.776 1250 2HD LYS 161 HD1 LYS 161 116.601 -17.846 -5.430 1251 1HE LYS 161 HE2 LYS 161 116.467 -19.843 -3.213 1252 2HE LYS 161 HE1 LYS 161 115.009 -18.923 -3.580 1253 1HZ LYS 161 HZ2 LYS 161 116.599 -20.385 -5.613 1254 2HZ LYS 161 HZ1 LYS 161 115.228 -21.028 -4.843 1255 3HZ LYS 161 HZ3 LYS 161 115.080 -19.656 -5.828 1256 H ALA 162 HN ALA 162 119.679 -18.435 -8.059 1257 HA ALA 162 HA ALA 162 121.928 -19.943 -9.213 1258 1HB ALA 162 HB1 ALA 162 120.013 -21.585 -8.627 1259 2HB ALA 162 HB3 ALA 162 119.133 -20.814 -9.947 1260 3HB ALA 162 HB2 ALA 162 120.659 -21.638 -10.268 1261 1HN2 MTX 170 1HN2 MTX 170 126.391 -1.233 7.494 1262 2HN2 MTX 170 2HN2 MTX 170 126.518 -1.685 5.863 1263 1HN4 MTX 170 1HN4 MTX 170 128.310 1.267 2.640 1264 2HN4 MTX 170 2HN4 MTX 170 128.842 2.811 3.101 1265 H7 MTX 170 H7 MTX 170 128.798 5.229 8.478 1266 1H9 MTX 170 H91 MTX 170 128.864 6.804 5.639 1267 2H9 MTX 170 H92 MTX 170 130.414 6.024 5.302 1268 1HM MTX 170 HM1 MTX 170 129.467 7.484 9.014 1269 2HM MTX 170 HM2 MTX 170 128.384 7.710 7.608 1270 3HM MTX 170 HM3 MTX 170 129.816 8.762 7.814 1271 H12 MTX 170 H13 MTX 170 134.272 8.089 9.021 1272 H13 MTX 170 H12 MTX 170 131.905 8.548 8.376 1273 H15 MTX 170 H16 MTX 170 131.554 4.510 6.830 1274 H16 MTX 170 H15 MTX 170 133.922 4.062 7.480 1275 HN MTX 170 HN MTX 170 135.081 4.008 9.540 1276 HA MTX 170 HA MTX 170 137.728 5.206 9.919 1277 1HB MTX 170 HB1 MTX 170 138.083 2.894 11.169 1278 2HB MTX 170 HB2 MTX 170 136.345 2.718 10.993 1279 1HG MTX 170 HG1 MTX 170 136.071 5.018 12.071 1280 2HG MTX 170 HG2 MTX 170 137.810 5.048 12.352 1281 HN1 MTX 170 H1N MTX 170 127.096 0.861 8.199 No H/Q in entry = 1281 Start of MODEL 5 1 1H THR 1 HT2 THR 1 131.690 -8.406 -7.604 2 2H THR 1 HT1 THR 1 132.495 -7.198 -8.486 3 3H THR 1 HT3 THR 1 132.897 -7.468 -6.861 4 HA THR 1 HA THR 1 131.566 -5.524 -6.916 5 HB THR 1 HB THR 1 129.421 -7.138 -8.306 6 HG1 THR 1 HG1 THR 1 130.363 -6.748 -10.127 7 1HG2 THR 1 HG21 THR 1 129.884 -4.233 -7.646 8 2HG2 THR 1 HG23 THR 1 128.753 -4.718 -8.909 9 3HG2 THR 1 HG22 THR 1 128.494 -5.242 -7.245 10 H ALA 2 HN ALA 2 130.807 -5.322 -4.873 11 HA ALA 2 HA ALA 2 129.033 -7.461 -3.787 12 1HB ALA 2 HB3 ALA 2 131.535 -6.318 -2.538 13 2HB ALA 2 HB2 ALA 2 130.277 -7.080 -1.564 14 3HB ALA 2 HB1 ALA 2 131.122 -8.012 -2.800 15 H PHE 3 HN PHE 3 127.198 -6.563 -3.007 16 HA PHE 3 HA PHE 3 127.042 -3.642 -2.653 17 1HB PHE 3 HB2 PHE 3 125.096 -5.903 -2.842 18 2HB PHE 3 HB1 PHE 3 124.583 -4.454 -1.982 19 HD1 PHE 3 HD2 PHE 3 126.746 -4.965 -5.013 20 HD2 PHE 3 HD1 PHE 3 123.203 -3.184 -3.362 21 HE1 PHE 3 HE2 PHE 3 126.311 -3.828 -7.173 22 HE2 PHE 3 HE1 PHE 3 122.766 -2.049 -5.522 23 HZ PHE 3 HZ PHE 3 124.320 -2.370 -7.428 24 H LEU 4 HN LEU 4 127.293 -2.679 -0.702 25 HA LEU 4 HA LEU 4 126.626 -4.210 1.765 26 1HB LEU 4 HB2 LEU 4 129.090 -4.376 1.352 27 2HB LEU 4 HB1 LEU 4 129.182 -2.615 1.396 28 HG LEU 4 HG LEU 4 128.022 -2.824 3.707 29 1HD1 LEU 4 HD13 LEU 4 128.856 -5.655 3.114 30 2HD1 LEU 4 HD12 LEU 4 128.820 -5.066 4.776 31 3HD1 LEU 4 HD11 LEU 4 127.344 -5.071 3.810 32 1HD2 LEU 4 HD21 LEU 4 130.449 -2.230 3.223 33 2HD2 LEU 4 HD23 LEU 4 130.160 -2.971 4.797 34 3HD2 LEU 4 HD22 LEU 4 130.832 -3.932 3.479 35 H TRP 5 HN TRP 5 125.084 -2.972 2.732 36 HA TRP 5 HA TRP 5 125.639 -0.112 3.177 37 1HB TRP 5 HB2 TRP 5 123.536 0.667 2.243 38 2HB TRP 5 HB1 TRP 5 124.408 -0.220 0.997 39 HD1 TRP 5 HD1 TRP 5 121.129 -0.017 2.627 40 HE1 TRP 5 HE1 TRP 5 119.665 -2.052 2.029 41 HE3 TRP 5 HE3 TRP 5 124.664 -3.081 0.565 42 HZ2 TRP 5 HZ2 TRP 5 119.950 -4.631 0.840 43 HZ3 TRP 5 HZ3 TRP 5 124.036 -5.321 -0.287 44 HH2 TRP 5 HH2 TRP 5 121.686 -6.096 -0.155 45 H ALA 6 HN ALA 6 124.140 0.821 4.797 46 HA ALA 6 HA ALA 6 123.044 -1.305 6.594 47 1HB ALA 6 HB3 ALA 6 124.074 1.468 7.276 48 2HB ALA 6 HB2 ALA 6 123.415 0.314 8.435 49 3HB ALA 6 HB1 ALA 6 124.917 -0.050 7.584 50 H GLN 7 HN GLN 7 120.962 -0.995 7.461 51 HA GLN 7 HA GLN 7 119.469 1.464 6.859 52 1HB GLN 7 HB2 GLN 7 117.670 0.239 5.642 53 2HB GLN 7 HB1 GLN 7 119.196 0.242 4.759 54 1HG GLN 7 HG2 GLN 7 118.682 -2.005 4.606 55 2HG GLN 7 HG1 GLN 7 119.570 -2.018 6.131 56 1HE2 GLN 7 HE22 GLN 7 115.518 -2.610 6.150 57 2HE2 GLN 7 HE21 GLN 7 116.283 -2.043 4.746 58 H ASP 8 HN ASP 8 117.261 1.364 7.858 59 HA ASP 8 HA ASP 8 117.280 -0.469 10.220 60 1HB ASP 8 HB2 ASP 8 115.858 1.280 11.311 61 2HB ASP 8 HB1 ASP 8 117.460 1.870 10.871 62 H ARG 9 HN ARG 9 114.718 -0.337 11.068 63 HA ARG 9 HA ARG 9 113.306 -2.065 9.297 64 1HB ARG 9 HB2 ARG 9 111.347 -1.618 10.796 65 2HB ARG 9 HB1 ARG 9 112.811 -2.055 11.677 66 1HG ARG 9 HG2 ARG 9 113.234 0.211 12.298 67 2HG ARG 9 HG1 ARG 9 112.039 0.821 11.152 68 1HD ARG 9 HD2 ARG 9 111.190 0.828 13.495 69 2HD ARG 9 HD1 ARG 9 110.230 -0.205 12.436 70 HE ARG 9 HE ARG 9 112.361 -1.663 13.776 71 1HH1 ARG 9 HH21 ARG 9 109.104 -0.428 14.098 72 2HH1 ARG 9 HH22 ARG 9 108.670 -1.601 15.292 73 1HH2 ARG 9 HH11 ARG 9 111.756 -3.162 15.323 74 2HH2 ARG 9 HH12 ARG 9 110.153 -3.133 15.979 75 H ASP 10 HN ASP 10 113.366 1.432 9.579 76 HA ASP 10 HA ASP 10 110.962 1.911 8.034 77 1HB ASP 10 HB2 ASP 10 113.345 3.749 8.414 78 2HB ASP 10 HB1 ASP 10 111.710 4.221 7.951 79 H GLY 11 HN GLY 11 114.431 1.766 7.253 80 1HA GLY 11 HA2 GLY 11 115.053 0.735 5.076 81 2HA GLY 11 HA1 GLY 11 113.661 1.556 4.370 82 H LEU 12 HN LEU 12 115.768 3.130 6.697 83 HA LEU 12 HA LEU 12 116.530 5.081 4.585 84 1HB LEU 12 HB2 LEU 12 115.477 5.818 6.790 85 2HB LEU 12 HB1 LEU 12 116.983 5.327 7.568 86 HG LEU 12 HG LEU 12 118.120 6.820 5.752 87 1HD1 LEU 12 HD12 LEU 12 115.994 7.132 4.465 88 2HD1 LEU 12 HD11 LEU 12 115.342 8.036 5.833 89 3HD1 LEU 12 HD13 LEU 12 116.737 8.657 4.949 90 1HD2 LEU 12 HD23 LEU 12 117.793 7.216 8.297 91 2HD2 LEU 12 HD22 LEU 12 118.152 8.617 7.287 92 3HD2 LEU 12 HD21 LEU 12 116.497 8.309 7.815 93 H ILE 13 HN ILE 13 118.600 5.143 3.831 94 HA ILE 13 HA ILE 13 120.610 3.400 5.181 95 HB ILE 13 HB ILE 13 121.834 3.560 2.997 96 1HG1 ILE 13 HG12 ILE 13 119.288 4.848 1.978 97 2HG1 ILE 13 HG11 ILE 13 120.726 5.780 2.397 98 1HG2 ILE 13 HG22 ILE 13 120.111 1.766 3.590 99 2HG2 ILE 13 HG21 ILE 13 118.970 2.673 2.598 100 3HG2 ILE 13 HG23 ILE 13 120.425 1.993 1.869 101 1HD1 ILE 13 HD11 ILE 13 121.033 3.429 0.569 102 2HD1 ILE 13 HD13 ILE 13 120.354 4.920 -0.083 103 3HD1 ILE 13 HD12 ILE 13 121.966 4.924 0.634 104 H GLY 14 HN GLY 14 119.958 6.698 4.171 105 1HA GLY 14 HA2 GLY 14 122.154 7.656 5.865 106 2HA GLY 14 HA1 GLY 14 122.362 7.995 4.147 107 H LYS 15 HN LYS 15 122.226 10.224 5.512 108 HA LYS 15 HA LYS 15 119.615 11.362 4.779 109 1HB LYS 15 HB2 LYS 15 119.440 10.484 7.182 110 2HB LYS 15 HB1 LYS 15 120.601 11.739 7.613 111 1HG LYS 15 HG2 LYS 15 119.111 13.473 6.788 112 2HG LYS 15 HG1 LYS 15 117.979 12.262 6.185 113 1HD LYS 15 HD2 LYS 15 117.047 12.912 8.255 114 2HD LYS 15 HD1 LYS 15 117.903 11.416 8.634 115 1HE LYS 15 HE2 LYS 15 119.669 12.545 9.691 116 2HE LYS 15 HE1 LYS 15 119.300 14.070 8.885 117 1HZ LYS 15 HZ3 LYS 15 117.400 12.809 10.765 118 2HZ LYS 15 HZ2 LYS 15 118.636 13.840 11.310 119 3HZ LYS 15 HZ1 LYS 15 117.452 14.421 10.240 120 H ASP 16 HN ASP 16 120.190 13.159 3.676 121 HA ASP 16 HA ASP 16 121.338 15.105 3.052 122 1HB ASP 16 HB2 ASP 16 121.410 15.048 6.011 123 2HB ASP 16 HB1 ASP 16 122.623 16.082 5.255 124 H GLY 17 HN GLY 17 122.720 12.432 3.056 125 1HA GLY 17 HA2 GLY 17 124.850 11.824 2.207 126 2HA GLY 17 HA1 GLY 17 125.415 13.462 2.526 127 H HIS 18 HN HIS 18 123.824 11.947 5.194 128 HA HIS 18 HA HIS 18 126.322 10.825 6.287 129 1HB HIS 18 HB2 HIS 18 126.169 12.215 8.349 130 2HB HIS 18 HB1 HIS 18 126.513 13.180 6.916 131 HD1 HIS 18 HD1 HIS 18 123.444 12.065 8.901 132 HD2 HIS 18 HD2 HIS 18 124.772 15.303 6.637 133 HE1 HIS 18 HE1 HIS 18 121.634 13.831 9.045 134 H LEU 19 HN LEU 19 125.928 9.492 8.170 135 HA LEU 19 HA LEU 19 123.337 8.199 8.131 136 1HB LEU 19 HB2 LEU 19 125.794 7.904 9.866 137 2HB LEU 19 HB1 LEU 19 124.325 6.971 10.163 138 HG LEU 19 HG LEU 19 125.486 7.041 7.395 139 1HD1 LEU 19 HD11 LEU 19 127.285 6.469 9.143 140 2HD1 LEU 19 HD13 LEU 19 126.337 5.020 9.475 141 3HD1 LEU 19 HD12 LEU 19 127.015 5.282 7.869 142 1HD2 LEU 19 HD23 LEU 19 123.906 5.051 9.052 143 2HD2 LEU 19 HD22 LEU 19 123.320 5.989 7.679 144 3HD2 LEU 19 HD21 LEU 19 124.512 4.713 7.431 145 HA PRO 20 HA PRO 20 121.387 10.721 11.273 146 1HB PRO 20 HB2 PRO 20 119.295 8.968 11.824 147 2HB PRO 20 HB1 PRO 20 119.316 10.160 10.517 148 1HG PRO 20 HG2 PRO 20 119.419 7.287 10.331 149 2HG PRO 20 HG1 PRO 20 119.294 8.479 9.031 150 1HD PRO 20 HD2 PRO 20 121.621 6.969 9.889 151 2HD PRO 20 HD1 PRO 20 121.427 8.007 8.468 152 H TRP 21 HN TRP 21 121.896 7.258 11.892 153 HA TRP 21 HA TRP 21 121.893 7.765 14.818 154 1HB TRP 21 HB2 TRP 21 122.068 5.268 14.973 155 2HB TRP 21 HB1 TRP 21 120.638 5.809 14.095 156 HD1 TRP 21 HD1 TRP 21 124.149 4.372 13.479 157 HE1 TRP 21 HE1 TRP 21 124.171 3.231 11.168 158 HE3 TRP 21 HE3 TRP 21 119.492 5.651 11.819 159 HZ2 TRP 21 HZ2 TRP 21 122.443 2.905 8.913 160 HZ3 TRP 21 HZ3 TRP 21 118.706 4.912 9.588 161 HH2 TRP 21 HH2 TRP 21 120.174 3.542 8.134 162 H HIS 22 HN HIS 22 123.706 6.305 15.943 163 HA HIS 22 HA HIS 22 126.288 6.703 14.494 164 1HB HIS 22 HB2 HIS 22 125.863 8.539 16.169 165 2HB HIS 22 HB1 HIS 22 125.843 7.308 17.432 166 HD1 HIS 22 HD1 HIS 22 128.135 9.149 15.126 167 HD2 HIS 22 HD2 HIS 22 128.394 6.085 17.942 168 HE1 HIS 22 HE1 HIS 22 130.602 8.805 15.586 169 H LEU 23 HN LEU 23 126.421 4.449 14.094 170 HA LEU 23 HA LEU 23 126.660 2.732 16.529 171 1HB LEU 23 HB2 LEU 23 124.893 2.289 14.609 172 2HB LEU 23 HB1 LEU 23 126.285 1.580 13.790 173 HG LEU 23 HG LEU 23 126.703 0.216 15.878 174 1HD1 LEU 23 HD11 LEU 23 124.157 1.622 16.624 175 2HD1 LEU 23 HD13 LEU 23 124.440 -0.015 17.215 176 3HD1 LEU 23 HD12 LEU 23 125.572 1.275 17.619 177 1HD2 LEU 23 HD21 LEU 23 125.191 -0.350 13.732 178 2HD2 LEU 23 HD23 LEU 23 125.361 -1.480 15.075 179 3HD2 LEU 23 HD22 LEU 23 123.938 -0.444 14.969 180 HA PRO 24 HA PRO 24 130.978 2.686 15.065 181 1HB PRO 24 HB2 PRO 24 131.915 1.659 17.505 182 2HB PRO 24 HB1 PRO 24 131.854 3.366 17.044 183 1HG PRO 24 HG2 PRO 24 130.312 2.027 19.040 184 2HG PRO 24 HG1 PRO 24 130.253 3.732 18.573 185 1HD PRO 24 HD2 PRO 24 128.401 1.574 17.899 186 2HD PRO 24 HD1 PRO 24 128.190 3.324 17.731 187 H ASP 25 HN ASP 25 129.157 0.107 16.617 188 HA ASP 25 HA ASP 25 131.005 -2.033 16.137 189 1HB ASP 25 HB2 ASP 25 129.004 -2.145 17.660 190 2HB ASP 25 HB1 ASP 25 127.980 -2.209 16.224 191 H ASP 26 HN ASP 26 128.421 -0.598 14.177 192 HA ASP 26 HA ASP 26 128.614 -2.551 12.044 193 1HB ASP 26 HB2 ASP 26 126.628 -1.029 12.514 194 2HB ASP 26 HB1 ASP 26 127.578 0.285 11.819 195 H LEU 27 HN LEU 27 130.226 0.478 12.801 196 HA LEU 27 HA LEU 27 131.360 1.015 10.236 197 1HB LEU 27 HB2 LEU 27 132.074 1.738 13.061 198 2HB LEU 27 HB1 LEU 27 133.225 2.083 11.769 199 HG LEU 27 HG LEU 27 130.323 2.908 11.594 200 1HD1 LEU 27 HD11 LEU 27 132.642 4.215 12.977 201 2HD1 LEU 27 HD13 LEU 27 131.461 5.230 12.149 202 3HD1 LEU 27 HD12 LEU 27 130.944 4.161 13.453 203 1HD2 LEU 27 HD23 LEU 27 132.887 3.653 10.165 204 2HD2 LEU 27 HD22 LEU 27 131.431 2.940 9.471 205 3HD2 LEU 27 HD21 LEU 27 131.413 4.613 10.030 206 H HIS 28 HN HIS 28 132.286 -1.190 12.815 207 HA HIS 28 HA HIS 28 134.936 -1.775 11.865 208 1HB HIS 28 HB2 HIS 28 133.031 -3.528 13.449 209 2HB HIS 28 HB1 HIS 28 134.768 -3.785 13.282 210 HD1 HIS 28 HD1 HIS 28 135.751 -0.879 13.635 211 HD2 HIS 28 HD2 HIS 28 132.902 -2.666 16.098 212 HE1 HIS 28 HE1 HIS 28 135.785 0.405 15.818 213 H TYR 29 HN TYR 29 131.737 -3.032 11.073 214 HA TYR 29 HA TYR 29 132.663 -5.289 9.526 215 1HB TYR 29 HB2 TYR 29 130.274 -4.733 10.483 216 2HB TYR 29 HB1 TYR 29 130.069 -3.884 8.950 217 HD1 TYR 29 HD1 TYR 29 130.793 -7.178 10.499 218 HD2 TYR 29 HD2 TYR 29 129.839 -5.073 6.878 219 HE1 TYR 29 HE1 TYR 29 130.361 -9.337 9.358 220 HE2 TYR 29 HE2 TYR 29 129.407 -7.233 5.738 221 HH TYR 29 HH TYR 29 128.672 -9.688 6.670 222 H PHE 30 HN PHE 30 132.043 -1.895 8.811 223 HA PHE 30 HA PHE 30 132.166 -2.144 5.936 224 1HB PHE 30 HB2 PHE 30 131.196 -0.180 7.183 225 2HB PHE 30 HB1 PHE 30 132.841 0.287 7.617 226 HD1 PHE 30 HD2 PHE 30 130.939 -0.774 4.554 227 HD2 PHE 30 HD1 PHE 30 133.882 1.853 6.252 228 HE1 PHE 30 HE2 PHE 30 131.203 0.350 2.358 229 HE2 PHE 30 HE1 PHE 30 134.147 2.976 4.057 230 HZ PHE 30 HZ PHE 30 132.807 2.225 2.110 231 H ARG 31 HN ARG 31 134.573 -1.379 8.444 232 HA ARG 31 HA ARG 31 136.751 -0.899 6.629 233 1HB ARG 31 HB2 ARG 31 136.602 -0.318 9.135 234 2HB ARG 31 HB1 ARG 31 137.050 -1.999 9.428 235 1HG ARG 31 HG2 ARG 31 139.008 -1.551 7.794 236 2HG ARG 31 HG1 ARG 31 138.651 0.157 8.054 237 1HD ARG 31 HD2 ARG 31 140.302 -0.384 9.680 238 2HD ARG 31 HD1 ARG 31 138.775 -0.359 10.563 239 HE ARG 31 HE ARG 31 139.117 -3.010 9.712 240 1HH1 ARG 31 HH21 ARG 31 140.844 -0.716 11.710 241 2HH1 ARG 31 HH22 ARG 31 141.530 -1.950 12.707 242 1HH2 ARG 31 HH11 ARG 31 140.028 -4.573 11.028 243 2HH2 ARG 31 HH12 ARG 31 141.075 -4.111 12.327 244 H ALA 32 HN ALA 32 135.383 -3.807 8.057 245 HA ALA 32 HA ALA 32 137.583 -5.552 7.346 246 1HB ALA 32 HB2 ALA 32 134.678 -6.114 8.005 247 2HB ALA 32 HB1 ALA 32 135.888 -7.372 7.753 248 3HB ALA 32 HB3 ALA 32 136.058 -6.243 9.097 249 H GLN 33 HN GLN 33 134.691 -4.403 5.716 250 HA GLN 33 HA GLN 33 135.244 -6.211 3.414 251 1HB GLN 33 HB2 GLN 33 132.868 -4.422 4.016 252 2HB GLN 33 HB1 GLN 33 133.018 -5.458 2.596 253 1HG GLN 33 HG2 GLN 33 133.386 -6.671 5.312 254 2HG GLN 33 HG1 GLN 33 131.750 -6.328 4.749 255 1HE2 GLN 33 HE22 GLN 33 133.071 -9.752 3.582 256 2HE2 GLN 33 HE21 GLN 33 133.218 -8.991 5.092 257 H THR 34 HN THR 34 137.054 -4.058 3.917 258 HA THR 34 HA THR 34 136.716 -2.566 1.379 259 HB THR 34 HB THR 34 137.415 -0.438 2.609 260 HG1 THR 34 HG1 THR 34 136.456 -1.912 4.829 261 1HG2 THR 34 HG23 THR 34 134.729 -1.724 3.155 262 2HG2 THR 34 HG22 THR 34 135.075 -0.016 3.429 263 3HG2 THR 34 HG21 THR 34 135.152 -0.681 1.797 264 H VAL 35 HN VAL 35 138.790 -3.133 4.232 265 HA VAL 35 HA VAL 35 141.242 -2.304 3.037 266 HB VAL 35 HB VAL 35 142.320 -3.696 4.797 267 1HG1 VAL 35 HG13 VAL 35 141.040 -1.402 5.143 268 2HG1 VAL 35 HG12 VAL 35 139.959 -2.401 6.112 269 3HG1 VAL 35 HG11 VAL 35 141.668 -2.292 6.529 270 1HG2 VAL 35 HG21 VAL 35 139.581 -4.859 4.848 271 2HG2 VAL 35 HG23 VAL 35 141.134 -5.625 5.181 272 3HG2 VAL 35 HG22 VAL 35 140.358 -4.631 6.415 273 H GLY 36 HN GLY 36 142.523 -3.275 1.535 274 1HA GLY 36 HA2 GLY 36 143.452 -4.968 0.182 275 2HA GLY 36 HA1 GLY 36 142.622 -6.160 1.184 276 H LYS 37 HN LYS 37 140.934 -3.494 -0.359 277 HA LYS 37 HA LYS 37 139.993 -5.191 -2.576 278 1HB LYS 37 HB2 LYS 37 138.131 -4.182 -0.404 279 2HB LYS 37 HB1 LYS 37 137.596 -4.861 -1.942 280 1HG LYS 37 HG2 LYS 37 138.899 -6.946 -1.385 281 2HG LYS 37 HG1 LYS 37 139.188 -6.269 0.217 282 1HD LYS 37 HD2 LYS 37 137.269 -7.562 0.573 283 2HD LYS 37 HD1 LYS 37 136.587 -5.963 0.269 284 1HE LYS 37 HE2 LYS 37 136.274 -6.567 -2.117 285 2HE LYS 37 HE1 LYS 37 136.903 -8.179 -1.778 286 1HZ LYS 37 HZ1 LYS 37 135.090 -8.289 -0.027 287 2HZ LYS 37 HZ3 LYS 37 134.407 -6.939 -0.795 288 3HZ LYS 37 HZ2 LYS 37 134.599 -8.393 -1.651 289 H ILE 38 HN ILE 38 138.087 -3.793 -3.702 290 HA ILE 38 HA ILE 38 139.222 -1.045 -3.981 291 HB ILE 38 HB ILE 38 137.401 -2.547 -5.887 292 1HG1 ILE 38 HG12 ILE 38 140.387 -2.095 -6.136 293 2HG1 ILE 38 HG11 ILE 38 139.694 -3.586 -5.497 294 1HG2 ILE 38 HG21 ILE 38 137.570 0.041 -5.885 295 2HG2 ILE 38 HG23 ILE 38 139.206 -0.208 -6.497 296 3HG2 ILE 38 HG22 ILE 38 137.820 -0.798 -7.415 297 1HD1 ILE 38 HD13 ILE 38 138.335 -3.744 -7.634 298 2HD1 ILE 38 HD12 ILE 38 139.313 -2.419 -8.264 299 3HD1 ILE 38 HD11 ILE 38 140.074 -3.953 -7.840 300 H MET 39 HN MET 39 138.080 0.146 -2.459 301 HA MET 39 HA MET 39 135.198 -0.203 -2.100 302 1HB MET 39 HB2 MET 39 136.902 0.535 -0.312 303 2HB MET 39 HB1 MET 39 136.840 2.119 -1.086 304 1HG MET 39 HG2 MET 39 134.334 2.066 -0.817 305 2HG MET 39 HG1 MET 39 134.525 0.595 0.137 306 1HE MET 39 HE1 MET 39 135.765 3.869 -0.639 307 2HE MET 39 HE3 MET 39 135.229 4.842 0.738 308 3HE MET 39 HE2 MET 39 136.888 4.255 0.663 309 H VAL 40 HN VAL 40 133.718 0.704 -3.424 310 HA VAL 40 HA VAL 40 134.536 3.047 -5.083 311 HB VAL 40 HB VAL 40 132.149 1.209 -5.440 312 1HG1 VAL 40 HG11 VAL 40 133.375 3.461 -7.022 313 2HG1 VAL 40 HG13 VAL 40 132.440 2.204 -7.832 314 3HG1 VAL 40 HG12 VAL 40 131.683 3.206 -6.592 315 1HG2 VAL 40 HG21 VAL 40 134.311 0.004 -5.674 316 2HG2 VAL 40 HG23 VAL 40 133.472 0.146 -7.218 317 3HG2 VAL 40 HG22 VAL 40 134.836 1.204 -6.855 318 H VAL 41 HN VAL 41 133.699 4.999 -4.549 319 HA VAL 41 HA VAL 41 131.097 5.085 -3.087 320 HB VAL 41 HB VAL 41 132.040 6.959 -1.711 321 1HG1 VAL 41 HG13 VAL 41 133.270 4.203 -1.593 322 2HG1 VAL 41 HG12 VAL 41 133.596 5.418 -0.357 323 3HG1 VAL 41 HG11 VAL 41 131.947 4.850 -0.623 324 1HG2 VAL 41 HG22 VAL 41 134.588 6.074 -3.094 325 2HG2 VAL 41 HG21 VAL 41 133.864 7.682 -3.117 326 3HG2 VAL 41 HG23 VAL 41 134.572 7.055 -1.627 327 H GLY 42 HN GLY 42 130.021 7.216 -3.294 328 1HA GLY 42 HA2 GLY 42 130.506 8.363 -5.980 329 2HA GLY 42 HA1 GLY 42 129.074 8.634 -4.986 330 H ARG 43 HN ARG 43 129.390 10.947 -5.430 331 HA ARG 43 HA ARG 43 131.781 12.271 -4.382 332 1HB ARG 43 HB2 ARG 43 130.197 13.018 -6.341 333 2HB ARG 43 HB1 ARG 43 129.225 13.709 -5.041 334 1HG ARG 43 HG2 ARG 43 131.134 15.016 -4.257 335 2HG ARG 43 HG1 ARG 43 132.174 14.271 -5.470 336 1HD ARG 43 HD2 ARG 43 131.585 16.279 -6.513 337 2HD ARG 43 HD1 ARG 43 130.385 15.164 -7.166 338 HE ARG 43 HE ARG 43 128.731 16.380 -6.024 339 1HH1 ARG 43 HH11 ARG 43 131.865 17.027 -4.612 340 2HH1 ARG 43 HH12 ARG 43 131.245 18.236 -3.544 341 1HH2 ARG 43 HH21 ARG 43 127.972 17.951 -4.623 342 2HH2 ARG 43 HH22 ARG 43 129.065 18.756 -3.548 343 H ARG 44 HN ARG 44 128.339 12.079 -3.451 344 HA ARG 44 HA ARG 44 128.598 13.664 -1.075 345 1HB ARG 44 HB2 ARG 44 126.577 11.808 -2.221 346 2HB ARG 44 HB1 ARG 44 126.501 12.061 -0.477 347 1HG ARG 44 HG2 ARG 44 126.458 14.511 -0.844 348 2HG ARG 44 HG1 ARG 44 126.488 14.240 -2.587 349 1HD ARG 44 HD2 ARG 44 124.377 12.890 -0.936 350 2HD ARG 44 HD1 ARG 44 124.184 14.593 -1.353 351 HE ARG 44 HE ARG 44 124.864 13.118 -3.710 352 1HH1 ARG 44 HH21 ARG 44 122.230 13.598 -1.460 353 2HH1 ARG 44 HH22 ARG 44 121.022 13.228 -2.639 354 1HH2 ARG 44 HH11 ARG 44 123.268 12.646 -5.204 355 2HH2 ARG 44 HH12 ARG 44 121.600 12.693 -4.737 356 H THR 45 HN THR 45 128.853 10.168 -1.668 357 HA THR 45 HA THR 45 129.180 9.450 1.109 358 HB THR 45 HB THR 45 130.341 7.855 -1.165 359 HG1 THR 45 HG1 THR 45 128.444 7.966 -2.048 360 1HG2 THR 45 HG21 THR 45 128.957 7.217 1.449 361 2HG2 THR 45 HG23 THR 45 129.380 5.998 0.247 362 3HG2 THR 45 HG22 THR 45 130.648 6.932 1.040 363 H TYR 46 HN TYR 46 131.423 10.307 -1.494 364 HA TYR 46 HA TYR 46 133.844 9.619 -0.124 365 1HB TYR 46 HB2 TYR 46 133.655 10.148 -2.577 366 2HB TYR 46 HB1 TYR 46 133.454 11.847 -2.144 367 HD1 TYR 46 HD2 TYR 46 135.713 9.011 -1.141 368 HD2 TYR 46 HD1 TYR 46 135.380 13.132 -2.306 369 HE1 TYR 46 HE2 TYR 46 138.174 9.259 -0.965 370 HE2 TYR 46 HE1 TYR 46 137.842 13.380 -2.129 371 HH TYR 46 HH TYR 46 139.927 11.142 -2.250 372 H GLU 47 HN GLU 47 131.888 12.580 -0.189 373 HA GLU 47 HA GLU 47 133.756 14.053 1.507 374 1HB GLU 47 HB2 GLU 47 130.960 14.595 0.498 375 2HB GLU 47 HB1 GLU 47 131.771 15.679 1.629 376 1HG GLU 47 HG2 GLU 47 133.631 15.968 0.056 377 2HG GLU 47 HG1 GLU 47 132.869 14.844 -1.071 378 H SER 48 HN SER 48 131.015 11.946 2.005 379 HA SER 48 HA SER 48 130.225 12.819 4.605 380 1HB SER 48 HB2 SER 48 129.076 11.116 3.033 381 2HB SER 48 HB1 SER 48 130.187 9.933 3.721 382 HG SER 48 HG SER 48 129.285 10.226 5.689 383 H PHE 49 HN PHE 49 132.911 10.843 3.505 384 HA PHE 49 HA PHE 49 133.575 9.674 6.046 385 1HB PHE 49 HB2 PHE 49 135.475 10.348 3.780 386 2HB PHE 49 HB1 PHE 49 135.721 9.141 5.043 387 HD1 PHE 49 HD2 PHE 49 133.314 7.647 5.258 388 HD2 PHE 49 HD1 PHE 49 135.073 9.339 1.723 389 HE1 PHE 49 HE2 PHE 49 132.145 5.957 3.867 390 HE2 PHE 49 HE1 PHE 49 133.904 7.651 0.334 391 HZ PHE 49 HZ PHE 49 132.440 5.960 1.405 392 HA PRO 50 HA PRO 50 135.499 13.149 8.073 393 1HB PRO 50 HB2 PRO 50 137.152 11.704 9.788 394 2HB PRO 50 HB1 PRO 50 135.449 12.078 10.079 395 1HG PRO 50 HG2 PRO 50 136.653 9.523 9.531 396 2HG PRO 50 HG1 PRO 50 134.970 9.888 9.934 397 1HD PRO 50 HD2 PRO 50 136.129 9.270 7.336 398 2HD PRO 50 HD1 PRO 50 134.424 9.391 7.798 399 H LYS 51 HN LYS 51 137.906 10.531 7.603 400 HA LYS 51 HA LYS 51 139.877 12.606 6.761 401 1HB LYS 51 HB2 LYS 51 140.314 10.873 8.669 402 2HB LYS 51 HB1 LYS 51 140.552 9.731 7.349 403 1HG LYS 51 HG2 LYS 51 142.670 10.482 7.171 404 2HG LYS 51 HG1 LYS 51 142.019 12.017 6.601 405 1HD LYS 51 HD2 LYS 51 142.187 11.425 9.551 406 2HD LYS 51 HD1 LYS 51 143.589 12.040 8.676 407 1HE LYS 51 HE2 LYS 51 142.600 14.090 8.253 408 2HE LYS 51 HE1 LYS 51 140.967 13.429 8.296 409 1HZ LYS 51 HZ3 LYS 51 142.685 13.577 10.702 410 2HZ LYS 51 HZ2 LYS 51 141.649 14.843 10.245 411 3HZ LYS 51 HZ1 LYS 51 141.011 13.315 10.626 412 H ARG 52 HN ARG 52 139.917 12.835 4.572 413 HA ARG 52 HA ARG 52 139.672 10.359 2.911 414 1HB ARG 52 HB2 ARG 52 138.976 13.204 2.116 415 2HB ARG 52 HB1 ARG 52 138.733 11.755 1.139 416 1HG ARG 52 HG2 ARG 52 136.880 11.112 2.309 417 2HG ARG 52 HG1 ARG 52 137.534 11.670 3.849 418 1HD ARG 52 HD2 ARG 52 136.677 13.628 1.720 419 2HD ARG 52 HD1 ARG 52 135.516 12.961 2.868 420 HE ARG 52 HE ARG 52 137.716 13.919 4.368 421 1HH1 ARG 52 HH11 ARG 52 135.207 15.174 2.281 422 2HH1 ARG 52 HH12 ARG 52 135.173 16.708 3.077 423 1HH2 ARG 52 HH21 ARG 52 137.639 15.918 5.368 424 2HH2 ARG 52 HH22 ARG 52 136.535 17.128 4.806 425 HA PRO 53 HA PRO 53 140.050 9.667 0.939 426 1HB PRO 53 HB2 PRO 53 142.085 8.118 -0.192 427 2HB PRO 53 HB1 PRO 53 141.102 9.315 -1.047 428 1HG PRO 53 HG2 PRO 53 143.895 9.439 -0.427 429 2HG PRO 53 HG1 PRO 53 142.912 10.621 -1.301 430 1HD PRO 53 HD2 PRO 53 143.854 10.697 1.470 431 2HD PRO 53 HD1 PRO 53 143.190 12.004 0.475 432 H LEU 54 HN LEU 54 139.806 7.409 1.582 433 HA LEU 54 HA LEU 54 140.904 6.841 4.197 434 1HB LEU 54 HB2 LEU 54 139.303 5.116 2.289 435 2HB LEU 54 HB1 LEU 54 139.668 4.685 3.960 436 HG LEU 54 HG LEU 54 138.307 7.288 3.253 437 1HD1 LEU 54 HD12 LEU 54 137.098 5.117 2.460 438 2HD1 LEU 54 HD11 LEU 54 136.831 4.831 4.180 439 3HD1 LEU 54 HD13 LEU 54 136.187 6.286 3.417 440 1HD2 LEU 54 HD22 LEU 54 139.403 6.871 5.519 441 2HD2 LEU 54 HD21 LEU 54 137.692 7.293 5.572 442 3HD2 LEU 54 HD23 LEU 54 138.192 5.614 5.774 443 HA PRO 55 HA PRO 55 144.576 4.767 2.558 444 1HB PRO 55 HB2 PRO 55 145.636 4.207 5.080 445 2HB PRO 55 HB1 PRO 55 145.926 5.679 4.143 446 1HG PRO 55 HG2 PRO 55 144.437 5.375 6.584 447 2HG PRO 55 HG1 PRO 55 144.821 6.859 5.699 448 1HD PRO 55 HD2 PRO 55 142.310 5.397 5.796 449 2HD PRO 55 HD1 PRO 55 142.645 6.996 5.114 450 H GLU 56 HN GLU 56 145.678 2.590 3.033 451 HA GLU 56 HA GLU 56 145.519 0.260 3.209 452 1HB GLU 56 HB2 GLU 56 143.944 1.304 5.498 453 2HB GLU 56 HB1 GLU 56 143.623 -0.371 5.047 454 1HG GLU 56 HG2 GLU 56 145.403 -0.571 6.570 455 2HG GLU 56 HG1 GLU 56 146.216 -0.612 5.005 456 H ARG 57 HN ARG 57 143.776 1.771 1.336 457 HA ARG 57 HA ARG 57 142.209 -0.401 0.353 458 1HB ARG 57 HB2 ARG 57 139.934 0.536 0.750 459 2HB ARG 57 HB1 ARG 57 140.735 0.062 2.249 460 1HG ARG 57 HG2 ARG 57 141.552 2.531 2.328 461 2HG ARG 57 HG1 ARG 57 140.266 2.833 1.161 462 1HD ARG 57 HD2 ARG 57 138.953 3.085 3.001 463 2HD ARG 57 HD1 ARG 57 138.948 1.322 3.032 464 HE ARG 57 HE ARG 57 141.244 2.398 4.431 465 1HH1 ARG 57 HH11 ARG 57 137.816 1.757 4.713 466 2HH1 ARG 57 HH12 ARG 57 137.880 1.634 6.436 467 1HH2 ARG 57 HH21 ARG 57 141.278 2.232 6.663 468 2HH2 ARG 57 HH22 ARG 57 139.816 1.899 7.530 469 H THR 58 HN THR 58 141.462 0.056 -1.738 470 HA THR 58 HA THR 58 142.486 2.547 -2.917 471 HB THR 58 HB THR 58 140.953 0.312 -4.273 472 HG1 THR 58 HG1 THR 58 142.757 -0.570 -3.325 473 1HG2 THR 58 HG22 THR 58 142.744 2.553 -5.224 474 2HG2 THR 58 HG21 THR 58 142.357 1.158 -6.231 475 3HG2 THR 58 HG23 THR 58 141.071 2.233 -5.683 476 H ASN 59 HN ASN 59 141.247 4.338 -3.128 477 HA ASN 59 HA ASN 59 138.309 4.098 -2.771 478 1HB ASN 59 HB2 ASN 59 140.156 6.504 -2.801 479 2HB ASN 59 HB1 ASN 59 138.409 6.594 -2.573 480 1HD2 ASN 59 HD22 ASN 59 140.736 5.049 0.443 481 2HD2 ASN 59 HD21 ASN 59 141.355 5.112 -1.136 482 H VAL 60 HN VAL 60 136.881 4.545 -4.418 483 HA VAL 60 HA VAL 60 138.026 5.545 -6.994 484 HB VAL 60 HB VAL 60 135.862 3.440 -6.707 485 1HG1 VAL 60 HG12 VAL 60 135.929 4.965 -8.763 486 2HG1 VAL 60 HG11 VAL 60 137.474 4.208 -9.148 487 3HG1 VAL 60 HG13 VAL 60 136.008 3.232 -9.081 488 1HG2 VAL 60 HG21 VAL 60 138.069 2.604 -5.951 489 2HG2 VAL 60 HG23 VAL 60 137.587 1.851 -7.471 490 3HG2 VAL 60 HG22 VAL 60 138.787 3.144 -7.469 491 H VAL 61 HN VAL 61 137.187 7.589 -7.089 492 HA VAL 61 HA VAL 61 134.454 8.136 -6.132 493 HB VAL 61 HB VAL 61 136.417 9.999 -7.501 494 1HG1 VAL 61 HG11 VAL 61 133.867 10.389 -5.923 495 2HG1 VAL 61 HG13 VAL 61 135.029 11.692 -6.168 496 3HG1 VAL 61 HG12 VAL 61 134.230 10.949 -7.555 497 1HG2 VAL 61 HG22 VAL 61 136.048 9.185 -4.618 498 2HG2 VAL 61 HG21 VAL 61 137.543 9.293 -5.547 499 3HG2 VAL 61 HG23 VAL 61 136.714 10.763 -5.036 500 H LEU 62 HN LEU 62 132.840 7.531 -7.496 501 HA LEU 62 HA LEU 62 133.264 7.759 -10.432 502 1HB LEU 62 HB2 LEU 62 132.367 5.624 -9.469 503 2HB LEU 62 HB1 LEU 62 130.946 6.515 -8.924 504 HG LEU 62 HG LEU 62 130.852 7.293 -11.448 505 1HD1 LEU 62 HD13 LEU 62 132.721 4.965 -11.420 506 2HD1 LEU 62 HD12 LEU 62 131.541 5.049 -12.728 507 3HD1 LEU 62 HD11 LEU 62 132.690 6.365 -12.491 508 1HD2 LEU 62 HD22 LEU 62 129.200 5.865 -10.153 509 2HD2 LEU 62 HD21 LEU 62 129.283 5.515 -11.880 510 3HD2 LEU 62 HD23 LEU 62 130.086 4.452 -10.724 511 H THR 63 HN THR 63 132.837 9.842 -11.062 512 HA THR 63 HA THR 63 130.147 10.932 -10.376 513 HB THR 63 HB THR 63 131.709 12.106 -8.926 514 HG1 THR 63 HG1 THR 63 130.148 13.406 -9.870 515 1HG2 THR 63 HG21 THR 63 133.300 12.315 -11.470 516 2HG2 THR 63 HG23 THR 63 133.520 13.503 -10.186 517 3HG2 THR 63 HG22 THR 63 133.831 11.796 -9.869 518 H HIS 64 HN HIS 64 129.548 12.732 -11.940 519 HA HIS 64 HA HIS 64 130.470 11.973 -14.665 520 1HB HIS 64 HB2 HIS 64 127.991 11.996 -14.007 521 2HB HIS 64 HB1 HIS 64 128.126 13.754 -13.975 522 HD1 HIS 64 HD1 HIS 64 127.630 14.854 -16.150 523 HD2 HIS 64 HD2 HIS 64 129.010 10.958 -16.694 524 HE1 HIS 64 HE1 HIS 64 127.567 14.413 -18.644 525 H GLN 65 HN GLN 65 132.137 13.639 -12.974 526 HA GLN 65 HA GLN 65 132.225 16.061 -14.705 527 1HB GLN 65 HB2 GLN 65 131.204 16.297 -12.229 528 2HB GLN 65 HB1 GLN 65 132.917 16.418 -11.827 529 1HG GLN 65 HG2 GLN 65 133.171 18.423 -12.907 530 2HG GLN 65 HG1 GLN 65 132.001 18.014 -14.161 531 1HE2 GLN 65 HE22 GLN 65 130.705 19.786 -10.698 532 2HE2 GLN 65 HE21 GLN 65 132.265 19.122 -10.770 533 H GLU 66 HN GLU 66 134.274 16.448 -15.424 534 HA GLU 66 HA GLU 66 136.466 14.785 -14.294 535 1HB GLU 66 HB2 GLU 66 137.690 15.477 -16.368 536 2HB GLU 66 HB1 GLU 66 136.189 14.612 -16.701 537 1HG GLU 66 HG2 GLU 66 135.048 16.587 -17.315 538 2HG GLU 66 HG1 GLU 66 136.249 17.623 -16.544 539 H ASP 67 HN ASP 67 135.422 17.252 -12.991 540 HA ASP 67 HA ASP 67 137.850 18.986 -13.189 541 1HB ASP 67 HB2 ASP 67 135.046 19.589 -12.201 542 2HB ASP 67 HB1 ASP 67 136.403 20.709 -12.059 543 H TYR 68 HN TYR 68 135.799 17.119 -11.030 544 HA TYR 68 HA TYR 68 136.893 17.996 -8.541 545 1HB TYR 68 HB2 TYR 68 134.820 16.545 -8.912 546 2HB TYR 68 HB1 TYR 68 135.926 15.188 -9.125 547 HD1 TYR 68 HD1 TYR 68 134.599 17.665 -6.741 548 HD2 TYR 68 HD2 TYR 68 137.247 14.324 -7.266 549 HE1 TYR 68 HE1 TYR 68 134.788 17.429 -4.280 550 HE2 TYR 68 HE2 TYR 68 137.436 14.088 -4.804 551 HH TYR 68 HH TYR 68 136.431 16.475 -2.647 552 H GLN 69 HN GLN 69 139.080 17.998 -8.240 553 HA GLN 69 HA GLN 69 140.728 15.788 -9.308 554 1HB GLN 69 HB2 GLN 69 141.360 18.406 -7.934 555 2HB GLN 69 HB1 GLN 69 142.600 17.191 -8.243 556 1HG GLN 69 HG2 GLN 69 141.724 17.222 -10.685 557 2HG GLN 69 HG1 GLN 69 140.960 18.747 -10.237 558 1HE2 GLN 69 HE22 GLN 69 145.072 18.562 -10.320 559 2HE2 GLN 69 HE21 GLN 69 144.185 17.134 -10.087 560 H ALA 70 HN ALA 70 140.971 13.993 -8.083 561 HA ALA 70 HA ALA 70 140.491 14.117 -5.170 562 1HB ALA 70 HB1 ALA 70 140.800 11.911 -7.192 563 2HB ALA 70 HB3 ALA 70 140.994 11.559 -5.474 564 3HB ALA 70 HB2 ALA 70 139.470 12.214 -6.074 565 H GLN 71 HN GLN 71 142.108 14.027 -3.665 566 HA GLN 71 HA GLN 71 144.904 13.910 -4.678 567 1HB GLN 71 HB2 GLN 71 143.833 14.792 -1.978 568 2HB GLN 71 HB1 GLN 71 145.510 14.916 -2.515 569 1HG GLN 71 HG2 GLN 71 145.021 16.583 -4.086 570 2HG GLN 71 HG1 GLN 71 143.311 16.156 -4.150 571 1HE2 GLN 71 HE22 GLN 71 142.653 18.803 -1.920 572 2HE2 GLN 71 HE21 GLN 71 142.305 18.064 -3.409 573 H GLY 72 HN GLY 72 145.216 11.660 -4.841 574 1HA GLY 72 HA2 GLY 72 146.323 9.850 -3.589 575 2HA GLY 72 HA1 GLY 72 145.266 10.218 -2.225 576 H ALA 73 HN ALA 73 142.896 10.522 -3.984 577 HA ALA 73 HA ALA 73 142.297 7.628 -4.272 578 1HB ALA 73 HB1 ALA 73 140.816 9.394 -3.025 579 2HB ALA 73 HB3 ALA 73 140.286 9.833 -4.649 580 3HB ALA 73 HB2 ALA 73 140.035 8.192 -4.053 581 H VAL 74 HN VAL 74 141.048 6.948 -6.220 582 HA VAL 74 HA VAL 74 142.186 8.220 -8.643 583 HB VAL 74 HB VAL 74 140.561 5.671 -8.399 584 1HG1 VAL 74 HG11 VAL 74 142.329 6.827 -10.575 585 2HG1 VAL 74 HG13 VAL 74 141.697 5.180 -10.589 586 3HG1 VAL 74 HG12 VAL 74 140.589 6.550 -10.660 587 1HG2 VAL 74 HG23 VAL 74 142.689 5.647 -7.065 588 2HG2 VAL 74 HG22 VAL 74 142.691 4.491 -8.398 589 3HG2 VAL 74 HG21 VAL 74 143.573 6.011 -8.547 590 H VAL 75 HN VAL 75 140.756 8.644 -10.501 591 HA VAL 75 HA VAL 75 137.931 9.213 -9.696 592 HB VAL 75 HB VAL 75 139.656 10.947 -11.491 593 1HG1 VAL 75 HG13 VAL 75 137.107 10.878 -11.787 594 2HG1 VAL 75 HG12 VAL 75 137.010 11.603 -10.182 595 3HG1 VAL 75 HG11 VAL 75 137.818 12.464 -11.491 596 1HG2 VAL 75 HG23 VAL 75 138.862 11.239 -8.578 597 2HG2 VAL 75 HG22 VAL 75 140.498 11.115 -9.226 598 3HG2 VAL 75 HG21 VAL 75 139.528 12.554 -9.547 599 H VAL 76 HN VAL 76 136.431 8.443 -11.121 600 HA VAL 76 HA VAL 76 137.358 7.674 -13.856 601 HB VAL 76 HB VAL 76 135.863 5.669 -13.677 602 1HG1 VAL 76 HG13 VAL 76 138.055 5.890 -11.589 603 2HG1 VAL 76 HG12 VAL 76 137.397 4.379 -12.221 604 3HG1 VAL 76 HG11 VAL 76 138.286 5.468 -13.287 605 1HG2 VAL 76 HG22 VAL 76 134.658 6.874 -11.639 606 2HG2 VAL 76 HG21 VAL 76 134.759 5.114 -11.709 607 3HG2 VAL 76 HG23 VAL 76 135.884 6.023 -10.700 608 H HIS 77 HN HIS 77 135.575 7.578 -15.438 609 HA HIS 77 HA HIS 77 133.122 9.054 -14.608 610 1HB HIS 77 HB2 HIS 77 134.746 9.686 -17.090 611 2HB HIS 77 HB1 HIS 77 133.272 10.500 -16.568 612 HD1 HIS 77 HD1 HIS 77 133.827 10.910 -13.601 613 HD2 HIS 77 HD2 HIS 77 136.698 11.584 -16.548 614 HE1 HIS 77 HE1 HIS 77 135.523 12.501 -12.598 615 H ASP 78 HN ASP 78 133.492 6.237 -15.119 616 HA ASP 78 HA ASP 78 131.312 5.761 -16.912 617 1HB ASP 78 HB2 ASP 78 132.587 4.569 -18.709 618 2HB ASP 78 HB1 ASP 78 132.897 6.305 -18.679 619 H VAL 79 HN VAL 79 130.502 3.739 -16.492 620 HA VAL 79 HA VAL 79 131.589 2.168 -14.365 621 HB VAL 79 HB VAL 79 129.631 1.268 -16.500 622 1HG1 VAL 79 HG12 VAL 79 130.271 0.342 -13.689 623 2HG1 VAL 79 HG11 VAL 79 128.795 -0.122 -14.537 624 3HG1 VAL 79 HG13 VAL 79 130.368 -0.595 -15.181 625 1HG2 VAL 79 HG23 VAL 79 129.298 2.924 -13.996 626 2HG2 VAL 79 HG22 VAL 79 128.692 3.257 -15.618 627 3HG2 VAL 79 HG21 VAL 79 127.962 1.976 -14.651 628 H ALA 80 HN ALA 80 132.013 2.056 -17.849 629 HA ALA 80 HA ALA 80 133.097 -0.578 -18.074 630 1HB ALA 80 HB3 ALA 80 132.412 0.913 -19.991 631 2HB ALA 80 HB2 ALA 80 133.883 1.846 -19.717 632 3HB ALA 80 HB1 ALA 80 133.990 0.153 -20.200 633 H ALA 81 HN ALA 81 134.590 2.545 -17.290 634 HA ALA 81 HA ALA 81 137.302 1.530 -17.251 635 1HB ALA 81 HB1 ALA 81 135.978 4.014 -16.151 636 2HB ALA 81 HB3 ALA 81 137.685 3.672 -15.869 637 3HB ALA 81 HB2 ALA 81 137.088 3.881 -17.515 638 H VAL 82 HN VAL 82 134.767 1.975 -14.811 639 HA VAL 82 HA VAL 82 136.359 1.351 -12.517 640 HB VAL 82 HB VAL 82 133.407 0.778 -12.918 641 1HG1 VAL 82 HG12 VAL 82 135.159 1.197 -10.481 642 2HG1 VAL 82 HG11 VAL 82 133.396 1.220 -10.424 643 3HG1 VAL 82 HG13 VAL 82 134.244 -0.250 -10.905 644 1HG2 VAL 82 HG23 VAL 82 134.949 3.297 -12.522 645 2HG2 VAL 82 HG22 VAL 82 133.405 3.041 -13.335 646 3HG2 VAL 82 HG21 VAL 82 133.472 3.117 -11.575 647 H PHE 83 HN PHE 83 134.646 -0.676 -14.852 648 HA PHE 83 HA PHE 83 135.112 -3.141 -13.355 649 1HB PHE 83 HB2 PHE 83 133.921 -2.402 -15.992 650 2HB PHE 83 HB1 PHE 83 134.512 -4.052 -15.800 651 HD1 PHE 83 HD2 PHE 83 133.911 -5.007 -13.279 652 HD2 PHE 83 HD1 PHE 83 131.659 -2.131 -15.539 653 HE1 PHE 83 HE2 PHE 83 131.873 -5.589 -11.991 654 HE2 PHE 83 HE1 PHE 83 129.622 -2.714 -14.251 655 HZ PHE 83 HZ PHE 83 129.728 -4.443 -12.477 656 H ALA 84 HN ALA 84 136.696 -1.377 -15.964 657 HA ALA 84 HA ALA 84 138.484 -3.442 -16.813 658 1HB ALA 84 HB1 ALA 84 138.033 -1.203 -17.960 659 2HB ALA 84 HB3 ALA 84 139.124 -0.485 -16.777 660 3HB ALA 84 HB2 ALA 84 139.721 -1.708 -17.899 661 H TYR 85 HN TYR 85 138.668 -1.050 -14.208 662 HA TYR 85 HA TYR 85 141.407 -1.648 -13.486 663 1HB TYR 85 HB2 TYR 85 140.153 0.463 -12.877 664 2HB TYR 85 HB1 TYR 85 139.243 -0.492 -11.707 665 HD1 TYR 85 HD2 TYR 85 142.800 0.122 -12.746 666 HD2 TYR 85 HD1 TYR 85 140.055 -0.620 -9.527 667 HE1 TYR 85 HE2 TYR 85 144.652 0.355 -11.114 668 HE2 TYR 85 HE1 TYR 85 141.907 -0.387 -7.895 669 HH TYR 85 HH TYR 85 144.977 -0.658 -8.548 670 H ALA 86 HN ALA 86 138.240 -2.853 -12.457 671 HA ALA 86 HA ALA 86 139.338 -4.507 -10.319 672 1HB ALA 86 HB3 ALA 86 136.631 -4.491 -11.686 673 2HB ALA 86 HB2 ALA 86 137.031 -5.496 -10.292 674 3HB ALA 86 HB1 ALA 86 137.038 -3.739 -10.144 675 H LYS 87 HN LYS 87 138.340 -5.001 -13.684 676 HA LYS 87 HA LYS 87 138.630 -7.865 -13.678 677 1HB LYS 87 HB2 LYS 87 137.389 -6.552 -15.421 678 2HB LYS 87 HB1 LYS 87 138.943 -5.970 -16.023 679 1HG LYS 87 HG2 LYS 87 139.574 -8.495 -16.146 680 2HG LYS 87 HG1 LYS 87 137.833 -8.768 -16.070 681 1HD LYS 87 HD2 LYS 87 137.465 -7.456 -18.059 682 2HD LYS 87 HD1 LYS 87 139.143 -6.912 -18.073 683 1HE LYS 87 HE2 LYS 87 139.954 -9.037 -18.697 684 2HE LYS 87 HE1 LYS 87 138.465 -9.846 -18.209 685 1HZ LYS 87 HZ3 LYS 87 138.582 -7.868 -20.412 686 2HZ LYS 87 HZ2 LYS 87 138.770 -9.537 -20.659 687 3HZ LYS 87 HZ1 LYS 87 137.313 -8.926 -20.035 688 H GLN 88 HN GLN 88 140.862 -5.189 -14.237 689 HA GLN 88 HA GLN 88 143.031 -6.841 -15.221 690 1HB GLN 88 HB2 GLN 88 142.722 -4.012 -14.297 691 2HB GLN 88 HB1 GLN 88 144.349 -4.691 -14.359 692 1HG GLN 88 HG2 GLN 88 143.755 -5.464 -16.739 693 2HG GLN 88 HG1 GLN 88 142.375 -4.372 -16.622 694 1HE2 GLN 88 HE22 GLN 88 144.405 -1.683 -17.621 695 2HE2 GLN 88 HE21 GLN 88 142.926 -2.502 -17.762 696 H HIS 89 HN HIS 89 141.907 -5.855 -12.043 697 HA HIS 89 HA HIS 89 144.268 -7.215 -10.817 698 1HB HIS 89 HB2 HIS 89 142.294 -5.299 -9.534 699 2HB HIS 89 HB1 HIS 89 143.746 -5.960 -8.782 700 HD1 HIS 89 HD1 HIS 89 145.454 -4.149 -8.708 701 HD2 HIS 89 HD2 HIS 89 143.357 -4.124 -12.311 702 HE1 HIS 89 HE1 HIS 89 146.500 -2.335 -10.133 703 HA PRO 90 HA PRO 90 140.742 -10.276 -10.514 704 1HB PRO 90 HB2 PRO 90 142.791 -12.257 -10.095 705 2HB PRO 90 HB1 PRO 90 141.697 -12.083 -11.473 706 1HG PRO 90 HG2 PRO 90 144.499 -11.454 -11.311 707 2HG PRO 90 HG1 PRO 90 143.432 -11.409 -12.720 708 1HD PRO 90 HD2 PRO 90 144.536 -9.191 -11.384 709 2HD PRO 90 HD1 PRO 90 143.262 -9.159 -12.612 710 H ASP 91 HN ASP 91 143.753 -10.088 -8.609 711 HA ASP 91 HA ASP 91 142.764 -11.425 -6.284 712 1HB ASP 91 HB2 ASP 91 144.891 -9.276 -6.538 713 2HB ASP 91 HB1 ASP 91 144.631 -10.272 -5.106 714 H GLN 92 HN GLN 92 142.533 -8.077 -7.374 715 HA GLN 92 HA GLN 92 141.277 -7.238 -4.834 716 1HB GLN 92 HB2 GLN 92 141.823 -5.717 -7.403 717 2HB GLN 92 HB1 GLN 92 141.177 -5.004 -5.924 718 1HG GLN 92 HG2 GLN 92 143.768 -6.551 -5.907 719 2HG GLN 92 HG1 GLN 92 143.730 -4.835 -6.316 720 1HE2 GLN 92 HE22 GLN 92 143.367 -3.804 -2.967 721 2HE2 GLN 92 HE21 GLN 92 143.618 -3.358 -4.586 722 H GLU 93 HN GLU 93 139.094 -7.123 -4.549 723 HA GLU 93 HA GLU 93 137.365 -7.800 -6.879 724 1HB GLU 93 HB2 GLU 93 137.120 -8.119 -3.909 725 2HB GLU 93 HB1 GLU 93 135.647 -7.982 -4.868 726 1HG GLU 93 HG2 GLU 93 137.800 -9.876 -5.756 727 2HG GLU 93 HG1 GLU 93 136.716 -10.353 -4.448 728 H LEU 94 HN LEU 94 135.127 -6.679 -6.754 729 HA LEU 94 HA LEU 94 135.608 -3.767 -6.346 730 1HB LEU 94 HB2 LEU 94 134.846 -4.701 -8.606 731 2HB LEU 94 HB1 LEU 94 133.298 -5.038 -7.830 732 HG LEU 94 HG LEU 94 133.384 -2.552 -7.076 733 1HD1 LEU 94 HD12 LEU 94 135.486 -2.663 -9.247 734 2HD1 LEU 94 HD11 LEU 94 134.625 -1.177 -8.851 735 3HD1 LEU 94 HD13 LEU 94 135.626 -1.967 -7.634 736 1HD2 LEU 94 HD21 LEU 94 132.978 -3.401 -9.960 737 2HD2 LEU 94 HD23 LEU 94 131.755 -3.334 -8.691 738 3HD2 LEU 94 HD22 LEU 94 132.459 -1.843 -9.315 739 H VAL 95 HN VAL 95 134.440 -2.647 -4.832 740 HA VAL 95 HA VAL 95 132.208 -4.102 -3.466 741 HB VAL 95 HB VAL 95 134.151 -2.159 -2.184 742 1HG1 VAL 95 HG12 VAL 95 131.814 -2.380 -1.225 743 2HG1 VAL 95 HG11 VAL 95 132.181 -4.077 -0.913 744 3HG1 VAL 95 HG13 VAL 95 133.113 -2.812 -0.112 745 1HG2 VAL 95 HG21 VAL 95 134.028 -5.190 -2.118 746 2HG2 VAL 95 HG23 VAL 95 135.330 -4.207 -2.790 747 3HG2 VAL 95 HG22 VAL 95 135.035 -4.212 -1.050 748 H ILE 96 HN ILE 96 130.348 -2.906 -3.092 749 HA ILE 96 HA ILE 96 130.349 -0.113 -4.164 750 HB ILE 96 HB ILE 96 127.983 -1.989 -3.898 751 1HG1 ILE 96 HG12 ILE 96 129.628 -2.909 -5.493 752 2HG1 ILE 96 HG11 ILE 96 128.198 -2.323 -6.339 753 1HG2 ILE 96 HG23 ILE 96 127.561 0.492 -3.956 754 2HG2 ILE 96 HG22 ILE 96 128.330 0.533 -5.542 755 3HG2 ILE 96 HG21 ILE 96 126.845 -0.387 -5.307 756 1HD1 ILE 96 HD12 ILE 96 129.934 -0.104 -6.185 757 2HD1 ILE 96 HD11 ILE 96 130.955 -1.474 -6.620 758 3HD1 ILE 96 HD13 ILE 96 129.562 -1.062 -7.618 759 H ALA 97 HN ALA 97 130.320 1.337 -2.521 760 HA ALA 97 HA ALA 97 129.031 0.587 0.052 761 1HB ALA 97 HB3 ALA 97 131.341 1.487 0.125 762 2HB ALA 97 HB2 ALA 97 130.775 2.971 -0.640 763 3HB ALA 97 HB1 ALA 97 130.208 2.540 0.973 764 H GLY 98 HN GLY 98 128.986 3.150 -2.425 765 1HA GLY 98 HA2 GLY 98 126.303 3.622 -2.627 766 2HA GLY 98 HA1 GLY 98 126.712 4.497 -1.151 767 H GLY 99 HN GLY 99 127.154 7.081 -3.705 768 1HA GLY 99 HA2 GLY 99 125.383 5.953 -1.656 769 2HA GLY 99 HA1 GLY 99 125.076 7.403 -2.613 770 H ALA 100 HN ALA 100 122.970 6.808 -3.235 771 HA ALA 100 HA ALA 100 122.285 4.234 -4.322 772 1HB ALA 100 HB1 ALA 100 120.603 5.805 -3.407 773 2HB ALA 100 HB3 ALA 100 120.928 6.916 -4.738 774 3HB ALA 100 HB2 ALA 100 120.213 5.335 -5.062 775 H GLN 101 HN GLN 101 123.587 7.183 -5.719 776 HA GLN 101 HA GLN 101 123.029 6.648 -8.468 777 1HB GLN 101 HB2 GLN 101 124.053 8.769 -7.289 778 2HB GLN 101 HB1 GLN 101 125.591 7.968 -7.619 779 1HG GLN 101 HG2 GLN 101 125.260 8.024 -9.951 780 2HG GLN 101 HG1 GLN 101 123.525 8.291 -9.789 781 1HE2 GLN 101 HE21 GLN 101 126.243 9.906 -10.699 782 2HE2 GLN 101 HE22 GLN 101 125.827 11.481 -10.226 783 H ILE 102 HN ILE 102 125.496 5.429 -6.284 784 HA ILE 102 HA ILE 102 127.024 4.164 -8.456 785 HB ILE 102 HB ILE 102 127.277 3.764 -5.462 786 1HG1 ILE 102 HG12 ILE 102 127.509 6.152 -6.043 787 2HG1 ILE 102 HG11 ILE 102 129.065 5.471 -5.575 788 1HG2 ILE 102 HG22 ILE 102 128.369 2.057 -6.890 789 2HG2 ILE 102 HG21 ILE 102 129.242 3.338 -7.734 790 3HG2 ILE 102 HG23 ILE 102 129.553 3.037 -6.024 791 1HD1 ILE 102 HD13 ILE 102 129.631 5.166 -7.978 792 2HD1 ILE 102 HD12 ILE 102 128.098 5.920 -8.416 793 3HD1 ILE 102 HD11 ILE 102 129.335 6.857 -7.578 794 H PHE 103 HN PHE 103 124.703 3.229 -5.952 795 HA PHE 103 HA PHE 103 124.908 0.392 -6.324 796 1HB PHE 103 HB2 PHE 103 122.729 2.193 -5.259 797 2HB PHE 103 HB1 PHE 103 122.508 0.449 -5.377 798 HD1 PHE 103 HD1 PHE 103 124.988 -0.747 -4.633 799 HD2 PHE 103 HD2 PHE 103 123.176 2.815 -3.059 800 HE1 PHE 103 HE1 PHE 103 126.231 -1.054 -2.511 801 HE2 PHE 103 HE2 PHE 103 124.422 2.510 -0.937 802 HZ PHE 103 HZ PHE 103 125.949 0.574 -0.662 803 H THR 104 HN THR 104 123.132 2.918 -8.007 804 HA THR 104 HA THR 104 121.435 1.109 -9.517 805 HB THR 104 HB THR 104 122.220 3.940 -10.255 806 HG1 THR 104 HG1 THR 104 120.112 3.033 -8.591 807 1HG2 THR 104 HG21 THR 104 120.947 2.411 -11.877 808 2HG2 THR 104 HG23 THR 104 119.611 2.497 -10.728 809 3HG2 THR 104 HG22 THR 104 120.201 3.966 -11.505 810 H ALA 105 HN ALA 105 124.605 2.578 -10.001 811 HA ALA 105 HA ALA 105 124.879 1.942 -12.787 812 1HB ALA 105 HB2 ALA 105 126.343 3.462 -11.209 813 2HB ALA 105 HB1 ALA 105 127.238 1.969 -10.929 814 3HB ALA 105 HB3 ALA 105 127.100 2.621 -12.561 815 H PHE 106 HN PHE 106 125.821 0.193 -9.827 816 HA PHE 106 HA PHE 106 126.446 -2.190 -11.514 817 1HB PHE 106 HB2 PHE 106 127.128 -1.643 -8.607 818 2HB PHE 106 HB1 PHE 106 127.655 -3.037 -9.550 819 HD1 PHE 106 HD2 PHE 106 129.329 -2.812 -11.319 820 HD2 PHE 106 HD1 PHE 106 128.051 0.585 -9.021 821 HE1 PHE 106 HE2 PHE 106 131.258 -1.507 -12.173 822 HE2 PHE 106 HE1 PHE 106 129.979 1.889 -9.875 823 HZ PHE 106 HZ PHE 106 131.583 0.843 -11.451 824 H LYS 107 HN LYS 107 123.720 -1.443 -11.018 825 HA LYS 107 HA LYS 107 122.672 -3.066 -8.832 826 1HB LYS 107 HB2 LYS 107 121.546 -1.003 -9.768 827 2HB LYS 107 HB1 LYS 107 121.162 -1.946 -11.208 828 1HG LYS 107 HG2 LYS 107 120.149 -3.665 -9.539 829 2HG LYS 107 HG1 LYS 107 120.168 -2.327 -8.390 830 1HD LYS 107 HD2 LYS 107 118.634 -1.068 -9.624 831 2HD LYS 107 HD1 LYS 107 118.997 -1.918 -11.126 832 1HE LYS 107 HE2 LYS 107 118.022 -4.006 -9.987 833 2HE LYS 107 HE1 LYS 107 117.380 -2.901 -8.772 834 1HZ LYS 107 HZ3 LYS 107 116.305 -1.659 -10.584 835 2HZ LYS 107 HZ2 LYS 107 116.843 -2.829 -11.691 836 3HZ LYS 107 HZ1 LYS 107 115.744 -3.255 -10.468 837 H ASP 108 HN ASP 108 123.237 -3.487 -12.282 838 HA ASP 108 HA ASP 108 121.963 -6.179 -12.168 839 1HB ASP 108 HB2 ASP 108 122.840 -4.421 -14.472 840 2HB ASP 108 HB1 ASP 108 122.322 -6.094 -14.687 841 H ASP 109 HN ASP 109 124.496 -5.690 -10.852 842 HA ASP 109 HA ASP 109 126.066 -7.802 -12.146 843 1HB ASP 109 HB2 ASP 109 127.013 -4.940 -11.997 844 2HB ASP 109 HB1 ASP 109 128.161 -6.280 -12.023 845 H VAL 110 HN VAL 110 124.814 -7.998 -9.754 846 HA VAL 110 HA VAL 110 127.084 -7.911 -7.824 847 HB VAL 110 HB VAL 110 125.587 -6.010 -7.327 848 1HG1 VAL 110 HG11 VAL 110 123.477 -8.178 -7.144 849 2HG1 VAL 110 HG13 VAL 110 123.255 -6.539 -6.532 850 3HG1 VAL 110 HG12 VAL 110 123.505 -6.809 -8.256 851 1HG2 VAL 110 HG23 VAL 110 125.453 -8.324 -5.370 852 2HG2 VAL 110 HG22 VAL 110 126.669 -7.047 -5.424 853 3HG2 VAL 110 HG21 VAL 110 125.010 -6.666 -4.962 854 H ASP 111 HN ASP 111 127.032 -9.613 -6.256 855 HA ASP 111 HA ASP 111 125.017 -11.757 -6.790 856 1HB ASP 111 HB2 ASP 111 128.003 -12.053 -6.348 857 2HB ASP 111 HB1 ASP 111 126.866 -13.402 -6.352 858 H THR 112 HN THR 112 127.425 -10.498 -4.475 859 HA THR 112 HA THR 112 125.972 -11.837 -2.260 860 HB THR 112 HB THR 112 128.437 -10.122 -1.962 861 HG1 THR 112 HG1 THR 112 128.315 -12.872 -2.644 862 1HG2 THR 112 HG21 THR 112 127.323 -12.520 -0.480 863 2HG2 THR 112 HG23 THR 112 128.839 -11.707 -0.089 864 3HG2 THR 112 HG22 THR 112 127.308 -10.848 0.082 865 H LEU 113 HN LEU 113 124.463 -10.720 -1.146 866 HA LEU 113 HA LEU 113 124.500 -7.735 -1.321 867 1HB LEU 113 HB2 LEU 113 122.246 -9.717 -0.926 868 2HB LEU 113 HB1 LEU 113 122.047 -7.987 -0.651 869 HG LEU 113 HG LEU 113 123.197 -9.020 -3.239 870 1HD1 LEU 113 HD13 LEU 113 120.889 -10.031 -2.638 871 2HD1 LEU 113 HD12 LEU 113 120.271 -8.392 -2.850 872 3HD1 LEU 113 HD11 LEU 113 121.046 -9.223 -4.199 873 1HD2 LEU 113 HD22 LEU 113 123.159 -6.536 -2.343 874 2HD2 LEU 113 HD21 LEU 113 122.763 -6.869 -4.029 875 3HD2 LEU 113 HD23 LEU 113 121.473 -6.590 -2.859 876 H LEU 114 HN LEU 114 125.722 -7.186 0.483 877 HA LEU 114 HA LEU 114 125.057 -8.435 3.094 878 1HB LEU 114 HB2 LEU 114 127.269 -6.563 2.208 879 2HB LEU 114 HB1 LEU 114 127.032 -7.053 3.886 880 HG LEU 114 HG LEU 114 127.111 -9.219 1.840 881 1HD1 LEU 114 HD13 LEU 114 129.461 -7.503 2.638 882 2HD1 LEU 114 HD12 LEU 114 129.680 -9.193 2.184 883 3HD1 LEU 114 HD11 LEU 114 128.997 -8.050 1.027 884 1HD2 LEU 114 HD23 LEU 114 128.029 -8.795 4.690 885 2HD2 LEU 114 HD22 LEU 114 126.793 -9.904 4.099 886 3HD2 LEU 114 HD21 LEU 114 128.494 -10.222 3.765 887 H VAL 115 HN VAL 115 123.679 -7.420 4.467 888 HA VAL 115 HA VAL 115 123.464 -4.456 4.354 889 HB VAL 115 HB VAL 115 121.653 -5.355 2.933 890 1HG1 VAL 115 HG13 VAL 115 121.524 -7.564 4.153 891 2HG1 VAL 115 HG12 VAL 115 120.642 -6.732 5.434 892 3HG1 VAL 115 HG11 VAL 115 119.960 -6.827 3.810 893 1HG2 VAL 115 HG21 VAL 115 121.401 -3.396 4.707 894 2HG2 VAL 115 HG23 VAL 115 120.004 -3.968 3.798 895 3HG2 VAL 115 HG22 VAL 115 120.263 -4.517 5.454 896 H THR 116 HN THR 116 122.892 -3.515 6.350 897 HA THR 116 HA THR 116 122.925 -5.401 8.671 898 HB THR 116 HB THR 116 123.559 -2.452 8.809 899 HG1 THR 116 HG1 THR 116 125.749 -3.117 8.586 900 1HG2 THR 116 HG21 THR 116 124.150 -4.889 10.496 901 2HG2 THR 116 HG23 THR 116 124.979 -3.350 10.730 902 3HG2 THR 116 HG22 THR 116 123.232 -3.453 10.951 903 H ARG 117 HN ARG 117 120.888 -5.680 9.439 904 HA ARG 117 HA ARG 117 118.849 -3.585 9.081 905 1HB ARG 117 HB2 ARG 117 118.776 -6.371 10.265 906 2HB ARG 117 HB1 ARG 117 117.377 -5.298 10.242 907 1HG ARG 117 HG2 ARG 117 117.389 -5.209 7.834 908 2HG ARG 117 HG1 ARG 117 118.937 -6.051 7.758 909 1HD ARG 117 HD2 ARG 117 117.928 -8.070 8.692 910 2HD ARG 117 HD1 ARG 117 116.387 -7.235 8.894 911 HE ARG 117 HE ARG 117 117.407 -8.355 6.416 912 1HH1 ARG 117 HH11 ARG 117 115.419 -5.824 7.787 913 2HH1 ARG 117 HH12 ARG 117 114.470 -5.656 6.351 914 1HH2 ARG 117 HH21 ARG 117 116.153 -8.101 4.580 915 2HH2 ARG 117 HH22 ARG 117 114.879 -6.929 4.555 916 H LEU 118 HN LEU 118 118.249 -2.161 10.647 917 HA LEU 118 HA LEU 118 119.488 -2.474 13.344 918 1HB LEU 118 HB2 LEU 118 118.836 -0.163 11.608 919 2HB LEU 118 HB1 LEU 118 118.484 0.066 13.322 920 HG LEU 118 HG LEU 118 120.894 -0.989 13.625 921 1HD1 LEU 118 HD12 LEU 118 120.863 0.066 10.791 922 2HD1 LEU 118 HD11 LEU 118 122.351 -0.074 11.728 923 3HD1 LEU 118 HD13 LEU 118 121.405 -1.515 11.355 924 1HD2 LEU 118 HD23 LEU 118 119.950 1.414 14.065 925 2HD2 LEU 118 HD22 LEU 118 121.696 1.190 13.967 926 3HD2 LEU 118 HD21 LEU 118 120.809 1.835 12.585 927 H ALA 119 HN ALA 119 117.927 -1.102 14.989 928 HA ALA 119 HA ALA 119 115.202 -2.302 14.674 929 1HB ALA 119 HB2 ALA 119 116.861 -1.894 17.179 930 2HB ALA 119 HB1 ALA 119 115.167 -2.389 17.186 931 3HB ALA 119 HB3 ALA 119 116.389 -3.434 16.462 932 H GLY 120 HN GLY 120 117.065 0.412 16.032 933 1HA GLY 120 HA2 GLY 120 114.826 1.979 16.871 934 2HA GLY 120 HA1 GLY 120 116.424 2.623 16.492 935 H SER 121 HN SER 121 113.711 3.664 15.788 936 HA SER 121 HA SER 121 113.597 3.345 12.854 937 1HB SER 121 HB2 SER 121 111.460 3.435 13.952 938 2HB SER 121 HB1 SER 121 111.910 4.885 14.843 939 HG SER 121 HG SER 121 111.043 4.577 12.241 940 H PHE 122 HN PHE 122 113.990 5.061 11.392 941 HA PHE 122 HA PHE 122 115.000 7.627 12.462 942 1HB PHE 122 HB2 PHE 122 116.657 5.873 10.623 943 2HB PHE 122 HB1 PHE 122 117.095 7.483 11.194 944 HD1 PHE 122 HD2 PHE 122 117.576 7.876 13.605 945 HD2 PHE 122 HD1 PHE 122 116.867 3.939 12.041 946 HE1 PHE 122 HE2 PHE 122 118.548 6.884 15.660 947 HE2 PHE 122 HE1 PHE 122 117.839 2.946 14.096 948 HZ PHE 122 HZ PHE 122 118.680 4.420 15.905 949 H GLU 123 HN GLU 123 114.628 9.316 11.031 950 HA GLU 123 HA GLU 123 113.335 8.569 8.441 951 1HB GLU 123 HB2 GLU 123 112.275 10.841 8.589 952 2HB GLU 123 HB1 GLU 123 111.814 9.768 9.911 953 1HG GLU 123 HG2 GLU 123 113.322 10.842 11.430 954 2HG GLU 123 HG1 GLU 123 114.107 11.730 10.124 955 H GLY 124 HN GLY 124 114.053 9.569 6.546 956 1HA GLY 124 HA2 GLY 124 115.947 11.775 6.568 957 2HA GLY 124 HA1 GLY 124 116.725 10.235 6.199 958 H ASP 125 HN ASP 125 117.129 11.358 4.075 959 HA ASP 125 HA ASP 125 114.732 11.211 2.290 960 1HB ASP 125 HB2 ASP 125 116.022 13.437 2.577 961 2HB ASP 125 HB1 ASP 125 117.291 12.665 1.627 962 H THR 126 HN THR 126 118.141 10.330 2.662 963 HA THR 126 HA THR 126 118.280 8.937 0.106 964 HB THR 126 HB THR 126 120.121 8.486 2.457 965 HG1 THR 126 HG1 THR 126 120.216 10.623 2.330 966 1HG2 THR 126 HG23 THR 126 120.283 8.258 -0.539 967 2HG2 THR 126 HG22 THR 126 121.746 8.446 0.428 968 3HG2 THR 126 HG21 THR 126 120.690 7.055 0.684 969 H LYS 127 HN LYS 127 117.357 6.990 -0.263 970 HA LYS 127 HA LYS 127 117.121 5.076 2.024 971 1HB LYS 127 HB2 LYS 127 115.064 5.847 -0.050 972 2HB LYS 127 HB1 LYS 127 114.980 4.302 0.798 973 1HG LYS 127 HG2 LYS 127 114.853 5.409 2.943 974 2HG LYS 127 HG1 LYS 127 115.162 6.981 2.203 975 1HD LYS 127 HD2 LYS 127 113.047 6.588 0.822 976 2HD LYS 127 HD1 LYS 127 112.705 5.243 1.911 977 1HE LYS 127 HE2 LYS 127 112.720 6.745 3.835 978 2HE LYS 127 HE1 LYS 127 113.179 8.101 2.805 979 1HZ LYS 127 HZ3 LYS 127 111.095 7.712 1.548 980 2HZ LYS 127 HZ2 LYS 127 110.645 6.561 2.714 981 3HZ LYS 127 HZ1 LYS 127 110.841 8.190 3.156 982 H MET 128 HN MET 128 116.925 2.781 1.249 983 HA MET 128 HA MET 128 118.884 2.282 -0.867 984 1HB MET 128 HB2 MET 128 118.718 0.924 1.256 985 2HB MET 128 HB1 MET 128 117.199 0.266 0.644 986 1HG MET 128 HG2 MET 128 118.938 -1.294 0.049 987 2HG MET 128 HG1 MET 128 118.457 -0.459 -1.428 988 1HE MET 128 HE3 MET 128 120.440 -1.355 -2.483 989 2HE MET 128 HE2 MET 128 122.114 -0.865 -2.230 990 3HE MET 128 HE1 MET 128 121.362 -2.013 -1.124 991 H ILE 129 HN ILE 129 118.459 1.300 -2.873 992 HA ILE 129 HA ILE 129 115.875 1.829 -4.046 993 HB ILE 129 HB ILE 129 116.821 0.610 -6.023 994 1HG1 ILE 129 HG12 ILE 129 119.371 0.372 -4.426 995 2HG1 ILE 129 HG11 ILE 129 118.185 -0.934 -4.430 996 1HG2 ILE 129 HG22 ILE 129 118.493 2.715 -4.633 997 2HG2 ILE 129 HG21 ILE 129 118.819 2.176 -6.281 998 3HG2 ILE 129 HG23 ILE 129 117.284 2.953 -5.895 999 1HD1 ILE 129 HD12 ILE 129 119.396 0.286 -6.927 1000 2HD1 ILE 129 HD11 ILE 129 119.942 -1.219 -6.186 1001 3HD1 ILE 129 HD13 ILE 129 118.315 -1.106 -6.858 1002 HA PRO 130 HA PRO 130 113.807 -2.055 -3.380 1003 1HB PRO 130 HB2 PRO 130 112.415 -2.236 -5.799 1004 2HB PRO 130 HB1 PRO 130 111.897 -1.327 -4.373 1005 1HG PRO 130 HG2 PRO 130 112.741 -0.307 -6.913 1006 2HG PRO 130 HG1 PRO 130 112.186 0.596 -5.495 1007 1HD PRO 130 HD2 PRO 130 114.913 0.201 -6.473 1008 2HD PRO 130 HD1 PRO 130 114.311 1.353 -5.269 1009 H LEU 131 HN LEU 131 115.150 -3.834 -3.414 1010 HA LEU 131 HA LEU 131 116.108 -4.821 -6.065 1011 1HB LEU 131 HB2 LEU 131 117.069 -5.450 -3.256 1012 2HB LEU 131 HB1 LEU 131 117.733 -6.154 -4.731 1013 HG LEU 131 HG LEU 131 117.557 -3.171 -4.519 1014 1HD1 LEU 131 HD12 LEU 131 118.607 -4.197 -2.388 1015 2HD1 LEU 131 HD11 LEU 131 119.927 -4.700 -3.443 1016 3HD1 LEU 131 HD13 LEU 131 119.551 -2.987 -3.258 1017 1HD2 LEU 131 HD22 LEU 131 119.309 -5.219 -5.885 1018 2HD2 LEU 131 HD21 LEU 131 118.308 -3.968 -6.624 1019 3HD2 LEU 131 HD23 LEU 131 119.789 -3.525 -5.774 1020 H ASN 132 HN ASN 132 115.929 -7.132 -6.482 1021 HA ASN 132 HA ASN 132 113.423 -8.250 -5.418 1022 1HB ASN 132 HB2 ASN 132 114.318 -8.325 -7.886 1023 2HB ASN 132 HB1 ASN 132 115.249 -9.707 -7.309 1024 1HD2 ASN 132 HD22 ASN 132 112.443 -11.760 -7.867 1025 2HD2 ASN 132 HD21 ASN 132 114.102 -11.499 -8.112 1026 H TRP 133 HN TRP 133 113.610 -9.209 -3.441 1027 HA TRP 133 HA TRP 133 116.083 -10.627 -2.692 1028 1HB TRP 133 HB2 TRP 133 113.492 -10.249 -1.164 1029 2HB TRP 133 HB1 TRP 133 114.996 -10.890 -0.502 1030 HD1 TRP 133 HD1 TRP 133 113.437 -7.659 -1.829 1031 HE1 TRP 133 HE1 TRP 133 114.864 -5.665 -1.032 1032 HE3 TRP 133 HE3 TRP 133 117.349 -10.166 0.289 1033 HZ2 TRP 133 HZ2 TRP 133 117.339 -5.197 0.324 1034 HZ3 TRP 133 HZ3 TRP 133 119.226 -8.922 1.324 1035 HH2 TRP 133 HH2 TRP 133 119.226 -6.443 1.346 1036 H ASP 134 HN ASP 134 113.657 -11.554 -4.647 1037 HA ASP 134 HA ASP 134 112.952 -14.115 -3.424 1038 1HB ASP 134 HB2 ASP 134 112.474 -12.905 -6.157 1039 2HB ASP 134 HB1 ASP 134 111.953 -14.536 -5.734 1040 H ASP 135 HN ASP 135 115.341 -12.906 -5.697 1041 HA ASP 135 HA ASP 135 116.222 -15.671 -6.329 1042 1HB ASP 135 HB2 ASP 135 116.945 -12.951 -7.436 1043 2HB ASP 135 HB1 ASP 135 117.849 -14.407 -7.853 1044 H PHE 136 HN PHE 136 116.574 -14.808 -3.639 1045 HA PHE 136 HA PHE 136 119.503 -15.082 -3.431 1046 1HB PHE 136 HB2 PHE 136 117.983 -12.729 -2.272 1047 2HB PHE 136 HB1 PHE 136 119.619 -13.175 -1.788 1048 HD1 PHE 136 HD2 PHE 136 121.501 -12.989 -3.365 1049 HD2 PHE 136 HD1 PHE 136 117.530 -11.767 -4.458 1050 HE1 PHE 136 HE2 PHE 136 122.415 -11.769 -5.322 1051 HE2 PHE 136 HE1 PHE 136 118.444 -10.547 -6.414 1052 HZ PHE 136 HZ PHE 136 120.886 -10.548 -6.845 1053 H THR 137 HN THR 137 120.149 -15.712 -1.237 1054 HA THR 137 HA THR 137 117.909 -16.496 0.560 1055 HB THR 137 HB THR 137 120.160 -18.417 -0.027 1056 HG1 THR 137 HG1 THR 137 119.170 -18.143 -1.983 1057 1HG2 THR 137 HG21 THR 137 117.359 -18.680 1.095 1058 2HG2 THR 137 HG23 THR 137 118.432 -20.041 0.772 1059 3HG2 THR 137 HG22 THR 137 118.872 -18.841 1.987 1060 H LYS 138 HN LYS 138 118.524 -16.624 2.766 1061 HA LYS 138 HA LYS 138 120.973 -15.124 3.425 1062 1HB LYS 138 HB2 LYS 138 118.623 -14.843 4.511 1063 2HB LYS 138 HB1 LYS 138 119.049 -16.284 5.434 1064 1HG LYS 138 HG2 LYS 138 120.736 -15.213 6.596 1065 2HG LYS 138 HG1 LYS 138 121.056 -14.073 5.288 1066 1HD LYS 138 HD2 LYS 138 120.001 -12.863 7.107 1067 2HD LYS 138 HD1 LYS 138 118.846 -12.986 5.780 1068 1HE LYS 138 HE2 LYS 138 117.508 -13.646 7.557 1069 2HE LYS 138 HE1 LYS 138 118.136 -15.209 7.034 1070 1HZ LYS 138 HZ3 LYS 138 119.467 -13.562 9.103 1071 2HZ LYS 138 HZ2 LYS 138 118.290 -14.728 9.477 1072 3HZ LYS 138 HZ1 LYS 138 119.744 -15.193 8.732 1073 H VAL 139 HN VAL 139 122.839 -16.104 4.035 1074 HA VAL 139 HA VAL 139 122.716 -19.000 4.775 1075 HB VAL 139 HB VAL 139 125.112 -19.057 4.035 1076 1HG1 VAL 139 HG12 VAL 139 123.146 -19.612 2.534 1077 2HG1 VAL 139 HG11 VAL 139 123.263 -17.972 1.895 1078 3HG1 VAL 139 HG13 VAL 139 124.603 -19.099 1.681 1079 1HG2 VAL 139 HG22 VAL 139 125.475 -16.587 4.397 1080 2HG2 VAL 139 HG21 VAL 139 126.034 -17.169 2.829 1081 3HG2 VAL 139 HG23 VAL 139 124.511 -16.290 2.951 1082 H SER 140 HN SER 140 123.927 -15.829 5.683 1083 HA SER 140 HA SER 140 124.756 -16.988 8.311 1084 1HB SER 140 HB2 SER 140 126.641 -16.227 6.625 1085 2HB SER 140 HB1 SER 140 126.193 -14.613 7.168 1086 HG SER 140 HG SER 140 126.893 -16.802 8.842 1087 H SER 141 HN SER 141 124.522 -15.501 10.107 1088 HA SER 141 HA SER 141 123.413 -12.854 9.773 1089 1HB SER 141 HB2 SER 141 121.415 -14.151 9.139 1090 2HB SER 141 HB1 SER 141 121.520 -15.060 10.644 1091 HG SER 141 HG SER 141 121.216 -12.242 10.414 1092 H ARG 142 HN ARG 142 124.352 -11.879 11.491 1093 HA ARG 142 HA ARG 142 124.447 -13.374 14.083 1094 1HB ARG 142 HB2 ARG 142 126.636 -12.660 12.762 1095 2HB ARG 142 HB1 ARG 142 126.304 -11.096 13.505 1096 1HG ARG 142 HG2 ARG 142 127.622 -12.096 15.144 1097 2HG ARG 142 HG1 ARG 142 126.005 -12.536 15.694 1098 1HD ARG 142 HD2 ARG 142 127.075 -14.604 15.756 1099 2HD ARG 142 HD1 ARG 142 126.370 -14.634 14.140 1100 HE ARG 142 HE ARG 142 128.547 -14.561 13.252 1101 1HH1 ARG 142 HH21 ARG 142 128.585 -13.534 16.596 1102 2HH1 ARG 142 HH22 ARG 142 130.311 -13.452 16.654 1103 1HH2 ARG 142 HH11 ARG 142 130.778 -14.443 13.375 1104 2HH2 ARG 142 HH12 ARG 142 131.540 -13.959 14.852 1105 H THR 143 HN THR 143 123.357 -12.435 15.745 1106 HA THR 143 HA THR 143 122.156 -9.763 15.304 1107 HB THR 143 HB THR 143 121.710 -11.588 17.674 1108 HG1 THR 143 HG1 THR 143 120.885 -12.904 16.275 1109 1HG2 THR 143 HG23 THR 143 120.146 -9.365 16.347 1110 2HG2 THR 143 HG22 THR 143 119.458 -10.435 17.568 1111 3HG2 THR 143 HG21 THR 143 120.812 -9.382 17.980 1112 H VAL 144 HN VAL 144 122.765 -7.964 16.456 1113 HA VAL 144 HA VAL 144 124.701 -8.338 18.701 1114 HB VAL 144 HB VAL 144 124.894 -6.194 16.565 1115 1HG1 VAL 144 HG13 VAL 144 125.766 -5.764 18.940 1116 2HG1 VAL 144 HG12 VAL 144 126.952 -7.029 18.616 1117 3HG1 VAL 144 HG11 VAL 144 126.931 -5.567 17.630 1118 1HG2 VAL 144 HG21 VAL 144 125.396 -8.485 15.702 1119 2HG2 VAL 144 HG23 VAL 144 126.820 -7.445 15.722 1120 3HG2 VAL 144 HG22 VAL 144 126.604 -8.668 16.974 1121 H GLU 145 HN GLU 145 124.247 -7.087 20.473 1122 HA GLU 145 HA GLU 145 122.174 -4.952 20.156 1123 1HB GLU 145 HB2 GLU 145 121.507 -7.175 21.347 1124 2HB GLU 145 HB1 GLU 145 122.485 -6.563 22.681 1125 1HG GLU 145 HG2 GLU 145 121.110 -4.651 22.961 1126 2HG GLU 145 HG1 GLU 145 120.343 -4.873 21.388 1127 H ASP 146 HN ASP 146 122.657 -3.011 21.134 1128 HA ASP 146 HA ASP 146 125.306 -2.822 22.480 1129 1HB ASP 146 HB2 ASP 146 124.313 -1.332 20.442 1130 2HB ASP 146 HB1 ASP 146 123.784 -0.359 21.814 1131 H THR 147 HN THR 147 124.994 -0.532 23.961 1132 HA THR 147 HA THR 147 123.691 -1.468 26.330 1133 HB THR 147 HB THR 147 124.121 0.794 27.212 1134 HG1 THR 147 HG1 THR 147 124.926 1.389 24.560 1135 1HG2 THR 147 HG23 THR 147 126.356 -0.254 25.452 1136 2HG2 THR 147 HG22 THR 147 126.560 0.847 26.815 1137 3HG2 THR 147 HG21 THR 147 125.991 -0.800 27.089 1138 H ASN 148 HN ASN 148 122.623 0.597 23.679 1139 HA ASN 148 HA ASN 148 120.002 0.985 25.051 1140 1HB ASN 148 HB2 ASN 148 121.254 2.366 22.659 1141 2HB ASN 148 HB1 ASN 148 119.609 2.672 23.221 1142 1HD2 ASN 148 HD22 ASN 148 121.010 5.196 25.271 1143 2HD2 ASN 148 HD21 ASN 148 119.984 4.844 23.966 1144 HA PRO 149 HA PRO 149 117.991 -1.772 22.193 1145 1HB PRO 149 HB2 PRO 149 115.488 -0.526 22.131 1146 2HB PRO 149 HB1 PRO 149 116.034 -1.691 23.344 1147 1HG PRO 149 HG2 PRO 149 115.510 1.108 23.679 1148 2HG PRO 149 HG1 PRO 149 116.008 -0.071 24.900 1149 1HD PRO 149 HD2 PRO 149 117.611 1.961 23.550 1150 2HD PRO 149 HD1 PRO 149 118.008 0.988 24.976 1151 H ALA 150 HN ALA 150 117.708 1.694 21.559 1152 HA ALA 150 HA ALA 150 116.762 1.429 18.841 1153 1HB ALA 150 HB2 ALA 150 116.540 3.507 20.228 1154 2HB ALA 150 HB1 ALA 150 118.282 3.741 20.079 1155 3HB ALA 150 HB3 ALA 150 117.259 3.799 18.644 1156 H LEU 151 HN LEU 151 119.898 1.153 20.327 1157 HA LEU 151 HA LEU 151 121.275 1.486 17.721 1158 1HB LEU 151 HB2 LEU 151 122.292 1.100 20.548 1159 2HB LEU 151 HB1 LEU 151 123.348 1.157 19.136 1160 HG LEU 151 HG LEU 151 121.358 3.350 19.747 1161 1HD1 LEU 151 HD13 LEU 151 123.177 2.860 21.564 1162 2HD1 LEU 151 HD12 LEU 151 124.295 3.538 20.380 1163 3HD1 LEU 151 HD11 LEU 151 122.963 4.516 20.997 1164 1HD2 LEU 151 HD23 LEU 151 123.874 3.183 18.055 1165 2HD2 LEU 151 HD22 LEU 151 122.218 3.258 17.452 1166 3HD2 LEU 151 HD21 LEU 151 122.915 4.645 18.291 1167 H THR 152 HN THR 152 119.487 -0.797 18.149 1168 HA THR 152 HA THR 152 121.334 -3.096 18.445 1169 HB THR 152 HB THR 152 118.366 -3.157 17.841 1170 HG1 THR 152 HG1 THR 152 118.115 -2.491 19.798 1171 1HG2 THR 152 HG23 THR 152 120.388 -5.147 18.884 1172 2HG2 THR 152 HG22 THR 152 118.649 -5.391 19.052 1173 3HG2 THR 152 HG21 THR 152 119.373 -5.281 17.448 1174 H HIS 153 HN HIS 153 122.036 -4.296 16.704 1175 HA HIS 153 HA HIS 153 120.770 -3.823 14.054 1176 1HB HIS 153 HB2 HIS 153 123.051 -3.625 13.031 1177 2HB HIS 153 HB1 HIS 153 122.647 -2.280 14.096 1178 HD1 HIS 153 HD1 HIS 153 123.539 -2.664 16.697 1179 HD2 HIS 153 HD2 HIS 153 125.457 -4.812 13.683 1180 HE1 HIS 153 HE1 HIS 153 125.753 -3.428 17.661 1181 H THR 154 HN THR 154 121.358 -5.504 12.473 1182 HA THR 154 HA THR 154 122.531 -7.974 13.648 1183 HB THR 154 HB THR 154 119.919 -7.949 12.106 1184 HG1 THR 154 HG1 THR 154 118.943 -7.791 13.955 1185 1HG2 THR 154 HG22 THR 154 121.664 -9.973 12.273 1186 2HG2 THR 154 HG21 THR 154 120.843 -10.209 13.816 1187 3HG2 THR 154 HG23 THR 154 119.921 -10.240 12.311 1188 H TYR 155 HN TYR 155 124.086 -8.647 12.265 1189 HA TYR 155 HA TYR 155 124.334 -7.564 9.589 1190 1HB TYR 155 HB2 TYR 155 125.790 -9.831 10.983 1191 2HB TYR 155 HB1 TYR 155 126.242 -9.177 9.409 1192 HD1 TYR 155 HD1 TYR 155 126.228 -6.425 9.450 1193 HD2 TYR 155 HD2 TYR 155 127.041 -9.027 12.769 1194 HE1 TYR 155 HE1 TYR 155 127.494 -4.607 10.565 1195 HE2 TYR 155 HE2 TYR 155 128.306 -7.209 13.884 1196 HH TYR 155 HH TYR 155 128.314 -4.653 13.792 1197 H GLU 156 HN GLU 156 123.634 -8.434 7.681 1198 HA GLU 156 HA GLU 156 122.525 -11.210 7.737 1199 1HB GLU 156 HB2 GLU 156 121.308 -8.672 6.672 1200 2HB GLU 156 HB1 GLU 156 120.891 -10.224 5.944 1201 1HG GLU 156 HG2 GLU 156 119.272 -10.119 7.595 1202 2HG GLU 156 HG1 GLU 156 120.558 -10.933 8.486 1203 H VAL 157 HN VAL 157 123.884 -12.372 6.463 1204 HA VAL 157 HA VAL 157 125.159 -11.070 4.120 1205 HB VAL 157 HB VAL 157 125.604 -13.851 5.246 1206 1HG1 VAL 157 HG11 VAL 157 126.979 -12.137 3.179 1207 2HG1 VAL 157 HG13 VAL 157 127.849 -13.418 4.022 1208 3HG1 VAL 157 HG12 VAL 157 126.439 -13.810 3.038 1209 1HG2 VAL 157 HG21 VAL 157 126.945 -11.195 5.812 1210 2HG2 VAL 157 HG23 VAL 157 126.217 -12.306 6.971 1211 3HG2 VAL 157 HG22 VAL 157 127.720 -12.740 6.158 1212 H TRP 158 HN TRP 158 123.514 -11.009 2.570 1213 HA TRP 158 HA TRP 158 121.949 -13.439 1.997 1214 1HB TRP 158 HB2 TRP 158 121.981 -10.645 0.836 1215 2HB TRP 158 HB1 TRP 158 121.004 -11.942 0.145 1216 HD1 TRP 158 HD1 TRP 158 121.440 -9.946 3.403 1217 HE1 TRP 158 HE1 TRP 158 119.232 -10.061 4.729 1218 HE3 TRP 158 HE3 TRP 158 118.821 -13.215 0.480 1219 HZ2 TRP 158 HZ2 TRP 158 116.692 -11.366 4.571 1220 HZ3 TRP 158 HZ3 TRP 158 116.512 -13.876 1.091 1221 HH2 TRP 158 HH2 TRP 158 115.445 -12.957 3.131 1222 H GLN 159 HN GLN 159 122.180 -14.695 0.129 1223 HA GLN 159 HA GLN 159 124.461 -14.012 -1.676 1224 1HB GLN 159 HB2 GLN 159 123.950 -16.540 -0.138 1225 2HB GLN 159 HB1 GLN 159 124.737 -16.638 -1.714 1226 1HG GLN 159 HG2 GLN 159 126.271 -14.735 -0.787 1227 2HG GLN 159 HG1 GLN 159 125.694 -15.274 0.791 1228 1HE2 GLN 159 HE22 GLN 159 128.253 -17.705 0.749 1229 2HE2 GLN 159 HE21 GLN 159 127.559 -16.380 1.550 1230 H LYS 160 HN LYS 160 124.263 -14.966 -3.822 1231 HA LYS 160 HA LYS 160 121.441 -15.229 -4.650 1232 1HB LYS 160 HB2 LYS 160 123.237 -13.841 -5.874 1233 2HB LYS 160 HB1 LYS 160 123.860 -15.386 -6.453 1234 1HG LYS 160 HG2 LYS 160 121.351 -15.820 -7.121 1235 2HG LYS 160 HG1 LYS 160 121.234 -14.061 -7.051 1236 1HD LYS 160 HD2 LYS 160 122.941 -13.790 -8.708 1237 2HD LYS 160 HD1 LYS 160 123.386 -15.494 -8.621 1238 1HE LYS 160 HE2 LYS 160 120.833 -15.841 -9.271 1239 2HE LYS 160 HE1 LYS 160 121.021 -14.218 -9.935 1240 1HZ LYS 160 HZ2 LYS 160 123.000 -15.039 -11.134 1241 2HZ LYS 160 HZ1 LYS 160 122.649 -16.610 -10.592 1242 3HZ LYS 160 HZ3 LYS 160 121.563 -15.805 -11.616 1243 H LYS 161 HN LYS 161 120.624 -17.082 -5.740 1244 HA LYS 161 HA LYS 161 121.856 -19.606 -4.914 1245 1HB LYS 161 HB2 LYS 161 119.313 -18.836 -6.330 1246 2HB LYS 161 HB1 LYS 161 119.840 -20.518 -6.301 1247 1HG LYS 161 HG2 LYS 161 119.576 -20.709 -4.003 1248 2HG LYS 161 HG1 LYS 161 119.807 -18.982 -3.730 1249 1HD LYS 161 HD2 LYS 161 117.415 -19.968 -5.269 1250 2HD LYS 161 HD1 LYS 161 117.402 -19.963 -3.504 1251 1HE LYS 161 HE2 LYS 161 117.623 -17.622 -3.385 1252 2HE LYS 161 HE1 LYS 161 118.218 -17.503 -5.041 1253 1HZ LYS 161 HZ3 LYS 161 115.502 -18.501 -4.445 1254 2HZ LYS 161 HZ2 LYS 161 115.818 -16.839 -4.604 1255 3HZ LYS 161 HZ1 LYS 161 116.106 -17.891 -5.908 1256 H ALA 162 HN ALA 162 121.920 -21.406 -6.682 1257 HA ALA 162 HA ALA 162 122.669 -20.440 -9.364 1258 1HB ALA 162 HB1 ALA 162 124.648 -21.703 -7.452 1259 2HB ALA 162 HB3 ALA 162 124.898 -21.664 -9.196 1260 3HB ALA 162 HB2 ALA 162 124.794 -20.157 -8.286 1261 1HN2 MTX 170 1HN2 MTX 170 128.541 -2.141 8.522 1262 2HN2 MTX 170 2HN2 MTX 170 128.445 -2.729 6.932 1263 1HN4 MTX 170 1HN4 MTX 170 128.711 0.191 3.227 1264 2HN4 MTX 170 2HN4 MTX 170 128.908 1.859 3.472 1265 H7 MTX 170 H7 MTX 170 129.335 4.777 8.576 1266 1H9 MTX 170 H91 MTX 170 128.425 5.943 5.581 1267 2H9 MTX 170 H92 MTX 170 130.106 5.601 5.154 1268 1HM MTX 170 HM1 MTX 170 128.016 7.563 6.782 1269 2HM MTX 170 HM2 MTX 170 129.443 8.598 7.086 1270 3HM MTX 170 HM3 MTX 170 128.764 7.600 8.406 1271 H12 MTX 170 H13 MTX 170 132.789 7.125 10.466 1272 H13 MTX 170 H12 MTX 170 130.527 7.344 9.434 1273 H15 MTX 170 H16 MTX 170 132.019 5.496 5.804 1274 H16 MTX 170 H15 MTX 170 134.277 5.283 6.847 1275 HN MTX 170 HN MTX 170 135.245 4.222 8.461 1276 HA MTX 170 HA MTX 170 137.539 5.624 9.482 1277 1HB MTX 170 HB1 MTX 170 136.460 5.193 11.651 1278 2HB MTX 170 HB2 MTX 170 137.861 4.141 11.515 1279 1HG MTX 170 HG1 MTX 170 136.216 2.365 10.527 1280 2HG MTX 170 HG2 MTX 170 134.919 3.410 11.101 1281 HN1 MTX 170 H1N MTX 170 128.809 0.125 8.931 No H/Q in entry = 1281 Start of MODEL 6 1 1H THR 1 HT3 THR 1 133.061 -7.409 -6.337 2 2H THR 1 HT2 THR 1 132.373 -8.667 -7.249 3 3H THR 1 HT1 THR 1 132.972 -7.278 -8.025 4 HA THR 1 HA THR 1 131.269 -5.918 -7.037 5 HB THR 1 HB THR 1 129.244 -7.244 -8.007 6 HG1 THR 1 HG1 THR 1 129.706 -9.113 -8.943 7 1HG2 THR 1 HG22 THR 1 130.596 -5.478 -9.178 8 2HG2 THR 1 HG21 THR 1 131.647 -6.756 -9.785 9 3HG2 THR 1 HG23 THR 1 129.949 -6.710 -10.261 10 H ALA 2 HN ALA 2 130.448 -5.603 -5.033 11 HA ALA 2 HA ALA 2 128.840 -7.702 -3.754 12 1HB ALA 2 HB3 ALA 2 131.425 -6.694 -2.538 13 2HB ALA 2 HB2 ALA 2 130.177 -7.524 -1.610 14 3HB ALA 2 HB1 ALA 2 131.004 -8.362 -2.922 15 H PHE 3 HN PHE 3 127.070 -6.571 -3.147 16 HA PHE 3 HA PHE 3 127.147 -3.689 -2.730 17 1HB PHE 3 HB2 PHE 3 125.063 -5.825 -2.736 18 2HB PHE 3 HB1 PHE 3 124.699 -4.349 -1.845 19 HD1 PHE 3 HD2 PHE 3 126.604 -4.958 -5.028 20 HD2 PHE 3 HD1 PHE 3 123.274 -3.023 -3.126 21 HE1 PHE 3 HE2 PHE 3 126.066 -3.796 -7.151 22 HE2 PHE 3 HE1 PHE 3 122.734 -1.863 -5.250 23 HZ PHE 3 HZ PHE 3 124.131 -2.249 -7.263 24 H LEU 4 HN LEU 4 127.072 -2.592 -0.765 25 HA LEU 4 HA LEU 4 126.738 -4.095 1.751 26 1HB LEU 4 HB2 LEU 4 129.161 -4.322 1.191 27 2HB LEU 4 HB1 LEU 4 129.293 -2.564 1.168 28 HG LEU 4 HG LEU 4 128.280 -2.681 3.563 29 1HD1 LEU 4 HD13 LEU 4 129.077 -5.537 3.013 30 2HD1 LEU 4 HD12 LEU 4 129.120 -4.887 4.653 31 3HD1 LEU 4 HD11 LEU 4 127.599 -4.929 3.759 32 1HD2 LEU 4 HD21 LEU 4 131.079 -3.673 2.935 33 2HD2 LEU 4 HD23 LEU 4 130.582 -1.991 3.124 34 3HD2 LEU 4 HD22 LEU 4 130.559 -3.079 4.512 35 H TRP 5 HN TRP 5 125.289 -2.818 2.802 36 HA TRP 5 HA TRP 5 125.929 0.016 3.221 37 1HB TRP 5 HB2 TRP 5 123.870 0.903 2.314 38 2HB TRP 5 HB1 TRP 5 124.657 -0.039 1.055 39 HD1 TRP 5 HD1 TRP 5 121.435 0.379 2.745 40 HE1 TRP 5 HE1 TRP 5 119.832 -1.559 2.188 41 HE3 TRP 5 HE3 TRP 5 124.725 -2.920 0.640 42 HZ2 TRP 5 HZ2 TRP 5 119.928 -4.160 1.012 43 HZ3 TRP 5 HZ3 TRP 5 123.937 -5.121 -0.184 44 HH2 TRP 5 HH2 TRP 5 121.545 -5.741 -0.003 45 H ALA 6 HN ALA 6 124.431 0.999 4.847 46 HA ALA 6 HA ALA 6 123.326 -1.113 6.657 47 1HB ALA 6 HB3 ALA 6 124.835 1.424 7.162 48 2HB ALA 6 HB2 ALA 6 123.654 0.900 8.360 49 3HB ALA 6 HB1 ALA 6 125.005 -0.151 7.938 50 H GLN 7 HN GLN 7 121.186 -0.955 7.193 51 HA GLN 7 HA GLN 7 119.781 1.629 6.745 52 1HB GLN 7 HB2 GLN 7 117.910 0.387 5.630 53 2HB GLN 7 HB1 GLN 7 119.403 0.382 4.691 54 1HG GLN 7 HG2 GLN 7 119.850 -1.860 5.160 55 2HG GLN 7 HG1 GLN 7 118.867 -1.855 6.624 56 1HE2 GLN 7 HE22 GLN 7 115.909 -2.782 4.938 57 2HE2 GLN 7 HE21 GLN 7 116.656 -2.428 6.421 58 H ASP 8 HN ASP 8 117.414 1.356 7.616 59 HA ASP 8 HA ASP 8 117.559 -0.230 10.150 60 1HB ASP 8 HB2 ASP 8 115.957 1.498 11.054 61 2HB ASP 8 HB1 ASP 8 117.551 2.137 10.655 62 H ARG 9 HN ARG 9 114.997 -0.245 10.971 63 HA ARG 9 HA ARG 9 113.732 -2.151 9.233 64 1HB ARG 9 HB2 ARG 9 111.806 -1.948 10.808 65 2HB ARG 9 HB1 ARG 9 113.339 -2.200 11.643 66 1HG ARG 9 HG2 ARG 9 113.503 0.120 12.231 67 2HG ARG 9 HG1 ARG 9 112.167 0.549 11.161 68 1HD ARG 9 HD2 ARG 9 111.705 -1.446 13.354 69 2HD ARG 9 HD1 ARG 9 111.732 0.274 13.743 70 HE ARG 9 HE ARG 9 110.028 -0.028 11.514 71 1HH1 ARG 9 HH21 ARG 9 110.168 -1.047 14.858 72 2HH1 ARG 9 HH22 ARG 9 108.448 -1.117 15.012 73 1HH2 ARG 9 HH11 ARG 9 107.807 -0.133 11.760 74 2HH2 ARG 9 HH12 ARG 9 107.123 -0.606 13.279 75 H ASP 10 HN ASP 10 113.447 1.330 9.589 76 HA ASP 10 HA ASP 10 110.957 1.605 8.146 77 1HB ASP 10 HB2 ASP 10 113.216 3.536 8.730 78 2HB ASP 10 HB1 ASP 10 111.748 4.007 7.872 79 H GLY 11 HN GLY 11 114.368 1.561 7.209 80 1HA GLY 11 HA2 GLY 11 114.914 0.637 4.970 81 2HA GLY 11 HA1 GLY 11 113.483 1.464 4.353 82 H LEU 12 HN LEU 12 115.616 3.021 6.656 83 HA LEU 12 HA LEU 12 116.307 5.020 4.564 84 1HB LEU 12 HB2 LEU 12 115.272 5.644 6.846 85 2HB LEU 12 HB1 LEU 12 116.858 5.275 7.522 86 HG LEU 12 HG LEU 12 117.732 6.844 5.604 87 1HD1 LEU 12 HD13 LEU 12 115.382 6.987 4.625 88 2HD1 LEU 12 HD12 LEU 12 114.958 7.981 6.019 89 3HD1 LEU 12 HD11 LEU 12 116.192 8.531 4.886 90 1HD2 LEU 12 HD23 LEU 12 117.841 7.259 8.076 91 2HD2 LEU 12 HD22 LEU 12 117.612 8.734 7.136 92 3HD2 LEU 12 HD21 LEU 12 116.247 8.006 7.981 93 H ILE 13 HN ILE 13 118.402 5.266 3.873 94 HA ILE 13 HA ILE 13 120.440 3.460 5.090 95 HB ILE 13 HB ILE 13 121.686 3.851 2.943 96 1HG1 ILE 13 HG12 ILE 13 119.102 5.104 1.985 97 2HG1 ILE 13 HG11 ILE 13 120.475 6.070 2.526 98 1HG2 ILE 13 HG22 ILE 13 119.929 1.990 3.415 99 2HG2 ILE 13 HG21 ILE 13 118.892 2.910 2.324 100 3HG2 ILE 13 HG23 ILE 13 120.429 2.265 1.746 101 1HD1 ILE 13 HD11 ILE 13 120.893 3.911 0.479 102 2HD1 ILE 13 HD13 ILE 13 120.250 5.476 -0.020 103 3HD1 ILE 13 HD12 ILE 13 121.832 5.378 0.754 104 H GLY 14 HN GLY 14 119.710 6.812 4.361 105 1HA GLY 14 HA2 GLY 14 121.791 7.709 6.197 106 2HA GLY 14 HA1 GLY 14 122.134 8.118 4.515 107 H LYS 15 HN LYS 15 121.922 10.358 5.603 108 HA LYS 15 HA LYS 15 119.282 11.423 4.914 109 1HB LYS 15 HB2 LYS 15 119.174 10.624 7.359 110 2HB LYS 15 HB1 LYS 15 120.294 11.939 7.714 111 1HG LYS 15 HG2 LYS 15 118.734 13.583 6.869 112 2HG LYS 15 HG1 LYS 15 117.652 12.321 6.282 113 1HD LYS 15 HD2 LYS 15 116.609 12.736 8.287 114 2HD LYS 15 HD1 LYS 15 117.802 11.570 8.859 115 1HE LYS 15 HE2 LYS 15 118.118 13.326 10.362 116 2HE LYS 15 HE1 LYS 15 119.328 13.696 9.133 117 1HZ LYS 15 HZ2 LYS 15 117.624 15.121 8.052 118 2HZ LYS 15 HZ1 LYS 15 116.624 14.882 9.405 119 3HZ LYS 15 HZ3 LYS 15 118.114 15.670 9.584 120 H ASP 16 HN ASP 16 119.891 13.120 3.671 121 HA ASP 16 HA ASP 16 121.014 15.051 2.957 122 1HB ASP 16 HB2 ASP 16 121.085 15.186 5.933 123 2HB ASP 16 HB1 ASP 16 122.169 16.268 5.057 124 H GLY 17 HN GLY 17 122.459 12.419 3.188 125 1HA GLY 17 HA2 GLY 17 124.660 11.954 2.320 126 2HA GLY 17 HA1 GLY 17 125.193 13.532 2.901 127 H HIS 18 HN HIS 18 124.309 13.423 5.551 128 HA HIS 18 HA HIS 18 126.262 11.513 6.676 129 1HB HIS 18 HB2 HIS 18 125.789 12.734 8.818 130 2HB HIS 18 HB1 HIS 18 126.355 13.790 7.525 131 HD1 HIS 18 HD1 HIS 18 123.251 12.877 9.457 132 HD2 HIS 18 HD2 HIS 18 124.443 15.656 6.587 133 HE1 HIS 18 HE1 HIS 18 121.376 14.570 9.277 134 H LEU 19 HN LEU 19 125.620 10.199 8.596 135 HA LEU 19 HA LEU 19 123.039 8.888 8.095 136 1HB LEU 19 HB2 LEU 19 125.380 8.310 9.911 137 2HB LEU 19 HB1 LEU 19 123.870 7.407 10.039 138 HG LEU 19 HG LEU 19 125.093 7.730 7.328 139 1HD1 LEU 19 HD12 LEU 19 126.111 5.916 9.526 140 2HD1 LEU 19 HD11 LEU 19 126.377 5.575 7.816 141 3HD1 LEU 19 HD13 LEU 19 127.039 7.043 8.536 142 1HD2 LEU 19 HD23 LEU 19 123.413 5.708 8.814 143 2HD2 LEU 19 HD22 LEU 19 123.022 6.587 7.336 144 3HD2 LEU 19 HD21 LEU 19 124.213 5.287 7.299 145 HA PRO 20 HA PRO 20 120.874 10.948 11.403 146 1HB PRO 20 HB2 PRO 20 118.911 9.001 11.791 147 2HB PRO 20 HB1 PRO 20 118.856 10.295 10.587 148 1HG PRO 20 HG2 PRO 20 119.156 7.468 10.162 149 2HG PRO 20 HG1 PRO 20 119.000 8.755 8.960 150 1HD PRO 20 HD2 PRO 20 121.391 7.322 9.796 151 2HD PRO 20 HD1 PRO 20 121.170 8.428 8.431 152 H TRP 21 HN TRP 21 121.966 7.630 11.789 153 HA TRP 21 HA TRP 21 121.821 7.960 14.759 154 1HB TRP 21 HB2 TRP 21 121.996 5.461 14.825 155 2HB TRP 21 HB1 TRP 21 120.547 6.029 13.995 156 HD1 TRP 21 HD1 TRP 21 124.069 4.677 13.237 157 HE1 TRP 21 HE1 TRP 21 124.040 3.593 10.897 158 HE3 TRP 21 HE3 TRP 21 119.324 5.868 11.775 159 HZ2 TRP 21 HZ2 TRP 21 122.240 3.274 8.696 160 HZ3 TRP 21 HZ3 TRP 21 118.479 5.162 9.555 161 HH2 TRP 21 HH2 TRP 21 119.930 3.868 8.015 162 H HIS 22 HN HIS 22 123.655 6.253 15.671 163 HA HIS 22 HA HIS 22 126.202 6.768 14.217 164 1HB HIS 22 HB2 HIS 22 125.744 8.527 16.031 165 2HB HIS 22 HB1 HIS 22 125.952 7.220 17.196 166 HD1 HIS 22 HD1 HIS 22 127.854 8.871 14.339 167 HD2 HIS 22 HD2 HIS 22 128.604 6.664 17.795 168 HE1 HIS 22 HE1 HIS 22 130.371 8.818 14.624 169 H LEU 23 HN LEU 23 126.657 4.628 13.788 170 HA LEU 23 HA LEU 23 126.677 2.753 16.121 171 1HB LEU 23 HB2 LEU 23 125.217 2.435 13.858 172 2HB LEU 23 HB1 LEU 23 126.715 1.641 13.368 173 HG LEU 23 HG LEU 23 126.624 0.304 15.494 174 1HD1 LEU 23 HD12 LEU 23 124.108 1.915 15.765 175 2HD1 LEU 23 HD11 LEU 23 124.142 0.272 16.407 176 3HD1 LEU 23 HD13 LEU 23 125.289 1.475 16.998 177 1HD2 LEU 23 HD21 LEU 23 124.691 0.149 13.247 178 2HD2 LEU 23 HD23 LEU 23 125.831 -1.061 13.837 179 3HD2 LEU 23 HD22 LEU 23 124.289 -0.827 14.659 180 HA PRO 24 HA PRO 24 131.122 3.126 15.057 181 1HB PRO 24 HB2 PRO 24 131.877 2.331 17.657 182 2HB PRO 24 HB1 PRO 24 131.795 3.987 17.041 183 1HG PRO 24 HG2 PRO 24 130.127 2.761 19.000 184 2HG PRO 24 HG1 PRO 24 130.029 4.407 18.359 185 1HD PRO 24 HD2 PRO 24 128.353 2.096 17.749 186 2HD PRO 24 HD1 PRO 24 128.082 3.805 17.373 187 H ASP 25 HN ASP 25 129.350 0.518 16.610 188 HA ASP 25 HA ASP 25 131.407 -1.489 16.417 189 1HB ASP 25 HB2 ASP 25 129.311 -1.630 17.836 190 2HB ASP 25 HB1 ASP 25 128.414 -1.949 16.351 191 H ASP 26 HN ASP 26 128.866 -0.368 14.226 192 HA ASP 26 HA ASP 26 129.190 -2.452 12.264 193 1HB ASP 26 HB2 ASP 26 127.209 -0.923 12.400 194 2HB ASP 26 HB1 ASP 26 128.233 0.395 11.832 195 H LEU 27 HN LEU 27 130.868 0.568 12.906 196 HA LEU 27 HA LEU 27 132.185 0.900 10.401 197 1HB LEU 27 HB2 LEU 27 132.850 1.696 13.231 198 2HB LEU 27 HB1 LEU 27 133.992 2.004 11.923 199 HG LEU 27 HG LEU 27 131.099 2.835 11.703 200 1HD1 LEU 27 HD13 LEU 27 132.519 3.766 13.755 201 2HD1 LEU 27 HD12 LEU 27 133.218 4.791 12.503 202 3HD1 LEU 27 HD11 LEU 27 131.482 4.833 12.809 203 1HD2 LEU 27 HD23 LEU 27 132.542 2.760 9.667 204 2HD2 LEU 27 HD22 LEU 27 132.015 4.398 10.057 205 3HD2 LEU 27 HD21 LEU 27 133.656 3.883 10.446 206 H HIS 28 HN HIS 28 132.930 -1.134 13.195 207 HA HIS 28 HA HIS 28 135.563 -1.922 12.382 208 1HB HIS 28 HB2 HIS 28 133.521 -3.475 14.005 209 2HB HIS 28 HB1 HIS 28 135.251 -3.812 13.932 210 HD1 HIS 28 HD1 HIS 28 136.386 -0.972 14.147 211 HD2 HIS 28 HD2 HIS 28 133.281 -2.375 16.549 212 HE1 HIS 28 HE1 HIS 28 136.376 0.478 16.224 213 H TYR 29 HN TYR 29 132.337 -3.175 11.630 214 HA TYR 29 HA TYR 29 133.305 -5.497 10.183 215 1HB TYR 29 HB2 TYR 29 130.934 -5.015 11.207 216 2HB TYR 29 HB1 TYR 29 130.631 -4.227 9.659 217 HD1 TYR 29 HD2 TYR 29 130.637 -5.505 7.564 218 HD2 TYR 29 HD1 TYR 29 131.296 -7.422 11.351 219 HE1 TYR 29 HE2 TYR 29 130.257 -7.718 6.510 220 HE2 TYR 29 HE1 TYR 29 130.916 -9.634 10.298 221 HH TYR 29 HH TYR 29 130.960 -10.137 7.013 222 H PHE 30 HN PHE 30 132.478 -2.174 9.335 223 HA PHE 30 HA PHE 30 132.517 -2.549 6.476 224 1HB PHE 30 HB2 PHE 30 131.503 -0.573 7.662 225 2HB PHE 30 HB1 PHE 30 133.137 -0.014 8.022 226 HD1 PHE 30 HD1 PHE 30 130.921 -1.020 5.178 227 HD2 PHE 30 HD2 PHE 30 134.334 1.260 6.448 228 HE1 PHE 30 HE1 PHE 30 131.066 0.017 2.930 229 HE2 PHE 30 HE2 PHE 30 134.479 2.296 4.200 230 HZ PHE 30 HZ PHE 30 132.845 1.674 2.441 231 H ARG 31 HN ARG 31 134.983 -1.621 8.862 232 HA ARG 31 HA ARG 31 137.070 -1.080 6.965 233 1HB ARG 31 HB2 ARG 31 137.106 -0.395 9.381 234 2HB ARG 31 HB1 ARG 31 137.372 -2.085 9.811 235 1HG ARG 31 HG2 ARG 31 139.448 -2.122 8.518 236 2HG ARG 31 HG1 ARG 31 139.172 -0.462 7.988 237 1HD ARG 31 HD2 ARG 31 139.768 0.431 10.015 238 2HD ARG 31 HD1 ARG 31 139.125 -0.938 10.923 239 HE ARG 31 HE ARG 31 141.383 -1.856 9.473 240 1HH1 ARG 31 HH21 ARG 31 140.619 0.352 12.076 241 2HH1 ARG 31 HH22 ARG 31 142.163 0.158 12.828 242 1HH2 ARG 31 HH11 ARG 31 143.369 -2.078 10.482 243 2HH2 ARG 31 HH12 ARG 31 143.704 -1.202 11.938 244 H ALA 32 HN ALA 32 135.844 -4.033 8.420 245 HA ALA 32 HA ALA 32 138.093 -5.692 7.633 246 1HB ALA 32 HB3 ALA 32 135.245 -6.390 8.403 247 2HB ALA 32 HB2 ALA 32 136.523 -7.577 8.148 248 3HB ALA 32 HB1 ALA 32 136.655 -6.408 9.462 249 H GLN 33 HN GLN 33 135.071 -4.687 6.142 250 HA GLN 33 HA GLN 33 135.578 -6.491 3.828 251 1HB GLN 33 HB2 GLN 33 133.194 -4.706 4.412 252 2HB GLN 33 HB1 GLN 33 133.310 -5.898 3.117 253 1HG GLN 33 HG2 GLN 33 133.817 -6.809 5.921 254 2HG GLN 33 HG1 GLN 33 132.150 -6.507 5.431 255 1HE2 GLN 33 HE22 GLN 33 133.479 -10.034 4.518 256 2HE2 GLN 33 HE21 GLN 33 133.799 -9.112 5.907 257 H THR 34 HN THR 34 137.353 -4.283 4.246 258 HA THR 34 HA THR 34 136.916 -2.856 1.691 259 HB THR 34 HB THR 34 137.510 -0.666 2.841 260 HG1 THR 34 HG1 THR 34 136.748 -2.163 5.124 261 1HG2 THR 34 HG23 THR 34 134.916 -2.035 3.603 262 2HG2 THR 34 HG22 THR 34 135.194 -0.295 3.644 263 3HG2 THR 34 HG21 THR 34 135.224 -1.156 2.106 264 H VAL 35 HN VAL 35 139.035 -3.261 4.537 265 HA VAL 35 HA VAL 35 141.442 -2.355 3.313 266 HB VAL 35 HB VAL 35 142.589 -3.695 5.075 267 1HG1 VAL 35 HG12 VAL 35 140.230 -1.944 5.722 268 2HG1 VAL 35 HG11 VAL 35 141.188 -2.651 7.023 269 3HG1 VAL 35 HG13 VAL 35 141.951 -1.579 5.849 270 1HG2 VAL 35 HG22 VAL 35 139.894 -4.949 5.161 271 2HG2 VAL 35 HG21 VAL 35 141.472 -5.652 5.512 272 3HG2 VAL 35 HG23 VAL 35 140.660 -4.660 6.723 273 H GLY 36 HN GLY 36 142.787 -3.299 1.847 274 1HA GLY 36 HA2 GLY 36 143.793 -4.989 0.539 275 2HA GLY 36 HA1 GLY 36 142.926 -6.192 1.496 276 H LYS 37 HN LYS 37 141.242 -3.532 -0.042 277 HA LYS 37 HA LYS 37 140.439 -5.161 -2.358 278 1HB LYS 37 HB2 LYS 37 138.456 -4.321 -0.219 279 2HB LYS 37 HB1 LYS 37 138.014 -4.968 -1.799 280 1HG LYS 37 HG2 LYS 37 139.423 -7.003 -1.245 281 2HG LYS 37 HG1 LYS 37 139.549 -6.376 0.398 282 1HD LYS 37 HD2 LYS 37 136.915 -6.204 0.192 283 2HD LYS 37 HD1 LYS 37 137.148 -7.441 -1.044 284 1HE LYS 37 HE2 LYS 37 138.087 -7.589 1.835 285 2HE LYS 37 HE1 LYS 37 136.769 -8.515 1.118 286 1HZ LYS 37 HZ1 LYS 37 138.460 -9.387 -0.490 287 2HZ LYS 37 HZ3 LYS 37 139.658 -8.690 0.487 288 3HZ LYS 37 HZ2 LYS 37 138.654 -9.907 1.116 289 H ILE 38 HN ILE 38 138.515 -3.777 -3.480 290 HA ILE 38 HA ILE 38 139.550 -0.978 -3.572 291 HB ILE 38 HB ILE 38 137.880 -2.451 -5.630 292 1HG1 ILE 38 HG12 ILE 38 140.832 -1.822 -5.797 293 2HG1 ILE 38 HG11 ILE 38 140.245 -3.354 -5.150 294 1HG2 ILE 38 HG21 ILE 38 139.331 0.203 -5.587 295 2HG2 ILE 38 HG23 ILE 38 138.828 -0.577 -7.086 296 3HG2 ILE 38 HG22 ILE 38 137.620 -0.090 -5.898 297 1HD1 ILE 38 HD12 ILE 38 139.326 -2.329 -7.835 298 2HD1 ILE 38 HD11 ILE 38 140.804 -3.276 -7.669 299 3HD1 ILE 38 HD13 ILE 38 139.252 -3.975 -7.208 300 H MET 39 HN MET 39 138.290 0.457 -2.503 301 HA MET 39 HA MET 39 135.457 -0.174 -1.964 302 1HB MET 39 HB2 MET 39 137.139 0.877 -0.292 303 2HB MET 39 HB1 MET 39 136.869 2.375 -1.183 304 1HG MET 39 HG2 MET 39 134.401 2.072 -0.818 305 2HG MET 39 HG1 MET 39 134.772 0.693 0.218 306 1HE MET 39 HE2 MET 39 134.789 4.344 -0.446 307 2HE MET 39 HE1 MET 39 135.552 5.136 0.931 308 3HE MET 39 HE3 MET 39 136.539 4.274 -0.257 309 H VAL 40 HN VAL 40 133.854 0.552 -3.262 310 HA VAL 40 HA VAL 40 134.469 2.783 -5.152 311 HB VAL 40 HB VAL 40 132.251 0.721 -5.326 312 1HG1 VAL 40 HG11 VAL 40 133.367 2.728 -7.310 313 2HG1 VAL 40 HG13 VAL 40 132.144 1.513 -7.682 314 3HG1 VAL 40 HG12 VAL 40 131.785 2.804 -6.534 315 1HG2 VAL 40 HG23 VAL 40 135.050 0.803 -6.461 316 2HG2 VAL 40 HG22 VAL 40 134.258 -0.514 -5.597 317 3HG2 VAL 40 HG21 VAL 40 133.768 -0.121 -7.244 318 H VAL 41 HN VAL 41 133.443 4.689 -4.807 319 HA VAL 41 HA VAL 41 130.802 4.697 -3.451 320 HB VAL 41 HB VAL 41 131.576 6.560 -1.960 321 1HG1 VAL 41 HG12 VAL 41 131.484 4.138 -1.249 322 2HG1 VAL 41 HG11 VAL 41 133.204 4.027 -1.621 323 3HG1 VAL 41 HG13 VAL 41 132.646 5.114 -0.350 324 1HG2 VAL 41 HG21 VAL 41 133.572 7.082 -3.474 325 2HG2 VAL 41 HG23 VAL 41 133.908 7.056 -1.743 326 3HG2 VAL 41 HG22 VAL 41 134.363 5.682 -2.751 327 H GLY 42 HN GLY 42 129.741 6.859 -3.666 328 1HA GLY 42 HA2 GLY 42 130.345 8.008 -6.319 329 2HA GLY 42 HA1 GLY 42 128.902 8.331 -5.354 330 H ARG 43 HN ARG 43 129.539 10.621 -6.046 331 HA ARG 43 HA ARG 43 131.853 11.812 -4.721 332 1HB ARG 43 HB2 ARG 43 130.250 12.531 -6.867 333 2HB ARG 43 HB1 ARG 43 129.744 13.661 -5.612 334 1HG ARG 43 HG2 ARG 43 132.676 13.204 -5.962 335 2HG ARG 43 HG1 ARG 43 131.845 14.171 -7.183 336 1HD ARG 43 HD2 ARG 43 131.297 14.772 -4.306 337 2HD ARG 43 HD1 ARG 43 132.839 15.295 -4.982 338 HE ARG 43 HE ARG 43 130.672 16.042 -6.727 339 1HH1 ARG 43 HH21 ARG 43 132.238 16.893 -3.717 340 2HH1 ARG 43 HH22 ARG 43 131.754 18.550 -3.819 341 1HH2 ARG 43 HH11 ARG 43 130.070 18.194 -6.819 342 2HH2 ARG 43 HH12 ARG 43 130.541 19.281 -5.555 343 H ARG 44 HN ARG 44 128.395 11.522 -4.096 344 HA ARG 44 HA ARG 44 128.334 13.414 -1.905 345 1HB ARG 44 HB2 ARG 44 126.381 12.327 -3.336 346 2HB ARG 44 HB1 ARG 44 126.421 11.112 -2.058 347 1HG ARG 44 HG2 ARG 44 126.258 12.987 -0.379 348 2HG ARG 44 HG1 ARG 44 125.994 14.093 -1.728 349 1HD ARG 44 HD2 ARG 44 124.294 11.627 -1.347 350 2HD ARG 44 HD1 ARG 44 123.896 13.158 -0.565 351 HE ARG 44 HE ARG 44 123.586 12.549 -3.396 352 1HH1 ARG 44 HH11 ARG 44 124.123 15.090 -1.053 353 2HH1 ARG 44 HH12 ARG 44 123.472 16.316 -2.084 354 1HH2 ARG 44 HH21 ARG 44 122.752 14.167 -4.697 355 2HH2 ARG 44 HH22 ARG 44 122.704 15.802 -4.124 356 H THR 45 HN THR 45 128.706 9.882 -2.129 357 HA THR 45 HA THR 45 128.820 9.484 0.741 358 HB THR 45 HB THR 45 130.021 7.644 -1.334 359 HG1 THR 45 HG1 THR 45 127.887 6.764 -1.448 360 1HG2 THR 45 HG21 THR 45 130.138 7.342 1.263 361 2HG2 THR 45 HG23 THR 45 128.443 6.880 1.106 362 3HG2 THR 45 HG22 THR 45 129.690 5.965 0.257 363 H TYR 46 HN TYR 46 131.172 10.189 -1.775 364 HA TYR 46 HA TYR 46 133.547 9.520 -0.334 365 1HB TYR 46 HB2 TYR 46 133.378 10.078 -2.803 366 2HB TYR 46 HB1 TYR 46 133.250 11.774 -2.334 367 HD1 TYR 46 HD1 TYR 46 135.368 8.806 -1.414 368 HD2 TYR 46 HD2 TYR 46 135.229 12.986 -2.398 369 HE1 TYR 46 HE1 TYR 46 137.835 8.937 -1.205 370 HE2 TYR 46 HE2 TYR 46 137.697 13.117 -2.188 371 HH TYR 46 HH TYR 46 139.669 11.160 -2.450 372 H GLU 47 HN GLU 47 132.042 12.736 -0.812 373 HA GLU 47 HA GLU 47 133.692 14.079 1.100 374 1HB GLU 47 HB2 GLU 47 131.071 14.671 -0.231 375 2HB GLU 47 HB1 GLU 47 131.595 15.683 1.115 376 1HG GLU 47 HG2 GLU 47 133.559 15.071 -1.061 377 2HG GLU 47 HG1 GLU 47 132.307 16.274 -1.370 378 H SER 48 HN SER 48 130.927 12.003 1.494 379 HA SER 48 HA SER 48 129.962 12.953 4.006 380 1HB SER 48 HB2 SER 48 128.775 11.289 2.575 381 2HB SER 48 HB1 SER 48 130.006 10.097 2.983 382 HG SER 48 HG SER 48 128.419 9.791 4.453 383 H PHE 49 HN PHE 49 132.688 10.893 3.149 384 HA PHE 49 HA PHE 49 133.210 9.893 5.796 385 1HB PHE 49 HB2 PHE 49 135.206 10.355 3.562 386 2HB PHE 49 HB1 PHE 49 135.389 9.255 4.928 387 HD1 PHE 49 HD2 PHE 49 132.961 7.811 5.183 388 HD2 PHE 49 HD1 PHE 49 134.854 9.190 1.581 389 HE1 PHE 49 HE2 PHE 49 131.814 6.028 3.898 390 HE2 PHE 49 HE1 PHE 49 133.706 7.406 0.296 391 HZ PHE 49 HZ PHE 49 132.186 5.826 1.455 392 HA PRO 50 HA PRO 50 135.053 13.512 7.640 393 1HB PRO 50 HB2 PRO 50 136.477 12.180 9.636 394 2HB PRO 50 HB1 PRO 50 134.781 12.672 9.735 395 1HG PRO 50 HG2 PRO 50 135.873 10.014 9.552 396 2HG PRO 50 HG1 PRO 50 134.191 10.507 9.786 397 1HD PRO 50 HD2 PRO 50 135.472 9.532 7.373 398 2HD PRO 50 HD1 PRO 50 133.755 9.843 7.675 399 H LYS 51 HN LYS 51 137.339 10.746 7.603 400 HA LYS 51 HA LYS 51 139.519 12.638 6.878 401 1HB LYS 51 HB2 LYS 51 139.812 11.024 8.800 402 2HB LYS 51 HB1 LYS 51 139.736 9.709 7.627 403 1HG LYS 51 HG2 LYS 51 142.002 9.999 7.564 404 2HG LYS 51 HG1 LYS 51 141.592 11.291 6.437 405 1HD LYS 51 HD2 LYS 51 142.929 12.453 7.937 406 2HD LYS 51 HD1 LYS 51 141.339 12.710 8.659 407 1HE LYS 51 HE2 LYS 51 141.706 11.119 10.344 408 2HE LYS 51 HE1 LYS 51 142.985 10.312 9.436 409 1HZ LYS 51 HZ1 LYS 51 144.230 12.500 9.671 410 2HZ LYS 51 HZ3 LYS 51 143.097 12.893 10.872 411 3HZ LYS 51 HZ2 LYS 51 144.095 11.530 11.060 412 H ARG 52 HN ARG 52 139.553 12.911 4.678 413 HA ARG 52 HA ARG 52 139.368 10.450 2.989 414 1HB ARG 52 HB2 ARG 52 138.809 13.315 2.167 415 2HB ARG 52 HB1 ARG 52 138.560 11.872 1.183 416 1HG ARG 52 HG2 ARG 52 136.866 11.054 2.732 417 2HG ARG 52 HG1 ARG 52 137.165 12.411 3.821 418 1HD ARG 52 HD2 ARG 52 136.085 12.577 0.992 419 2HD ARG 52 HD1 ARG 52 135.186 12.888 2.476 420 HE ARG 52 HE ARG 52 137.052 14.720 1.182 421 1HH1 ARG 52 HH21 ARG 52 135.553 13.798 4.205 422 2HH1 ARG 52 HH22 ARG 52 135.766 15.365 4.903 423 1HH2 ARG 52 HH11 ARG 52 137.312 16.730 2.128 424 2HH2 ARG 52 HH12 ARG 52 136.752 17.007 3.743 425 HA PRO 53 HA PRO 53 139.852 9.732 1.058 426 1HB PRO 53 HB2 PRO 53 141.917 8.124 0.070 427 2HB PRO 53 HB1 PRO 53 141.016 9.333 -0.854 428 1HG PRO 53 HG2 PRO 53 143.767 9.401 -0.067 429 2HG PRO 53 HG1 PRO 53 142.865 10.598 -1.007 430 1HD PRO 53 HD2 PRO 53 143.642 10.675 1.814 431 2HD PRO 53 HD1 PRO 53 143.070 11.988 0.772 432 H LEU 54 HN LEU 54 139.965 7.210 1.369 433 HA LEU 54 HA LEU 54 140.619 6.734 4.190 434 1HB LEU 54 HB2 LEU 54 139.381 4.931 2.090 435 2HB LEU 54 HB1 LEU 54 139.534 4.530 3.802 436 HG LEU 54 HG LEU 54 138.049 6.949 2.734 437 1HD1 LEU 54 HD13 LEU 54 137.144 4.505 2.326 438 2HD1 LEU 54 HD12 LEU 54 136.745 4.583 4.042 439 3HD1 LEU 54 HD11 LEU 54 136.055 5.757 2.923 440 1HD2 LEU 54 HD21 LEU 54 138.424 5.739 5.485 441 2HD2 LEU 54 HD23 LEU 54 138.819 7.377 4.961 442 3HD2 LEU 54 HD22 LEU 54 137.133 6.883 5.121 443 HA PRO 55 HA PRO 55 144.583 4.919 2.947 444 1HB PRO 55 HB2 PRO 55 145.448 4.559 5.580 445 2HB PRO 55 HB1 PRO 55 145.728 5.995 4.587 446 1HG PRO 55 HG2 PRO 55 144.058 5.730 6.907 447 2HG PRO 55 HG1 PRO 55 144.405 7.181 5.958 448 1HD PRO 55 HD2 PRO 55 142.012 5.519 5.948 449 2HD PRO 55 HD1 PRO 55 142.272 7.109 5.214 450 H GLU 56 HN GLU 56 145.784 2.852 3.624 451 HA GLU 56 HA GLU 56 145.773 0.529 3.912 452 1HB GLU 56 HB2 GLU 56 143.941 1.564 6.002 453 2HB GLU 56 HB1 GLU 56 143.749 -0.144 5.606 454 1HG GLU 56 HG2 GLU 56 146.401 1.159 6.282 455 2HG GLU 56 HG1 GLU 56 145.414 0.261 7.434 456 H ARG 57 HN ARG 57 144.020 1.880 1.859 457 HA ARG 57 HA ARG 57 142.787 -0.448 0.780 458 1HB ARG 57 HB2 ARG 57 140.390 0.200 1.034 459 2HB ARG 57 HB1 ARG 57 141.146 -0.206 2.575 460 1HG ARG 57 HG2 ARG 57 141.665 2.379 2.658 461 2HG ARG 57 HG1 ARG 57 140.325 2.479 1.516 462 1HD ARG 57 HD2 ARG 57 139.105 2.592 3.460 463 2HD ARG 57 HD1 ARG 57 139.202 0.837 3.323 464 HE ARG 57 HE ARG 57 141.494 1.732 4.748 465 1HH1 ARG 57 HH21 ARG 57 138.022 1.528 5.125 466 2HH1 ARG 57 HH22 ARG 57 138.116 1.405 6.847 467 1HH2 ARG 57 HH11 ARG 57 141.568 1.570 6.977 468 2HH2 ARG 57 HH12 ARG 57 140.101 1.429 7.887 469 H THR 58 HN THR 58 141.883 -0.021 -1.311 470 HA THR 58 HA THR 58 142.857 2.463 -2.515 471 HB THR 58 HB THR 58 141.172 0.330 -3.846 472 HG1 THR 58 HG1 THR 58 143.243 -0.571 -4.387 473 1HG2 THR 58 HG22 THR 58 143.095 2.465 -4.764 474 2HG2 THR 58 HG21 THR 58 142.699 1.082 -5.784 475 3HG2 THR 58 HG23 THR 58 141.429 2.195 -5.276 476 H ASN 59 HN ASN 59 141.468 3.946 -3.703 477 HA ASN 59 HA ASN 59 138.617 3.918 -2.795 478 1HB ASN 59 HB2 ASN 59 140.598 6.199 -2.843 479 2HB ASN 59 HB1 ASN 59 138.857 6.481 -2.826 480 1HD2 ASN 59 HD22 ASN 59 140.702 5.034 0.534 481 2HD2 ASN 59 HD21 ASN 59 141.530 5.043 -0.947 482 H VAL 60 HN VAL 60 137.122 4.415 -4.378 483 HA VAL 60 HA VAL 60 138.145 5.376 -7.010 484 HB VAL 60 HB VAL 60 136.145 3.122 -6.660 485 1HG1 VAL 60 HG13 VAL 60 137.550 4.281 -9.086 486 2HG1 VAL 60 HG12 VAL 60 136.523 2.848 -9.105 487 3HG1 VAL 60 HG11 VAL 60 135.833 4.422 -8.712 488 1HG2 VAL 60 HG21 VAL 60 138.432 2.454 -5.967 489 2HG2 VAL 60 HG23 VAL 60 137.955 1.657 -7.466 490 3HG2 VAL 60 HG22 VAL 60 139.060 3.032 -7.510 491 H VAL 61 HN VAL 61 137.027 7.176 -7.549 492 HA VAL 61 HA VAL 61 134.315 7.571 -6.372 493 HB VAL 61 HB VAL 61 136.133 9.614 -7.683 494 1HG1 VAL 61 HG11 VAL 61 133.614 9.835 -6.008 495 2HG1 VAL 61 HG13 VAL 61 134.628 11.205 -6.461 496 3HG1 VAL 61 HG12 VAL 61 133.794 10.276 -7.706 497 1HG2 VAL 61 HG23 VAL 61 135.691 8.936 -4.756 498 2HG2 VAL 61 HG22 VAL 61 137.189 8.721 -5.662 499 3HG2 VAL 61 HG21 VAL 61 136.581 10.344 -5.337 500 H LEU 62 HN LEU 62 132.613 7.273 -7.709 501 HA LEU 62 HA LEU 62 133.066 7.552 -10.655 502 1HB LEU 62 HB2 LEU 62 132.507 5.235 -9.831 503 2HB LEU 62 HB1 LEU 62 130.955 5.866 -9.277 504 HG LEU 62 HG LEU 62 130.596 6.708 -11.659 505 1HD1 LEU 62 HD13 LEU 62 133.102 5.066 -11.982 506 2HD1 LEU 62 HD12 LEU 62 131.958 5.226 -13.315 507 3HD1 LEU 62 HD11 LEU 62 132.732 6.660 -12.641 508 1HD2 LEU 62 HD22 LEU 62 129.511 4.670 -10.724 509 2HD2 LEU 62 HD21 LEU 62 129.846 4.510 -12.448 510 3HD2 LEU 62 HD23 LEU 62 130.887 3.712 -11.269 511 H THR 63 HN THR 63 132.521 9.818 -10.567 512 HA THR 63 HA THR 63 129.636 10.348 -9.978 513 HB THR 63 HB THR 63 131.048 11.610 -8.464 514 HG1 THR 63 HG1 THR 63 129.623 13.082 -8.877 515 1HG2 THR 63 HG21 THR 63 132.512 12.331 -11.002 516 2HG2 THR 63 HG23 THR 63 132.652 13.314 -9.545 517 3HG2 THR 63 HG22 THR 63 133.165 11.628 -9.522 518 H HIS 64 HN HIS 64 132.027 10.259 -12.448 519 HA HIS 64 HA HIS 64 131.930 10.819 -14.717 520 1HB HIS 64 HB2 HIS 64 129.583 9.768 -14.348 521 2HB HIS 64 HB1 HIS 64 128.997 11.432 -14.352 522 HD1 HIS 64 HD1 HIS 64 131.551 9.600 -16.532 523 HD2 HIS 64 HD2 HIS 64 128.148 11.976 -16.915 524 HE1 HIS 64 HE1 HIS 64 131.184 9.931 -19.015 525 H GLN 65 HN GLN 65 132.722 12.827 -12.927 526 HA GLN 65 HA GLN 65 131.632 15.262 -14.281 527 1HB GLN 65 HB2 GLN 65 130.925 14.989 -11.844 528 2HB GLN 65 HB1 GLN 65 132.625 15.191 -11.423 529 1HG GLN 65 HG2 GLN 65 132.692 17.402 -12.249 530 2HG GLN 65 HG1 GLN 65 131.213 17.188 -13.186 531 1HE2 GLN 65 HE22 GLN 65 130.671 17.408 -9.111 532 2HE2 GLN 65 HE21 GLN 65 131.948 16.473 -9.725 533 H GLU 66 HN GLU 66 133.290 15.746 -15.671 534 HA GLU 66 HA GLU 66 136.077 15.260 -15.028 535 1HB GLU 66 HB2 GLU 66 134.672 16.746 -17.255 536 2HB GLU 66 HB1 GLU 66 136.431 16.700 -17.130 537 1HG GLU 66 HG2 GLU 66 136.501 14.343 -17.391 538 2HG GLU 66 HG1 GLU 66 134.774 14.177 -17.071 539 H ASP 67 HN ASP 67 135.871 16.490 -12.901 540 HA ASP 67 HA ASP 67 137.085 19.115 -13.206 541 1HB ASP 67 HB2 ASP 67 134.539 19.477 -13.450 542 2HB ASP 67 HB1 ASP 67 134.449 19.080 -11.734 543 H TYR 68 HN TYR 68 135.326 16.996 -10.929 544 HA TYR 68 HA TYR 68 136.790 17.860 -8.605 545 1HB TYR 68 HB2 TYR 68 134.567 16.658 -8.587 546 2HB TYR 68 HB1 TYR 68 135.430 15.184 -9.025 547 HD1 TYR 68 HD1 TYR 68 135.916 18.011 -6.594 548 HD2 TYR 68 HD2 TYR 68 135.891 13.766 -7.247 549 HE1 TYR 68 HE1 TYR 68 136.497 17.642 -4.212 550 HE2 TYR 68 HE2 TYR 68 136.473 13.397 -4.864 551 HH TYR 68 HH TYR 68 137.658 15.769 -2.874 552 H GLN 69 HN GLN 69 138.961 17.581 -8.436 553 HA GLN 69 HA GLN 69 140.106 14.962 -9.329 554 1HB GLN 69 HB2 GLN 69 141.319 17.738 -9.436 555 2HB GLN 69 HB1 GLN 69 142.247 16.259 -9.690 556 1HG GLN 69 HG2 GLN 69 140.543 15.657 -11.493 557 2HG GLN 69 HG1 GLN 69 139.954 17.314 -11.355 558 1HE2 GLN 69 HE22 GLN 69 143.074 18.706 -12.633 559 2HE2 GLN 69 HE21 GLN 69 141.925 19.002 -11.420 560 H ALA 70 HN ALA 70 140.548 13.818 -7.510 561 HA ALA 70 HA ALA 70 141.558 15.291 -5.114 562 1HB ALA 70 HB3 ALA 70 140.130 12.642 -5.421 563 2HB ALA 70 HB2 ALA 70 140.935 13.112 -3.924 564 3HB ALA 70 HB1 ALA 70 139.587 14.069 -4.539 565 H GLN 71 HN GLN 71 143.582 14.806 -4.332 566 HA GLN 71 HA GLN 71 145.237 12.960 -5.956 567 1HB GLN 71 HB2 GLN 71 145.917 15.020 -3.840 568 2HB GLN 71 HB1 GLN 71 147.118 13.962 -4.584 569 1HG GLN 71 HG2 GLN 71 146.518 14.831 -6.810 570 2HG GLN 71 HG1 GLN 71 145.309 15.887 -6.076 571 1HE2 GLN 71 HE22 GLN 71 147.852 17.994 -4.523 572 2HE2 GLN 71 HE21 GLN 71 146.357 17.281 -4.150 573 H GLY 72 HN GLY 72 145.963 11.019 -5.178 574 1HA GLY 72 HA2 GLY 72 146.747 9.613 -3.318 575 2HA GLY 72 HA1 GLY 72 145.599 10.447 -2.269 576 H ALA 73 HN ALA 73 143.465 10.337 -4.337 577 HA ALA 73 HA ALA 73 142.795 7.432 -4.076 578 1HB ALA 73 HB2 ALA 73 141.416 9.257 -2.813 579 2HB ALA 73 HB1 ALA 73 140.735 9.604 -4.403 580 3HB ALA 73 HB3 ALA 73 140.548 8.000 -3.694 581 H VAL 74 HN VAL 74 141.436 6.564 -5.840 582 HA VAL 74 HA VAL 74 142.304 7.642 -8.449 583 HB VAL 74 HB VAL 74 140.669 5.158 -7.845 584 1HG1 VAL 74 HG11 VAL 74 140.564 6.003 -10.181 585 2HG1 VAL 74 HG13 VAL 74 142.325 5.957 -10.260 586 3HG1 VAL 74 HG12 VAL 74 141.411 4.459 -10.078 587 1HG2 VAL 74 HG22 VAL 74 143.654 5.629 -8.032 588 2HG2 VAL 74 HG21 VAL 74 142.756 4.880 -6.712 589 3HG2 VAL 74 HG23 VAL 74 142.937 4.033 -8.247 590 H VAL 75 HN VAL 75 140.882 8.448 -10.005 591 HA VAL 75 HA VAL 75 138.006 8.662 -9.228 592 HB VAL 75 HB VAL 75 139.649 10.885 -10.477 593 1HG1 VAL 75 HG11 VAL 75 137.204 10.817 -11.019 594 2HG1 VAL 75 HG13 VAL 75 136.857 10.889 -9.291 595 3HG1 VAL 75 HG12 VAL 75 137.664 12.241 -10.085 596 1HG2 VAL 75 HG21 VAL 75 140.290 10.418 -8.113 597 2HG2 VAL 75 HG23 VAL 75 139.497 11.983 -8.290 598 3HG2 VAL 75 HG22 VAL 75 138.602 10.610 -7.640 599 H VAL 76 HN VAL 76 136.856 7.652 -10.789 600 HA VAL 76 HA VAL 76 137.927 7.661 -13.577 601 HB VAL 76 HB VAL 76 136.379 5.716 -13.914 602 1HG1 VAL 76 HG11 VAL 76 138.789 5.457 -13.248 603 2HG1 VAL 76 HG13 VAL 76 138.267 5.370 -11.566 604 3HG1 VAL 76 HG12 VAL 76 137.764 4.125 -12.711 605 1HG2 VAL 76 HG22 VAL 76 134.943 6.544 -11.883 606 2HG2 VAL 76 HG21 VAL 76 135.126 4.810 -12.148 607 3HG2 VAL 76 HG23 VAL 76 136.094 5.621 -10.918 608 H HIS 77 HN HIS 77 135.861 7.339 -15.156 609 HA HIS 77 HA HIS 77 133.618 9.087 -14.348 610 1HB HIS 77 HB2 HIS 77 135.327 9.709 -16.777 611 2HB HIS 77 HB1 HIS 77 133.909 10.607 -16.235 612 HD1 HIS 77 HD1 HIS 77 134.199 12.230 -14.271 613 HD2 HIS 77 HD2 HIS 77 137.653 10.048 -15.101 614 HE1 HIS 77 HE1 HIS 77 136.057 13.285 -12.910 615 H ASP 78 HN ASP 78 133.833 6.274 -14.998 616 HA ASP 78 HA ASP 78 131.674 6.059 -16.900 617 1HB ASP 78 HB2 ASP 78 133.809 6.445 -18.331 618 2HB ASP 78 HB1 ASP 78 134.234 4.796 -17.869 619 H VAL 79 HN VAL 79 130.643 4.102 -16.600 620 HA VAL 79 HA VAL 79 131.373 2.451 -14.384 621 HB VAL 79 HB VAL 79 129.559 1.718 -16.702 622 1HG1 VAL 79 HG11 VAL 79 130.275 -0.075 -15.037 623 2HG1 VAL 79 HG13 VAL 79 129.429 0.860 -13.802 624 3HG1 VAL 79 HG12 VAL 79 128.536 0.189 -15.166 625 1HG2 VAL 79 HG22 VAL 79 129.200 3.500 -14.310 626 2HG2 VAL 79 HG21 VAL 79 128.618 3.721 -15.960 627 3HG2 VAL 79 HG23 VAL 79 127.826 2.561 -14.894 628 H ALA 80 HN ALA 80 131.914 2.130 -17.869 629 HA ALA 80 HA ALA 80 132.927 -0.545 -17.844 630 1HB ALA 80 HB2 ALA 80 132.289 0.961 -19.861 631 2HB ALA 80 HB1 ALA 80 133.930 1.591 -19.722 632 3HB ALA 80 HB3 ALA 80 133.668 -0.122 -20.045 633 H ALA 81 HN ALA 81 134.483 2.598 -17.322 634 HA ALA 81 HA ALA 81 137.183 1.605 -17.250 635 1HB ALA 81 HB3 ALA 81 136.359 4.053 -17.439 636 2HB ALA 81 HB2 ALA 81 136.211 3.994 -15.682 637 3HB ALA 81 HB1 ALA 81 137.782 3.747 -16.443 638 H VAL 82 HN VAL 82 134.641 1.926 -14.818 639 HA VAL 82 HA VAL 82 136.253 1.422 -12.508 640 HB VAL 82 HB VAL 82 133.344 0.671 -12.945 641 1HG1 VAL 82 HG13 VAL 82 134.391 -0.328 -10.938 642 2HG1 VAL 82 HG12 VAL 82 134.927 1.273 -10.426 643 3HG1 VAL 82 HG11 VAL 82 133.204 0.899 -10.494 644 1HG2 VAL 82 HG21 VAL 82 134.295 3.164 -13.288 645 2HG2 VAL 82 HG23 VAL 82 132.741 2.855 -12.514 646 3HG2 VAL 82 HG22 VAL 82 134.172 3.164 -11.530 647 H PHE 83 HN PHE 83 134.697 -0.726 -14.846 648 HA PHE 83 HA PHE 83 135.262 -3.155 -13.351 649 1HB PHE 83 HB2 PHE 83 134.279 -2.507 -16.111 650 2HB PHE 83 HB1 PHE 83 134.863 -4.138 -15.775 651 HD1 PHE 83 HD1 PHE 83 134.029 -4.948 -13.260 652 HD2 PHE 83 HD2 PHE 83 131.976 -2.268 -15.915 653 HE1 PHE 83 HE1 PHE 83 131.881 -5.492 -12.147 654 HE2 PHE 83 HE2 PHE 83 129.828 -2.812 -14.803 655 HZ PHE 83 HZ PHE 83 129.780 -4.424 -12.919 656 H ALA 84 HN ALA 84 136.887 -1.312 -15.890 657 HA ALA 84 HA ALA 84 138.889 -3.268 -16.524 658 1HB ALA 84 HB1 ALA 84 138.426 -1.300 -17.952 659 2HB ALA 84 HB3 ALA 84 139.049 -0.242 -16.685 660 3HB ALA 84 HB2 ALA 84 140.129 -1.375 -17.498 661 H TYR 85 HN TYR 85 138.662 -0.761 -14.042 662 HA TYR 85 HA TYR 85 141.388 -0.926 -13.143 663 1HB TYR 85 HB2 TYR 85 139.693 0.899 -12.588 664 2HB TYR 85 HB1 TYR 85 138.993 -0.231 -11.427 665 HD1 TYR 85 HD2 TYR 85 142.272 1.292 -12.414 666 HD2 TYR 85 HD1 TYR 85 139.873 -0.366 -9.260 667 HE1 TYR 85 HE2 TYR 85 144.019 1.903 -10.764 668 HE2 TYR 85 HE1 TYR 85 141.620 0.246 -7.609 669 HH TYR 85 HH TYR 85 144.028 0.709 -7.571 670 H ALA 86 HN ALA 86 138.441 -2.696 -12.297 671 HA ALA 86 HA ALA 86 139.653 -4.150 -10.096 672 1HB ALA 86 HB3 ALA 86 137.127 -3.744 -10.609 673 2HB ALA 86 HB2 ALA 86 137.285 -5.141 -11.671 674 3HB ALA 86 HB1 ALA 86 137.610 -5.304 -9.946 675 H LYS 87 HN LYS 87 139.338 -4.645 -13.561 676 HA LYS 87 HA LYS 87 140.011 -7.423 -13.652 677 1HB LYS 87 HB2 LYS 87 139.140 -5.919 -15.554 678 2HB LYS 87 HB1 LYS 87 140.815 -5.405 -15.753 679 1HG LYS 87 HG2 LYS 87 141.533 -7.658 -16.212 680 2HG LYS 87 HG1 LYS 87 139.955 -8.309 -15.767 681 1HD LYS 87 HD2 LYS 87 139.845 -8.259 -18.111 682 2HD LYS 87 HD1 LYS 87 139.050 -6.751 -17.655 683 1HE LYS 87 HE2 LYS 87 140.560 -6.057 -19.316 684 2HE LYS 87 HE1 LYS 87 141.436 -5.716 -17.824 685 1HZ LYS 87 HZ1 LYS 87 142.435 -7.986 -18.074 686 2HZ LYS 87 HZ3 LYS 87 141.774 -8.035 -19.635 687 3HZ LYS 87 HZ2 LYS 87 142.921 -6.848 -19.238 688 H GLN 88 HN GLN 88 142.024 -4.489 -13.699 689 HA GLN 88 HA GLN 88 144.535 -5.796 -14.097 690 1HB GLN 88 HB2 GLN 88 143.848 -3.230 -14.065 691 2HB GLN 88 HB1 GLN 88 144.350 -3.350 -12.379 692 1HG GLN 88 HG2 GLN 88 146.554 -4.046 -12.983 693 2HG GLN 88 HG1 GLN 88 146.080 -4.326 -14.659 694 1HE2 GLN 88 HE22 GLN 88 147.616 -0.808 -13.877 695 2HE2 GLN 88 HE21 GLN 88 147.967 -2.270 -13.089 696 H HIS 89 HN HIS 89 142.555 -5.278 -11.240 697 HA HIS 89 HA HIS 89 144.627 -6.696 -9.611 698 1HB HIS 89 HB2 HIS 89 142.466 -4.767 -8.708 699 2HB HIS 89 HB1 HIS 89 143.603 -5.594 -7.644 700 HD1 HIS 89 HD1 HIS 89 143.467 -2.438 -8.047 701 HD2 HIS 89 HD2 HIS 89 146.193 -5.007 -9.879 702 HE1 HIS 89 HE1 HIS 89 145.468 -1.022 -8.685 703 HA PRO 90 HA PRO 90 141.114 -9.664 -9.834 704 1HB PRO 90 HB2 PRO 90 142.864 -11.864 -9.775 705 2HB PRO 90 HB1 PRO 90 142.108 -11.166 -11.213 706 1HG PRO 90 HG2 PRO 90 144.870 -11.129 -10.481 707 2HG PRO 90 HG1 PRO 90 144.109 -10.438 -11.920 708 1HD PRO 90 HD2 PRO 90 145.055 -9.082 -9.515 709 2HD PRO 90 HD1 PRO 90 144.580 -8.391 -11.075 710 H ASP 91 HN ASP 91 143.939 -9.509 -7.746 711 HA ASP 91 HA ASP 91 143.017 -11.385 -5.760 712 1HB ASP 91 HB2 ASP 91 145.393 -10.405 -6.093 713 2HB ASP 91 HB1 ASP 91 144.800 -9.023 -5.171 714 H GLN 92 HN GLN 92 142.450 -7.963 -6.340 715 HA GLN 92 HA GLN 92 141.044 -7.655 -3.756 716 1HB GLN 92 HB2 GLN 92 141.953 -5.820 -5.935 717 2HB GLN 92 HB1 GLN 92 140.586 -5.312 -4.945 718 1HG GLN 92 HG2 GLN 92 142.204 -4.529 -3.542 719 2HG GLN 92 HG1 GLN 92 142.293 -6.211 -3.016 720 1HE2 GLN 92 HE22 GLN 92 145.723 -6.119 -3.866 721 2HE2 GLN 92 HE21 GLN 92 144.566 -6.341 -2.643 722 H GLU 93 HN GLU 93 138.795 -6.813 -3.759 723 HA GLU 93 HA GLU 93 137.237 -7.848 -6.098 724 1HB GLU 93 HB2 GLU 93 136.573 -7.858 -3.141 725 2HB GLU 93 HB1 GLU 93 135.390 -8.214 -4.402 726 1HG GLU 93 HG2 GLU 93 138.010 -9.682 -4.388 727 2HG GLU 93 HG1 GLU 93 136.732 -10.183 -3.280 728 H LEU 94 HN LEU 94 135.163 -6.695 -6.463 729 HA LEU 94 HA LEU 94 135.508 -3.788 -5.992 730 1HB LEU 94 HB2 LEU 94 134.923 -4.921 -8.273 731 2HB LEU 94 HB1 LEU 94 133.289 -5.020 -7.614 732 HG LEU 94 HG LEU 94 133.446 -2.541 -7.118 733 1HD1 LEU 94 HD13 LEU 94 136.008 -2.956 -8.659 734 2HD1 LEU 94 HD12 LEU 94 135.197 -1.391 -8.636 735 3HD1 LEU 94 HD11 LEU 94 135.772 -2.107 -7.131 736 1HD2 LEU 94 HD21 LEU 94 133.695 -3.488 -9.990 737 2HD2 LEU 94 HD23 LEU 94 132.205 -3.331 -9.061 738 3HD2 LEU 94 HD22 LEU 94 133.114 -1.891 -9.519 739 H VAL 95 HN VAL 95 134.594 -3.033 -4.147 740 HA VAL 95 HA VAL 95 132.019 -4.253 -3.238 741 HB VAL 95 HB VAL 95 133.990 -2.602 -1.627 742 1HG1 VAL 95 HG13 VAL 95 131.656 -2.574 -0.809 743 2HG1 VAL 95 HG12 VAL 95 131.637 -4.337 -0.812 744 3HG1 VAL 95 HG11 VAL 95 132.705 -3.468 0.290 745 1HG2 VAL 95 HG22 VAL 95 134.921 -4.794 -2.406 746 2HG2 VAL 95 HG21 VAL 95 134.722 -4.714 -0.655 747 3HG2 VAL 95 HG23 VAL 95 133.558 -5.606 -1.635 748 H ILE 96 HN ILE 96 130.227 -2.986 -3.336 749 HA ILE 96 HA ILE 96 130.592 -0.105 -4.005 750 HB ILE 96 HB ILE 96 128.056 -1.757 -4.166 751 1HG1 ILE 96 HG12 ILE 96 129.791 -2.733 -5.627 752 2HG1 ILE 96 HG11 ILE 96 128.535 -1.952 -6.585 753 1HG2 ILE 96 HG21 ILE 96 128.892 0.903 -5.355 754 2HG2 ILE 96 HG23 ILE 96 127.395 0.060 -5.751 755 3HG2 ILE 96 HG22 ILE 96 127.670 0.644 -4.110 756 1HD1 ILE 96 HD13 ILE 96 130.041 0.122 -6.600 757 2HD1 ILE 96 HD12 ILE 96 131.315 -0.925 -5.973 758 3HD1 ILE 96 HD11 ILE 96 130.602 -1.253 -7.553 759 H ALA 97 HN ALA 97 130.118 1.408 -2.486 760 HA ALA 97 HA ALA 97 128.644 0.512 -0.043 761 1HB ALA 97 HB2 ALA 97 131.109 1.480 -0.025 762 2HB ALA 97 HB1 ALA 97 130.269 3.028 -0.119 763 3HB ALA 97 HB3 ALA 97 129.961 1.939 1.232 764 H GLY 98 HN GLY 98 128.739 2.877 -2.630 765 1HA GLY 98 HA2 GLY 98 126.101 3.569 -2.746 766 2HA GLY 98 HA1 GLY 98 126.677 4.576 -1.417 767 H GLY 99 HN GLY 99 127.205 6.812 -4.246 768 1HA GLY 99 HA2 GLY 99 125.542 6.136 -1.929 769 2HA GLY 99 HA1 GLY 99 125.309 7.509 -3.011 770 H ALA 100 HN ALA 100 123.023 6.972 -3.099 771 HA ALA 100 HA ALA 100 122.032 4.437 -4.000 772 1HB ALA 100 HB3 ALA 100 120.883 7.232 -4.015 773 2HB ALA 100 HB2 ALA 100 119.988 5.856 -4.661 774 3HB ALA 100 HB1 ALA 100 120.457 5.883 -2.961 775 H GLN 101 HN GLN 101 123.045 7.368 -5.711 776 HA GLN 101 HA GLN 101 122.132 6.604 -8.315 777 1HB GLN 101 HB2 GLN 101 124.234 8.491 -7.282 778 2HB GLN 101 HB1 GLN 101 124.127 8.161 -9.011 779 1HG GLN 101 HG2 GLN 101 121.665 8.734 -8.871 780 2HG GLN 101 HG1 GLN 101 121.960 9.290 -7.223 781 1HE2 GLN 101 HE22 GLN 101 123.314 12.369 -8.260 782 2HE2 GLN 101 HE21 GLN 101 122.754 11.405 -6.981 783 H ILE 102 HN ILE 102 125.005 5.784 -6.459 784 HA ILE 102 HA ILE 102 126.424 4.592 -8.705 785 HB ILE 102 HB ILE 102 126.840 4.132 -5.738 786 1HG1 ILE 102 HG12 ILE 102 126.911 6.541 -6.286 787 2HG1 ILE 102 HG11 ILE 102 128.519 5.939 -5.887 788 1HG2 ILE 102 HG22 ILE 102 128.504 3.645 -8.211 789 2HG2 ILE 102 HG21 ILE 102 129.235 3.771 -6.611 790 3HG2 ILE 102 HG23 ILE 102 128.063 2.498 -6.947 791 1HD1 ILE 102 HD13 ILE 102 129.027 5.721 -8.303 792 2HD1 ILE 102 HD12 ILE 102 127.428 6.354 -8.689 793 3HD1 ILE 102 HD11 ILE 102 128.610 7.382 -7.881 794 H PHE 103 HN PHE 103 124.334 3.407 -6.098 795 HA PHE 103 HA PHE 103 124.695 0.613 -6.570 796 1HB PHE 103 HB2 PHE 103 122.427 2.225 -5.392 797 2HB PHE 103 HB1 PHE 103 122.342 0.470 -5.532 798 HD1 PHE 103 HD2 PHE 103 124.978 -0.497 -4.912 799 HD2 PHE 103 HD1 PHE 103 122.860 2.814 -3.179 800 HE1 PHE 103 HE2 PHE 103 126.314 -0.729 -2.838 801 HE2 PHE 103 HE1 PHE 103 124.198 2.582 -1.104 802 HZ PHE 103 HZ PHE 103 125.924 0.809 -0.933 803 H THR 104 HN THR 104 122.446 2.979 -7.973 804 HA THR 104 HA THR 104 120.876 1.139 -9.492 805 HB THR 104 HB THR 104 121.570 3.965 -10.329 806 HG1 THR 104 HG1 THR 104 120.812 4.375 -8.396 807 1HG2 THR 104 HG21 THR 104 120.287 2.606 -11.940 808 2HG2 THR 104 HG23 THR 104 119.097 2.248 -10.690 809 3HG2 THR 104 HG22 THR 104 119.295 3.901 -11.273 810 H ALA 105 HN ALA 105 123.977 2.701 -10.140 811 HA ALA 105 HA ALA 105 124.157 1.977 -12.915 812 1HB ALA 105 HB3 ALA 105 125.604 3.692 -11.858 813 2HB ALA 105 HB2 ALA 105 126.392 2.428 -10.912 814 3HB ALA 105 HB1 ALA 105 126.556 2.449 -12.668 815 H PHE 106 HN PHE 106 125.272 0.382 -9.931 816 HA PHE 106 HA PHE 106 126.029 -2.007 -11.542 817 1HB PHE 106 HB2 PHE 106 126.580 -1.335 -8.635 818 2HB PHE 106 HB1 PHE 106 127.167 -2.766 -9.481 819 HD1 PHE 106 HD2 PHE 106 128.419 -2.266 -11.773 820 HD2 PHE 106 HD1 PHE 106 127.951 0.551 -8.564 821 HE1 PHE 106 HE2 PHE 106 130.353 -0.969 -12.628 822 HE2 PHE 106 HE1 PHE 106 129.885 1.846 -9.419 823 HZ PHE 106 HZ PHE 106 131.086 1.086 -11.451 824 H LYS 107 HN LYS 107 123.259 -1.437 -11.220 825 HA LYS 107 HA LYS 107 122.213 -3.084 -9.036 826 1HB LYS 107 HB2 LYS 107 121.006 -1.082 -9.979 827 2HB LYS 107 HB1 LYS 107 120.744 -2.007 -11.459 828 1HG LYS 107 HG2 LYS 107 119.624 -3.780 -10.079 829 2HG LYS 107 HG1 LYS 107 119.762 -2.715 -8.680 830 1HD LYS 107 HD2 LYS 107 118.252 -1.154 -9.552 831 2HD LYS 107 HD1 LYS 107 118.492 -1.704 -11.211 832 1HE LYS 107 HE2 LYS 107 117.311 -3.557 -9.155 833 2HE LYS 107 HE1 LYS 107 116.292 -2.379 -9.981 834 1HZ LYS 107 HZ2 LYS 107 117.080 -3.274 -12.102 835 2HZ LYS 107 HZ1 LYS 107 117.981 -4.451 -11.272 836 3HZ LYS 107 HZ3 LYS 107 116.288 -4.456 -11.173 837 H ASP 108 HN ASP 108 122.944 -3.471 -12.450 838 HA ASP 108 HA ASP 108 121.740 -6.190 -12.442 839 1HB ASP 108 HB2 ASP 108 122.675 -4.302 -14.588 840 2HB ASP 108 HB1 ASP 108 122.541 -6.026 -14.935 841 H ASP 109 HN ASP 109 124.163 -5.589 -10.907 842 HA ASP 109 HA ASP 109 125.850 -7.738 -11.968 843 1HB ASP 109 HB2 ASP 109 126.738 -4.857 -11.926 844 2HB ASP 109 HB1 ASP 109 127.911 -6.161 -11.746 845 H VAL 110 HN VAL 110 124.851 -8.418 -9.826 846 HA VAL 110 HA VAL 110 126.826 -8.085 -7.712 847 HB VAL 110 HB VAL 110 125.487 -6.036 -7.386 848 1HG1 VAL 110 HG11 VAL 110 123.388 -7.190 -8.391 849 2HG1 VAL 110 HG13 VAL 110 123.110 -7.776 -6.750 850 3HG1 VAL 110 HG12 VAL 110 123.155 -6.043 -7.072 851 1HG2 VAL 110 HG23 VAL 110 125.136 -8.234 -5.331 852 2HG2 VAL 110 HG22 VAL 110 126.378 -6.983 -5.370 853 3HG2 VAL 110 HG21 VAL 110 124.705 -6.554 -5.015 854 H ASP 111 HN ASP 111 126.829 -9.898 -6.434 855 HA ASP 111 HA ASP 111 124.511 -11.772 -6.724 856 1HB ASP 111 HB2 ASP 111 126.192 -13.598 -6.347 857 2HB ASP 111 HB1 ASP 111 126.475 -12.689 -7.832 858 H THR 112 HN THR 112 127.081 -10.605 -4.561 859 HA THR 112 HA THR 112 125.658 -11.804 -2.242 860 HB THR 112 HB THR 112 128.293 -10.314 -2.203 861 HG1 THR 112 HG1 THR 112 129.264 -12.088 -2.835 862 1HG2 THR 112 HG23 THR 112 126.982 -12.354 -0.386 863 2HG2 THR 112 HG22 THR 112 128.634 -11.766 -0.190 864 3HG2 THR 112 HG21 THR 112 127.276 -10.653 -0.025 865 H LEU 113 HN LEU 113 124.259 -10.531 -1.141 866 HA LEU 113 HA LEU 113 124.585 -7.566 -1.351 867 1HB LEU 113 HB2 LEU 113 122.109 -9.215 -0.752 868 2HB LEU 113 HB1 LEU 113 122.166 -7.453 -0.820 869 HG LEU 113 HG LEU 113 123.208 -8.992 -3.164 870 1HD1 LEU 113 HD12 LEU 113 120.317 -8.716 -2.355 871 2HD1 LEU 113 HD11 LEU 113 120.774 -8.807 -4.055 872 3HD1 LEU 113 HD13 LEU 113 121.158 -10.141 -2.966 873 1HD2 LEU 113 HD23 LEU 113 123.124 -6.389 -2.710 874 2HD2 LEU 113 HD22 LEU 113 122.751 -7.016 -4.315 875 3HD2 LEU 113 HD21 LEU 113 121.445 -6.562 -3.221 876 H LEU 114 HN LEU 114 125.840 -7.086 0.440 877 HA LEU 114 HA LEU 114 125.160 -8.293 3.058 878 1HB LEU 114 HB2 LEU 114 127.384 -6.443 2.157 879 2HB LEU 114 HB1 LEU 114 127.165 -6.954 3.831 880 HG LEU 114 HG LEU 114 127.344 -8.965 1.587 881 1HD1 LEU 114 HD13 LEU 114 129.565 -7.588 3.106 882 2HD1 LEU 114 HD12 LEU 114 129.779 -9.182 2.383 883 3HD1 LEU 114 HD11 LEU 114 129.402 -7.794 1.362 884 1HD2 LEU 114 HD22 LEU 114 127.775 -9.017 4.589 885 2HD2 LEU 114 HD21 LEU 114 126.502 -9.831 3.680 886 3HD2 LEU 114 HD23 LEU 114 128.176 -10.366 3.525 887 H VAL 115 HN VAL 115 123.824 -7.262 4.459 888 HA VAL 115 HA VAL 115 123.666 -4.299 4.393 889 HB VAL 115 HB VAL 115 121.858 -5.112 2.915 890 1HG1 VAL 115 HG12 VAL 115 121.691 -7.332 4.251 891 2HG1 VAL 115 HG11 VAL 115 120.605 -6.438 5.313 892 3HG1 VAL 115 HG13 VAL 115 120.203 -6.637 3.608 893 1HG2 VAL 115 HG22 VAL 115 121.497 -3.092 4.313 894 2HG2 VAL 115 HG21 VAL 115 119.994 -3.971 4.037 895 3HG2 VAL 115 HG23 VAL 115 120.823 -4.109 5.586 896 H THR 116 HN THR 116 123.343 -3.420 6.420 897 HA THR 116 HA THR 116 123.169 -5.359 8.680 898 HB THR 116 HB THR 116 124.014 -2.448 8.765 899 HG1 THR 116 HG1 THR 116 126.092 -3.219 8.661 900 1HG2 THR 116 HG23 THR 116 123.231 -3.514 10.890 901 2HG2 THR 116 HG22 THR 116 124.494 -4.729 10.699 902 3HG2 THR 116 HG21 THR 116 124.928 -3.036 10.935 903 H ARG 117 HN ARG 117 120.995 -5.605 9.103 904 HA ARG 117 HA ARG 117 119.127 -3.368 8.918 905 1HB ARG 117 HB2 ARG 117 118.968 -6.273 9.563 906 2HB ARG 117 HB1 ARG 117 117.698 -5.238 10.217 907 1HG ARG 117 HG2 ARG 117 117.747 -4.274 7.715 908 2HG ARG 117 HG1 ARG 117 118.325 -5.906 7.380 909 1HD ARG 117 HD2 ARG 117 116.029 -5.828 9.220 910 2HD ARG 117 HD1 ARG 117 115.673 -5.193 7.615 911 HE ARG 117 HE ARG 117 117.115 -7.704 7.479 912 1HH1 ARG 117 HH21 ARG 117 113.959 -6.272 7.950 913 2HH1 ARG 117 HH22 ARG 117 113.126 -7.677 7.384 914 1HH2 ARG 117 HH11 ARG 117 115.996 -9.500 6.754 915 2HH2 ARG 117 HH12 ARG 117 114.265 -9.486 6.714 916 H LEU 118 HN LEU 118 118.598 -1.985 10.540 917 HA LEU 118 HA LEU 118 119.786 -2.465 13.223 918 1HB LEU 118 HB2 LEU 118 118.910 -0.055 11.689 919 2HB LEU 118 HB1 LEU 118 118.816 0.014 13.449 920 HG LEU 118 HG LEU 118 121.258 -0.982 13.312 921 1HD1 LEU 118 HD11 LEU 118 120.904 0.396 10.634 922 2HD1 LEU 118 HD13 LEU 118 122.457 -0.074 11.323 923 3HD1 LEU 118 HD12 LEU 118 121.275 -1.309 10.890 924 1HD2 LEU 118 HD21 LEU 118 120.589 1.907 12.662 925 2HD2 LEU 118 HD23 LEU 118 120.681 1.204 14.277 926 3HD2 LEU 118 HD22 LEU 118 122.136 1.342 13.291 927 H ALA 119 HN ALA 119 118.217 -1.271 14.973 928 HA ALA 119 HA ALA 119 115.543 -2.571 14.635 929 1HB ALA 119 HB3 ALA 119 116.932 -3.593 16.411 930 2HB ALA 119 HB2 ALA 119 117.079 -2.018 17.192 931 3HB ALA 119 HB1 ALA 119 115.505 -2.806 17.087 932 H GLY 120 HN GLY 120 117.247 0.231 16.023 933 1HA GLY 120 HA2 GLY 120 114.878 1.646 16.831 934 2HA GLY 120 HA1 GLY 120 116.463 2.378 16.571 935 H SER 121 HN SER 121 113.632 3.150 15.708 936 HA SER 121 HA SER 121 113.793 3.019 12.770 937 1HB SER 121 HB2 SER 121 111.706 4.539 13.020 938 2HB SER 121 HB1 SER 121 111.574 2.868 13.561 939 HG SER 121 HG SER 121 111.129 3.659 15.447 940 H PHE 122 HN PHE 122 113.907 4.949 11.441 941 HA PHE 122 HA PHE 122 114.756 7.460 12.750 942 1HB PHE 122 HB2 PHE 122 116.518 6.006 10.751 943 2HB PHE 122 HB1 PHE 122 116.836 7.597 11.441 944 HD1 PHE 122 HD2 PHE 122 117.197 7.822 13.928 945 HD2 PHE 122 HD1 PHE 122 117.027 4.011 11.955 946 HE1 PHE 122 HE2 PHE 122 118.276 6.758 15.891 947 HE2 PHE 122 HE1 PHE 122 118.107 2.946 13.917 948 HZ PHE 122 HZ PHE 122 118.731 4.319 15.886 949 H GLU 123 HN GLU 123 114.798 9.264 11.202 950 HA GLU 123 HA GLU 123 113.122 8.698 8.787 951 1HB GLU 123 HB2 GLU 123 112.376 11.085 9.014 952 2HB GLU 123 HB1 GLU 123 111.915 10.076 10.386 953 1HG GLU 123 HG2 GLU 123 113.569 11.001 11.782 954 2HG GLU 123 HG1 GLU 123 114.500 11.624 10.418 955 H GLY 124 HN GLY 124 113.647 9.886 6.857 956 1HA GLY 124 HA2 GLY 124 115.730 11.786 6.586 957 2HA GLY 124 HA1 GLY 124 116.444 10.190 6.347 958 H ASP 125 HN ASP 125 116.725 11.416 4.135 959 HA ASP 125 HA ASP 125 114.317 10.891 2.438 960 1HB ASP 125 HB2 ASP 125 116.585 12.870 2.176 961 2HB ASP 125 HB1 ASP 125 115.568 12.440 0.798 962 H THR 126 HN THR 126 117.802 10.412 2.770 963 HA THR 126 HA THR 126 118.144 9.026 0.254 964 HB THR 126 HB THR 126 119.894 8.548 2.655 965 HG1 THR 126 HG1 THR 126 120.890 10.522 2.218 966 1HG2 THR 126 HG22 THR 126 120.353 7.421 0.485 967 2HG2 THR 126 HG21 THR 126 120.480 9.004 -0.283 968 3HG2 THR 126 HG23 THR 126 121.645 8.527 0.951 969 H LYS 127 HN LYS 127 117.186 7.103 -0.170 970 HA LYS 127 HA LYS 127 117.073 5.075 2.026 971 1HB LYS 127 HB2 LYS 127 114.956 5.703 -0.053 972 2HB LYS 127 HB1 LYS 127 114.916 4.292 1.006 973 1HG LYS 127 HG2 LYS 127 114.839 5.705 2.978 974 2HG LYS 127 HG1 LYS 127 115.058 7.153 1.996 975 1HD LYS 127 HD2 LYS 127 112.915 6.786 0.895 976 2HD LYS 127 HD1 LYS 127 112.706 5.255 1.747 977 1HE LYS 127 HE2 LYS 127 112.991 6.714 3.903 978 2HE LYS 127 HE1 LYS 127 112.573 8.055 2.837 979 1HZ LYS 127 HZ1 LYS 127 110.579 6.784 2.175 980 2HZ LYS 127 HZ3 LYS 127 110.960 5.616 3.343 981 3HZ LYS 127 HZ2 LYS 127 110.587 7.203 3.821 982 H MET 128 HN MET 128 116.892 2.810 1.128 983 HA MET 128 HA MET 128 118.800 2.495 -1.089 984 1HB MET 128 HB2 MET 128 118.806 1.087 1.038 985 2HB MET 128 HB1 MET 128 117.353 0.304 0.415 986 1HG MET 128 HG2 MET 128 119.118 -1.089 -0.324 987 2HG MET 128 HG1 MET 128 118.723 -0.107 -1.734 988 1HE MET 128 HE3 MET 128 120.717 -0.913 -2.672 989 2HE MET 128 HE2 MET 128 122.330 -0.239 -2.459 990 3HE MET 128 HE1 MET 128 121.788 -1.554 -1.418 991 H ILE 129 HN ILE 129 118.313 1.477 -3.072 992 HA ILE 129 HA ILE 129 115.688 1.926 -4.137 993 HB ILE 129 HB ILE 129 116.535 0.629 -6.104 994 1HG1 ILE 129 HG12 ILE 129 119.185 0.424 -4.704 995 2HG1 ILE 129 HG11 ILE 129 117.974 -0.830 -4.431 996 1HG2 ILE 129 HG22 ILE 129 117.096 3.095 -5.563 997 2HG2 ILE 129 HG21 ILE 129 118.690 2.494 -5.109 998 3HG2 ILE 129 HG23 ILE 129 118.102 2.278 -6.758 999 1HD1 ILE 129 HD13 ILE 129 117.783 -1.131 -6.899 1000 2HD1 ILE 129 HD12 ILE 129 119.079 0.044 -7.116 1001 3HD1 ILE 129 HD11 ILE 129 119.403 -1.486 -6.299 1002 HA PRO 130 HA PRO 130 113.616 -1.899 -3.195 1003 1HB PRO 130 HB2 PRO 130 112.044 -2.109 -5.495 1004 2HB PRO 130 HB1 PRO 130 111.652 -1.150 -4.062 1005 1HG PRO 130 HG2 PRO 130 112.329 -0.220 -6.687 1006 2HG PRO 130 HG1 PRO 130 111.893 0.733 -5.261 1007 1HD PRO 130 HD2 PRO 130 114.534 0.259 -6.416 1008 2HD PRO 130 HD1 PRO 130 114.040 1.453 -5.204 1009 H LEU 131 HN LEU 131 115.141 -3.574 -3.312 1010 HA LEU 131 HA LEU 131 115.912 -4.636 -5.966 1011 1HB LEU 131 HB2 LEU 131 116.743 -5.541 -3.190 1012 2HB LEU 131 HB1 LEU 131 117.463 -6.062 -4.713 1013 HG LEU 131 HG LEU 131 117.630 -3.334 -4.952 1014 1HD1 LEU 131 HD12 LEU 131 116.886 -3.583 -2.344 1015 2HD1 LEU 131 HD11 LEU 131 118.640 -3.664 -2.183 1016 3HD1 LEU 131 HD13 LEU 131 117.889 -2.265 -2.951 1017 1HD2 LEU 131 HD23 LEU 131 119.379 -5.201 -5.230 1018 2HD2 LEU 131 HD22 LEU 131 119.975 -3.642 -4.663 1019 3HD2 LEU 131 HD21 LEU 131 119.739 -4.964 -3.519 1020 H ASN 132 HN ASN 132 115.900 -7.150 -6.080 1021 HA ASN 132 HA ASN 132 113.167 -8.043 -5.324 1022 1HB ASN 132 HB2 ASN 132 114.057 -8.200 -7.719 1023 2HB ASN 132 HB1 ASN 132 115.120 -9.479 -7.132 1024 1HD2 ASN 132 HD22 ASN 132 112.568 -11.862 -7.503 1025 2HD2 ASN 132 HD21 ASN 132 114.217 -11.480 -7.619 1026 H TRP 133 HN TRP 133 113.051 -9.151 -3.439 1027 HA TRP 133 HA TRP 133 115.422 -10.677 -2.506 1028 1HB TRP 133 HB2 TRP 133 112.831 -9.985 -1.091 1029 2HB TRP 133 HB1 TRP 133 114.212 -10.799 -0.355 1030 HD1 TRP 133 HD1 TRP 133 112.933 -7.411 -1.368 1031 HE1 TRP 133 HE1 TRP 133 114.638 -5.603 -0.683 1032 HE3 TRP 133 HE3 TRP 133 116.875 -10.374 -0.040 1033 HZ2 TRP 133 HZ2 TRP 133 117.320 -5.435 0.297 1034 HZ3 TRP 133 HZ3 TRP 133 118.991 -9.364 0.766 1035 HH2 TRP 133 HH2 TRP 133 119.218 -6.901 0.936 1036 H ASP 134 HN ASP 134 112.989 -11.415 -4.529 1037 HA ASP 134 HA ASP 134 112.038 -13.890 -3.274 1038 1HB ASP 134 HB2 ASP 134 110.768 -12.370 -4.968 1039 2HB ASP 134 HB1 ASP 134 111.727 -13.202 -6.192 1040 H ASP 135 HN ASP 135 114.504 -12.900 -5.572 1041 HA ASP 135 HA ASP 135 115.194 -15.754 -6.085 1042 1HB ASP 135 HB2 ASP 135 114.929 -13.968 -7.960 1043 2HB ASP 135 HB1 ASP 135 116.503 -13.387 -7.415 1044 H PHE 136 HN PHE 136 115.740 -14.418 -3.523 1045 HA PHE 136 HA PHE 136 118.674 -14.879 -3.467 1046 1HB PHE 136 HB2 PHE 136 117.268 -12.386 -2.480 1047 2HB PHE 136 HB1 PHE 136 118.881 -12.850 -1.939 1048 HD1 PHE 136 HD2 PHE 136 116.851 -11.857 -4.875 1049 HD2 PHE 136 HD1 PHE 136 120.801 -12.650 -3.383 1050 HE1 PHE 136 HE2 PHE 136 117.825 -10.866 -6.928 1051 HE2 PHE 136 HE1 PHE 136 121.775 -11.659 -5.436 1052 HZ PHE 136 HZ PHE 136 120.288 -10.767 -7.209 1053 H THR 137 HN THR 137 119.338 -15.870 -1.571 1054 HA THR 137 HA THR 137 117.316 -16.144 0.611 1055 HB THR 137 HB THR 137 119.102 -18.369 -0.418 1056 HG1 THR 137 HG1 THR 137 117.308 -19.144 -1.401 1057 1HG2 THR 137 HG22 THR 137 116.964 -18.190 1.711 1058 2HG2 THR 137 HG21 THR 137 117.483 -19.728 1.021 1059 3HG2 THR 137 HG23 THR 137 118.637 -18.721 1.894 1060 H LYS 138 HN LYS 138 118.169 -15.983 2.669 1061 HA LYS 138 HA LYS 138 120.800 -14.860 2.992 1062 1HB LYS 138 HB2 LYS 138 118.715 -14.597 4.510 1063 2HB LYS 138 HB1 LYS 138 119.216 -16.131 5.224 1064 1HG LYS 138 HG2 LYS 138 121.151 -15.237 6.132 1065 2HG LYS 138 HG1 LYS 138 121.269 -13.976 4.904 1066 1HD LYS 138 HD2 LYS 138 120.592 -12.791 6.823 1067 2HD LYS 138 HD1 LYS 138 119.078 -13.053 5.956 1068 1HE LYS 138 HE2 LYS 138 119.949 -15.147 7.902 1069 2HE LYS 138 HE1 LYS 138 119.301 -13.639 8.547 1070 1HZ LYS 138 HZ1 LYS 138 117.420 -13.999 6.894 1071 2HZ LYS 138 HZ3 LYS 138 117.982 -15.594 6.768 1072 3HZ LYS 138 HZ2 LYS 138 117.452 -14.999 8.268 1073 H VAL 139 HN VAL 139 122.720 -15.845 3.556 1074 HA VAL 139 HA VAL 139 122.660 -18.825 3.799 1075 HB VAL 139 HB VAL 139 123.806 -18.010 1.768 1076 1HG1 VAL 139 HG13 VAL 139 125.596 -16.551 3.733 1077 2HG1 VAL 139 HG12 VAL 139 125.887 -16.684 1.998 1078 3HG1 VAL 139 HG11 VAL 139 124.481 -15.800 2.591 1079 1HG2 VAL 139 HG21 VAL 139 124.645 -20.051 2.895 1080 2HG2 VAL 139 HG23 VAL 139 125.953 -19.166 2.112 1081 3HG2 VAL 139 HG22 VAL 139 125.740 -19.061 3.860 1082 H SER 140 HN SER 140 124.019 -15.827 5.086 1083 HA SER 140 HA SER 140 124.616 -17.248 7.617 1084 1HB SER 140 HB2 SER 140 126.693 -17.121 6.056 1085 2HB SER 140 HB1 SER 140 126.690 -15.402 6.442 1086 HG SER 140 HG SER 140 127.744 -17.291 7.858 1087 H SER 141 HN SER 141 124.250 -15.943 9.392 1088 HA SER 141 HA SER 141 124.038 -13.011 9.016 1089 1HB SER 141 HB2 SER 141 121.766 -13.849 8.576 1090 2HB SER 141 HB1 SER 141 121.785 -14.730 10.102 1091 HG SER 141 HG SER 141 121.625 -12.880 11.188 1092 H ARG 142 HN ARG 142 123.800 -11.908 11.176 1093 HA ARG 142 HA ARG 142 124.442 -13.500 13.559 1094 1HB ARG 142 HB2 ARG 142 126.629 -13.020 12.241 1095 2HB ARG 142 HB1 ARG 142 126.412 -11.354 12.779 1096 1HG ARG 142 HG2 ARG 142 126.193 -12.277 15.144 1097 2HG ARG 142 HG1 ARG 142 126.751 -13.821 14.497 1098 1HD ARG 142 HD2 ARG 142 128.856 -12.911 13.858 1099 2HD ARG 142 HD1 ARG 142 128.288 -11.254 14.066 1100 HE ARG 142 HE ARG 142 128.018 -12.415 16.584 1101 1HH1 ARG 142 HH21 ARG 142 130.628 -11.933 14.305 1102 2HH1 ARG 142 HH22 ARG 142 131.828 -11.844 15.547 1103 1HH2 ARG 142 HH11 ARG 142 129.605 -12.293 18.157 1104 2HH2 ARG 142 HH12 ARG 142 131.259 -12.046 17.705 1105 H THR 143 HN THR 143 123.197 -12.579 15.099 1106 HA THR 143 HA THR 143 122.303 -9.787 14.810 1107 HB THR 143 HB THR 143 121.679 -11.543 17.173 1108 HG1 THR 143 HG1 THR 143 119.916 -12.316 15.834 1109 1HG2 THR 143 HG22 THR 143 120.146 -9.465 15.588 1110 2HG2 THR 143 HG21 THR 143 119.497 -10.360 16.962 1111 3HG2 THR 143 HG23 THR 143 120.848 -9.249 17.191 1112 H VAL 144 HN VAL 144 123.396 -8.132 15.727 1113 HA VAL 144 HA VAL 144 125.166 -8.734 18.066 1114 HB VAL 144 HB VAL 144 125.496 -6.522 16.016 1115 1HG1 VAL 144 HG11 VAL 144 126.455 -6.062 18.253 1116 2HG1 VAL 144 HG13 VAL 144 127.345 -7.582 18.176 1117 3HG1 VAL 144 HG12 VAL 144 127.719 -6.283 17.043 1118 1HG2 VAL 144 HG23 VAL 144 126.642 -9.303 16.224 1119 2HG2 VAL 144 HG22 VAL 144 125.964 -8.494 14.812 1120 3HG2 VAL 144 HG21 VAL 144 127.546 -8.015 15.427 1121 H GLU 145 HN GLU 145 124.492 -7.788 19.920 1122 HA GLU 145 HA GLU 145 122.480 -5.615 19.781 1123 1HB GLU 145 HB2 GLU 145 123.542 -7.167 22.163 1124 2HB GLU 145 HB1 GLU 145 122.190 -6.032 22.189 1125 1HG GLU 145 HG2 GLU 145 122.107 -8.277 20.214 1126 2HG GLU 145 HG1 GLU 145 121.776 -8.646 21.906 1127 H ASP 146 HN ASP 146 122.796 -3.621 20.938 1128 HA ASP 146 HA ASP 146 125.675 -2.979 21.448 1129 1HB ASP 146 HB2 ASP 146 124.155 -1.846 19.521 1130 2HB ASP 146 HB1 ASP 146 123.754 -0.782 20.869 1131 H THR 147 HN THR 147 125.517 -0.658 22.794 1132 HA THR 147 HA THR 147 124.706 -1.423 25.428 1133 HB THR 147 HB THR 147 125.089 1.015 25.964 1134 HG1 THR 147 HG1 THR 147 125.489 2.388 24.367 1135 1HG2 THR 147 HG22 THR 147 127.160 -0.466 24.327 1136 2HG2 THR 147 HG21 THR 147 127.513 0.963 25.298 1137 3HG2 THR 147 HG23 THR 147 126.955 -0.517 26.077 1138 H ASN 148 HN ASN 148 123.170 0.642 22.975 1139 HA ASN 148 HA ASN 148 120.769 0.882 24.723 1140 1HB ASN 148 HB2 ASN 148 121.688 2.366 22.253 1141 2HB ASN 148 HB1 ASN 148 120.053 2.529 22.892 1142 1HD2 ASN 148 HD22 ASN 148 121.194 5.029 25.089 1143 2HD2 ASN 148 HD21 ASN 148 120.041 4.537 23.944 1144 HA PRO 149 HA PRO 149 118.399 -1.859 22.138 1145 1HB PRO 149 HB2 PRO 149 115.912 -0.588 22.326 1146 2HB PRO 149 HB1 PRO 149 116.577 -1.741 23.490 1147 1HG PRO 149 HG2 PRO 149 116.111 1.062 23.846 1148 2HG PRO 149 HG1 PRO 149 116.747 -0.103 25.016 1149 1HD PRO 149 HD2 PRO 149 118.187 1.900 23.449 1150 2HD PRO 149 HD1 PRO 149 118.740 0.960 24.844 1151 H ALA 150 HN ALA 150 118.222 1.584 21.444 1152 HA ALA 150 HA ALA 150 116.985 1.215 18.817 1153 1HB ALA 150 HB3 ALA 150 116.701 3.287 20.215 1154 2HB ALA 150 HB2 ALA 150 118.399 3.658 19.919 1155 3HB ALA 150 HB1 ALA 150 117.261 3.609 18.574 1156 H LEU 151 HN LEU 151 120.214 1.140 20.095 1157 HA LEU 151 HA LEU 151 121.407 1.607 17.420 1158 1HB LEU 151 HB2 LEU 151 122.639 1.188 20.158 1159 2HB LEU 151 HB1 LEU 151 123.575 1.407 18.679 1160 HG LEU 151 HG LEU 151 121.469 3.389 19.557 1161 1HD1 LEU 151 HD11 LEU 151 123.478 2.946 21.194 1162 2HD1 LEU 151 HD13 LEU 151 124.413 3.820 19.981 1163 3HD1 LEU 151 HD12 LEU 151 123.048 4.605 20.776 1164 1HD2 LEU 151 HD21 LEU 151 123.677 3.282 17.514 1165 2HD2 LEU 151 HD23 LEU 151 121.998 3.776 17.305 1166 3HD2 LEU 151 HD22 LEU 151 123.132 4.839 18.137 1167 H THR 152 HN THR 152 119.787 -0.838 18.118 1168 HA THR 152 HA THR 152 121.733 -3.026 18.237 1169 HB THR 152 HB THR 152 118.804 -3.242 17.510 1170 HG1 THR 152 HG1 THR 152 118.556 -3.538 19.814 1171 1HG2 THR 152 HG21 THR 152 120.849 -5.086 18.761 1172 2HG2 THR 152 HG23 THR 152 119.122 -5.436 18.738 1173 3HG2 THR 152 HG22 THR 152 120.013 -5.296 17.222 1174 H HIS 153 HN HIS 153 122.258 -4.412 16.487 1175 HA HIS 153 HA HIS 153 121.174 -3.764 13.812 1176 1HB HIS 153 HB2 HIS 153 123.488 -3.577 12.870 1177 2HB HIS 153 HB1 HIS 153 123.074 -2.257 13.963 1178 HD1 HIS 153 HD1 HIS 153 123.835 -2.815 16.601 1179 HD2 HIS 153 HD2 HIS 153 125.894 -4.748 13.534 1180 HE1 HIS 153 HE1 HIS 153 126.018 -3.622 17.602 1181 H THR 154 HN THR 154 121.642 -5.435 12.238 1182 HA THR 154 HA THR 154 122.801 -7.947 13.346 1183 HB THR 154 HB THR 154 120.179 -7.797 11.825 1184 HG1 THR 154 HG1 THR 154 119.370 -7.444 13.712 1185 1HG2 THR 154 HG23 THR 154 121.919 -9.873 11.895 1186 2HG2 THR 154 HG22 THR 154 120.994 -10.199 13.361 1187 3HG2 THR 154 HG21 THR 154 120.171 -10.081 11.806 1188 H TYR 155 HN TYR 155 124.385 -8.553 11.964 1189 HA TYR 155 HA TYR 155 124.586 -7.462 9.279 1190 1HB TYR 155 HB2 TYR 155 126.147 -9.688 10.630 1191 2HB TYR 155 HB1 TYR 155 126.584 -8.922 9.102 1192 HD1 TYR 155 HD2 TYR 155 126.643 -6.247 9.200 1193 HD2 TYR 155 HD1 TYR 155 127.114 -8.858 12.579 1194 HE1 TYR 155 HE2 TYR 155 127.802 -4.437 10.438 1195 HE2 TYR 155 HE1 TYR 155 128.274 -7.048 13.816 1196 HH TYR 155 HH TYR 155 128.103 -4.145 13.411 1197 H GLU 156 HN GLU 156 123.466 -8.240 7.568 1198 HA GLU 156 HA GLU 156 122.648 -11.119 7.606 1199 1HB GLU 156 HB2 GLU 156 121.347 -8.759 6.209 1200 2HB GLU 156 HB1 GLU 156 120.794 -10.431 6.107 1201 1HG GLU 156 HG2 GLU 156 120.658 -10.383 8.667 1202 2HG GLU 156 HG1 GLU 156 120.836 -8.633 8.534 1203 H VAL 157 HN VAL 157 123.410 -12.387 5.971 1204 HA VAL 157 HA VAL 157 124.805 -11.020 3.702 1205 HB VAL 157 HB VAL 157 125.358 -13.783 4.826 1206 1HG1 VAL 157 HG12 VAL 157 126.519 -12.087 2.635 1207 2HG1 VAL 157 HG11 VAL 157 127.564 -13.209 3.505 1208 3HG1 VAL 157 HG13 VAL 157 126.155 -13.813 2.633 1209 1HG2 VAL 157 HG22 VAL 157 126.418 -11.065 5.485 1210 2HG2 VAL 157 HG21 VAL 157 126.183 -12.462 6.536 1211 3HG2 VAL 157 HG23 VAL 157 127.565 -12.404 5.442 1212 H TRP 158 HN TRP 158 123.206 -11.031 2.139 1213 HA TRP 158 HA TRP 158 121.645 -13.504 1.669 1214 1HB TRP 158 HB2 TRP 158 121.525 -10.769 0.361 1215 2HB TRP 158 HB1 TRP 158 120.431 -12.105 0.004 1216 HD1 TRP 158 HD1 TRP 158 121.555 -9.984 3.034 1217 HE1 TRP 158 HE1 TRP 158 119.564 -9.794 4.663 1218 HE3 TRP 158 HE3 TRP 158 118.170 -12.961 0.639 1219 HZ2 TRP 158 HZ2 TRP 158 116.888 -10.775 4.913 1220 HZ3 TRP 158 HZ3 TRP 158 115.911 -13.316 1.590 1221 HH2 TRP 158 HH2 TRP 158 115.266 -12.229 3.724 1222 H GLN 159 HN GLN 159 121.722 -14.632 -0.335 1223 HA GLN 159 HA GLN 159 123.947 -13.891 -2.179 1224 1HB GLN 159 HB2 GLN 159 123.534 -16.461 -0.693 1225 2HB GLN 159 HB1 GLN 159 124.222 -16.523 -2.316 1226 1HG GLN 159 HG2 GLN 159 125.830 -14.669 -1.481 1227 2HG GLN 159 HG1 GLN 159 125.321 -15.156 0.135 1228 1HE2 GLN 159 HE22 GLN 159 127.969 -17.517 -0.069 1229 2HE2 GLN 159 HE21 GLN 159 127.433 -16.076 0.651 1230 H LYS 160 HN LYS 160 123.678 -14.803 -4.343 1231 HA LYS 160 HA LYS 160 120.823 -15.053 -5.065 1232 1HB LYS 160 HB2 LYS 160 122.532 -13.595 -6.316 1233 2HB LYS 160 HB1 LYS 160 123.177 -15.105 -6.961 1234 1HG LYS 160 HG2 LYS 160 120.662 -15.594 -7.558 1235 2HG LYS 160 HG1 LYS 160 120.493 -13.843 -7.429 1236 1HD LYS 160 HD2 LYS 160 122.037 -13.447 -9.175 1237 2HD LYS 160 HD1 LYS 160 122.690 -15.083 -9.084 1238 1HE LYS 160 HE2 LYS 160 120.862 -16.020 -10.188 1239 2HE LYS 160 HE1 LYS 160 119.787 -14.696 -9.742 1240 1HZ LYS 160 HZ1 LYS 160 121.150 -13.250 -11.208 1241 2HZ LYS 160 HZ3 LYS 160 121.976 -14.631 -11.741 1242 3HZ LYS 160 HZ2 LYS 160 120.310 -14.474 -12.034 1243 H LYS 161 HN LYS 161 120.095 -17.118 -4.689 1244 HA LYS 161 HA LYS 161 121.690 -19.488 -4.921 1245 1HB LYS 161 HB2 LYS 161 119.495 -20.678 -4.877 1246 2HB LYS 161 HB1 LYS 161 119.642 -19.476 -3.595 1247 1HG LYS 161 HG2 LYS 161 118.580 -17.985 -5.659 1248 2HG LYS 161 HG1 LYS 161 117.803 -19.551 -5.896 1249 1HD LYS 161 HD2 LYS 161 117.932 -18.352 -3.144 1250 2HD LYS 161 HD1 LYS 161 116.697 -17.809 -4.279 1251 1HE LYS 161 HE2 LYS 161 115.852 -19.661 -2.886 1252 2HE LYS 161 HE1 LYS 161 115.946 -20.141 -4.580 1253 1HZ LYS 161 HZ3 LYS 161 118.225 -20.630 -2.783 1254 2HZ LYS 161 HZ2 LYS 161 116.899 -21.691 -2.772 1255 3HZ LYS 161 HZ1 LYS 161 117.784 -21.451 -4.201 1256 H ALA 162 HN ALA 162 121.936 -20.931 -6.635 1257 HA ALA 162 HA ALA 162 120.414 -20.718 -9.097 1258 1HB ALA 162 HB3 ALA 162 123.298 -19.771 -9.114 1259 2HB ALA 162 HB2 ALA 162 122.291 -20.013 -10.542 1260 3HB ALA 162 HB1 ALA 162 121.882 -18.754 -9.377 1261 1HN2 MTX 170 1HN2 MTX 170 127.261 -1.286 7.919 1262 2HN2 MTX 170 2HN2 MTX 170 127.296 -1.744 6.285 1263 1HN4 MTX 170 1HN4 MTX 170 128.413 1.359 2.902 1264 2HN4 MTX 170 2HN4 MTX 170 128.788 2.963 3.309 1265 H7 MTX 170 H7 MTX 170 128.922 5.439 8.654 1266 1H9 MTX 170 H91 MTX 170 128.537 6.947 5.769 1267 2H9 MTX 170 H92 MTX 170 130.161 6.377 5.364 1268 1HM MTX 170 HM1 MTX 170 129.809 9.238 7.629 1269 2HM MTX 170 HM2 MTX 170 128.984 8.170 8.803 1270 3HM MTX 170 HM3 MTX 170 128.278 8.430 7.180 1271 H12 MTX 170 H13 MTX 170 132.932 7.028 10.778 1272 H13 MTX 170 H12 MTX 170 130.718 7.612 9.788 1273 H15 MTX 170 H16 MTX 170 132.025 6.037 5.962 1274 H16 MTX 170 H15 MTX 170 134.236 5.459 6.963 1275 HN MTX 170 HN MTX 170 135.147 4.198 8.332 1276 HA MTX 170 HA MTX 170 137.499 5.221 9.669 1277 1HB MTX 170 HB1 MTX 170 137.474 2.860 11.050 1278 2HB MTX 170 HB2 MTX 170 135.743 3.144 10.961 1279 1HG MTX 170 HG1 MTX 170 135.863 5.076 12.287 1280 2HG MTX 170 HG2 MTX 170 137.469 5.507 11.705 1281 HN1 MTX 170 H1N MTX 170 127.762 0.888 8.550 No H/Q in entry = 1281 Start of MODEL 7 1 1H THR 1 HT2 THR 1 132.111 -8.678 -7.273 2 2H THR 1 HT1 THR 1 132.728 -7.480 -8.308 3 3H THR 1 HT3 THR 1 133.023 -7.392 -6.639 4 HA THR 1 HA THR 1 131.336 -5.827 -7.057 5 HB THR 1 HB THR 1 129.190 -6.713 -8.185 6 HG1 THR 1 HG1 THR 1 131.065 -8.624 -9.117 7 1HG2 THR 1 HG22 THR 1 131.812 -6.279 -9.616 8 2HG2 THR 1 HG21 THR 1 130.295 -6.480 -10.493 9 3HG2 THR 1 HG23 THR 1 130.496 -5.131 -9.376 10 H ALA 2 HN ALA 2 130.289 -5.548 -5.153 11 HA ALA 2 HA ALA 2 128.520 -7.599 -4.060 12 1HB ALA 2 HB3 ALA 2 131.229 -7.059 -2.869 13 2HB ALA 2 HB2 ALA 2 129.882 -7.503 -1.821 14 3HB ALA 2 HB1 ALA 2 130.406 -8.601 -3.096 15 H PHE 3 HN PHE 3 126.847 -6.413 -3.317 16 HA PHE 3 HA PHE 3 127.069 -3.572 -2.797 17 1HB PHE 3 HB2 PHE 3 124.910 -5.635 -2.678 18 2HB PHE 3 HB1 PHE 3 124.664 -4.147 -1.766 19 HD1 PHE 3 HD1 PHE 3 126.421 -4.687 -5.043 20 HD2 PHE 3 HD2 PHE 3 123.095 -2.905 -2.987 21 HE1 PHE 3 HE1 PHE 3 125.764 -3.512 -7.122 22 HE2 PHE 3 HE2 PHE 3 122.442 -1.728 -5.068 23 HZ PHE 3 HZ PHE 3 123.775 -2.031 -7.136 24 H LEU 4 HN LEU 4 126.947 -2.508 -0.772 25 HA LEU 4 HA LEU 4 126.836 -4.068 1.714 26 1HB LEU 4 HB2 LEU 4 129.226 -4.262 0.981 27 2HB LEU 4 HB1 LEU 4 129.345 -2.504 1.031 28 HG LEU 4 HG LEU 4 128.472 -2.731 3.468 29 1HD1 LEU 4 HD12 LEU 4 129.157 -5.557 2.715 30 2HD1 LEU 4 HD11 LEU 4 129.436 -5.011 4.368 31 3HD1 LEU 4 HD13 LEU 4 127.811 -4.958 3.685 32 1HD2 LEU 4 HD23 LEU 4 130.810 -2.112 2.731 33 2HD2 LEU 4 HD22 LEU 4 130.740 -2.943 4.286 34 3HD2 LEU 4 HD21 LEU 4 131.232 -3.822 2.837 35 H TRP 5 HN TRP 5 125.407 -2.810 2.820 36 HA TRP 5 HA TRP 5 126.078 -0.002 3.325 37 1HB TRP 5 HB2 TRP 5 124.044 0.948 2.434 38 2HB TRP 5 HB1 TRP 5 124.803 0.014 1.150 39 HD1 TRP 5 HD1 TRP 5 121.596 0.481 2.846 40 HE1 TRP 5 HE1 TRP 5 119.945 -1.409 2.268 41 HE3 TRP 5 HE3 TRP 5 124.798 -2.880 0.695 42 HZ2 TRP 5 HZ2 TRP 5 119.971 -3.997 1.062 43 HZ3 TRP 5 HZ3 TRP 5 123.952 -5.048 -0.151 44 HH2 TRP 5 HH2 TRP 5 121.546 -5.609 0.027 45 H ALA 6 HN ALA 6 124.741 0.916 5.057 46 HA ALA 6 HA ALA 6 123.518 -1.220 6.757 47 1HB ALA 6 HB2 ALA 6 125.536 -0.005 7.666 48 2HB ALA 6 HB1 ALA 6 124.582 1.478 7.644 49 3HB ALA 6 HB3 ALA 6 124.098 0.134 8.678 50 H GLN 7 HN GLN 7 121.379 -1.015 7.289 51 HA GLN 7 HA GLN 7 120.057 1.627 7.004 52 1HB GLN 7 HB2 GLN 7 118.204 0.566 5.689 53 2HB GLN 7 HB1 GLN 7 119.736 0.618 4.816 54 1HG GLN 7 HG2 GLN 7 120.148 -1.685 5.163 55 2HG GLN 7 HG1 GLN 7 118.955 -1.789 6.458 56 1HE2 GLN 7 HE22 GLN 7 116.158 -1.780 4.132 57 2HE2 GLN 7 HE21 GLN 7 116.604 -1.137 5.638 58 H ASP 8 HN ASP 8 117.694 1.411 7.797 59 HA ASP 8 HA ASP 8 117.659 -0.449 10.139 60 1HB ASP 8 HB2 ASP 8 116.034 1.219 11.117 61 2HB ASP 8 HB1 ASP 8 117.662 1.854 10.875 62 H ARG 9 HN ARG 9 115.059 -0.493 10.825 63 HA ARG 9 HA ARG 9 113.852 -2.234 8.911 64 1HB ARG 9 HB2 ARG 9 111.789 -1.955 10.322 65 2HB ARG 9 HB1 ARG 9 113.228 -2.379 11.250 66 1HG ARG 9 HG2 ARG 9 113.510 -0.148 12.033 67 2HG ARG 9 HG1 ARG 9 112.372 0.491 10.847 68 1HD ARG 9 HD2 ARG 9 111.417 -1.567 12.805 69 2HD ARG 9 HD1 ARG 9 111.601 0.102 13.343 70 HE ARG 9 HE ARG 9 110.161 0.169 10.910 71 1HH1 ARG 9 HH11 ARG 9 109.768 -1.045 14.166 72 2HH1 ARG 9 HH12 ARG 9 108.047 -0.891 14.123 73 1HH2 ARG 9 HH21 ARG 9 107.932 0.352 10.898 74 2HH2 ARG 9 HH22 ARG 9 107.016 -0.109 12.294 75 H ASP 10 HN ASP 10 113.672 1.242 9.363 76 HA ASP 10 HA ASP 10 111.328 1.652 7.713 77 1HB ASP 10 HB2 ASP 10 113.412 3.352 8.976 78 2HB ASP 10 HB1 ASP 10 112.622 4.028 7.552 79 H GLY 11 HN GLY 11 114.832 1.700 7.108 80 1HA GLY 11 HA2 GLY 11 115.614 0.838 4.914 81 2HA GLY 11 HA1 GLY 11 114.215 1.626 4.181 82 H LEU 12 HN LEU 12 116.186 3.118 6.686 83 HA LEU 12 HA LEU 12 116.828 5.311 4.797 84 1HB LEU 12 HB2 LEU 12 115.913 5.538 7.263 85 2HB LEU 12 HB1 LEU 12 117.610 5.324 7.695 86 HG LEU 12 HG LEU 12 118.104 7.162 5.962 87 1HD1 LEU 12 HD11 LEU 12 115.102 7.342 6.228 88 2HD1 LEU 12 HD13 LEU 12 116.070 8.750 5.792 89 3HD1 LEU 12 HD12 LEU 12 116.072 7.323 4.755 90 1HD2 LEU 12 HD22 LEU 12 117.989 7.331 8.551 91 2HD2 LEU 12 HD21 LEU 12 117.909 8.831 7.626 92 3HD2 LEU 12 HD23 LEU 12 116.435 8.123 8.285 93 H ILE 13 HN ILE 13 118.911 5.735 4.119 94 HA ILE 13 HA ILE 13 121.033 3.865 5.093 95 HB ILE 13 HB ILE 13 122.120 4.293 2.873 96 1HG1 ILE 13 HG12 ILE 13 119.472 5.617 2.205 97 2HG1 ILE 13 HG11 ILE 13 120.970 6.500 2.504 98 1HG2 ILE 13 HG22 ILE 13 120.296 2.461 3.471 99 2HG2 ILE 13 HG21 ILE 13 119.332 3.361 2.301 100 3HG2 ILE 13 HG23 ILE 13 120.871 2.650 1.815 101 1HD1 ILE 13 HD12 ILE 13 120.714 4.338 0.400 102 2HD1 ILE 13 HD11 ILE 13 120.476 6.052 0.058 103 3HD1 ILE 13 HD13 ILE 13 122.047 5.472 0.613 104 H GLY 14 HN GLY 14 120.229 7.216 4.360 105 1HA GLY 14 HA2 GLY 14 122.479 8.100 6.045 106 2HA GLY 14 HA1 GLY 14 122.544 8.625 4.361 107 H LYS 15 HN LYS 15 122.418 10.684 5.981 108 HA LYS 15 HA LYS 15 119.796 11.853 5.465 109 1HB LYS 15 HB2 LYS 15 119.465 10.570 7.618 110 2HB LYS 15 HB1 LYS 15 120.682 11.615 8.354 111 1HG LYS 15 HG2 LYS 15 119.219 13.569 7.448 112 2HG LYS 15 HG1 LYS 15 117.952 12.348 7.317 113 1HD LYS 15 HD2 LYS 15 117.819 12.038 9.608 114 2HD LYS 15 HD1 LYS 15 119.492 12.525 9.876 115 1HE LYS 15 HE2 LYS 15 117.876 14.230 10.699 116 2HE LYS 15 HE1 LYS 15 118.918 14.859 9.423 117 1HZ LYS 15 HZ1 LYS 15 116.295 13.665 8.792 118 2HZ LYS 15 HZ3 LYS 15 116.418 15.290 9.263 119 3HZ LYS 15 HZ2 LYS 15 117.222 14.749 7.868 120 H ASP 16 HN ASP 16 120.360 13.837 4.748 121 HA ASP 16 HA ASP 16 121.493 15.877 4.530 122 1HB ASP 16 HB2 ASP 16 121.883 15.331 7.483 123 2HB ASP 16 HB1 ASP 16 122.384 16.833 6.706 124 H GLY 17 HN GLY 17 122.965 13.272 4.162 125 1HA GLY 17 HA2 GLY 17 125.184 13.032 3.259 126 2HA GLY 17 HA1 GLY 17 125.688 14.446 4.184 127 H HIS 18 HN HIS 18 124.779 13.737 6.735 128 HA HIS 18 HA HIS 18 126.698 11.571 7.388 129 1HB HIS 18 HB2 HIS 18 126.377 12.375 9.743 130 2HB HIS 18 HB1 HIS 18 126.971 13.628 8.653 131 HD1 HIS 18 HD1 HIS 18 123.848 12.517 10.459 132 HD2 HIS 18 HD2 HIS 18 125.190 15.776 8.232 133 HE1 HIS 18 HE1 HIS 18 122.095 14.327 10.711 134 H LEU 19 HN LEU 19 125.927 10.190 9.376 135 HA LEU 19 HA LEU 19 123.365 8.958 8.580 136 1HB LEU 19 HB2 LEU 19 125.408 8.117 10.660 137 2HB LEU 19 HB1 LEU 19 124.018 7.160 10.143 138 HG LEU 19 HG LEU 19 126.128 8.147 8.212 139 1HD1 LEU 19 HD11 LEU 19 126.005 5.643 9.890 140 2HD1 LEU 19 HD13 LEU 19 126.838 5.654 8.335 141 3HD1 LEU 19 HD12 LEU 19 127.373 6.726 9.629 142 1HD2 LEU 19 HD22 LEU 19 123.919 6.073 8.112 143 2HD2 LEU 19 HD21 LEU 19 124.058 7.537 7.138 144 3HD2 LEU 19 HD23 LEU 19 125.182 6.201 6.886 145 HA PRO 20 HA PRO 20 121.074 10.679 11.993 146 1HB PRO 20 HB2 PRO 20 119.147 8.676 12.202 147 2HB PRO 20 HB1 PRO 20 119.099 10.032 11.067 148 1HG PRO 20 HG2 PRO 20 119.485 7.235 10.505 149 2HG PRO 20 HG1 PRO 20 119.318 8.580 9.368 150 1HD PRO 20 HD2 PRO 20 121.731 7.174 10.183 151 2HD PRO 20 HD1 PRO 20 121.511 8.349 8.877 152 H TRP 21 HN TRP 21 121.828 7.205 12.197 153 HA TRP 21 HA TRP 21 121.697 7.332 15.159 154 1HB TRP 21 HB2 TRP 21 122.073 4.857 15.003 155 2HB TRP 21 HB1 TRP 21 120.635 5.395 14.135 156 HD1 TRP 21 HD1 TRP 21 124.294 4.391 13.487 157 HE1 TRP 21 HE1 TRP 21 124.489 3.547 11.060 158 HE3 TRP 21 HE3 TRP 21 119.563 5.365 11.833 159 HZ2 TRP 21 HZ2 TRP 21 122.854 3.316 8.723 160 HZ3 TRP 21 HZ3 TRP 21 118.909 4.824 9.505 161 HH2 TRP 21 HH2 TRP 21 120.547 3.802 7.949 162 H HIS 22 HN HIS 22 123.607 5.674 16.025 163 HA HIS 22 HA HIS 22 126.191 6.441 14.783 164 1HB HIS 22 HB2 HIS 22 125.552 8.157 16.551 165 2HB HIS 22 HB1 HIS 22 125.673 6.859 17.738 166 HD1 HIS 22 HD1 HIS 22 127.851 8.303 14.947 167 HD2 HIS 22 HD2 HIS 22 128.229 6.623 18.742 168 HE1 HIS 22 HE1 HIS 22 130.315 8.386 15.524 169 H LEU 23 HN LEU 23 126.397 4.199 14.285 170 HA LEU 23 HA LEU 23 126.699 2.400 16.653 171 1HB LEU 23 HB2 LEU 23 124.942 1.825 14.901 172 2HB LEU 23 HB1 LEU 23 126.277 1.541 13.785 173 HG LEU 23 HG LEU 23 127.234 -0.088 15.436 174 1HD1 LEU 23 HD11 LEU 23 124.644 0.581 16.844 175 2HD1 LEU 23 HD13 LEU 23 125.513 -0.922 17.148 176 3HD1 LEU 23 HD12 LEU 23 126.281 0.626 17.499 177 1HD2 LEU 23 HD22 LEU 23 125.375 -0.505 13.528 178 2HD2 LEU 23 HD21 LEU 23 125.996 -1.809 14.541 179 3HD2 LEU 23 HD23 LEU 23 124.457 -1.044 14.935 180 HA PRO 24 HA PRO 24 131.040 2.626 15.291 181 1HB PRO 24 HB2 PRO 24 131.974 1.463 17.671 182 2HB PRO 24 HB1 PRO 24 131.846 3.194 17.334 183 1HG PRO 24 HG2 PRO 24 130.324 1.645 19.191 184 2HG PRO 24 HG1 PRO 24 130.200 3.375 18.848 185 1HD PRO 24 HD2 PRO 24 128.456 1.198 17.975 186 2HD PRO 24 HD1 PRO 24 128.175 2.946 17.927 187 H ASP 25 HN ASP 25 129.305 -0.142 16.590 188 HA ASP 25 HA ASP 25 131.269 -2.150 15.989 189 1HB ASP 25 HB2 ASP 25 129.146 -2.364 17.439 190 2HB ASP 25 HB1 ASP 25 128.284 -2.604 15.919 191 H ASP 26 HN ASP 26 128.731 -0.601 14.087 192 HA ASP 26 HA ASP 26 128.908 -2.405 11.833 193 1HB ASP 26 HB2 ASP 26 126.997 -0.786 12.385 194 2HB ASP 26 HB1 ASP 26 128.024 0.485 11.720 195 H LEU 27 HN LEU 27 130.594 0.533 12.797 196 HA LEU 27 HA LEU 27 131.851 1.118 10.294 197 1HB LEU 27 HB2 LEU 27 132.477 1.742 13.169 198 2HB LEU 27 HB1 LEU 27 133.654 2.129 11.914 199 HG LEU 27 HG LEU 27 130.770 2.953 11.623 200 1HD1 LEU 27 HD13 LEU 27 132.948 4.226 13.267 201 2HD1 LEU 27 HD12 LEU 27 131.728 5.230 12.485 202 3HD1 LEU 27 HD11 LEU 27 131.243 4.011 13.663 203 1HD2 LEU 27 HD21 LEU 27 133.439 3.776 10.471 204 2HD2 LEU 27 HD23 LEU 27 132.000 3.225 9.614 205 3HD2 LEU 27 HD22 LEU 27 132.027 4.827 10.353 206 H HIS 28 HN HIS 28 132.677 -1.089 12.928 207 HA HIS 28 HA HIS 28 135.323 -1.747 12.031 208 1HB HIS 28 HB2 HIS 28 133.352 -3.460 13.578 209 2HB HIS 28 HB1 HIS 28 135.091 -3.731 13.468 210 HD1 HIS 28 HD1 HIS 28 136.033 -0.784 13.798 211 HD2 HIS 28 HD2 HIS 28 133.196 -2.618 16.240 212 HE1 HIS 28 HE1 HIS 28 136.021 0.507 15.977 213 H TYR 29 HN TYR 29 132.124 -3.104 11.304 214 HA TYR 29 HA TYR 29 133.124 -5.285 9.690 215 1HB TYR 29 HB2 TYR 29 130.762 -4.936 10.769 216 2HB TYR 29 HB1 TYR 29 130.412 -4.047 9.287 217 HD1 TYR 29 HD1 TYR 29 130.455 -5.174 7.095 218 HD2 TYR 29 HD2 TYR 29 131.136 -7.336 10.744 219 HE1 TYR 29 HE1 TYR 29 130.107 -7.315 5.892 220 HE2 TYR 29 HE2 TYR 29 130.789 -9.476 9.541 221 HH TYR 29 HH TYR 29 129.504 -10.187 7.390 222 H PHE 30 HN PHE 30 132.228 -1.937 9.047 223 HA PHE 30 HA PHE 30 132.211 -2.141 6.172 224 1HB PHE 30 HB2 PHE 30 131.219 -0.244 7.501 225 2HB PHE 30 HB1 PHE 30 132.860 0.302 7.846 226 HD1 PHE 30 HD2 PHE 30 130.821 -0.804 4.889 227 HD2 PHE 30 HD1 PHE 30 133.756 1.922 6.439 228 HE1 PHE 30 HE2 PHE 30 130.897 0.358 2.700 229 HE2 PHE 30 HE1 PHE 30 133.833 3.084 4.249 230 HZ PHE 30 HZ PHE 30 132.403 2.302 2.381 231 H ARG 31 HN ARG 31 134.728 -1.499 8.569 232 HA ARG 31 HA ARG 31 136.764 -0.848 6.593 233 1HB ARG 31 HB2 ARG 31 136.670 -0.231 9.131 234 2HB ARG 31 HB1 ARG 31 137.364 -1.835 9.373 235 1HG ARG 31 HG2 ARG 31 139.264 -1.291 7.970 236 2HG ARG 31 HG1 ARG 31 138.542 0.255 7.521 237 1HD ARG 31 HD2 ARG 31 140.177 0.691 9.245 238 2HD ARG 31 HD1 ARG 31 138.579 0.888 9.963 239 HE ARG 31 HE ARG 31 139.352 -1.803 10.371 240 1HH1 ARG 31 HH11 ARG 31 140.364 1.405 11.330 241 2HH1 ARG 31 HH12 ARG 31 141.017 0.858 12.834 242 1HH2 ARG 31 HH21 ARG 31 140.211 -2.467 12.328 243 2HH2 ARG 31 HH22 ARG 31 140.933 -1.309 13.395 244 H ALA 32 HN ALA 32 135.619 -3.764 8.184 245 HA ALA 32 HA ALA 32 137.881 -5.419 7.443 246 1HB ALA 32 HB1 ALA 32 135.033 -6.171 8.172 247 2HB ALA 32 HB3 ALA 32 136.379 -7.304 8.042 248 3HB ALA 32 HB2 ALA 32 136.394 -6.057 9.288 249 H GLN 33 HN GLN 33 134.862 -4.492 5.896 250 HA GLN 33 HA GLN 33 135.395 -6.373 3.653 251 1HB GLN 33 HB2 GLN 33 133.011 -4.578 4.207 252 2HB GLN 33 HB1 GLN 33 133.137 -5.728 2.876 253 1HG GLN 33 HG2 GLN 33 133.565 -6.668 5.698 254 2HG GLN 33 HG1 GLN 33 131.925 -6.455 5.087 255 1HE2 GLN 33 HE22 GLN 33 132.128 -9.703 3.728 256 2HE2 GLN 33 HE21 GLN 33 131.296 -8.630 4.746 257 H THR 34 HN THR 34 137.167 -4.144 4.025 258 HA THR 34 HA THR 34 136.798 -2.835 1.401 259 HB THR 34 HB THR 34 137.305 -0.581 2.453 260 HG1 THR 34 HG1 THR 34 136.487 -1.946 4.798 261 1HG2 THR 34 HG21 THR 34 135.043 -1.210 1.691 262 2HG2 THR 34 HG23 THR 34 134.719 -1.938 3.263 263 3HG2 THR 34 HG22 THR 34 134.970 -0.197 3.133 264 H VAL 35 HN VAL 35 138.819 -3.088 4.334 265 HA VAL 35 HA VAL 35 141.251 -2.176 3.179 266 HB VAL 35 HB VAL 35 142.354 -3.456 5.015 267 1HG1 VAL 35 HG13 VAL 35 139.971 -1.695 5.486 268 2HG1 VAL 35 HG12 VAL 35 140.801 -2.403 6.873 269 3HG1 VAL 35 HG11 VAL 35 141.681 -1.356 5.759 270 1HG2 VAL 35 HG22 VAL 35 139.678 -4.753 5.028 271 2HG2 VAL 35 HG21 VAL 35 141.253 -5.421 5.453 272 3HG2 VAL 35 HG23 VAL 35 140.380 -4.416 6.610 273 H GLY 36 HN GLY 36 142.324 -3.038 1.489 274 1HA GLY 36 HA2 GLY 36 143.569 -4.787 0.407 275 2HA GLY 36 HA1 GLY 36 142.628 -5.979 1.302 276 H LYS 37 HN LYS 37 140.694 -3.504 -0.087 277 HA LYS 37 HA LYS 37 140.239 -5.061 -2.573 278 1HB LYS 37 HB2 LYS 37 138.076 -4.316 -0.577 279 2HB LYS 37 HB1 LYS 37 137.781 -4.987 -2.181 280 1HG LYS 37 HG2 LYS 37 137.828 -6.985 -1.082 281 2HG LYS 37 HG1 LYS 37 139.576 -6.794 -1.209 282 1HD LYS 37 HD2 LYS 37 139.715 -5.864 1.005 283 2HD LYS 37 HD1 LYS 37 137.961 -5.737 1.123 284 1HE LYS 37 HE2 LYS 37 139.244 -8.413 0.635 285 2HE LYS 37 HE1 LYS 37 139.161 -7.759 2.270 286 1HZ LYS 37 HZ2 LYS 37 136.746 -7.451 1.915 287 2HZ LYS 37 HZ1 LYS 37 136.888 -8.272 0.435 288 3HZ LYS 37 HZ3 LYS 37 137.232 -9.080 1.886 289 H ILE 38 HN ILE 38 138.175 -3.695 -3.655 290 HA ILE 38 HA ILE 38 139.211 -0.895 -3.768 291 HB ILE 38 HB ILE 38 137.540 -2.388 -5.815 292 1HG1 ILE 38 HG12 ILE 38 140.463 -1.681 -6.066 293 2HG1 ILE 38 HG11 ILE 38 139.961 -3.203 -5.331 294 1HG2 ILE 38 HG21 ILE 38 138.979 0.279 -5.829 295 2HG2 ILE 38 HG23 ILE 38 138.367 -0.503 -7.287 296 3HG2 ILE 38 HG22 ILE 38 137.248 -0.002 -6.019 297 1HD1 ILE 38 HD13 ILE 38 138.688 -2.485 -7.925 298 2HD1 ILE 38 HD12 ILE 38 140.386 -2.956 -7.977 299 3HD1 ILE 38 HD11 ILE 38 139.184 -4.064 -7.313 300 H MET 39 HN MET 39 137.946 0.560 -2.739 301 HA MET 39 HA MET 39 135.112 -0.097 -2.188 302 1HB MET 39 HB2 MET 39 136.944 1.000 -0.572 303 2HB MET 39 HB1 MET 39 136.333 2.482 -1.310 304 1HG MET 39 HG2 MET 39 134.019 1.802 -0.709 305 2HG MET 39 HG1 MET 39 134.668 0.369 0.091 306 1HE MET 39 HE3 MET 39 134.525 3.915 -0.395 307 2HE MET 39 HE2 MET 39 134.465 4.655 1.202 308 3HE MET 39 HE1 MET 39 136.019 4.416 0.409 309 H VAL 40 HN VAL 40 133.691 0.475 -3.757 310 HA VAL 40 HA VAL 40 134.279 2.820 -5.479 311 HB VAL 40 HB VAL 40 131.997 0.830 -5.662 312 1HG1 VAL 40 HG13 VAL 40 133.111 2.958 -7.501 313 2HG1 VAL 40 HG12 VAL 40 132.071 1.658 -8.082 314 3HG1 VAL 40 HG11 VAL 40 131.462 2.807 -6.891 315 1HG2 VAL 40 HG22 VAL 40 134.806 0.820 -6.753 316 2HG2 VAL 40 HG21 VAL 40 133.910 -0.498 -5.997 317 3HG2 VAL 40 HG23 VAL 40 133.506 0.018 -7.635 318 H VAL 41 HN VAL 41 133.237 4.739 -5.194 319 HA VAL 41 HA VAL 41 130.639 4.804 -3.772 320 HB VAL 41 HB VAL 41 131.474 6.633 -2.273 321 1HG1 VAL 41 HG12 VAL 41 131.411 4.090 -1.725 322 2HG1 VAL 41 HG11 VAL 41 133.167 4.172 -1.867 323 3HG1 VAL 41 HG13 VAL 41 132.334 5.150 -0.658 324 1HG2 VAL 41 HG23 VAL 41 133.497 7.019 -3.875 325 2HG2 VAL 41 HG22 VAL 41 133.764 7.172 -2.138 326 3HG2 VAL 41 HG21 VAL 41 134.254 5.701 -2.979 327 H GLY 42 HN GLY 42 129.583 6.939 -4.008 328 1HA GLY 42 HA2 GLY 42 130.265 8.151 -6.617 329 2HA GLY 42 HA1 GLY 42 128.774 8.417 -5.714 330 H ARG 43 HN ARG 43 129.306 10.742 -6.245 331 HA ARG 43 HA ARG 43 131.558 11.954 -4.809 332 1HB ARG 43 HB2 ARG 43 130.440 12.739 -7.043 333 2HB ARG 43 HB1 ARG 43 129.262 13.508 -5.977 334 1HG ARG 43 HG2 ARG 43 130.815 14.985 -5.095 335 2HG ARG 43 HG1 ARG 43 132.173 13.903 -5.401 336 1HD ARG 43 HD2 ARG 43 132.426 14.607 -7.570 337 2HD ARG 43 HD1 ARG 43 130.698 14.891 -7.789 338 HE ARG 43 HE ARG 43 132.650 16.843 -6.867 339 1HH1 ARG 43 HH21 ARG 43 129.294 15.870 -6.726 340 2HH1 ARG 43 HH22 ARG 43 128.742 17.466 -6.357 341 1HH2 ARG 43 HH11 ARG 43 131.892 18.893 -6.389 342 2HH2 ARG 43 HH12 ARG 43 130.195 19.161 -6.170 343 H ARG 44 HN ARG 44 128.054 11.657 -4.406 344 HA ARG 44 HA ARG 44 127.849 13.465 -2.170 345 1HB ARG 44 HB2 ARG 44 126.031 12.206 -3.749 346 2HB ARG 44 HB1 ARG 44 125.954 11.185 -2.313 347 1HG ARG 44 HG2 ARG 44 124.378 12.845 -1.819 348 2HG ARG 44 HG1 ARG 44 125.827 13.460 -1.022 349 1HD ARG 44 HD2 ARG 44 126.183 15.102 -2.632 350 2HD ARG 44 HD1 ARG 44 125.310 14.212 -3.879 351 HE ARG 44 HE ARG 44 123.512 14.959 -1.764 352 1HH1 ARG 44 HH11 ARG 44 125.280 16.276 -4.480 353 2HH1 ARG 44 HH12 ARG 44 124.144 17.555 -4.727 354 1HH2 ARG 44 HH21 ARG 44 122.068 16.631 -2.121 355 2HH2 ARG 44 HH22 ARG 44 122.345 17.756 -3.408 356 H THR 45 HN THR 45 128.680 10.066 -2.494 357 HA THR 45 HA THR 45 128.526 9.585 0.403 358 HB THR 45 HB THR 45 129.902 7.747 -1.538 359 HG1 THR 45 HG1 THR 45 128.101 8.010 -2.661 360 1HG2 THR 45 HG21 THR 45 128.337 7.521 1.022 361 2HG2 THR 45 HG23 THR 45 128.527 6.124 -0.037 362 3HG2 THR 45 HG22 THR 45 129.949 6.907 0.653 363 H TYR 46 HN TYR 46 130.973 10.295 -2.031 364 HA TYR 46 HA TYR 46 133.289 9.685 -0.466 365 1HB TYR 46 HB2 TYR 46 133.201 10.200 -2.962 366 2HB TYR 46 HB1 TYR 46 133.085 11.903 -2.517 367 HD1 TYR 46 HD2 TYR 46 135.193 8.850 -2.099 368 HD2 TYR 46 HD1 TYR 46 135.010 13.138 -1.912 369 HE1 TYR 46 HE2 TYR 46 137.653 8.942 -1.799 370 HE2 TYR 46 HE1 TYR 46 137.470 13.230 -1.612 371 HH TYR 46 HH TYR 46 139.449 11.716 -2.201 372 H GLU 47 HN GLU 47 131.321 12.625 -0.756 373 HA GLU 47 HA GLU 47 133.024 14.211 0.979 374 1HB GLU 47 HB2 GLU 47 130.198 14.549 -0.042 375 2HB GLU 47 HB1 GLU 47 130.950 15.712 1.050 376 1HG GLU 47 HG2 GLU 47 132.917 15.665 -0.684 377 2HG GLU 47 HG1 GLU 47 131.691 15.027 -1.781 378 H SER 48 HN SER 48 130.439 11.923 1.493 379 HA SER 48 HA SER 48 129.560 12.782 4.069 380 1HB SER 48 HB2 SER 48 128.334 11.096 2.783 381 2HB SER 48 HB1 SER 48 129.700 9.990 2.890 382 HG SER 48 HG SER 48 128.163 9.530 4.492 383 H PHE 49 HN PHE 49 132.403 11.004 3.027 384 HA PHE 49 HA PHE 49 133.133 9.922 5.585 385 1HB PHE 49 HB2 PHE 49 134.923 10.715 3.266 386 2HB PHE 49 HB1 PHE 49 135.375 9.656 4.601 387 HD1 PHE 49 HD1 PHE 49 133.266 7.838 5.032 388 HD2 PHE 49 HD2 PHE 49 134.550 9.532 1.298 389 HE1 PHE 49 HE1 PHE 49 132.304 5.899 3.821 390 HE2 PHE 49 HE2 PHE 49 133.587 7.593 0.088 391 HZ PHE 49 HZ PHE 49 132.464 5.776 1.349 392 HA PRO 50 HA PRO 50 134.708 13.565 7.614 393 1HB PRO 50 HB2 PRO 50 136.460 12.274 9.362 394 2HB PRO 50 HB1 PRO 50 134.729 12.520 9.634 395 1HG PRO 50 HG2 PRO 50 136.130 10.060 9.126 396 2HG PRO 50 HG1 PRO 50 134.419 10.300 9.506 397 1HD PRO 50 HD2 PRO 50 135.651 9.736 6.932 398 2HD PRO 50 HD1 PRO 50 133.936 9.743 7.371 399 H LYS 51 HN LYS 51 137.351 11.169 7.235 400 HA LYS 51 HA LYS 51 139.119 13.404 6.338 401 1HB LYS 51 HB2 LYS 51 139.722 11.889 8.354 402 2HB LYS 51 HB1 LYS 51 140.054 10.650 7.144 403 1HG LYS 51 HG2 LYS 51 141.627 12.205 6.013 404 2HG LYS 51 HG1 LYS 51 141.331 13.397 7.278 405 1HD LYS 51 HD2 LYS 51 143.284 12.324 8.023 406 2HD LYS 51 HD1 LYS 51 142.013 11.488 8.914 407 1HE LYS 51 HE2 LYS 51 141.983 9.728 7.145 408 2HE LYS 51 HE1 LYS 51 143.338 10.538 6.358 409 1HZ LYS 51 HZ2 LYS 51 143.343 9.486 9.136 410 2HZ LYS 51 HZ1 LYS 51 144.074 8.735 7.800 411 3HZ LYS 51 HZ3 LYS 51 144.651 10.232 8.349 412 H ARG 52 HN ARG 52 138.816 13.485 4.125 413 HA ARG 52 HA ARG 52 138.853 10.942 2.595 414 1HB ARG 52 HB2 ARG 52 138.354 13.769 1.615 415 2HB ARG 52 HB1 ARG 52 138.099 12.284 0.699 416 1HG ARG 52 HG2 ARG 52 136.204 11.703 1.899 417 2HG ARG 52 HG1 ARG 52 136.723 12.572 3.343 418 1HD ARG 52 HD2 ARG 52 136.488 14.625 1.545 419 2HD ARG 52 HD1 ARG 52 135.201 13.544 1.007 420 HE ARG 52 HE ARG 52 134.823 13.649 3.734 421 1HH1 ARG 52 HH11 ARG 52 135.174 16.084 1.245 422 2HH1 ARG 52 HH12 ARG 52 134.194 17.230 2.089 423 1HH2 ARG 52 HH21 ARG 52 133.561 15.165 4.789 424 2HH2 ARG 52 HH22 ARG 52 133.290 16.718 4.073 425 HA PRO 53 HA PRO 53 139.390 10.025 0.817 426 1HB PRO 53 HB2 PRO 53 141.456 8.344 -0.024 427 2HB PRO 53 HB1 PRO 53 140.567 9.476 -1.053 428 1HG PRO 53 HG2 PRO 53 143.312 9.600 -0.248 429 2HG PRO 53 HG1 PRO 53 142.425 10.714 -1.299 430 1HD PRO 53 HD2 PRO 53 143.167 11.029 1.519 431 2HD PRO 53 HD1 PRO 53 142.623 12.252 0.359 432 H LEU 54 HN LEU 54 139.809 7.438 1.226 433 HA LEU 54 HA LEU 54 140.426 7.259 4.124 434 1HB LEU 54 HB2 LEU 54 138.923 5.447 2.223 435 2HB LEU 54 HB1 LEU 54 139.296 4.995 3.886 436 HG LEU 54 HG LEU 54 137.796 7.510 3.107 437 1HD1 LEU 54 HD11 LEU 54 136.857 4.759 3.924 438 2HD1 LEU 54 HD13 LEU 54 135.859 6.189 4.188 439 3HD1 LEU 54 HD12 LEU 54 136.330 5.733 2.551 440 1HD2 LEU 54 HD23 LEU 54 138.497 6.160 5.720 441 2HD2 LEU 54 HD22 LEU 54 138.821 7.824 5.232 442 3HD2 LEU 54 HD21 LEU 54 137.172 7.317 5.600 443 HA PRO 55 HA PRO 55 144.241 5.149 2.922 444 1HB PRO 55 HB2 PRO 55 145.116 4.788 5.547 445 2HB PRO 55 HB1 PRO 55 145.449 6.199 4.535 446 1HG PRO 55 HG2 PRO 55 143.785 6.027 6.873 447 2HG PRO 55 HG1 PRO 55 144.206 7.456 5.918 448 1HD PRO 55 HD2 PRO 55 141.724 5.940 5.929 449 2HD PRO 55 HD1 PRO 55 142.078 7.499 5.168 450 H GLU 56 HN GLU 56 145.349 3.041 3.653 451 HA GLU 56 HA GLU 56 145.226 0.727 3.990 452 1HB GLU 56 HB2 GLU 56 143.443 1.896 6.048 453 2HB GLU 56 HB1 GLU 56 143.155 0.194 5.684 454 1HG GLU 56 HG2 GLU 56 145.300 -0.450 6.355 455 2HG GLU 56 HG1 GLU 56 145.964 1.169 6.128 456 H ARG 57 HN ARG 57 143.578 2.094 1.882 457 HA ARG 57 HA ARG 57 142.213 -0.196 0.872 458 1HB ARG 57 HB2 ARG 57 139.861 0.616 1.064 459 2HB ARG 57 HB1 ARG 57 140.571 0.226 2.631 460 1HG ARG 57 HG2 ARG 57 141.253 2.763 2.645 461 2HG ARG 57 HG1 ARG 57 139.968 2.921 1.447 462 1HD ARG 57 HD2 ARG 57 138.674 3.184 3.322 463 2HD ARG 57 HD1 ARG 57 138.670 1.421 3.274 464 HE ARG 57 HE ARG 57 140.953 2.316 4.750 465 1HH1 ARG 57 HH21 ARG 57 137.470 2.098 4.983 466 2HH1 ARG 57 HH22 ARG 57 137.491 2.001 6.708 467 1HH2 ARG 57 HH11 ARG 57 140.933 2.190 6.983 468 2HH2 ARG 57 HH12 ARG 57 139.429 2.055 7.831 469 H THR 58 HN THR 58 141.151 0.280 -1.199 470 HA THR 58 HA THR 58 142.329 2.680 -2.470 471 HB THR 58 HB THR 58 140.736 0.479 -3.805 472 HG1 THR 58 HG1 THR 58 142.427 -0.511 -2.772 473 1HG2 THR 58 HG21 THR 58 142.682 2.599 -4.714 474 2HG2 THR 58 HG23 THR 58 142.322 1.184 -5.703 475 3HG2 THR 58 HG22 THR 58 141.036 2.313 -5.277 476 H ASN 59 HN ASN 59 141.097 4.369 -3.264 477 HA ASN 59 HA ASN 59 138.160 4.232 -2.717 478 1HB ASN 59 HB2 ASN 59 140.094 6.562 -2.713 479 2HB ASN 59 HB1 ASN 59 138.342 6.768 -2.675 480 1HD2 ASN 59 HD22 ASN 59 140.279 5.361 0.650 481 2HD2 ASN 59 HD21 ASN 59 141.091 5.416 -0.839 482 H VAL 60 HN VAL 60 136.771 4.607 -4.401 483 HA VAL 60 HA VAL 60 137.939 5.580 -6.976 484 HB VAL 60 HB VAL 60 135.858 3.392 -6.695 485 1HG1 VAL 60 HG12 VAL 60 137.250 4.739 -9.000 486 2HG1 VAL 60 HG11 VAL 60 136.660 3.085 -9.161 487 3HG1 VAL 60 HG13 VAL 60 135.533 4.391 -8.796 488 1HG2 VAL 60 HG23 VAL 60 138.820 3.234 -7.340 489 2HG2 VAL 60 HG22 VAL 60 138.041 2.616 -5.884 490 3HG2 VAL 60 HG21 VAL 60 137.689 1.886 -7.449 491 H VAL 61 HN VAL 61 136.885 7.379 -7.642 492 HA VAL 61 HA VAL 61 134.153 7.901 -6.564 493 HB VAL 61 HB VAL 61 136.075 9.839 -7.886 494 1HG1 VAL 61 HG11 VAL 61 133.437 10.106 -6.440 495 2HG1 VAL 61 HG13 VAL 61 134.551 11.464 -6.588 496 3HG1 VAL 61 HG12 VAL 61 133.876 10.716 -8.036 497 1HG2 VAL 61 HG21 VAL 61 136.917 8.839 -5.728 498 2HG2 VAL 61 HG23 VAL 61 136.651 10.582 -5.651 499 3HG2 VAL 61 HG22 VAL 61 135.478 9.477 -4.934 500 H LEU 62 HN LEU 62 132.492 7.578 -7.943 501 HA LEU 62 HA LEU 62 133.046 7.694 -10.881 502 1HB LEU 62 HB2 LEU 62 132.252 5.492 -9.896 503 2HB LEU 62 HB1 LEU 62 130.730 6.299 -9.515 504 HG LEU 62 HG LEU 62 130.724 6.997 -12.016 505 1HD1 LEU 62 HD12 LEU 62 133.138 6.189 -12.282 506 2HD1 LEU 62 HD11 LEU 62 132.489 4.549 -12.229 507 3HD1 LEU 62 HD13 LEU 62 132.002 5.650 -13.519 508 1HD2 LEU 62 HD21 LEU 62 129.175 5.348 -10.994 509 2HD2 LEU 62 HD23 LEU 62 129.629 4.880 -12.633 510 3HD2 LEU 62 HD22 LEU 62 130.374 4.080 -11.248 511 H THR 63 HN THR 63 132.700 9.999 -10.941 512 HA THR 63 HA THR 63 129.865 10.822 -10.460 513 HB THR 63 HB THR 63 131.397 12.073 -9.049 514 HG1 THR 63 HG1 THR 63 130.050 13.583 -9.600 515 1HG2 THR 63 HG21 THR 63 132.964 12.181 -11.574 516 2HG2 THR 63 HG23 THR 63 133.032 13.605 -10.536 517 3HG2 THR 63 HG22 THR 63 133.523 12.032 -9.909 518 H HIS 64 HN HIS 64 132.308 10.388 -12.865 519 HA HIS 64 HA HIS 64 132.314 10.795 -15.168 520 1HB HIS 64 HB2 HIS 64 129.405 10.781 -14.456 521 2HB HIS 64 HB1 HIS 64 129.870 11.339 -16.063 522 HD1 HIS 64 HD1 HIS 64 130.439 8.338 -13.780 523 HD2 HIS 64 HD2 HIS 64 130.386 9.278 -17.841 524 HE1 HIS 64 HE1 HIS 64 130.724 6.152 -15.025 525 H GLN 65 HN GLN 65 132.912 12.975 -13.409 526 HA GLN 65 HA GLN 65 132.003 15.255 -15.116 527 1HB GLN 65 HB2 GLN 65 131.000 15.090 -12.709 528 2HB GLN 65 HB1 GLN 65 132.606 15.599 -12.185 529 1HG GLN 65 HG2 GLN 65 132.392 17.701 -13.098 530 2HG GLN 65 HG1 GLN 65 131.349 17.141 -14.406 531 1HE2 GLN 65 HE22 GLN 65 129.678 18.644 -11.066 532 2HE2 GLN 65 HE21 GLN 65 131.349 18.711 -11.360 533 H GLU 66 HN GLU 66 133.850 15.665 -16.267 534 HA GLU 66 HA GLU 66 136.509 15.284 -15.180 535 1HB GLU 66 HB2 GLU 66 135.568 16.769 -17.655 536 2HB GLU 66 HB1 GLU 66 137.250 16.385 -17.287 537 1HG GLU 66 HG2 GLU 66 136.397 13.931 -17.072 538 2HG GLU 66 HG1 GLU 66 134.998 14.509 -17.979 539 H ASP 67 HN ASP 67 135.764 16.690 -13.210 540 HA ASP 67 HA ASP 67 137.049 19.311 -13.511 541 1HB ASP 67 HB2 ASP 67 134.103 19.010 -12.916 542 2HB ASP 67 HB1 ASP 67 135.011 20.422 -12.378 543 H TYR 68 HN TYR 68 135.080 17.241 -11.364 544 HA TYR 68 HA TYR 68 136.175 18.295 -8.919 545 1HB TYR 68 HB2 TYR 68 134.033 16.983 -9.103 546 2HB TYR 68 HB1 TYR 68 135.003 15.536 -9.378 547 HD1 TYR 68 HD2 TYR 68 135.204 18.469 -7.036 548 HD2 TYR 68 HD1 TYR 68 135.183 14.198 -7.486 549 HE1 TYR 68 HE2 TYR 68 135.518 18.210 -4.589 550 HE2 TYR 68 HE1 TYR 68 135.496 13.939 -5.039 551 HH TYR 68 HH TYR 68 134.869 16.118 -2.866 552 H GLN 69 HN GLN 69 138.303 18.137 -8.422 553 HA GLN 69 HA GLN 69 139.807 15.718 -9.305 554 1HB GLN 69 HB2 GLN 69 140.719 18.460 -8.389 555 2HB GLN 69 HB1 GLN 69 141.824 17.119 -8.690 556 1HG GLN 69 HG2 GLN 69 140.732 16.952 -11.009 557 2HG GLN 69 HG1 GLN 69 140.031 18.533 -10.667 558 1HE2 GLN 69 HE22 GLN 69 144.029 18.221 -11.459 559 2HE2 GLN 69 HE21 GLN 69 143.097 16.824 -11.217 560 H ALA 70 HN ALA 70 141.014 14.510 -7.775 561 HA ALA 70 HA ALA 70 140.694 15.220 -4.908 562 1HB ALA 70 HB2 ALA 70 138.802 13.702 -5.554 563 2HB ALA 70 HB1 ALA 70 139.992 12.483 -6.010 564 3HB ALA 70 HB3 ALA 70 139.867 13.008 -4.331 565 H GLN 71 HN GLN 71 142.778 15.267 -4.229 566 HA GLN 71 HA GLN 71 144.834 13.606 -5.499 567 1HB GLN 71 HB2 GLN 71 144.936 15.525 -3.152 568 2HB GLN 71 HB1 GLN 71 146.346 14.717 -3.837 569 1HG GLN 71 HG2 GLN 71 146.396 16.714 -5.018 570 2HG GLN 71 HG1 GLN 71 145.417 15.726 -6.103 571 1HE2 GLN 71 HE22 GLN 71 142.940 18.235 -5.955 572 2HE2 GLN 71 HE21 GLN 71 143.976 17.307 -6.929 573 H GLY 72 HN GLY 72 145.498 11.643 -4.763 574 1HA GLY 72 HA2 GLY 72 146.118 10.112 -2.972 575 2HA GLY 72 HA1 GLY 72 144.929 10.900 -1.935 576 H ALA 73 HN ALA 73 142.798 10.928 -3.890 577 HA ALA 73 HA ALA 73 142.066 8.043 -3.777 578 1HB ALA 73 HB1 ALA 73 140.659 10.195 -2.915 579 2HB ALA 73 HB3 ALA 73 140.043 10.071 -4.564 580 3HB ALA 73 HB2 ALA 73 139.896 8.702 -3.462 581 H VAL 74 HN VAL 74 141.152 7.025 -5.652 582 HA VAL 74 HA VAL 74 142.209 8.114 -8.189 583 HB VAL 74 HB VAL 74 140.792 5.483 -7.672 584 1HG1 VAL 74 HG11 VAL 74 142.443 6.586 -9.955 585 2HG1 VAL 74 HG13 VAL 74 142.117 4.864 -9.762 586 3HG1 VAL 74 HG12 VAL 74 140.784 5.992 -10.011 587 1HG2 VAL 74 HG21 VAL 74 143.695 6.302 -7.494 588 2HG2 VAL 74 HG23 VAL 74 142.734 5.419 -6.309 589 3HG2 VAL 74 HG22 VAL 74 143.227 4.631 -7.807 590 H VAL 75 HN VAL 75 140.920 9.310 -9.489 591 HA VAL 75 HA VAL 75 137.969 9.145 -9.120 592 HB VAL 75 HB VAL 75 139.587 11.198 -10.656 593 1HG1 VAL 75 HG11 VAL 75 136.713 11.106 -9.691 594 2HG1 VAL 75 HG13 VAL 75 137.484 12.534 -10.382 595 3HG1 VAL 75 HG12 VAL 75 137.262 11.088 -11.367 596 1HG2 VAL 75 HG22 VAL 75 140.106 11.111 -8.194 597 2HG2 VAL 75 HG21 VAL 75 139.361 12.626 -8.704 598 3HG2 VAL 75 HG23 VAL 75 138.397 11.407 -7.873 599 H VAL 76 HN VAL 76 136.844 7.976 -10.585 600 HA VAL 76 HA VAL 76 138.072 7.526 -13.275 601 HB VAL 76 HB VAL 76 136.618 5.482 -13.349 602 1HG1 VAL 76 HG11 VAL 76 138.495 5.693 -10.973 603 2HG1 VAL 76 HG13 VAL 76 137.974 4.189 -11.733 604 3HG1 VAL 76 HG12 VAL 76 138.971 5.333 -12.632 605 1HG2 VAL 76 HG21 VAL 76 135.037 6.519 -11.569 606 2HG2 VAL 76 HG23 VAL 76 135.370 4.790 -11.465 607 3HG2 VAL 76 HG22 VAL 76 136.202 5.915 -10.391 608 H HIS 77 HN HIS 77 136.383 7.213 -15.038 609 HA HIS 77 HA HIS 77 133.855 8.688 -14.544 610 1HB HIS 77 HB2 HIS 77 135.763 9.417 -16.787 611 2HB HIS 77 HB1 HIS 77 134.216 10.185 -16.431 612 HD1 HIS 77 HD1 HIS 77 134.193 12.002 -14.671 613 HD2 HIS 77 HD2 HIS 77 137.790 9.896 -14.723 614 HE1 HIS 77 HE1 HIS 77 135.768 13.235 -13.116 615 H ASP 78 HN ASP 78 134.599 5.878 -15.150 616 HA ASP 78 HA ASP 78 132.718 5.476 -17.372 617 1HB ASP 78 HB2 ASP 78 135.086 5.775 -18.356 618 2HB ASP 78 HB1 ASP 78 135.453 4.217 -17.615 619 H VAL 79 HN VAL 79 131.507 3.707 -16.889 620 HA VAL 79 HA VAL 79 131.955 2.168 -14.516 621 HB VAL 79 HB VAL 79 130.234 1.420 -16.897 622 1HG1 VAL 79 HG12 VAL 79 130.716 -0.287 -15.045 623 2HG1 VAL 79 HG11 VAL 79 129.821 0.786 -13.969 624 3HG1 VAL 79 HG13 VAL 79 129.016 0.062 -15.361 625 1HG2 VAL 79 HG23 VAL 79 129.758 3.268 -14.549 626 2HG2 VAL 79 HG22 VAL 79 129.570 3.625 -16.267 627 3HG2 VAL 79 HG21 VAL 79 128.431 2.546 -15.461 628 H ALA 80 HN ALA 80 132.639 1.534 -17.940 629 HA ALA 80 HA ALA 80 133.453 -1.192 -17.641 630 1HB ALA 80 HB1 ALA 80 132.985 -0.116 -19.835 631 2HB ALA 80 HB3 ALA 80 134.445 0.856 -19.647 632 3HB ALA 80 HB2 ALA 80 134.567 -0.896 -19.805 633 H ALA 81 HN ALA 81 135.177 1.871 -17.255 634 HA ALA 81 HA ALA 81 137.815 0.761 -17.030 635 1HB ALA 81 HB3 ALA 81 136.614 3.312 -15.914 636 2HB ALA 81 HB2 ALA 81 138.334 2.925 -15.850 637 3HB ALA 81 HB1 ALA 81 137.535 3.141 -17.408 638 H VAL 82 HN VAL 82 135.283 1.466 -14.637 639 HA VAL 82 HA VAL 82 136.820 0.805 -12.313 640 HB VAL 82 HB VAL 82 133.829 0.481 -12.698 641 1HG1 VAL 82 HG11 VAL 82 135.616 0.836 -10.278 642 2HG1 VAL 82 HG13 VAL 82 133.864 1.029 -10.224 643 3HG1 VAL 82 HG12 VAL 82 134.566 -0.533 -10.643 644 1HG2 VAL 82 HG21 VAL 82 135.587 2.875 -12.307 645 2HG2 VAL 82 HG23 VAL 82 134.109 2.716 -13.256 646 3HG2 VAL 82 HG22 VAL 82 134.019 2.848 -11.500 647 H PHE 83 HN PHE 83 135.085 -1.153 -14.657 648 HA PHE 83 HA PHE 83 135.201 -3.589 -13.043 649 1HB PHE 83 HB2 PHE 83 134.315 -2.873 -15.813 650 2HB PHE 83 HB1 PHE 83 134.675 -4.563 -15.460 651 HD1 PHE 83 HD1 PHE 83 133.745 -5.261 -12.963 652 HD2 PHE 83 HD2 PHE 83 132.079 -2.284 -15.573 653 HE1 PHE 83 HE1 PHE 83 131.551 -5.497 -11.832 654 HE2 PHE 83 HE2 PHE 83 129.885 -2.520 -14.442 655 HZ PHE 83 HZ PHE 83 129.621 -4.127 -12.572 656 H ALA 84 HN ALA 84 136.946 -2.309 -15.882 657 HA ALA 84 HA ALA 84 138.690 -4.539 -16.242 658 1HB ALA 84 HB2 ALA 84 139.183 -1.604 -16.833 659 2HB ALA 84 HB1 ALA 84 140.130 -2.946 -17.475 660 3HB ALA 84 HB3 ALA 84 138.436 -2.765 -17.931 661 H TYR 85 HN TYR 85 138.761 -1.852 -13.988 662 HA TYR 85 HA TYR 85 141.504 -2.006 -13.208 663 1HB TYR 85 HB2 TYR 85 140.114 -0.114 -12.547 664 2HB TYR 85 HB1 TYR 85 139.038 -1.170 -11.645 665 HD1 TYR 85 HD1 TYR 85 142.633 -1.910 -11.467 666 HD2 TYR 85 HD2 TYR 85 139.418 0.298 -9.660 667 HE1 TYR 85 HE1 TYR 85 144.006 -1.570 -9.433 668 HE2 TYR 85 HE2 TYR 85 140.792 0.630 -7.626 669 HH TYR 85 HH TYR 85 143.729 0.565 -7.362 670 H ALA 86 HN ALA 86 138.714 -3.232 -11.320 671 HA ALA 86 HA ALA 86 140.281 -4.920 -9.650 672 1HB ALA 86 HB1 ALA 86 137.359 -5.042 -10.440 673 2HB ALA 86 HB3 ALA 86 138.073 -6.102 -9.224 674 3HB ALA 86 HB2 ALA 86 138.043 -4.358 -8.966 675 H LYS 87 HN LYS 87 138.927 -5.425 -12.847 676 HA LYS 87 HA LYS 87 139.109 -8.274 -12.952 677 1HB LYS 87 HB2 LYS 87 138.002 -6.664 -14.633 678 2HB LYS 87 HB1 LYS 87 139.617 -6.460 -15.312 679 1HG LYS 87 HG2 LYS 87 139.728 -9.014 -15.441 680 2HG LYS 87 HG1 LYS 87 137.994 -9.002 -15.115 681 1HD LYS 87 HD2 LYS 87 137.902 -8.911 -17.410 682 2HD LYS 87 HD1 LYS 87 138.047 -7.182 -17.087 683 1HE LYS 87 HE2 LYS 87 140.275 -7.109 -17.726 684 2HE LYS 87 HE1 LYS 87 140.552 -8.805 -17.331 685 1HZ LYS 87 HZ3 LYS 87 138.907 -7.831 -19.603 686 2HZ LYS 87 HZ2 LYS 87 140.503 -8.401 -19.729 687 3HZ LYS 87 HZ1 LYS 87 139.259 -9.451 -19.241 688 H GLN 88 HN GLN 88 141.525 -5.750 -13.242 689 HA GLN 88 HA GLN 88 143.568 -7.522 -14.357 690 1HB GLN 88 HB2 GLN 88 143.483 -4.686 -13.377 691 2HB GLN 88 HB1 GLN 88 145.045 -5.484 -13.571 692 1HG GLN 88 HG2 GLN 88 144.522 -5.999 -15.909 693 2HG GLN 88 HG1 GLN 88 142.924 -5.273 -15.729 694 1HE2 GLN 88 HE22 GLN 88 146.105 -2.667 -15.473 695 2HE2 GLN 88 HE21 GLN 88 146.227 -4.190 -14.735 696 H HIS 89 HN HIS 89 142.553 -6.447 -11.166 697 HA HIS 89 HA HIS 89 144.769 -8.076 -9.985 698 1HB HIS 89 HB2 HIS 89 143.269 -5.729 -8.781 699 2HB HIS 89 HB1 HIS 89 144.523 -6.663 -7.964 700 HD1 HIS 89 HD1 HIS 89 144.567 -3.531 -8.969 701 HD2 HIS 89 HD2 HIS 89 146.619 -6.770 -10.605 702 HE1 HIS 89 HE1 HIS 89 146.544 -2.566 -10.224 703 HA PRO 90 HA PRO 90 140.749 -10.455 -9.438 704 1HB PRO 90 HB2 PRO 90 142.552 -12.674 -8.908 705 2HB PRO 90 HB1 PRO 90 141.364 -12.491 -10.205 706 1HG PRO 90 HG2 PRO 90 144.216 -12.233 -10.350 707 2HG PRO 90 HG1 PRO 90 143.031 -12.123 -11.658 708 1HD PRO 90 HD2 PRO 90 144.558 -10.008 -10.628 709 2HD PRO 90 HD1 PRO 90 143.152 -9.864 -11.694 710 H ASP 91 HN ASP 91 143.728 -10.258 -7.552 711 HA ASP 91 HA ASP 91 142.760 -11.472 -5.146 712 1HB ASP 91 HB2 ASP 91 145.180 -10.796 -5.786 713 2HB ASP 91 HB1 ASP 91 144.741 -9.197 -5.186 714 H GLN 92 HN GLN 92 142.458 -8.221 -6.466 715 HA GLN 92 HA GLN 92 141.200 -7.221 -3.985 716 1HB GLN 92 HB2 GLN 92 141.821 -5.928 -6.654 717 2HB GLN 92 HB1 GLN 92 140.982 -5.094 -5.346 718 1HG GLN 92 HG2 GLN 92 142.868 -5.276 -3.890 719 2HG GLN 92 HG1 GLN 92 143.667 -6.431 -4.956 720 1HE2 GLN 92 HE22 GLN 92 144.618 -2.652 -5.449 721 2HE2 GLN 92 HE21 GLN 92 144.095 -3.379 -4.006 722 H GLU 93 HN GLU 93 139.005 -6.960 -3.735 723 HA GLU 93 HA GLU 93 137.281 -8.007 -5.922 724 1HB GLU 93 HB2 GLU 93 136.782 -7.558 -2.966 725 2HB GLU 93 HB1 GLU 93 135.531 -8.073 -4.099 726 1HG GLU 93 HG2 GLU 93 137.126 -9.979 -4.745 727 2HG GLU 93 HG1 GLU 93 138.039 -9.552 -3.297 728 H LEU 94 HN LEU 94 134.910 -6.826 -5.543 729 HA LEU 94 HA LEU 94 135.431 -3.883 -5.624 730 1HB LEU 94 HB2 LEU 94 135.090 -5.086 -7.907 731 2HB LEU 94 HB1 LEU 94 133.402 -5.212 -7.413 732 HG LEU 94 HG LEU 94 133.606 -2.664 -6.903 733 1HD1 LEU 94 HD13 LEU 94 136.153 -2.820 -7.293 734 2HD1 LEU 94 HD12 LEU 94 135.757 -2.869 -9.012 735 3HD1 LEU 94 HD11 LEU 94 135.305 -1.467 -8.043 736 1HD2 LEU 94 HD22 LEU 94 132.405 -3.909 -8.848 737 2HD2 LEU 94 HD21 LEU 94 132.736 -2.188 -9.043 738 3HD2 LEU 94 HD23 LEU 94 133.772 -3.380 -9.827 739 H VAL 95 HN VAL 95 134.339 -3.066 -3.905 740 HA VAL 95 HA VAL 95 131.678 -4.252 -3.227 741 HB VAL 95 HB VAL 95 133.484 -2.562 -1.471 742 1HG1 VAL 95 HG11 VAL 95 130.996 -4.204 -0.912 743 2HG1 VAL 95 HG13 VAL 95 131.993 -3.442 0.327 744 3HG1 VAL 95 HG12 VAL 95 131.126 -2.446 -0.844 745 1HG2 VAL 95 HG21 VAL 95 134.465 -4.789 -2.079 746 2HG2 VAL 95 HG23 VAL 95 134.091 -4.646 -0.362 747 3HG2 VAL 95 HG22 VAL 95 133.021 -5.561 -1.425 748 H ILE 96 HN ILE 96 129.912 -2.827 -2.918 749 HA ILE 96 HA ILE 96 130.352 -0.062 -3.975 750 HB ILE 96 HB ILE 96 127.776 -1.656 -4.039 751 1HG1 ILE 96 HG12 ILE 96 129.496 -2.778 -5.410 752 2HG1 ILE 96 HG11 ILE 96 128.270 -2.036 -6.434 753 1HG2 ILE 96 HG23 ILE 96 127.593 0.826 -4.140 754 2HG2 ILE 96 HG22 ILE 96 128.650 0.823 -5.551 755 3HG2 ILE 96 HG21 ILE 96 127.066 0.051 -5.635 756 1HD1 ILE 96 HD11 ILE 96 129.770 -0.059 -6.732 757 2HD1 ILE 96 HD13 ILE 96 131.008 -0.897 -5.798 758 3HD1 ILE 96 HD12 ILE 96 130.481 -1.550 -7.348 759 H ALA 97 HN ALA 97 129.976 1.547 -2.537 760 HA ALA 97 HA ALA 97 128.459 0.885 -0.053 761 1HB ALA 97 HB1 ALA 97 130.927 1.856 -0.137 762 2HB ALA 97 HB3 ALA 97 130.077 3.388 -0.340 763 3HB ALA 97 HB2 ALA 97 129.787 2.401 1.094 764 H GLY 98 HN GLY 98 128.559 3.024 -2.831 765 1HA GLY 98 HA2 GLY 98 125.937 3.700 -3.052 766 2HA GLY 98 HA1 GLY 98 126.460 4.785 -1.762 767 H GLY 99 HN GLY 99 127.067 6.896 -4.659 768 1HA GLY 99 HA2 GLY 99 125.406 6.390 -2.311 769 2HA GLY 99 HA1 GLY 99 125.143 7.650 -3.519 770 H ALA 100 HN ALA 100 122.869 7.080 -3.556 771 HA ALA 100 HA ALA 100 121.926 4.444 -4.207 772 1HB ALA 100 HB2 ALA 100 120.719 7.203 -4.373 773 2HB ALA 100 HB1 ALA 100 119.845 5.792 -4.971 774 3HB ALA 100 HB3 ALA 100 120.309 5.888 -3.271 775 H GLN 101 HN GLN 101 122.949 7.203 -6.152 776 HA GLN 101 HA GLN 101 121.967 6.213 -8.674 777 1HB GLN 101 HB2 GLN 101 124.086 8.218 -7.895 778 2HB GLN 101 HB1 GLN 101 123.796 7.796 -9.583 779 1HG GLN 101 HG2 GLN 101 121.611 8.658 -9.558 780 2HG GLN 101 HG1 GLN 101 121.504 8.585 -7.798 781 1HE2 GLN 101 HE22 GLN 101 123.191 11.839 -9.590 782 2HE2 GLN 101 HE21 GLN 101 122.741 10.485 -10.510 783 H ILE 102 HN ILE 102 124.925 5.693 -6.830 784 HA ILE 102 HA ILE 102 126.365 4.380 -8.980 785 HB ILE 102 HB ILE 102 126.786 4.109 -5.990 786 1HG1 ILE 102 HG12 ILE 102 126.780 6.485 -6.673 787 2HG1 ILE 102 HG11 ILE 102 128.405 5.959 -6.242 788 1HG2 ILE 102 HG23 ILE 102 128.547 3.623 -8.406 789 2HG2 ILE 102 HG22 ILE 102 129.163 3.704 -6.756 790 3HG2 ILE 102 HG21 ILE 102 128.021 2.440 -7.210 791 1HD1 ILE 102 HD11 ILE 102 128.909 5.606 -8.653 792 2HD1 ILE 102 HD13 ILE 102 127.299 6.202 -9.058 793 3HD1 ILE 102 HD12 ILE 102 128.476 7.281 -8.308 794 H PHE 103 HN PHE 103 124.295 3.288 -6.314 795 HA PHE 103 HA PHE 103 124.748 0.484 -6.600 796 1HB PHE 103 HB2 PHE 103 122.415 2.098 -5.564 797 2HB PHE 103 HB1 PHE 103 122.373 0.336 -5.603 798 HD1 PHE 103 HD2 PHE 103 124.995 -0.550 -4.871 799 HD2 PHE 103 HD1 PHE 103 122.816 2.846 -3.393 800 HE1 PHE 103 HE2 PHE 103 126.299 -0.630 -2.764 801 HE2 PHE 103 HE1 PHE 103 124.121 2.764 -1.286 802 HZ PHE 103 HZ PHE 103 125.862 1.026 -0.971 803 H THR 104 HN THR 104 122.491 2.689 -8.226 804 HA THR 104 HA THR 104 121.019 0.673 -9.642 805 HB THR 104 HB THR 104 121.547 3.471 -10.661 806 HG1 THR 104 HG1 THR 104 119.667 2.623 -8.715 807 1HG2 THR 104 HG21 THR 104 120.239 1.682 -11.978 808 2HG2 THR 104 HG23 THR 104 118.997 1.859 -10.738 809 3HG2 THR 104 HG22 THR 104 119.451 3.241 -11.737 810 H ALA 105 HN ALA 105 124.069 2.314 -10.268 811 HA ALA 105 HA ALA 105 124.343 1.536 -13.022 812 1HB ALA 105 HB1 ALA 105 125.705 3.289 -11.718 813 2HB ALA 105 HB3 ALA 105 126.642 1.928 -11.101 814 3HB ALA 105 HB2 ALA 105 126.600 2.255 -12.833 815 H PHE 106 HN PHE 106 125.487 0.055 -9.982 816 HA PHE 106 HA PHE 106 126.290 -2.365 -11.525 817 1HB PHE 106 HB2 PHE 106 126.816 -1.640 -8.626 818 2HB PHE 106 HB1 PHE 106 127.475 -3.035 -9.479 819 HD1 PHE 106 HD2 PHE 106 128.811 -2.544 -11.664 820 HD2 PHE 106 HD1 PHE 106 127.983 0.396 -8.646 821 HE1 PHE 106 HE2 PHE 106 130.679 -1.150 -12.511 822 HE2 PHE 106 HE1 PHE 106 129.851 1.792 -9.493 823 HZ PHE 106 HZ PHE 106 131.198 1.018 -11.425 824 H LYS 107 HN LYS 107 123.489 -1.782 -11.127 825 HA LYS 107 HA LYS 107 122.530 -3.465 -8.931 826 1HB LYS 107 HB2 LYS 107 121.293 -1.448 -9.835 827 2HB LYS 107 HB1 LYS 107 120.953 -2.392 -11.285 828 1HG LYS 107 HG2 LYS 107 119.623 -3.946 -10.109 829 2HG LYS 107 HG1 LYS 107 120.285 -3.462 -8.546 830 1HD LYS 107 HD2 LYS 107 118.917 -1.631 -8.376 831 2HD LYS 107 HD1 LYS 107 118.918 -1.339 -10.115 832 1HE LYS 107 HE2 LYS 107 116.694 -2.087 -9.348 833 2HE LYS 107 HE1 LYS 107 117.414 -3.262 -10.447 834 1HZ LYS 107 HZ1 LYS 107 117.522 -3.425 -7.485 835 2HZ LYS 107 HZ3 LYS 107 116.441 -4.292 -8.462 836 3HZ LYS 107 HZ2 LYS 107 118.110 -4.581 -8.581 837 H ASP 108 HN ASP 108 123.035 -3.778 -12.411 838 HA ASP 108 HA ASP 108 121.905 -6.526 -12.356 839 1HB ASP 108 HB2 ASP 108 122.685 -4.613 -14.548 840 2HB ASP 108 HB1 ASP 108 122.484 -6.333 -14.889 841 H ASP 109 HN ASP 109 124.382 -5.987 -10.952 842 HA ASP 109 HA ASP 109 126.033 -8.064 -12.171 843 1HB ASP 109 HB2 ASP 109 126.828 -5.171 -12.256 844 2HB ASP 109 HB1 ASP 109 128.076 -6.393 -12.014 845 H VAL 110 HN VAL 110 125.183 -8.755 -9.964 846 HA VAL 110 HA VAL 110 127.306 -8.452 -8.000 847 HB VAL 110 HB VAL 110 126.042 -6.377 -7.572 848 1HG1 VAL 110 HG12 VAL 110 123.703 -8.252 -7.109 849 2HG1 VAL 110 HG11 VAL 110 123.699 -6.520 -6.776 850 3HG1 VAL 110 HG13 VAL 110 123.860 -7.099 -8.434 851 1HG2 VAL 110 HG22 VAL 110 126.990 -7.955 -5.702 852 2HG2 VAL 110 HG21 VAL 110 125.948 -6.609 -5.243 853 3HG2 VAL 110 HG23 VAL 110 125.290 -8.243 -5.335 854 H ASP 111 HN ASP 111 127.367 -10.266 -6.723 855 HA ASP 111 HA ASP 111 124.964 -12.049 -6.762 856 1HB ASP 111 HB2 ASP 111 126.583 -13.962 -6.682 857 2HB ASP 111 HB1 ASP 111 126.695 -13.020 -8.169 858 H THR 112 HN THR 112 126.048 -9.998 -4.760 859 HA THR 112 HA THR 112 125.630 -11.652 -2.386 860 HB THR 112 HB THR 112 128.236 -10.126 -2.583 861 HG1 THR 112 HG1 THR 112 128.784 -11.726 -3.833 862 1HG2 THR 112 HG21 THR 112 126.856 -11.841 -0.576 863 2HG2 THR 112 HG23 THR 112 128.608 -12.003 -0.704 864 3HG2 THR 112 HG22 THR 112 127.892 -10.434 -0.333 865 H LEU 113 HN LEU 113 124.124 -10.373 -1.420 866 HA LEU 113 HA LEU 113 124.504 -7.416 -1.498 867 1HB LEU 113 HB2 LEU 113 122.046 -9.057 -0.810 868 2HB LEU 113 HB1 LEU 113 122.113 -7.296 -0.893 869 HG LEU 113 HG LEU 113 122.814 -9.107 -3.218 870 1HD1 LEU 113 HD12 LEU 113 120.383 -9.211 -2.402 871 2HD1 LEU 113 HD11 LEU 113 120.265 -7.517 -2.878 872 3HD1 LEU 113 HD13 LEU 113 120.624 -8.751 -4.086 873 1HD2 LEU 113 HD22 LEU 113 122.604 -6.151 -2.754 874 2HD2 LEU 113 HD21 LEU 113 123.800 -7.054 -3.685 875 3HD2 LEU 113 HD23 LEU 113 122.187 -6.788 -4.345 876 H LEU 114 HN LEU 114 125.819 -6.959 0.251 877 HA LEU 114 HA LEU 114 125.268 -8.228 2.868 878 1HB LEU 114 HB2 LEU 114 127.387 -6.241 1.991 879 2HB LEU 114 HB1 LEU 114 127.281 -6.948 3.603 880 HG LEU 114 HG LEU 114 127.258 -8.844 1.309 881 1HD1 LEU 114 HD12 LEU 114 129.014 -7.191 0.687 882 2HD1 LEU 114 HD11 LEU 114 129.785 -7.454 2.252 883 3HD1 LEU 114 HD13 LEU 114 129.695 -8.770 1.081 884 1HD2 LEU 114 HD23 LEU 114 128.400 -8.716 4.105 885 2HD2 LEU 114 HD22 LEU 114 127.165 -9.809 3.480 886 3HD2 LEU 114 HD21 LEU 114 128.846 -10.000 2.981 887 H VAL 115 HN VAL 115 123.920 -7.263 4.309 888 HA VAL 115 HA VAL 115 123.714 -4.301 4.321 889 HB VAL 115 HB VAL 115 121.889 -5.114 2.871 890 1HG1 VAL 115 HG13 VAL 115 121.744 -7.377 3.982 891 2HG1 VAL 115 HG12 VAL 115 120.879 -6.600 5.308 892 3HG1 VAL 115 HG11 VAL 115 120.184 -6.608 3.687 893 1HG2 VAL 115 HG22 VAL 115 121.571 -3.153 4.436 894 2HG2 VAL 115 HG21 VAL 115 120.075 -3.966 3.979 895 3HG2 VAL 115 HG23 VAL 115 120.789 -4.260 5.564 896 H THR 116 HN THR 116 123.267 -3.451 6.363 897 HA THR 116 HA THR 116 123.273 -5.432 8.597 898 HB THR 116 HB THR 116 123.906 -2.479 8.793 899 HG1 THR 116 HG1 THR 116 126.110 -3.250 8.706 900 1HG2 THR 116 HG21 THR 116 123.364 -3.943 10.834 901 2HG2 THR 116 HG23 THR 116 124.886 -4.770 10.498 902 3HG2 THR 116 HG22 THR 116 124.884 -3.048 10.879 903 H ARG 117 HN ARG 117 121.117 -5.809 9.023 904 HA ARG 117 HA ARG 117 119.120 -3.686 8.901 905 1HB ARG 117 HB2 ARG 117 119.099 -6.580 9.745 906 2HB ARG 117 HB1 ARG 117 117.705 -5.543 10.050 907 1HG ARG 117 HG2 ARG 117 118.167 -4.920 7.460 908 2HG ARG 117 HG1 ARG 117 118.765 -6.578 7.475 909 1HD ARG 117 HD2 ARG 117 116.407 -6.781 8.908 910 2HD ARG 117 HD1 ARG 117 116.009 -5.586 7.673 911 HE ARG 117 HE ARG 117 117.380 -7.821 6.489 912 1HH1 ARG 117 HH21 ARG 117 114.295 -6.853 7.818 913 2HH1 ARG 117 HH22 ARG 117 113.412 -7.990 6.860 914 1HH2 ARG 117 HH11 ARG 117 116.200 -9.278 5.270 915 2HH2 ARG 117 HH12 ARG 117 114.477 -9.350 5.432 916 H LEU 118 HN LEU 118 118.738 -2.254 10.504 917 HA LEU 118 HA LEU 118 119.836 -2.809 13.210 918 1HB LEU 118 HB2 LEU 118 119.125 -0.353 11.670 919 2HB LEU 118 HB1 LEU 118 118.961 -0.286 13.426 920 HG LEU 118 HG LEU 118 121.332 -1.269 13.522 921 1HD1 LEU 118 HD13 LEU 118 121.339 -1.969 11.117 922 2HD1 LEU 118 HD12 LEU 118 121.352 -0.266 10.659 923 3HD1 LEU 118 HD11 LEU 118 122.715 -0.952 11.543 924 1HD2 LEU 118 HD21 LEU 118 120.744 1.497 12.436 925 2HD2 LEU 118 HD23 LEU 118 120.994 1.031 14.118 926 3HD2 LEU 118 HD22 LEU 118 122.347 1.010 12.986 927 H ALA 119 HN ALA 119 118.410 -2.082 15.074 928 HA ALA 119 HA ALA 119 115.635 -3.044 14.588 929 1HB ALA 119 HB1 ALA 119 117.089 -4.099 16.382 930 2HB ALA 119 HB3 ALA 119 116.998 -2.565 17.250 931 3HB ALA 119 HB2 ALA 119 115.531 -3.497 16.949 932 H GLY 120 HN GLY 120 117.460 -0.313 15.918 933 1HA GLY 120 HA2 GLY 120 115.160 1.172 16.826 934 2HA GLY 120 HA1 GLY 120 116.763 1.848 16.529 935 H SER 121 HN SER 121 114.056 2.881 15.771 936 HA SER 121 HA SER 121 114.137 2.727 12.810 937 1HB SER 121 HB2 SER 121 111.939 2.521 13.858 938 2HB SER 121 HB1 SER 121 112.175 4.042 14.714 939 HG SER 121 HG SER 121 111.972 3.616 11.914 940 H PHE 122 HN PHE 122 114.312 4.655 11.522 941 HA PHE 122 HA PHE 122 115.089 7.163 12.877 942 1HB PHE 122 HB2 PHE 122 116.934 5.736 10.936 943 2HB PHE 122 HB1 PHE 122 117.210 7.332 11.636 944 HD1 PHE 122 HD2 PHE 122 117.661 7.588 14.057 945 HD2 PHE 122 HD1 PHE 122 117.244 3.721 12.234 946 HE1 PHE 122 HE2 PHE 122 118.682 6.535 16.057 947 HE2 PHE 122 HE1 PHE 122 118.265 2.668 14.233 948 HZ PHE 122 HZ PHE 122 118.984 4.075 16.145 949 H GLU 123 HN GLU 123 114.830 8.986 11.517 950 HA GLU 123 HA GLU 123 113.560 8.398 8.870 951 1HB GLU 123 HB2 GLU 123 112.346 10.569 9.204 952 2HB GLU 123 HB1 GLU 123 111.933 9.348 10.408 953 1HG GLU 123 HG2 GLU 123 113.369 10.364 12.048 954 2HG GLU 123 HG1 GLU 123 114.065 11.452 10.847 955 H GLY 124 HN GLY 124 114.087 9.833 7.131 956 1HA GLY 124 HA2 GLY 124 115.890 12.061 7.413 957 2HA GLY 124 HA1 GLY 124 116.772 10.625 6.891 958 H ASP 125 HN ASP 125 117.187 11.199 4.763 959 HA ASP 125 HA ASP 125 114.789 11.442 3.001 960 1HB ASP 125 HB2 ASP 125 117.264 13.173 3.045 961 2HB ASP 125 HB1 ASP 125 116.281 13.012 1.589 962 H THR 126 HN THR 126 118.297 10.805 3.150 963 HA THR 126 HA THR 126 118.389 9.479 0.578 964 HB THR 126 HB THR 126 120.353 8.914 2.783 965 HG1 THR 126 HG1 THR 126 120.418 11.017 3.011 966 1HG2 THR 126 HG21 THR 126 120.363 8.042 0.305 967 2HG2 THR 126 HG23 THR 126 120.958 9.662 -0.060 968 3HG2 THR 126 HG22 THR 126 121.863 8.616 1.034 969 H LYS 127 HN LYS 127 117.294 7.610 0.234 970 HA LYS 127 HA LYS 127 117.338 5.544 2.400 971 1HB LYS 127 HB2 LYS 127 115.154 6.343 0.476 972 2HB LYS 127 HB1 LYS 127 115.171 4.747 1.226 973 1HG LYS 127 HG2 LYS 127 115.186 5.759 3.455 974 2HG LYS 127 HG1 LYS 127 115.253 7.371 2.742 975 1HD LYS 127 HD2 LYS 127 113.084 6.599 1.477 976 2HD LYS 127 HD1 LYS 127 112.973 5.418 2.783 977 1HE LYS 127 HE2 LYS 127 113.389 7.500 4.330 978 2HE LYS 127 HE1 LYS 127 112.831 8.414 2.929 979 1HZ LYS 127 HZ1 LYS 127 110.839 6.991 2.896 980 2HZ LYS 127 HZ3 LYS 127 111.366 6.242 4.323 981 3HZ LYS 127 HZ2 LYS 127 110.974 7.895 4.327 982 H MET 128 HN MET 128 117.074 3.277 1.470 983 HA MET 128 HA MET 128 118.974 2.952 -0.751 984 1HB MET 128 HB2 MET 128 118.884 1.514 1.383 985 2HB MET 128 HB1 MET 128 117.471 0.744 0.662 986 1HG MET 128 HG2 MET 128 119.307 -0.612 -0.001 987 2HG MET 128 HG1 MET 128 118.935 0.373 -1.415 988 1HE MET 128 HE3 MET 128 121.351 -1.126 -1.281 989 2HE MET 128 HE2 MET 128 121.451 0.115 -2.528 990 3HE MET 128 HE1 MET 128 122.795 -0.113 -1.413 991 H ILE 129 HN ILE 129 118.461 2.026 -2.765 992 HA ILE 129 HA ILE 129 115.849 2.544 -3.818 993 HB ILE 129 HB ILE 129 116.664 1.241 -5.802 994 1HG1 ILE 129 HG12 ILE 129 119.250 0.947 -4.267 995 2HG1 ILE 129 HG11 ILE 129 118.031 -0.328 -4.272 996 1HG2 ILE 129 HG22 ILE 129 118.562 3.266 -4.581 997 2HG2 ILE 129 HG21 ILE 129 118.605 2.756 -6.268 998 3HG2 ILE 129 HG23 ILE 129 117.196 3.611 -5.641 999 1HD1 ILE 129 HD13 ILE 129 118.093 -0.284 -6.786 1000 2HD1 ILE 129 HD12 ILE 129 119.446 0.842 -6.683 1001 3HD1 ILE 129 HD11 ILE 129 119.611 -0.795 -6.049 1002 HA PRO 130 HA PRO 130 113.663 -1.232 -2.959 1003 1HB PRO 130 HB2 PRO 130 112.205 -1.455 -5.343 1004 2HB PRO 130 HB1 PRO 130 111.745 -0.500 -3.927 1005 1HG PRO 130 HG2 PRO 130 112.536 0.440 -6.511 1006 2HG PRO 130 HG1 PRO 130 112.059 1.390 -5.097 1007 1HD PRO 130 HD2 PRO 130 114.735 0.892 -6.160 1008 2HD PRO 130 HD1 PRO 130 114.210 2.090 -4.965 1009 H LEU 131 HN LEU 131 115.253 -2.870 -2.988 1010 HA LEU 131 HA LEU 131 116.062 -4.034 -5.585 1011 1HB LEU 131 HB2 LEU 131 116.884 -4.627 -2.728 1012 2HB LEU 131 HB1 LEU 131 117.506 -5.498 -4.130 1013 HG LEU 131 HG LEU 131 117.621 -2.526 -4.243 1014 1HD1 LEU 131 HD12 LEU 131 118.339 -3.246 -1.892 1015 2HD1 LEU 131 HD11 LEU 131 119.677 -4.090 -2.671 1016 3HD1 LEU 131 HD13 LEU 131 119.530 -2.340 -2.825 1017 1HD2 LEU 131 HD21 LEU 131 118.449 -4.318 -5.957 1018 2HD2 LEU 131 HD23 LEU 131 119.497 -2.947 -5.597 1019 3HD2 LEU 131 HD22 LEU 131 119.806 -4.513 -4.847 1020 H ASN 132 HN ASN 132 116.171 -6.616 -5.397 1021 HA ASN 132 HA ASN 132 113.422 -7.492 -4.607 1022 1HB ASN 132 HB2 ASN 132 114.477 -7.611 -7.085 1023 2HB ASN 132 HB1 ASN 132 115.064 -9.150 -6.455 1024 1HD2 ASN 132 HD22 ASN 132 111.896 -10.394 -7.502 1025 2HD2 ASN 132 HD21 ASN 132 113.555 -10.347 -7.854 1026 H TRP 133 HN TRP 133 113.336 -8.862 -2.906 1027 HA TRP 133 HA TRP 133 115.840 -10.226 -2.050 1028 1HB TRP 133 HB2 TRP 133 113.218 -9.891 -0.560 1029 2HB TRP 133 HB1 TRP 133 114.726 -10.516 0.106 1030 HD1 TRP 133 HD1 TRP 133 113.113 -7.287 -1.158 1031 HE1 TRP 133 HE1 TRP 133 114.485 -5.284 -0.291 1032 HE3 TRP 133 HE3 TRP 133 117.056 -9.761 0.942 1033 HZ2 TRP 133 HZ2 TRP 133 116.932 -4.795 1.108 1034 HZ3 TRP 133 HZ3 TRP 133 118.892 -8.504 2.034 1035 HH2 TRP 133 HH2 TRP 133 118.835 -6.026 2.119 1036 H ASP 134 HN ASP 134 112.588 -10.839 -3.211 1037 HA ASP 134 HA ASP 134 112.340 -13.582 -2.488 1038 1HB ASP 134 HB2 ASP 134 110.757 -13.705 -4.429 1039 2HB ASP 134 HB1 ASP 134 110.435 -12.344 -3.354 1040 H ASP 135 HN ASP 135 114.242 -12.020 -4.975 1041 HA ASP 135 HA ASP 135 114.805 -14.622 -6.287 1042 1HB ASP 135 HB2 ASP 135 115.305 -11.743 -6.989 1043 2HB ASP 135 HB1 ASP 135 116.261 -13.008 -7.760 1044 H PHE 136 HN PHE 136 115.752 -14.168 -3.575 1045 HA PHE 136 HA PHE 136 118.613 -14.698 -4.041 1046 1HB PHE 136 HB2 PHE 136 117.589 -12.339 -2.453 1047 2HB PHE 136 HB1 PHE 136 119.176 -13.042 -2.148 1048 HD1 PHE 136 HD2 PHE 136 117.095 -11.199 -4.563 1049 HD2 PHE 136 HD1 PHE 136 120.967 -12.900 -3.803 1050 HE1 PHE 136 HE2 PHE 136 118.027 -9.939 -6.485 1051 HE2 PHE 136 HE1 PHE 136 121.898 -11.638 -5.725 1052 HZ PHE 136 HZ PHE 136 120.427 -10.158 -7.066 1053 H THR 137 HN THR 137 119.621 -15.664 -2.120 1054 HA THR 137 HA THR 137 117.597 -16.751 -0.199 1055 HB THR 137 HB THR 137 120.153 -18.103 -1.114 1056 HG1 THR 137 HG1 THR 137 118.598 -19.461 -2.232 1057 1HG2 THR 137 HG23 THR 137 119.161 -18.669 1.159 1058 2HG2 THR 137 HG22 THR 137 117.743 -19.265 0.296 1059 3HG2 THR 137 HG21 THR 137 119.313 -20.025 0.043 1060 H LYS 138 HN LYS 138 118.250 -16.903 1.995 1061 HA LYS 138 HA LYS 138 120.396 -15.022 2.744 1062 1HB LYS 138 HB2 LYS 138 117.935 -15.567 3.833 1063 2HB LYS 138 HB1 LYS 138 118.995 -16.505 4.883 1064 1HG LYS 138 HG2 LYS 138 120.425 -14.221 4.754 1065 2HG LYS 138 HG1 LYS 138 118.807 -13.558 4.524 1066 1HD LYS 138 HD2 LYS 138 119.600 -15.406 6.793 1067 2HD LYS 138 HD1 LYS 138 119.467 -13.653 6.927 1068 1HE LYS 138 HE2 LYS 138 117.106 -14.999 5.757 1069 2HE LYS 138 HE1 LYS 138 117.415 -15.369 7.453 1070 1HZ LYS 138 HZ1 LYS 138 117.736 -12.813 7.616 1071 2HZ LYS 138 HZ3 LYS 138 116.809 -12.784 6.195 1072 3HZ LYS 138 HZ2 LYS 138 116.169 -13.470 7.611 1073 H VAL 139 HN VAL 139 122.416 -15.709 3.248 1074 HA VAL 139 HA VAL 139 122.836 -18.625 3.700 1075 HB VAL 139 HB VAL 139 124.891 -16.485 3.065 1076 1HG1 VAL 139 HG11 VAL 139 125.699 -18.574 4.196 1077 2HG1 VAL 139 HG13 VAL 139 125.030 -19.508 2.858 1078 3HG1 VAL 139 HG12 VAL 139 126.345 -18.369 2.568 1079 1HG2 VAL 139 HG22 VAL 139 123.369 -18.408 1.281 1080 2HG2 VAL 139 HG21 VAL 139 123.378 -16.648 1.188 1081 3HG2 VAL 139 HG23 VAL 139 124.828 -17.560 0.772 1082 H SER 140 HN SER 140 123.890 -15.448 4.967 1083 HA SER 140 HA SER 140 124.298 -16.781 7.614 1084 1HB SER 140 HB2 SER 140 126.413 -16.016 6.310 1085 2HB SER 140 HB1 SER 140 125.893 -14.384 6.721 1086 HG SER 140 HG SER 140 127.344 -15.720 8.221 1087 H SER 141 HN SER 141 123.940 -15.353 9.465 1088 HA SER 141 HA SER 141 122.842 -12.701 9.151 1089 1HB SER 141 HB2 SER 141 120.905 -13.923 8.288 1090 2HB SER 141 HB1 SER 141 120.904 -14.970 9.705 1091 HG SER 141 HG SER 141 119.411 -13.210 9.855 1092 H ARG 142 HN ARG 142 124.425 -12.406 10.836 1093 HA ARG 142 HA ARG 142 123.882 -13.747 13.429 1094 1HB ARG 142 HB2 ARG 142 126.239 -13.389 12.327 1095 2HB ARG 142 HB1 ARG 142 126.091 -11.757 12.982 1096 1HG ARG 142 HG2 ARG 142 126.162 -12.482 15.178 1097 2HG ARG 142 HG1 ARG 142 125.471 -14.058 14.790 1098 1HD ARG 142 HD2 ARG 142 127.510 -14.935 14.096 1099 2HD ARG 142 HD1 ARG 142 128.169 -13.351 13.688 1100 HE ARG 142 HE ARG 142 127.822 -13.248 16.439 1101 1HH1 ARG 142 HH21 ARG 142 129.495 -15.382 14.230 1102 2HH1 ARG 142 HH22 ARG 142 130.707 -15.797 15.390 1103 1HH2 ARG 142 HH11 ARG 142 129.411 -13.814 17.909 1104 2HH2 ARG 142 HH12 ARG 142 130.661 -14.921 17.452 1105 H THR 143 HN THR 143 122.966 -12.669 15.129 1106 HA THR 143 HA THR 143 122.218 -9.817 14.685 1107 HB THR 143 HB THR 143 121.132 -11.733 16.767 1108 HG1 THR 143 HG1 THR 143 119.558 -12.214 15.335 1109 1HG2 THR 143 HG22 THR 143 120.931 -9.083 16.807 1110 2HG2 THR 143 HG21 THR 143 119.659 -9.395 15.626 1111 3HG2 THR 143 HG23 THR 143 119.559 -10.105 17.237 1112 H VAL 144 HN VAL 144 123.302 -8.294 15.829 1113 HA VAL 144 HA VAL 144 124.726 -9.155 18.318 1114 HB VAL 144 HB VAL 144 125.507 -6.910 16.434 1115 1HG1 VAL 144 HG12 VAL 144 126.146 -6.922 18.962 1116 2HG1 VAL 144 HG11 VAL 144 127.235 -8.237 18.516 1117 3HG1 VAL 144 HG13 VAL 144 127.421 -6.647 17.775 1118 1HG2 VAL 144 HG23 VAL 144 126.540 -9.748 16.716 1119 2HG2 VAL 144 HG22 VAL 144 125.812 -9.021 15.284 1120 3HG2 VAL 144 HG21 VAL 144 127.395 -8.478 15.841 1121 H GLU 145 HN GLU 145 124.048 -8.149 20.144 1122 HA GLU 145 HA GLU 145 122.146 -5.899 19.913 1123 1HB GLU 145 HB2 GLU 145 121.893 -7.951 21.481 1124 2HB GLU 145 HB1 GLU 145 123.093 -7.145 22.492 1125 1HG GLU 145 HG2 GLU 145 121.693 -5.254 22.834 1126 2HG GLU 145 HG1 GLU 145 120.611 -5.723 21.522 1127 H ASP 146 HN ASP 146 122.516 -3.860 20.922 1128 HA ASP 146 HA ASP 146 125.393 -3.308 21.536 1129 1HB ASP 146 HB2 ASP 146 123.979 -2.201 19.517 1130 2HB ASP 146 HB1 ASP 146 123.578 -1.068 20.808 1131 H THR 147 HN THR 147 125.265 -0.919 22.772 1132 HA THR 147 HA THR 147 124.311 -1.558 25.404 1133 HB THR 147 HB THR 147 124.838 0.880 25.864 1134 HG1 THR 147 HG1 THR 147 124.848 2.078 24.156 1135 1HG2 THR 147 HG22 THR 147 126.487 -1.144 25.821 1136 2HG2 THR 147 HG21 THR 147 127.095 -0.398 24.344 1137 3HG2 THR 147 HG23 THR 147 127.148 0.490 25.865 1138 H ASN 148 HN ASN 148 122.968 0.325 22.733 1139 HA ASN 148 HA ASN 148 120.531 0.812 24.391 1140 1HB ASN 148 HB2 ASN 148 121.880 2.777 23.346 1141 2HB ASN 148 HB1 ASN 148 121.158 2.258 21.823 1142 1HD2 ASN 148 HD22 ASN 148 118.935 4.368 24.440 1143 2HD2 ASN 148 HD21 ASN 148 120.598 4.108 24.661 1144 HA PRO 149 HA PRO 149 118.313 -2.189 21.945 1145 1HB PRO 149 HB2 PRO 149 115.898 -0.608 21.967 1146 2HB PRO 149 HB1 PRO 149 116.263 -2.070 22.890 1147 1HG PRO 149 HG2 PRO 149 116.177 0.658 23.802 1148 2HG PRO 149 HG1 PRO 149 116.407 -0.819 24.746 1149 1HD PRO 149 HD2 PRO 149 118.349 1.140 24.228 1150 2HD PRO 149 HD1 PRO 149 118.636 -0.471 24.900 1151 H ALA 150 HN ALA 150 118.026 1.267 21.204 1152 HA ALA 150 HA ALA 150 117.085 0.871 18.491 1153 1HB ALA 150 HB3 ALA 150 116.800 2.976 19.884 1154 2HB ALA 150 HB2 ALA 150 118.506 3.309 19.584 1155 3HB ALA 150 HB1 ALA 150 117.371 3.239 18.237 1156 H LEU 151 HN LEU 151 120.216 0.748 19.993 1157 HA LEU 151 HA LEU 151 121.625 1.194 17.433 1158 1HB LEU 151 HB2 LEU 151 122.536 0.713 20.272 1159 2HB LEU 151 HB1 LEU 151 123.663 0.703 18.915 1160 HG LEU 151 HG LEU 151 121.770 2.998 19.471 1161 1HD1 LEU 151 HD11 LEU 151 123.353 2.689 21.357 1162 2HD1 LEU 151 HD13 LEU 151 124.698 2.722 20.217 1163 3HD1 LEU 151 HD12 LEU 151 123.703 4.160 20.448 1164 1HD2 LEU 151 HD21 LEU 151 124.113 2.512 17.627 1165 2HD2 LEU 151 HD23 LEU 151 122.492 3.071 17.214 1166 3HD2 LEU 151 HD22 LEU 151 123.609 4.147 18.053 1167 H THR 152 HN THR 152 119.856 -1.282 18.170 1168 HA THR 152 HA THR 152 121.745 -3.501 18.177 1169 HB THR 152 HB THR 152 118.810 -3.583 17.434 1170 HG1 THR 152 HG1 THR 152 120.011 -3.819 19.991 1171 1HG2 THR 152 HG23 THR 152 120.387 -5.581 17.068 1172 2HG2 THR 152 HG22 THR 152 120.479 -5.676 18.827 1173 3HG2 THR 152 HG21 THR 152 118.928 -5.878 18.011 1174 H HIS 153 HN HIS 153 122.499 -4.639 16.404 1175 HA HIS 153 HA HIS 153 121.399 -3.945 13.723 1176 1HB HIS 153 HB2 HIS 153 123.747 -3.812 12.848 1177 2HB HIS 153 HB1 HIS 153 123.348 -2.515 13.974 1178 HD1 HIS 153 HD1 HIS 153 124.228 -2.852 16.494 1179 HD2 HIS 153 HD2 HIS 153 125.874 -5.427 13.658 1180 HE1 HIS 153 HE1 HIS 153 126.291 -3.866 17.558 1181 H THR 154 HN THR 154 121.841 -5.584 12.106 1182 HA THR 154 HA THR 154 122.859 -8.177 13.177 1183 HB THR 154 HB THR 154 120.357 -7.887 11.486 1184 HG1 THR 154 HG1 THR 154 120.705 -8.369 14.257 1185 1HG2 THR 154 HG22 THR 154 121.948 -10.020 11.568 1186 2HG2 THR 154 HG21 THR 154 121.079 -10.311 13.076 1187 3HG2 THR 154 HG23 THR 154 120.193 -10.190 11.555 1188 H TYR 155 HN TYR 155 124.534 -8.734 11.883 1189 HA TYR 155 HA TYR 155 124.862 -7.605 9.219 1190 1HB TYR 155 HB2 TYR 155 126.407 -9.796 10.642 1191 2HB TYR 155 HB1 TYR 155 126.904 -9.004 9.146 1192 HD1 TYR 155 HD2 TYR 155 126.643 -6.269 9.359 1193 HD2 TYR 155 HD1 TYR 155 127.472 -9.016 12.555 1194 HE1 TYR 155 HE2 TYR 155 127.671 -4.432 10.670 1195 HE2 TYR 155 HE1 TYR 155 128.501 -7.179 13.867 1196 HH TYR 155 HH TYR 155 129.622 -4.923 13.299 1197 H GLU 156 HN GLU 156 123.621 -8.360 7.575 1198 HA GLU 156 HA GLU 156 123.038 -11.291 7.478 1199 1HB GLU 156 HB2 GLU 156 121.529 -8.875 6.493 1200 2HB GLU 156 HB1 GLU 156 121.221 -10.472 5.810 1201 1HG GLU 156 HG2 GLU 156 120.960 -11.272 8.242 1202 2HG GLU 156 HG1 GLU 156 120.861 -9.563 8.667 1203 H VAL 157 HN VAL 157 123.998 -12.419 5.863 1204 HA VAL 157 HA VAL 157 125.256 -10.878 3.634 1205 HB VAL 157 HB VAL 157 125.896 -13.686 4.585 1206 1HG1 VAL 157 HG13 VAL 157 126.419 -12.781 2.164 1207 2HG1 VAL 157 HG12 VAL 157 127.706 -11.901 2.989 1208 3HG1 VAL 157 HG11 VAL 157 127.656 -13.662 3.059 1209 1HG2 VAL 157 HG23 VAL 157 126.831 -10.990 5.447 1210 2HG2 VAL 157 HG22 VAL 157 126.713 -12.486 6.373 1211 3HG2 VAL 157 HG21 VAL 157 128.062 -12.239 5.265 1212 H TRP 158 HN TRP 158 123.357 -10.826 2.315 1213 HA TRP 158 HA TRP 158 121.988 -13.319 1.611 1214 1HB TRP 158 HB2 TRP 158 121.778 -10.485 0.557 1215 2HB TRP 158 HB1 TRP 158 120.784 -11.819 -0.030 1216 HD1 TRP 158 HD1 TRP 158 121.595 -9.992 3.273 1217 HE1 TRP 158 HE1 TRP 158 119.527 -10.138 4.805 1218 HE3 TRP 158 HE3 TRP 158 118.577 -12.946 0.401 1219 HZ2 TRP 158 HZ2 TRP 158 116.935 -11.345 4.811 1220 HZ3 TRP 158 HZ3 TRP 158 116.315 -13.578 1.194 1221 HH2 TRP 158 HH2 TRP 158 115.492 -12.782 3.393 1222 H GLN 159 HN GLN 159 122.319 -14.526 -0.237 1223 HA GLN 159 HA GLN 159 124.342 -13.519 -2.194 1224 1HB GLN 159 HB2 GLN 159 124.185 -16.235 -0.872 1225 2HB GLN 159 HB1 GLN 159 125.084 -15.963 -2.364 1226 1HG GLN 159 HG2 GLN 159 126.511 -14.336 -1.291 1227 2HG GLN 159 HG1 GLN 159 125.524 -14.365 0.171 1228 1HE2 GLN 159 HE22 GLN 159 127.958 -17.597 -0.604 1229 2HE2 GLN 159 HE21 GLN 159 127.405 -16.651 -1.900 1230 H LYS 160 HN LYS 160 123.982 -14.180 -4.359 1231 HA LYS 160 HA LYS 160 121.213 -14.753 -5.029 1232 1HB LYS 160 HB2 LYS 160 122.733 -13.315 -6.423 1233 2HB LYS 160 HB1 LYS 160 123.633 -14.769 -6.857 1234 1HG LYS 160 HG2 LYS 160 121.918 -15.614 -8.156 1235 2HG LYS 160 HG1 LYS 160 120.666 -14.797 -7.220 1236 1HD LYS 160 HD2 LYS 160 120.834 -12.859 -8.428 1237 2HD LYS 160 HD1 LYS 160 122.574 -13.036 -8.664 1238 1HE LYS 160 HE2 LYS 160 120.794 -15.023 -10.003 1239 2HE LYS 160 HE1 LYS 160 120.846 -13.393 -10.674 1240 1HZ LYS 160 HZ3 LYS 160 123.244 -15.045 -10.104 1241 2HZ LYS 160 HZ2 LYS 160 122.519 -14.907 -11.634 1242 3HZ LYS 160 HZ1 LYS 160 123.209 -13.544 -10.891 1243 H LYS 161 HN LYS 161 120.357 -16.757 -5.011 1244 HA LYS 161 HA LYS 161 121.903 -19.151 -4.702 1245 1HB LYS 161 HB2 LYS 161 119.724 -20.308 -5.227 1246 2HB LYS 161 HB1 LYS 161 119.609 -19.113 -3.936 1247 1HG LYS 161 HG2 LYS 161 119.160 -17.967 -6.607 1248 2HG LYS 161 HG1 LYS 161 117.984 -19.208 -6.180 1249 1HD LYS 161 HD2 LYS 161 118.649 -17.192 -4.085 1250 2HD LYS 161 HD1 LYS 161 117.666 -16.650 -5.446 1251 1HE LYS 161 HE2 LYS 161 116.983 -19.211 -4.025 1252 2HE LYS 161 HE1 LYS 161 116.470 -17.662 -3.353 1253 1HZ LYS 161 HZ1 LYS 161 115.955 -18.439 -6.164 1254 2HZ LYS 161 HZ3 LYS 161 114.863 -18.771 -4.909 1255 3HZ LYS 161 HZ2 LYS 161 115.257 -17.162 -5.288 1256 H ALA 162 HN ALA 162 122.633 -20.627 -6.215 1257 HA ALA 162 HA ALA 162 121.744 -20.790 -8.929 1258 1HB ALA 162 HB3 ALA 162 124.143 -19.045 -8.372 1259 2HB ALA 162 HB2 ALA 162 123.961 -19.883 -9.914 1260 3HB ALA 162 HB1 ALA 162 122.753 -18.703 -9.403 1261 1HN2 MTX 170 1HN2 MTX 170 128.576 -1.399 8.133 1262 2HN2 MTX 170 2HN2 MTX 170 128.506 -1.871 6.503 1263 1HN4 MTX 170 1HN4 MTX 170 128.809 1.307 3.022 1264 2HN4 MTX 170 2HN4 MTX 170 128.994 2.954 3.387 1265 H7 MTX 170 H7 MTX 170 129.340 5.500 8.694 1266 1H9 MTX 170 H91 MTX 170 128.455 6.905 5.871 1267 2H9 MTX 170 H92 MTX 170 130.089 6.556 5.294 1268 1HM MTX 170 HM1 MTX 170 129.859 9.402 7.573 1269 2HM MTX 170 HM2 MTX 170 128.880 8.358 8.646 1270 3HM MTX 170 HM3 MTX 170 128.355 8.649 6.961 1271 H12 MTX 170 H13 MTX 170 132.984 7.445 10.698 1272 H13 MTX 170 H12 MTX 170 130.754 7.947 9.695 1273 H15 MTX 170 H16 MTX 170 132.039 6.139 5.966 1274 H16 MTX 170 H15 MTX 170 134.264 5.642 6.981 1275 HN MTX 170 HN MTX 170 135.078 4.364 8.620 1276 HA MTX 170 HA MTX 170 137.466 5.533 9.833 1277 1HB MTX 170 HB1 MTX 170 137.438 3.178 11.265 1278 2HB MTX 170 HB2 MTX 170 135.715 3.512 11.196 1279 1HG MTX 170 HG1 MTX 170 136.134 5.823 12.091 1280 2HG MTX 170 HG2 MTX 170 137.864 5.495 12.140 1281 HN1 MTX 170 H1N MTX 170 128.825 0.833 8.708 No H/Q in entry = 1281 Start of MODEL 8 1 1H THR 1 HT2 THR 1 133.100 -8.525 -5.783 2 2H THR 1 HT1 THR 1 132.335 -9.089 -7.190 3 3H THR 1 HT3 THR 1 133.485 -7.846 -7.293 4 HA THR 1 HA THR 1 132.087 -6.270 -6.349 5 HB THR 1 HB THR 1 130.092 -8.004 -7.803 6 HG1 THR 1 HG1 THR 1 131.175 -7.781 -9.603 7 1HG2 THR 1 HG21 THR 1 130.668 -5.040 -7.613 8 2HG2 THR 1 HG23 THR 1 129.550 -5.728 -8.790 9 3HG2 THR 1 HG22 THR 1 129.226 -5.894 -7.065 10 H ALA 2 HN ALA 2 130.623 -5.743 -4.734 11 HA ALA 2 HA ALA 2 128.710 -7.644 -3.663 12 1HB ALA 2 HB1 ALA 2 131.185 -7.009 -2.026 13 2HB ALA 2 HB3 ALA 2 129.749 -7.822 -1.406 14 3HB ALA 2 HB2 ALA 2 130.729 -8.594 -2.652 15 H PHE 3 HN PHE 3 127.072 -6.441 -2.839 16 HA PHE 3 HA PHE 3 127.339 -3.555 -2.592 17 1HB PHE 3 HB2 PHE 3 125.136 -5.559 -2.231 18 2HB PHE 3 HB1 PHE 3 124.933 -3.948 -1.548 19 HD1 PHE 3 HD1 PHE 3 126.649 -5.033 -4.708 20 HD2 PHE 3 HD2 PHE 3 123.412 -2.832 -2.935 21 HE1 PHE 3 HE1 PHE 3 126.023 -4.154 -6.940 22 HE2 PHE 3 HE2 PHE 3 122.788 -1.954 -5.168 23 HZ PHE 3 HZ PHE 3 124.093 -2.614 -7.170 24 H LEU 4 HN LEU 4 126.889 -2.361 -0.581 25 HA LEU 4 HA LEU 4 126.975 -3.780 1.971 26 1HB LEU 4 HB2 LEU 4 129.369 -3.817 1.235 27 2HB LEU 4 HB1 LEU 4 129.344 -2.054 1.198 28 HG LEU 4 HG LEU 4 128.438 -2.314 3.662 29 1HD1 LEU 4 HD12 LEU 4 129.809 -4.952 3.093 30 2HD1 LEU 4 HD11 LEU 4 129.605 -4.315 4.725 31 3HD1 LEU 4 HD13 LEU 4 128.189 -4.696 3.744 32 1HD2 LEU 4 HD23 LEU 4 130.574 -1.248 3.020 33 2HD2 LEU 4 HD22 LEU 4 130.771 -2.227 4.474 34 3HD2 LEU 4 HD21 LEU 4 131.335 -2.835 2.918 35 H TRP 5 HN TRP 5 125.342 -2.589 2.882 36 HA TRP 5 HA TRP 5 125.844 0.273 3.338 37 1HB TRP 5 HB2 TRP 5 123.760 1.058 2.402 38 2HB TRP 5 HB1 TRP 5 124.599 0.147 1.152 39 HD1 TRP 5 HD1 TRP 5 121.347 0.430 2.810 40 HE1 TRP 5 HE1 TRP 5 119.838 -1.583 2.254 41 HE3 TRP 5 HE3 TRP 5 124.801 -2.735 0.761 42 HZ2 TRP 5 HZ2 TRP 5 120.059 -4.184 1.099 43 HZ3 TRP 5 HZ3 TRP 5 124.119 -4.973 -0.054 44 HH2 TRP 5 HH2 TRP 5 121.756 -5.700 0.111 45 H ALA 6 HN ALA 6 124.297 1.170 4.958 46 HA ALA 6 HA ALA 6 123.271 -0.998 6.746 47 1HB ALA 6 HB2 ALA 6 124.479 1.708 7.330 48 2HB ALA 6 HB1 ALA 6 123.504 0.859 8.529 49 3HB ALA 6 HB3 ALA 6 124.991 0.129 7.925 50 H GLN 7 HN GLN 7 121.115 -0.962 7.228 51 HA GLN 7 HA GLN 7 119.584 1.550 6.779 52 1HB GLN 7 HB2 GLN 7 117.809 0.225 5.605 53 2HB GLN 7 HB1 GLN 7 119.320 0.312 4.700 54 1HG GLN 7 HG2 GLN 7 119.787 -1.913 4.997 55 2HG GLN 7 HG1 GLN 7 119.040 -1.964 6.594 56 1HE2 GLN 7 HE22 GLN 7 116.392 -2.069 3.444 57 2HE2 GLN 7 HE21 GLN 7 117.687 -0.972 3.399 58 H ASP 8 HN ASP 8 117.297 1.282 7.685 59 HA ASP 8 HA ASP 8 117.420 -0.421 10.142 60 1HB ASP 8 HB2 ASP 8 115.767 1.254 11.077 61 2HB ASP 8 HB1 ASP 8 117.372 1.910 10.757 62 H ARG 9 HN ARG 9 114.867 -0.527 10.938 63 HA ARG 9 HA ARG 9 113.642 -2.411 9.187 64 1HB ARG 9 HB2 ARG 9 111.661 -2.197 10.663 65 2HB ARG 9 HB1 ARG 9 113.149 -2.350 11.594 66 1HG ARG 9 HG2 ARG 9 113.169 0.245 11.599 67 2HG ARG 9 HG1 ARG 9 111.478 0.114 11.121 68 1HD ARG 9 HD2 ARG 9 112.653 -1.260 13.552 69 2HD ARG 9 HD1 ARG 9 111.812 0.289 13.607 70 HE ARG 9 HE ARG 9 110.559 -2.309 13.375 71 1HH1 ARG 9 HH21 ARG 9 110.283 1.045 12.421 72 2HH1 ARG 9 HH22 ARG 9 108.568 0.953 12.228 73 1HH2 ARG 9 HH11 ARG 9 108.339 -2.381 13.117 74 2HH2 ARG 9 HH12 ARG 9 107.476 -0.965 12.618 75 H ASP 10 HN ASP 10 113.380 1.077 9.393 76 HA ASP 10 HA ASP 10 110.959 1.314 7.825 77 1HB ASP 10 HB2 ASP 10 113.190 3.259 8.466 78 2HB ASP 10 HB1 ASP 10 111.764 3.706 7.528 79 H GLY 11 HN GLY 11 114.421 1.765 7.016 80 1HA GLY 11 HA2 GLY 11 114.935 0.508 4.784 81 2HA GLY 11 HA1 GLY 11 113.683 1.564 4.134 82 H LEU 12 HN LEU 12 114.781 3.683 6.165 83 HA LEU 12 HA LEU 12 116.325 5.186 4.325 84 1HB LEU 12 HB2 LEU 12 115.158 6.076 6.376 85 2HB LEU 12 HB1 LEU 12 116.464 5.391 7.343 86 HG LEU 12 HG LEU 12 118.005 6.714 5.664 87 1HD1 LEU 12 HD12 LEU 12 115.377 8.225 5.522 88 2HD1 LEU 12 HD11 LEU 12 116.927 8.829 4.936 89 3HD1 LEU 12 HD13 LEU 12 116.183 7.422 4.175 90 1HD2 LEU 12 HD22 LEU 12 116.379 7.960 7.900 91 2HD2 LEU 12 HD21 LEU 12 117.960 7.191 8.035 92 3HD2 LEU 12 HD23 LEU 12 117.796 8.725 7.181 93 H ILE 13 HN ILE 13 118.541 5.394 3.999 94 HA ILE 13 HA ILE 13 120.251 3.368 5.383 95 HB ILE 13 HB ILE 13 121.710 3.534 3.354 96 1HG1 ILE 13 HG12 ILE 13 119.394 5.131 2.214 97 2HG1 ILE 13 HG11 ILE 13 120.925 5.842 2.724 98 1HG2 ILE 13 HG22 ILE 13 118.798 2.831 2.867 99 2HG2 ILE 13 HG21 ILE 13 120.147 2.316 1.854 100 3HG2 ILE 13 HG23 ILE 13 120.033 1.754 3.521 101 1HD1 ILE 13 HD13 ILE 13 122.037 4.135 1.144 102 2HD1 ILE 13 HD12 ILE 13 120.424 3.902 0.467 103 3HD1 ILE 13 HD11 ILE 13 121.190 5.490 0.396 104 H GLY 14 HN GLY 14 119.960 6.740 4.412 105 1HA GLY 14 HA2 GLY 14 122.032 7.461 6.383 106 2HA GLY 14 HA1 GLY 14 122.384 7.901 4.712 107 H LYS 15 HN LYS 15 122.323 10.136 5.708 108 HA LYS 15 HA LYS 15 119.706 11.340 5.184 109 1HB LYS 15 HB2 LYS 15 119.592 10.601 7.599 110 2HB LYS 15 HB1 LYS 15 120.934 11.697 7.933 111 1HG LYS 15 HG2 LYS 15 119.626 13.606 7.172 112 2HG LYS 15 HG1 LYS 15 118.302 12.545 6.688 113 1HD LYS 15 HD2 LYS 15 117.730 12.032 8.906 114 2HD LYS 15 HD1 LYS 15 119.310 12.515 9.524 115 1HE LYS 15 HE2 LYS 15 117.870 14.292 10.145 116 2HE LYS 15 HE1 LYS 15 118.703 14.885 8.709 117 1HZ LYS 15 HZ2 LYS 15 116.799 14.119 7.383 118 2HZ LYS 15 HZ1 LYS 15 115.989 13.685 8.813 119 3HZ LYS 15 HZ3 LYS 15 116.366 15.311 8.512 120 H ASP 16 HN ASP 16 120.368 12.951 3.854 121 HA ASP 16 HA ASP 16 121.563 14.791 3.031 122 1HB ASP 16 HB2 ASP 16 122.037 15.075 6.007 123 2HB ASP 16 HB1 ASP 16 122.612 16.259 4.834 124 H GLY 17 HN GLY 17 122.904 12.141 3.288 125 1HA GLY 17 HA2 GLY 17 125.075 11.577 2.399 126 2HA GLY 17 HA1 GLY 17 125.683 13.132 2.970 127 H HIS 18 HN HIS 18 124.813 13.071 5.627 128 HA HIS 18 HA HIS 18 126.678 11.060 6.737 129 1HB HIS 18 HB2 HIS 18 126.327 12.328 8.873 130 2HB HIS 18 HB1 HIS 18 126.930 13.336 7.557 131 HD1 HIS 18 HD1 HIS 18 123.708 12.512 9.385 132 HD2 HIS 18 HD2 HIS 18 125.224 15.427 6.818 133 HE1 HIS 18 HE1 HIS 18 121.967 14.348 9.278 134 H LEU 19 HN LEU 19 126.020 9.695 8.549 135 HA LEU 19 HA LEU 19 123.399 8.512 8.137 136 1HB LEU 19 HB2 LEU 19 125.415 8.009 10.349 137 2HB LEU 19 HB1 LEU 19 124.057 6.966 9.924 138 HG LEU 19 HG LEU 19 126.166 7.714 7.897 139 1HD1 LEU 19 HD12 LEU 19 126.156 5.407 9.865 140 2HD1 LEU 19 HD11 LEU 19 127.183 5.471 8.432 141 3HD1 LEU 19 HD13 LEU 19 127.381 6.667 9.712 142 1HD2 LEU 19 HD22 LEU 19 123.957 5.688 8.154 143 2HD2 LEU 19 HD21 LEU 19 124.330 6.757 6.802 144 3HD2 LEU 19 HD23 LEU 19 125.340 5.346 7.115 145 HA PRO 20 HA PRO 20 121.168 10.901 11.174 146 1HB PRO 20 HB2 PRO 20 119.084 9.080 11.554 147 2HB PRO 20 HB1 PRO 20 119.161 10.310 10.286 148 1HG PRO 20 HG2 PRO 20 119.341 7.450 10.025 149 2HG PRO 20 HG1 PRO 20 119.292 8.677 8.753 150 1HD PRO 20 HD2 PRO 20 121.574 7.178 9.738 151 2HD PRO 20 HD1 PRO 20 121.469 8.257 8.338 152 H TRP 21 HN TRP 21 121.665 7.436 11.815 153 HA TRP 21 HA TRP 21 121.513 7.964 14.740 154 1HB TRP 21 HB2 TRP 21 121.594 5.462 14.920 155 2HB TRP 21 HB1 TRP 21 120.220 6.048 13.983 156 HD1 TRP 21 HD1 TRP 21 123.721 4.527 13.495 157 HE1 TRP 21 HE1 TRP 21 123.786 3.354 11.200 158 HE3 TRP 21 HE3 TRP 21 119.129 5.851 11.697 159 HZ2 TRP 21 HZ2 TRP 21 122.111 3.020 8.906 160 HZ3 TRP 21 HZ3 TRP 21 118.389 5.092 9.457 161 HH2 TRP 21 HH2 TRP 21 119.873 3.680 8.060 162 H HIS 22 HN HIS 22 123.218 6.256 15.859 163 HA HIS 22 HA HIS 22 125.881 6.750 14.594 164 1HB HIS 22 HB2 HIS 22 125.333 8.354 16.498 165 2HB HIS 22 HB1 HIS 22 125.351 6.952 17.567 166 HD1 HIS 22 HD1 HIS 22 127.686 8.051 14.745 167 HD2 HIS 22 HD2 HIS 22 127.841 6.880 18.742 168 HE1 HIS 22 HE1 HIS 22 130.136 8.018 15.388 169 H LEU 23 HN LEU 23 126.535 4.708 14.078 170 HA LEU 23 HA LEU 23 126.276 2.603 16.189 171 1HB LEU 23 HB2 LEU 23 125.028 2.512 13.775 172 2HB LEU 23 HB1 LEU 23 126.558 1.735 13.367 173 HG LEU 23 HG LEU 23 126.248 0.218 15.342 174 1HD1 LEU 23 HD13 LEU 23 123.674 1.783 15.491 175 2HD1 LEU 23 HD12 LEU 23 123.767 0.136 16.116 176 3HD1 LEU 23 HD11 LEU 23 124.805 1.394 16.788 177 1HD2 LEU 23 HD21 LEU 23 124.503 0.312 12.938 178 2HD2 LEU 23 HD23 LEU 23 125.584 -0.966 13.495 179 3HD2 LEU 23 HD22 LEU 23 123.984 -0.786 14.216 180 HA PRO 24 HA PRO 24 130.796 3.153 15.554 181 1HB PRO 24 HB2 PRO 24 131.291 2.109 18.147 182 2HB PRO 24 HB1 PRO 24 131.340 3.803 17.648 183 1HG PRO 24 HG2 PRO 24 129.446 2.544 19.354 184 2HG PRO 24 HG1 PRO 24 129.462 4.223 18.798 185 1HD PRO 24 HD2 PRO 24 127.764 2.025 17.925 186 2HD PRO 24 HD1 PRO 24 127.611 3.755 17.590 187 H ASP 25 HN ASP 25 128.922 0.407 16.691 188 HA ASP 25 HA ASP 25 131.031 -1.558 16.477 189 1HB ASP 25 HB2 ASP 25 128.902 -1.889 17.766 190 2HB ASP 25 HB1 ASP 25 128.038 -1.987 16.231 191 H ASP 26 HN ASP 26 128.727 -0.150 14.225 192 HA ASP 26 HA ASP 26 129.170 -2.090 12.109 193 1HB ASP 26 HB2 ASP 26 127.166 -0.504 12.369 194 2HB ASP 26 HB1 ASP 26 128.223 0.757 11.735 195 H LEU 27 HN LEU 27 130.704 0.901 13.128 196 HA LEU 27 HA LEU 27 132.153 1.523 10.761 197 1HB LEU 27 HB2 LEU 27 132.558 2.058 13.684 198 2HB LEU 27 HB1 LEU 27 133.862 2.433 12.558 199 HG LEU 27 HG LEU 27 131.034 3.363 12.060 200 1HD1 LEU 27 HD12 LEU 27 132.050 4.117 14.326 201 2HD1 LEU 27 HD11 LEU 27 133.165 5.069 13.345 202 3HD1 LEU 27 HD13 LEU 27 131.429 5.366 13.246 203 1HD2 LEU 27 HD21 LEU 27 133.053 3.328 10.352 204 2HD2 LEU 27 HD23 LEU 27 131.997 4.737 10.442 205 3HD2 LEU 27 HD22 LEU 27 133.565 4.758 11.247 206 H HIS 28 HN HIS 28 132.745 -0.843 13.299 207 HA HIS 28 HA HIS 28 135.461 -1.461 12.517 208 1HB HIS 28 HB2 HIS 28 133.463 -3.208 13.986 209 2HB HIS 28 HB1 HIS 28 135.215 -3.412 13.964 210 HD1 HIS 28 HD1 HIS 28 136.233 -0.626 14.473 211 HD2 HIS 28 HD2 HIS 28 132.936 -2.178 16.499 212 HE1 HIS 28 HE1 HIS 28 136.007 0.717 16.608 213 H TYR 29 HN TYR 29 132.280 -2.563 11.507 214 HA TYR 29 HA TYR 29 133.293 -4.842 9.989 215 1HB TYR 29 HB2 TYR 29 130.867 -4.322 10.974 216 2HB TYR 29 HB1 TYR 29 130.642 -3.602 9.380 217 HD1 TYR 29 HD2 TYR 29 131.717 -6.730 11.109 218 HD2 TYR 29 HD1 TYR 29 130.280 -4.954 7.471 219 HE1 TYR 29 HE2 TYR 29 131.402 -8.987 10.133 220 HE2 TYR 29 HE1 TYR 29 129.965 -7.212 6.495 221 HH TYR 29 HH TYR 29 129.620 -9.819 7.966 222 H PHE 30 HN PHE 30 132.284 -1.515 9.262 223 HA PHE 30 HA PHE 30 132.408 -1.653 6.428 224 1HB PHE 30 HB2 PHE 30 131.512 0.267 7.799 225 2HB PHE 30 HB1 PHE 30 133.182 0.730 8.131 226 HD1 PHE 30 HD2 PHE 30 130.900 -0.081 5.267 227 HD2 PHE 30 HD1 PHE 30 134.294 2.160 6.651 228 HE1 PHE 30 HE2 PHE 30 131.007 1.103 3.090 229 HE2 PHE 30 HE1 PHE 30 134.400 3.343 4.475 230 HZ PHE 30 HZ PHE 30 132.756 2.816 2.694 231 H ARG 31 HN ARG 31 134.953 -1.436 8.831 232 HA ARG 31 HA ARG 31 137.032 -0.679 6.929 233 1HB ARG 31 HB2 ARG 31 137.024 -0.303 9.483 234 2HB ARG 31 HB1 ARG 31 137.499 -1.996 9.603 235 1HG ARG 31 HG2 ARG 31 139.343 -1.389 7.889 236 2HG ARG 31 HG1 ARG 31 138.994 0.286 8.318 237 1HD ARG 31 HD2 ARG 31 140.736 -0.340 9.795 238 2HD ARG 31 HD1 ARG 31 139.271 -0.481 10.767 239 HE ARG 31 HE ARG 31 139.639 -3.007 9.632 240 1HH1 ARG 31 HH21 ARG 31 141.478 -0.858 11.689 241 2HH1 ARG 31 HH22 ARG 31 142.294 -2.158 12.486 242 1HH2 ARG 31 HH11 ARG 31 140.718 -4.656 10.688 243 2HH2 ARG 31 HH12 ARG 31 141.870 -4.286 11.928 244 H ALA 32 HN ALA 32 135.651 -3.677 8.114 245 HA ALA 32 HA ALA 32 137.810 -5.399 7.262 246 1HB ALA 32 HB3 ALA 32 135.002 -5.746 8.186 247 2HB ALA 32 HB2 ALA 32 135.686 -7.058 7.226 248 3HB ALA 32 HB1 ALA 32 136.472 -6.558 8.724 249 H GLN 33 HN GLN 33 134.804 -4.271 5.737 250 HA GLN 33 HA GLN 33 135.476 -5.758 3.263 251 1HB GLN 33 HB2 GLN 33 133.080 -4.003 3.886 252 2HB GLN 33 HB1 GLN 33 133.261 -5.067 2.490 253 1HG GLN 33 HG2 GLN 33 132.074 -6.476 3.885 254 2HG GLN 33 HG1 GLN 33 133.714 -6.881 4.391 255 1HE2 GLN 33 HE22 GLN 33 132.989 -5.960 7.698 256 2HE2 GLN 33 HE21 GLN 33 133.779 -7.018 6.632 257 H THR 34 HN THR 34 137.320 -3.730 3.885 258 HA THR 34 HA THR 34 136.971 -1.984 1.530 259 HB THR 34 HB THR 34 137.674 0.023 2.953 260 HG1 THR 34 HG1 THR 34 136.673 -1.630 5.022 261 1HG2 THR 34 HG23 THR 34 134.972 -1.260 3.443 262 2HG2 THR 34 HG22 THR 34 135.350 0.442 3.710 263 3HG2 THR 34 HG21 THR 34 135.398 -0.226 2.078 264 H VAL 35 HN VAL 35 139.064 -2.535 4.386 265 HA VAL 35 HA VAL 35 141.496 -1.762 3.109 266 HB VAL 35 HB VAL 35 142.605 -3.041 4.936 267 1HG1 VAL 35 HG13 VAL 35 140.315 -1.171 5.485 268 2HG1 VAL 35 HG12 VAL 35 141.243 -1.843 6.827 269 3HG1 VAL 35 HG11 VAL 35 142.048 -0.868 5.599 270 1HG2 VAL 35 HG22 VAL 35 139.877 -4.207 5.091 271 2HG2 VAL 35 HG21 VAL 35 141.433 -4.928 5.499 272 3HG2 VAL 35 HG23 VAL 35 140.639 -3.841 6.638 273 H GLY 36 HN GLY 36 142.394 -2.724 1.369 274 1HA GLY 36 HA2 GLY 36 143.537 -4.621 0.371 275 2HA GLY 36 HA1 GLY 36 142.458 -5.697 1.260 276 H LYS 37 HN LYS 37 140.091 -3.991 0.505 277 HA LYS 37 HA LYS 37 139.773 -5.085 -2.251 278 1HB LYS 37 HB2 LYS 37 137.855 -4.481 -0.013 279 2HB LYS 37 HB1 LYS 37 137.273 -4.570 -1.676 280 1HG LYS 37 HG2 LYS 37 138.457 -6.828 -1.827 281 2HG LYS 37 HG1 LYS 37 138.642 -6.739 -0.075 282 1HD LYS 37 HD2 LYS 37 135.928 -6.254 -1.241 283 2HD LYS 37 HD1 LYS 37 136.520 -7.914 -1.153 284 1HE LYS 37 HE2 LYS 37 136.602 -6.057 1.229 285 2HE LYS 37 HE1 LYS 37 135.200 -7.067 0.877 286 1HZ LYS 37 HZ2 LYS 37 136.808 -8.979 0.795 287 2HZ LYS 37 HZ1 LYS 37 137.967 -7.937 1.472 288 3HZ LYS 37 HZ3 LYS 37 136.550 -8.300 2.331 289 H ILE 38 HN ILE 38 137.934 -3.644 -3.427 290 HA ILE 38 HA ILE 38 139.085 -0.904 -3.524 291 HB ILE 38 HB ILE 38 137.166 -2.250 -5.450 292 1HG1 ILE 38 HG12 ILE 38 140.138 -1.837 -5.828 293 2HG1 ILE 38 HG11 ILE 38 139.485 -3.325 -5.141 294 1HG2 ILE 38 HG23 ILE 38 138.893 0.236 -5.649 295 2HG2 ILE 38 HG22 ILE 38 137.977 -0.459 -6.986 296 3HG2 ILE 38 HG21 ILE 38 137.131 0.190 -5.581 297 1HD1 ILE 38 HD11 ILE 38 138.517 -2.202 -7.775 298 2HD1 ILE 38 HD13 ILE 38 139.863 -3.335 -7.669 299 3HD1 ILE 38 HD12 ILE 38 138.258 -3.820 -7.126 300 H MET 39 HN MET 39 137.952 0.787 -2.707 301 HA MET 39 HA MET 39 135.160 0.303 -1.807 302 1HB MET 39 HB2 MET 39 137.071 1.306 -0.334 303 2HB MET 39 HB1 MET 39 136.749 2.793 -1.224 304 1HG MET 39 HG2 MET 39 134.267 2.385 -0.619 305 2HG MET 39 HG1 MET 39 134.888 1.247 0.576 306 1HE MET 39 HE3 MET 39 135.429 4.362 -1.123 307 2HE MET 39 HE2 MET 39 134.943 5.583 0.050 308 3HE MET 39 HE1 MET 39 136.649 5.185 -0.139 309 H VAL 40 HN VAL 40 133.839 0.666 -3.572 310 HA VAL 40 HA VAL 40 134.312 3.029 -5.290 311 HB VAL 40 HB VAL 40 132.098 0.961 -5.444 312 1HG1 VAL 40 HG13 VAL 40 131.838 3.215 -6.618 313 2HG1 VAL 40 HG12 VAL 40 133.217 2.749 -7.614 314 3HG1 VAL 40 HG11 VAL 40 131.735 1.793 -7.657 315 1HG2 VAL 40 HG21 VAL 40 134.866 1.060 -6.668 316 2HG2 VAL 40 HG23 VAL 40 134.160 -0.231 -5.696 317 3HG2 VAL 40 HG22 VAL 40 133.572 0.063 -7.333 318 H VAL 41 HN VAL 41 133.302 4.933 -4.903 319 HA VAL 41 HA VAL 41 130.635 4.954 -3.618 320 HB VAL 41 HB VAL 41 131.398 6.702 -1.989 321 1HG1 VAL 41 HG13 VAL 41 131.284 4.138 -1.564 322 2HG1 VAL 41 HG12 VAL 41 133.046 4.207 -1.608 323 3HG1 VAL 41 HG11 VAL 41 132.156 5.137 -0.402 324 1HG2 VAL 41 HG23 VAL 41 133.510 7.144 -3.454 325 2HG2 VAL 41 HG22 VAL 41 133.679 7.213 -1.700 326 3HG2 VAL 41 HG21 VAL 41 134.206 5.779 -2.581 327 H GLY 42 HN GLY 42 129.698 7.211 -3.690 328 1HA GLY 42 HA2 GLY 42 130.439 8.473 -6.264 329 2HA GLY 42 HA1 GLY 42 128.960 8.781 -5.352 330 H ARG 43 HN ARG 43 129.619 11.090 -5.812 331 HA ARG 43 HA ARG 43 131.925 12.150 -4.355 332 1HB ARG 43 HB2 ARG 43 129.682 13.360 -5.965 333 2HB ARG 43 HB1 ARG 43 130.748 14.382 -5.001 334 1HG ARG 43 HG2 ARG 43 132.709 13.437 -6.169 335 2HG ARG 43 HG1 ARG 43 131.639 12.430 -7.144 336 1HD ARG 43 HD2 ARG 43 131.513 15.459 -7.069 337 2HD ARG 43 HD1 ARG 43 132.357 14.533 -8.304 338 HE ARG 43 HE ARG 43 130.263 13.836 -9.197 339 1HH1 ARG 43 HH21 ARG 43 129.831 15.662 -6.234 340 2HH1 ARG 43 HH22 ARG 43 128.135 15.848 -6.492 341 1HH2 ARG 43 HH11 ARG 43 128.070 14.110 -9.473 342 2HH2 ARG 43 HH12 ARG 43 127.147 14.984 -8.296 343 H ARG 44 HN ARG 44 128.402 12.061 -3.924 344 HA ARG 44 HA ARG 44 128.277 13.759 -1.628 345 1HB ARG 44 HB2 ARG 44 126.516 11.711 -2.885 346 2HB ARG 44 HB1 ARG 44 126.190 12.116 -1.199 347 1HG ARG 44 HG2 ARG 44 126.347 14.585 -1.987 348 2HG ARG 44 HG1 ARG 44 126.139 13.924 -3.609 349 1HD ARG 44 HD2 ARG 44 124.254 12.923 -1.543 350 2HD ARG 44 HD1 ARG 44 124.056 14.608 -2.024 351 HE ARG 44 HE ARG 44 124.261 13.264 -4.433 352 1HH1 ARG 44 HH21 ARG 44 122.241 12.927 -1.598 353 2HH1 ARG 44 HH22 ARG 44 120.908 12.294 -2.498 354 1HH2 ARG 44 HH11 ARG 44 122.512 12.441 -5.560 355 2HH2 ARG 44 HH12 ARG 44 121.058 12.020 -4.718 356 H THR 45 HN THR 45 128.925 10.303 -2.002 357 HA THR 45 HA THR 45 128.921 9.807 0.882 358 HB THR 45 HB THR 45 130.098 8.045 -1.280 359 HG1 THR 45 HG1 THR 45 128.038 8.400 -1.921 360 1HG2 THR 45 HG22 THR 45 130.586 7.445 1.071 361 2HG2 THR 45 HG21 THR 45 128.858 7.444 1.420 362 3HG2 THR 45 HG23 THR 45 129.533 6.255 0.305 363 H TYR 46 HN TYR 46 131.294 10.559 -1.608 364 HA TYR 46 HA TYR 46 133.656 9.881 -0.146 365 1HB TYR 46 HB2 TYR 46 133.479 10.495 -2.620 366 2HB TYR 46 HB1 TYR 46 133.412 12.179 -2.101 367 HD1 TYR 46 HD2 TYR 46 135.457 9.065 -1.715 368 HD2 TYR 46 HD1 TYR 46 135.398 13.360 -1.687 369 HE1 TYR 46 HE2 TYR 46 137.928 9.098 -1.503 370 HE2 TYR 46 HE1 TYR 46 137.869 13.392 -1.476 371 HH TYR 46 HH TYR 46 139.804 11.313 -2.242 372 H GLU 47 HN GLU 47 131.730 12.866 -0.290 373 HA GLU 47 HA GLU 47 133.487 14.383 1.436 374 1HB GLU 47 HB2 GLU 47 130.546 14.778 0.805 375 2HB GLU 47 HB1 GLU 47 131.594 15.968 1.577 376 1HG GLU 47 HG2 GLU 47 132.412 14.783 -1.057 377 2HG GLU 47 HG1 GLU 47 131.205 16.070 -1.025 378 H SER 48 HN SER 48 130.930 12.067 1.992 379 HA SER 48 HA SER 48 130.205 12.810 4.652 380 1HB SER 48 HB2 SER 48 130.210 10.129 3.245 381 2HB SER 48 HB1 SER 48 129.543 10.372 4.856 382 HG SER 48 HG SER 48 127.828 10.815 3.669 383 H PHE 49 HN PHE 49 132.958 11.048 3.362 384 HA PHE 49 HA PHE 49 133.841 9.841 5.806 385 1HB PHE 49 HB2 PHE 49 135.497 10.791 3.448 386 2HB PHE 49 HB1 PHE 49 136.032 9.661 4.692 387 HD1 PHE 49 HD1 PHE 49 133.952 7.800 5.123 388 HD2 PHE 49 HD2 PHE 49 135.053 9.713 1.437 389 HE1 PHE 49 HE1 PHE 49 132.951 5.922 3.848 390 HE2 PHE 49 HE2 PHE 49 134.050 7.837 0.164 391 HZ PHE 49 HZ PHE 49 133.001 5.941 1.369 392 HA PRO 50 HA PRO 50 135.575 13.344 7.951 393 1HB PRO 50 HB2 PRO 50 137.473 11.967 9.455 394 2HB PRO 50 HB1 PRO 50 135.762 12.136 9.872 395 1HG PRO 50 HG2 PRO 50 137.182 9.768 9.067 396 2HG PRO 50 HG1 PRO 50 135.498 9.924 9.586 397 1HD PRO 50 HD2 PRO 50 136.557 9.623 6.888 398 2HD PRO 50 HD1 PRO 50 134.882 9.512 7.450 399 H LYS 51 HN LYS 51 138.200 11.027 7.181 400 HA LYS 51 HA LYS 51 139.836 13.347 6.241 401 1HB LYS 51 HB2 LYS 51 140.670 11.914 8.194 402 2HB LYS 51 HB1 LYS 51 140.877 10.615 7.020 403 1HG LYS 51 HG2 LYS 51 142.016 13.248 6.253 404 2HG LYS 51 HG1 LYS 51 142.821 12.416 7.584 405 1HD LYS 51 HD2 LYS 51 143.430 10.598 6.262 406 2HD LYS 51 HD1 LYS 51 142.129 10.875 5.104 407 1HE LYS 51 HE2 LYS 51 143.988 11.629 3.909 408 2HE LYS 51 HE1 LYS 51 143.398 13.125 4.634 409 1HZ LYS 51 HZ1 LYS 51 144.962 12.709 6.495 410 2HZ LYS 51 HZ3 LYS 51 145.609 11.409 5.617 411 3HZ LYS 51 HZ2 LYS 51 145.728 12.990 5.004 412 H ARG 52 HN ARG 52 139.779 13.472 4.049 413 HA ARG 52 HA ARG 52 139.623 10.933 2.488 414 1HB ARG 52 HB2 ARG 52 138.975 13.792 1.708 415 2HB ARG 52 HB1 ARG 52 138.898 12.417 0.607 416 1HG ARG 52 HG2 ARG 52 136.883 11.786 1.403 417 2HG ARG 52 HG1 ARG 52 137.448 11.859 3.072 418 1HD ARG 52 HD2 ARG 52 135.560 13.451 2.548 419 2HD ARG 52 HD1 ARG 52 137.004 14.229 3.194 420 HE ARG 52 HE ARG 52 136.982 14.145 0.283 421 1HH1 ARG 52 HH21 ARG 52 135.879 15.888 3.108 422 2HH1 ARG 52 HH22 ARG 52 135.731 17.383 2.253 423 1HH2 ARG 52 HH11 ARG 52 136.774 16.101 -0.785 424 2HH2 ARG 52 HH12 ARG 52 136.231 17.504 0.072 425 HA PRO 53 HA PRO 53 140.025 10.131 0.573 426 1HB PRO 53 HB2 PRO 53 142.027 8.459 -0.438 427 2HB PRO 53 HB1 PRO 53 141.107 9.648 -1.370 428 1HG PRO 53 HG2 PRO 53 143.887 9.702 -0.696 429 2HG PRO 53 HG1 PRO 53 142.964 10.879 -1.641 430 1HD PRO 53 HD2 PRO 53 143.853 11.040 1.146 431 2HD PRO 53 HD1 PRO 53 143.265 12.327 0.081 432 H LEU 54 HN LEU 54 140.121 7.623 0.972 433 HA LEU 54 HA LEU 54 140.944 7.241 3.773 434 1HB LEU 54 HB2 LEU 54 139.346 5.556 1.835 435 2HB LEU 54 HB1 LEU 54 139.759 5.016 3.462 436 HG LEU 54 HG LEU 54 138.282 7.590 2.845 437 1HD1 LEU 54 HD12 LEU 54 136.989 5.515 2.282 438 2HD1 LEU 54 HD11 LEU 54 137.198 4.982 3.950 439 3HD1 LEU 54 HD13 LEU 54 136.276 6.444 3.599 440 1HD2 LEU 54 HD23 LEU 54 139.063 6.135 5.378 441 2HD2 LEU 54 HD22 LEU 54 139.391 7.812 4.938 442 3HD2 LEU 54 HD21 LEU 54 137.751 7.313 5.353 443 HA PRO 55 HA PRO 55 144.681 5.173 2.226 444 1HB PRO 55 HB2 PRO 55 145.840 5.027 4.768 445 2HB PRO 55 HB1 PRO 55 146.065 6.335 3.600 446 1HG PRO 55 HG2 PRO 55 144.688 6.416 6.111 447 2HG PRO 55 HG1 PRO 55 144.958 7.733 4.961 448 1HD PRO 55 HD2 PRO 55 142.532 6.181 5.435 449 2HD PRO 55 HD1 PRO 55 142.739 7.681 4.517 450 H GLU 56 HN GLU 56 145.961 3.171 3.184 451 HA GLU 56 HA GLU 56 145.905 0.900 3.751 452 1HB GLU 56 HB2 GLU 56 145.040 2.063 5.944 453 2HB GLU 56 HB1 GLU 56 143.482 1.392 5.461 454 1HG GLU 56 HG2 GLU 56 144.288 -0.837 5.553 455 2HG GLU 56 HG1 GLU 56 145.972 -0.313 5.574 456 H ARG 57 HN ARG 57 144.180 2.042 1.546 457 HA ARG 57 HA ARG 57 142.910 -0.369 0.727 458 1HB ARG 57 HB2 ARG 57 140.523 0.341 0.900 459 2HB ARG 57 HB1 ARG 57 141.269 0.096 2.478 460 1HG ARG 57 HG2 ARG 57 141.832 2.664 2.281 461 2HG ARG 57 HG1 ARG 57 140.494 2.662 1.133 462 1HD ARG 57 HD2 ARG 57 139.256 2.987 3.034 463 2HD ARG 57 HD1 ARG 57 139.365 1.229 3.124 464 HE ARG 57 HE ARG 57 141.648 2.232 4.431 465 1HH1 ARG 57 HH11 ARG 57 138.173 2.375 4.803 466 2HH1 ARG 57 HH12 ARG 57 138.265 2.553 6.520 467 1HH2 ARG 57 HH21 ARG 57 141.719 2.465 6.655 468 2HH2 ARG 57 HH22 ARG 57 140.249 2.603 7.559 469 H THR 58 HN THR 58 141.237 0.231 -1.150 470 HA THR 58 HA THR 58 142.561 2.382 -2.737 471 HB THR 58 HB THR 58 140.698 0.283 -3.846 472 HG1 THR 58 HG1 THR 58 142.267 -0.868 -2.782 473 1HG2 THR 58 HG23 THR 58 142.788 2.165 -4.888 474 2HG2 THR 58 HG22 THR 58 142.459 0.670 -5.763 475 3HG2 THR 58 HG21 THR 58 141.169 1.845 -5.506 476 H ASN 59 HN ASN 59 141.250 3.922 -3.850 477 HA ASN 59 HA ASN 59 138.389 4.015 -2.985 478 1HB ASN 59 HB2 ASN 59 140.367 6.310 -3.132 479 2HB ASN 59 HB1 ASN 59 138.636 6.501 -2.852 480 1HD2 ASN 59 HD22 ASN 59 140.975 4.916 0.133 481 2HD2 ASN 59 HD21 ASN 59 141.547 4.908 -1.466 482 H VAL 60 HN VAL 60 136.962 4.414 -4.627 483 HA VAL 60 HA VAL 60 138.053 5.419 -7.220 484 HB VAL 60 HB VAL 60 136.027 3.180 -6.926 485 1HG1 VAL 60 HG11 VAL 60 137.393 4.517 -9.268 486 2HG1 VAL 60 HG13 VAL 60 136.667 2.915 -9.401 487 3HG1 VAL 60 HG12 VAL 60 135.664 4.308 -8.991 488 1HG2 VAL 60 HG23 VAL 60 138.987 3.123 -7.595 489 2HG2 VAL 60 HG22 VAL 60 138.210 2.393 -6.190 490 3HG2 VAL 60 HG21 VAL 60 137.896 1.752 -7.803 491 H VAL 61 HN VAL 61 137.099 7.422 -7.246 492 HA VAL 61 HA VAL 61 134.314 7.763 -6.339 493 HB VAL 61 HB VAL 61 136.188 9.796 -7.585 494 1HG1 VAL 61 HG11 VAL 61 133.740 10.337 -7.571 495 2HG1 VAL 61 HG13 VAL 61 133.749 10.150 -5.817 496 3HG1 VAL 61 HG12 VAL 61 134.698 11.431 -6.572 497 1HG2 VAL 61 HG23 VAL 61 135.787 8.872 -4.737 498 2HG2 VAL 61 HG22 VAL 61 137.299 9.066 -5.622 499 3HG2 VAL 61 HG21 VAL 61 136.395 10.487 -5.100 500 H LEU 62 HN LEU 62 132.606 7.644 -7.708 501 HA LEU 62 HA LEU 62 133.164 7.692 -10.644 502 1HB LEU 62 HB2 LEU 62 132.134 5.611 -9.661 503 2HB LEU 62 HB1 LEU 62 130.725 6.581 -9.228 504 HG LEU 62 HG LEU 62 130.559 7.254 -11.663 505 1HD1 LEU 62 HD11 LEU 62 132.786 5.229 -11.796 506 2HD1 LEU 62 HD13 LEU 62 131.720 5.484 -13.178 507 3HD1 LEU 62 HD12 LEU 62 132.692 6.817 -12.556 508 1HD2 LEU 62 HD23 LEU 62 129.159 5.462 -10.631 509 2HD2 LEU 62 HD22 LEU 62 129.493 5.154 -12.335 510 3HD2 LEU 62 HD21 LEU 62 130.382 4.277 -11.089 511 H THR 63 HN THR 63 132.905 9.837 -11.207 512 HA THR 63 HA THR 63 130.249 11.059 -10.575 513 HB THR 63 HB THR 63 131.937 12.207 -9.245 514 HG1 THR 63 HG1 THR 63 131.390 13.756 -11.552 515 1HG2 THR 63 HG22 THR 63 133.405 12.340 -11.880 516 2HG2 THR 63 HG21 THR 63 133.795 13.412 -10.537 517 3HG2 THR 63 HG23 THR 63 133.971 11.668 -10.351 518 H HIS 64 HN HIS 64 129.538 12.634 -12.227 519 HA HIS 64 HA HIS 64 130.446 11.797 -14.932 520 1HB HIS 64 HB2 HIS 64 127.952 11.885 -14.075 521 2HB HIS 64 HB1 HIS 64 128.097 13.604 -14.446 522 HD1 HIS 64 HD1 HIS 64 127.529 14.186 -16.796 523 HD2 HIS 64 HD2 HIS 64 128.891 10.259 -16.487 524 HE1 HIS 64 HE1 HIS 64 127.387 13.193 -19.122 525 H GLN 65 HN GLN 65 132.121 13.562 -13.399 526 HA GLN 65 HA GLN 65 131.997 15.974 -15.154 527 1HB GLN 65 HB2 GLN 65 131.188 16.425 -12.776 528 2HB GLN 65 HB1 GLN 65 132.831 16.068 -12.245 529 1HG GLN 65 HG2 GLN 65 132.884 18.397 -12.531 530 2HG GLN 65 HG1 GLN 65 133.536 17.807 -14.061 531 1HE2 GLN 65 HE22 GLN 65 131.099 19.872 -15.601 532 2HE2 GLN 65 HE21 GLN 65 132.753 19.625 -15.314 533 H GLU 66 HN GLU 66 133.973 16.549 -16.009 534 HA GLU 66 HA GLU 66 136.281 14.804 -15.298 535 1HB GLU 66 HB2 GLU 66 135.671 16.519 -17.718 536 2HB GLU 66 HB1 GLU 66 137.236 15.747 -17.459 537 1HG GLU 66 HG2 GLU 66 136.162 13.543 -17.375 538 2HG GLU 66 HG1 GLU 66 134.578 14.293 -17.576 539 H ASP 67 HN ASP 67 135.487 17.047 -13.605 540 HA ASP 67 HA ASP 67 138.040 18.565 -13.718 541 1HB ASP 67 HB2 ASP 67 135.294 19.826 -13.445 542 2HB ASP 67 HB1 ASP 67 136.824 20.681 -13.247 543 H TYR 68 HN TYR 68 137.068 16.391 -12.015 544 HA TYR 68 HA TYR 68 136.480 17.700 -9.427 545 1HB TYR 68 HB2 TYR 68 135.348 15.553 -10.168 546 2HB TYR 68 HB1 TYR 68 136.908 14.752 -9.973 547 HD1 TYR 68 HD1 TYR 68 134.820 17.214 -8.045 548 HD2 TYR 68 HD2 TYR 68 137.205 13.644 -7.954 549 HE1 TYR 68 HE1 TYR 68 134.409 17.002 -5.608 550 HE2 TYR 68 HE2 TYR 68 136.794 13.430 -5.518 551 HH TYR 68 HH TYR 68 134.834 14.284 -3.904 552 H GLN 69 HN GLN 69 137.905 17.568 -7.632 553 HA GLN 69 HA GLN 69 140.739 16.959 -8.367 554 1HB GLN 69 HB2 GLN 69 139.567 18.855 -6.312 555 2HB GLN 69 HB1 GLN 69 141.288 18.486 -6.432 556 1HG GLN 69 HG2 GLN 69 141.285 19.276 -8.780 557 2HG GLN 69 HG1 GLN 69 139.574 19.681 -8.631 558 1HE2 GLN 69 HE22 GLN 69 140.395 22.290 -6.111 559 2HE2 GLN 69 HE21 GLN 69 139.404 20.913 -6.162 560 H ALA 70 HN ALA 70 141.266 14.964 -7.612 561 HA ALA 70 HA ALA 70 140.684 14.354 -4.761 562 1HB ALA 70 HB1 ALA 70 138.945 13.275 -6.272 563 2HB ALA 70 HB3 ALA 70 140.257 12.317 -6.960 564 3HB ALA 70 HB2 ALA 70 139.850 12.157 -5.251 565 H GLN 71 HN GLN 71 142.930 14.697 -4.371 566 HA GLN 71 HA GLN 71 144.929 13.182 -5.893 567 1HB GLN 71 HB2 GLN 71 144.987 15.131 -3.611 568 2HB GLN 71 HB1 GLN 71 146.396 14.112 -3.904 569 1HG GLN 71 HG2 GLN 71 146.655 14.956 -6.133 570 2HG GLN 71 HG1 GLN 71 145.086 15.761 -6.077 571 1HE2 GLN 71 HE22 GLN 71 146.667 18.714 -5.005 572 2HE2 GLN 71 HE21 GLN 71 145.560 17.975 -6.059 573 H GLY 72 HN GLY 72 145.549 11.138 -5.403 574 1HA GLY 72 HA2 GLY 72 146.295 9.447 -3.816 575 2HA GLY 72 HA1 GLY 72 145.237 10.169 -2.602 576 H ALA 73 HN ALA 73 142.926 10.413 -4.323 577 HA ALA 73 HA ALA 73 142.011 7.608 -4.201 578 1HB ALA 73 HB3 ALA 73 140.562 10.211 -4.763 579 2HB ALA 73 HB2 ALA 73 139.776 8.633 -4.731 580 3HB ALA 73 HB1 ALA 73 140.519 9.277 -3.267 581 H VAL 74 HN VAL 74 140.363 7.112 -6.140 582 HA VAL 74 HA VAL 74 141.879 7.648 -8.663 583 HB VAL 74 HB VAL 74 140.055 5.305 -8.040 584 1HG1 VAL 74 HG13 VAL 74 140.493 6.111 -10.468 585 2HG1 VAL 74 HG12 VAL 74 142.132 5.509 -10.217 586 3HG1 VAL 74 HG11 VAL 74 140.760 4.405 -10.105 587 1HG2 VAL 74 HG23 VAL 74 143.071 5.592 -7.935 588 2HG2 VAL 74 HG22 VAL 74 141.996 5.147 -6.610 589 3HG2 VAL 74 HG21 VAL 74 142.243 4.035 -7.958 590 H VAL 75 HN VAL 75 140.824 9.040 -9.979 591 HA VAL 75 HA VAL 75 137.887 9.359 -9.704 592 HB VAL 75 HB VAL 75 139.841 10.964 -11.378 593 1HG1 VAL 75 HG12 VAL 75 137.467 11.119 -12.061 594 2HG1 VAL 75 HG11 VAL 75 137.026 11.551 -10.408 595 3HG1 VAL 75 HG13 VAL 75 138.033 12.637 -11.366 596 1HG2 VAL 75 HG22 VAL 75 140.320 10.992 -8.902 597 2HG2 VAL 75 HG21 VAL 75 139.872 12.567 -9.559 598 3HG2 VAL 75 HG23 VAL 75 138.692 11.622 -8.649 599 H VAL 76 HN VAL 76 136.778 7.898 -10.926 600 HA VAL 76 HA VAL 76 137.822 7.219 -13.635 601 HB VAL 76 HB VAL 76 136.158 5.345 -13.520 602 1HG1 VAL 76 HG13 VAL 76 138.196 5.615 -11.294 603 2HG1 VAL 76 HG12 VAL 76 137.378 4.101 -11.683 604 3HG1 VAL 76 HG11 VAL 76 138.431 4.867 -12.874 605 1HG2 VAL 76 HG23 VAL 76 134.703 6.640 -11.840 606 2HG2 VAL 76 HG22 VAL 76 134.930 4.922 -11.520 607 3HG2 VAL 76 HG21 VAL 76 135.854 6.118 -10.611 608 H HIS 77 HN HIS 77 135.947 6.830 -15.270 609 HA HIS 77 HA HIS 77 133.654 8.658 -14.884 610 1HB HIS 77 HB2 HIS 77 135.594 8.975 -17.194 611 2HB HIS 77 HB1 HIS 77 134.118 9.906 -16.941 612 HD1 HIS 77 HD1 HIS 77 134.082 11.223 -14.500 613 HD2 HIS 77 HD2 HIS 77 137.808 10.151 -16.031 614 HE1 HIS 77 HE1 HIS 77 135.791 12.640 -13.281 615 H ASP 78 HN ASP 78 133.972 5.765 -15.193 616 HA ASP 78 HA ASP 78 131.915 5.284 -17.143 617 1HB ASP 78 HB2 ASP 78 134.011 5.661 -18.586 618 2HB ASP 78 HB1 ASP 78 134.599 4.135 -17.926 619 H VAL 79 HN VAL 79 130.949 3.338 -16.660 620 HA VAL 79 HA VAL 79 131.745 1.892 -14.322 621 HB VAL 79 HB VAL 79 129.925 0.932 -16.551 622 1HG1 VAL 79 HG12 VAL 79 130.624 -0.770 -14.870 623 2HG1 VAL 79 HG11 VAL 79 130.008 0.275 -13.590 624 3HG1 VAL 79 HG13 VAL 79 128.900 -0.410 -14.780 625 1HG2 VAL 79 HG22 VAL 79 129.539 2.873 -14.288 626 2HG2 VAL 79 HG21 VAL 79 128.953 2.970 -15.949 627 3HG2 VAL 79 HG23 VAL 79 128.187 1.867 -14.806 628 H ALA 80 HN ALA 80 132.391 1.422 -17.752 629 HA ALA 80 HA ALA 80 133.386 -1.258 -17.608 630 1HB ALA 80 HB2 ALA 80 132.837 0.159 -19.699 631 2HB ALA 80 HB1 ALA 80 134.452 0.839 -19.502 632 3HB ALA 80 HB3 ALA 80 134.251 -0.891 -19.783 633 H ALA 81 HN ALA 81 134.899 1.889 -17.045 634 HA ALA 81 HA ALA 81 137.597 0.858 -16.824 635 1HB ALA 81 HB1 ALA 81 136.769 3.314 -17.204 636 2HB ALA 81 HB3 ALA 81 136.661 3.363 -15.445 637 3HB ALA 81 HB2 ALA 81 138.210 3.040 -16.225 638 H VAL 82 HN VAL 82 134.981 1.519 -14.523 639 HA VAL 82 HA VAL 82 136.489 1.063 -12.132 640 HB VAL 82 HB VAL 82 133.539 0.516 -12.582 641 1HG1 VAL 82 HG11 VAL 82 134.478 -0.345 -10.459 642 2HG1 VAL 82 HG13 VAL 82 135.121 1.257 -10.100 643 3HG1 VAL 82 HG12 VAL 82 133.377 1.003 -10.173 644 1HG2 VAL 82 HG21 VAL 82 135.116 3.042 -12.251 645 2HG2 VAL 82 HG23 VAL 82 133.682 2.740 -13.232 646 3HG2 VAL 82 HG22 VAL 82 133.530 2.940 -11.486 647 H PHE 83 HN PHE 83 134.936 -1.104 -14.422 648 HA PHE 83 HA PHE 83 135.304 -3.450 -12.682 649 1HB PHE 83 HB2 PHE 83 134.100 -2.930 -15.372 650 2HB PHE 83 HB1 PHE 83 134.632 -4.571 -15.003 651 HD1 PHE 83 HD1 PHE 83 133.961 -5.376 -12.521 652 HD2 PHE 83 HD2 PHE 83 131.910 -2.374 -14.809 653 HE1 PHE 83 HE1 PHE 83 131.916 -5.739 -11.164 654 HE2 PHE 83 HE2 PHE 83 129.866 -2.737 -13.452 655 HZ PHE 83 HZ PHE 83 129.869 -4.419 -11.630 656 H ALA 84 HN ALA 84 136.885 -1.901 -15.417 657 HA ALA 84 HA ALA 84 138.633 -4.068 -16.120 658 1HB ALA 84 HB1 ALA 84 138.978 -1.070 -16.430 659 2HB ALA 84 HB3 ALA 84 140.017 -2.279 -17.186 660 3HB ALA 84 HB2 ALA 84 138.313 -2.179 -17.630 661 H TYR 85 HN TYR 85 138.755 -1.587 -13.635 662 HA TYR 85 HA TYR 85 141.548 -1.992 -12.958 663 1HB TYR 85 HB2 TYR 85 140.187 0.074 -12.412 664 2HB TYR 85 HB1 TYR 85 139.366 -0.880 -11.176 665 HD1 TYR 85 HD2 TYR 85 142.787 0.122 -12.324 666 HD2 TYR 85 HD1 TYR 85 140.306 -1.096 -9.036 667 HE1 TYR 85 HE2 TYR 85 144.664 0.533 -10.756 668 HE2 TYR 85 HE1 TYR 85 142.183 -0.686 -7.468 669 HH TYR 85 HH TYR 85 144.770 1.121 -8.132 670 H ALA 86 HN ALA 86 138.477 -3.362 -11.881 671 HA ALA 86 HA ALA 86 139.697 -4.854 -9.680 672 1HB ALA 86 HB2 ALA 86 136.962 -4.969 -10.981 673 2HB ALA 86 HB1 ALA 86 137.431 -5.975 -9.609 674 3HB ALA 86 HB3 ALA 86 137.381 -4.219 -9.440 675 H LYS 87 HN LYS 87 138.826 -5.448 -13.038 676 HA LYS 87 HA LYS 87 139.089 -8.309 -12.990 677 1HB LYS 87 HB2 LYS 87 138.069 -6.807 -14.829 678 2HB LYS 87 HB1 LYS 87 139.730 -6.578 -15.380 679 1HG LYS 87 HG2 LYS 87 139.954 -9.100 -15.440 680 2HG LYS 87 HG1 LYS 87 138.217 -9.191 -15.153 681 1HD LYS 87 HD2 LYS 87 137.809 -7.851 -17.188 682 2HD LYS 87 HD1 LYS 87 139.547 -7.772 -17.481 683 1HE LYS 87 HE2 LYS 87 138.854 -9.570 -18.835 684 2HE LYS 87 HE1 LYS 87 139.460 -10.367 -17.384 685 1HZ LYS 87 HZ1 LYS 87 136.615 -9.698 -17.910 686 2HZ LYS 87 HZ3 LYS 87 137.304 -11.239 -18.076 687 3HZ LYS 87 HZ2 LYS 87 137.216 -10.512 -16.544 688 H GLN 88 HN GLN 88 141.413 -5.690 -13.199 689 HA GLN 88 HA GLN 88 143.617 -7.370 -14.097 690 1HB GLN 88 HB2 GLN 88 143.324 -4.555 -13.107 691 2HB GLN 88 HB1 GLN 88 144.930 -5.285 -13.138 692 1HG GLN 88 HG2 GLN 88 143.060 -5.245 -15.522 693 2HG GLN 88 HG1 GLN 88 144.323 -4.042 -15.249 694 1HE2 GLN 88 HE22 GLN 88 146.987 -6.488 -15.735 695 2HE2 GLN 88 HE21 GLN 88 146.587 -5.200 -14.703 696 H HIS 89 HN HIS 89 142.300 -6.359 -10.994 697 HA HIS 89 HA HIS 89 144.450 -7.944 -9.642 698 1HB HIS 89 HB2 HIS 89 142.779 -5.658 -8.548 699 2HB HIS 89 HB1 HIS 89 143.988 -6.564 -7.636 700 HD1 HIS 89 HD1 HIS 89 144.153 -3.448 -8.384 701 HD2 HIS 89 HD2 HIS 89 146.169 -6.548 -10.308 702 HE1 HIS 89 HE1 HIS 89 146.165 -2.402 -9.512 703 HA PRO 90 HA PRO 90 140.473 -10.458 -9.510 704 1HB PRO 90 HB2 PRO 90 142.321 -12.595 -8.791 705 2HB PRO 90 HB1 PRO 90 141.236 -12.480 -10.181 706 1HG PRO 90 HG2 PRO 90 144.070 -12.095 -10.109 707 2HG PRO 90 HG1 PRO 90 142.987 -12.019 -11.504 708 1HD PRO 90 HD2 PRO 90 144.346 -9.855 -10.343 709 2HD PRO 90 HD1 PRO 90 143.025 -9.756 -11.517 710 H ASP 91 HN ASP 91 143.275 -10.376 -7.321 711 HA ASP 91 HA ASP 91 141.965 -11.508 -5.039 712 1HB ASP 91 HB2 ASP 91 144.481 -11.075 -5.401 713 2HB ASP 91 HB1 ASP 91 144.143 -9.421 -4.889 714 H GLN 92 HN GLN 92 142.130 -8.224 -6.321 715 HA GLN 92 HA GLN 92 140.673 -7.143 -3.987 716 1HB GLN 92 HB2 GLN 92 141.590 -5.796 -6.548 717 2HB GLN 92 HB1 GLN 92 140.912 -4.975 -5.142 718 1HG GLN 92 HG2 GLN 92 142.818 -6.181 -3.824 719 2HG GLN 92 HG1 GLN 92 143.564 -6.372 -5.411 720 1HE2 GLN 92 HE22 GLN 92 144.100 -2.915 -3.590 721 2HE2 GLN 92 HE21 GLN 92 143.773 -4.397 -2.829 722 H GLU 93 HN GLU 93 138.486 -7.163 -3.939 723 HA GLU 93 HA GLU 93 137.002 -7.621 -6.474 724 1HB GLU 93 HB2 GLU 93 136.053 -7.722 -3.593 725 2HB GLU 93 HB1 GLU 93 135.100 -8.170 -5.008 726 1HG GLU 93 HG2 GLU 93 136.844 -9.888 -5.563 727 2HG GLU 93 HG1 GLU 93 137.637 -9.510 -4.033 728 H LEU 94 HN LEU 94 134.625 -6.484 -6.135 729 HA LEU 94 HA LEU 94 135.252 -3.578 -5.840 730 1HB LEU 94 HB2 LEU 94 134.295 -4.708 -8.036 731 2HB LEU 94 HB1 LEU 94 132.761 -4.581 -7.174 732 HG LEU 94 HG LEU 94 133.449 -2.122 -6.732 733 1HD1 LEU 94 HD12 LEU 94 135.258 -2.816 -9.067 734 2HD1 LEU 94 HD11 LEU 94 134.956 -1.188 -8.460 735 3HD1 LEU 94 HD13 LEU 94 135.792 -2.366 -7.448 736 1HD2 LEU 94 HD23 LEU 94 131.794 -3.207 -8.513 737 2HD2 LEU 94 HD22 LEU 94 132.177 -1.485 -8.566 738 3HD2 LEU 94 HD21 LEU 94 132.997 -2.606 -9.654 739 H VAL 95 HN VAL 95 134.205 -2.421 -4.277 740 HA VAL 95 HA VAL 95 131.947 -3.770 -2.845 741 HB VAL 95 HB VAL 95 133.974 -1.852 -1.656 742 1HG1 VAL 95 HG12 VAL 95 131.716 -3.519 -0.522 743 2HG1 VAL 95 HG11 VAL 95 132.988 -2.827 0.484 744 3HG1 VAL 95 HG13 VAL 95 131.914 -1.770 -0.433 745 1HG2 VAL 95 HG21 VAL 95 133.826 -4.866 -1.743 746 2HG2 VAL 95 HG23 VAL 95 135.205 -3.825 -2.093 747 3HG2 VAL 95 HG22 VAL 95 134.657 -4.031 -0.430 748 H ILE 96 HN ILE 96 130.100 -2.708 -3.357 749 HA ILE 96 HA ILE 96 130.200 0.169 -4.049 750 HB ILE 96 HB ILE 96 127.802 -1.685 -4.047 751 1HG1 ILE 96 HG12 ILE 96 129.557 -2.602 -5.515 752 2HG1 ILE 96 HG11 ILE 96 128.230 -1.951 -6.474 753 1HG2 ILE 96 HG22 ILE 96 127.439 0.812 -4.082 754 2HG2 ILE 96 HG21 ILE 96 128.324 0.860 -5.604 755 3HG2 ILE 96 HG23 ILE 96 126.807 -0.033 -5.494 756 1HD1 ILE 96 HD11 ILE 96 129.527 0.157 -6.783 757 2HD1 ILE 96 HD13 ILE 96 130.869 -0.566 -5.896 758 3HD1 ILE 96 HD12 ILE 96 130.365 -1.247 -7.443 759 H ALA 97 HN ALA 97 129.870 1.652 -2.479 760 HA ALA 97 HA ALA 97 128.385 0.817 -0.027 761 1HB ALA 97 HB2 ALA 97 130.840 1.810 -0.049 762 2HB ALA 97 HB1 ALA 97 129.984 3.347 -0.177 763 3HB ALA 97 HB3 ALA 97 129.695 2.289 1.204 764 H GLY 98 HN GLY 98 128.493 3.168 -2.637 765 1HA GLY 98 HA2 GLY 98 125.880 3.824 -2.888 766 2HA GLY 98 HA1 GLY 98 126.315 4.774 -1.467 767 H GLY 99 HN GLY 99 126.951 7.166 -4.151 768 1HA GLY 99 HA2 GLY 99 125.143 6.384 -2.004 769 2HA GLY 99 HA1 GLY 99 124.873 7.685 -3.166 770 H ALA 100 HN ALA 100 122.639 6.848 -3.293 771 HA ALA 100 HA ALA 100 121.993 4.220 -4.201 772 1HB ALA 100 HB3 ALA 100 120.522 6.852 -4.513 773 2HB ALA 100 HB2 ALA 100 119.832 5.287 -4.946 774 3HB ALA 100 HB1 ALA 100 120.261 5.629 -3.270 775 H GLN 101 HN GLN 101 122.992 7.126 -5.910 776 HA GLN 101 HA GLN 101 122.243 6.315 -8.554 777 1HB GLN 101 HB2 GLN 101 123.064 8.627 -7.728 778 2HB GLN 101 HB1 GLN 101 124.688 7.971 -7.935 779 1HG GLN 101 HG2 GLN 101 124.243 8.988 -10.015 780 2HG GLN 101 HG1 GLN 101 123.878 7.286 -10.304 781 1HE2 GLN 101 HE22 GLN 101 120.786 9.987 -10.115 782 2HE2 GLN 101 HE21 GLN 101 122.291 10.395 -9.445 783 H ILE 102 HN ILE 102 125.059 5.626 -6.541 784 HA ILE 102 HA ILE 102 126.554 4.335 -8.685 785 HB ILE 102 HB ILE 102 126.929 4.072 -5.688 786 1HG1 ILE 102 HG12 ILE 102 126.944 6.445 -6.371 787 2HG1 ILE 102 HG11 ILE 102 128.563 5.913 -5.920 788 1HG2 ILE 102 HG22 ILE 102 128.748 3.603 -8.065 789 2HG2 ILE 102 HG21 ILE 102 129.302 3.628 -6.391 790 3HG2 ILE 102 HG23 ILE 102 128.160 2.394 -6.922 791 1HD1 ILE 102 HD11 ILE 102 128.445 5.343 -8.638 792 2HD1 ILE 102 HD13 ILE 102 127.574 6.871 -8.505 793 3HD1 ILE 102 HD12 ILE 102 129.231 6.746 -7.915 794 H PHE 103 HN PHE 103 124.404 3.293 -6.073 795 HA PHE 103 HA PHE 103 124.845 0.477 -6.332 796 1HB PHE 103 HB2 PHE 103 122.555 2.144 -5.293 797 2HB PHE 103 HB1 PHE 103 122.429 0.388 -5.376 798 HD1 PHE 103 HD2 PHE 103 125.032 -0.613 -4.657 799 HD2 PHE 103 HD1 PHE 103 122.936 2.792 -3.086 800 HE1 PHE 103 HE2 PHE 103 126.305 -0.807 -2.538 801 HE2 PHE 103 HE1 PHE 103 124.210 2.598 -0.968 802 HZ PHE 103 HZ PHE 103 125.895 0.799 -0.695 803 H THR 104 HN THR 104 122.546 2.685 -7.912 804 HA THR 104 HA THR 104 121.098 0.692 -9.365 805 HB THR 104 HB THR 104 121.643 3.538 -10.257 806 HG1 THR 104 HG1 THR 104 119.794 4.029 -9.035 807 1HG2 THR 104 HG22 THR 104 120.464 1.720 -11.732 808 2HG2 THR 104 HG21 THR 104 119.102 1.982 -10.642 809 3HG2 THR 104 HG23 THR 104 119.742 3.322 -11.594 810 H ALA 105 HN ALA 105 124.161 2.309 -9.966 811 HA ALA 105 HA ALA 105 124.413 1.550 -12.736 812 1HB ALA 105 HB3 ALA 105 126.378 2.395 -10.606 813 2HB ALA 105 HB2 ALA 105 126.922 1.907 -12.211 814 3HB ALA 105 HB1 ALA 105 125.847 3.294 -12.028 815 H PHE 106 HN PHE 106 125.535 0.070 -9.693 816 HA PHE 106 HA PHE 106 126.435 -2.316 -11.230 817 1HB PHE 106 HB2 PHE 106 126.827 -1.622 -8.302 818 2HB PHE 106 HB1 PHE 106 127.561 -2.982 -9.153 819 HD1 PHE 106 HD2 PHE 106 128.996 -2.431 -11.245 820 HD2 PHE 106 HD1 PHE 106 127.904 0.465 -8.268 821 HE1 PHE 106 HE2 PHE 106 130.852 -0.967 -11.990 822 HE2 PHE 106 HE1 PHE 106 129.761 1.931 -9.012 823 HZ PHE 106 HZ PHE 106 131.235 1.215 -10.873 824 H LYS 107 HN LYS 107 123.641 -1.901 -11.061 825 HA LYS 107 HA LYS 107 122.676 -3.711 -8.922 826 1HB LYS 107 HB2 LYS 107 121.462 -1.571 -9.544 827 2HB LYS 107 HB1 LYS 107 121.053 -2.336 -11.079 828 1HG LYS 107 HG2 LYS 107 120.248 -4.304 -9.470 829 2HG LYS 107 HG1 LYS 107 120.079 -2.972 -8.326 830 1HD LYS 107 HD2 LYS 107 118.698 -1.745 -9.986 831 2HD LYS 107 HD1 LYS 107 118.823 -3.122 -11.083 832 1HE LYS 107 HE2 LYS 107 117.944 -4.454 -8.957 833 2HE LYS 107 HE1 LYS 107 117.298 -2.872 -8.522 834 1HZ LYS 107 HZ1 LYS 107 116.292 -2.778 -10.765 835 2HZ LYS 107 HZ3 LYS 107 116.794 -4.377 -11.029 836 3HZ LYS 107 HZ2 LYS 107 115.673 -4.033 -9.799 837 H ASP 108 HN ASP 108 123.106 -3.594 -12.420 838 HA ASP 108 HA ASP 108 121.666 -6.044 -12.975 839 1HB ASP 108 HB2 ASP 108 123.733 -4.470 -14.531 840 2HB ASP 108 HB1 ASP 108 122.967 -5.932 -15.159 841 H ASP 109 HN ASP 109 124.961 -5.266 -12.041 842 HA ASP 109 HA ASP 109 125.640 -8.174 -12.205 843 1HB ASP 109 HB2 ASP 109 127.460 -5.746 -12.285 844 2HB ASP 109 HB1 ASP 109 128.018 -7.419 -12.271 845 H VAL 110 HN VAL 110 124.385 -8.110 -10.063 846 HA VAL 110 HA VAL 110 126.326 -7.564 -7.863 847 HB VAL 110 HB VAL 110 124.628 -5.770 -7.880 848 1HG1 VAL 110 HG12 VAL 110 122.890 -7.447 -8.919 849 2HG1 VAL 110 HG11 VAL 110 122.505 -7.796 -7.234 850 3HG1 VAL 110 HG13 VAL 110 122.328 -6.155 -7.857 851 1HG2 VAL 110 HG23 VAL 110 125.534 -6.690 -5.716 852 2HG2 VAL 110 HG22 VAL 110 123.934 -5.965 -5.564 853 3HG2 VAL 110 HG21 VAL 110 124.105 -7.719 -5.614 854 H ASP 111 HN ASP 111 126.424 -9.176 -6.314 855 HA ASP 111 HA ASP 111 124.434 -11.396 -6.500 856 1HB ASP 111 HB2 ASP 111 127.457 -11.621 -6.429 857 2HB ASP 111 HB1 ASP 111 126.375 -12.979 -6.111 858 H THR 112 HN THR 112 127.369 -10.742 -4.559 859 HA THR 112 HA THR 112 126.071 -11.597 -2.111 860 HB THR 112 HB THR 112 128.590 -9.933 -2.304 861 HG1 THR 112 HG1 THR 112 128.965 -11.592 -3.672 862 1HG2 THR 112 HG22 THR 112 127.500 -11.969 -0.350 863 2HG2 THR 112 HG21 THR 112 129.167 -11.394 -0.314 864 3HG2 THR 112 HG23 THR 112 127.839 -10.264 -0.048 865 H LEU 113 HN LEU 113 124.629 -10.383 -0.999 866 HA LEU 113 HA LEU 113 124.788 -7.408 -1.263 867 1HB LEU 113 HB2 LEU 113 122.442 -9.234 -0.670 868 2HB LEU 113 HB1 LEU 113 122.366 -7.474 -0.561 869 HG LEU 113 HG LEU 113 123.393 -8.766 -3.072 870 1HD1 LEU 113 HD13 LEU 113 121.230 -9.860 -2.571 871 2HD1 LEU 113 HD12 LEU 113 120.476 -8.276 -2.392 872 3HD1 LEU 113 HD11 LEU 113 121.097 -8.785 -3.963 873 1HD2 LEU 113 HD23 LEU 113 122.277 -6.134 -2.187 874 2HD2 LEU 113 HD22 LEU 113 123.653 -6.469 -3.237 875 3HD2 LEU 113 HD21 LEU 113 122.010 -6.626 -3.859 876 H LEU 114 HN LEU 114 126.107 -6.887 0.481 877 HA LEU 114 HA LEU 114 125.548 -8.072 3.133 878 1HB LEU 114 HB2 LEU 114 127.618 -6.026 2.270 879 2HB LEU 114 HB1 LEU 114 127.532 -6.792 3.857 880 HG LEU 114 HG LEU 114 127.631 -8.531 1.417 881 1HD1 LEU 114 HD13 LEU 114 129.983 -7.103 2.690 882 2HD1 LEU 114 HD12 LEU 114 130.142 -8.503 1.628 883 3HD1 LEU 114 HD11 LEU 114 129.460 -6.998 1.008 884 1HD2 LEU 114 HD23 LEU 114 127.278 -9.348 3.809 885 2HD2 LEU 114 HD22 LEU 114 128.623 -10.092 2.946 886 3HD2 LEU 114 HD21 LEU 114 128.930 -8.828 4.137 887 H VAL 115 HN VAL 115 124.157 -7.098 4.521 888 HA VAL 115 HA VAL 115 123.886 -4.143 4.452 889 HB VAL 115 HB VAL 115 122.103 -5.028 2.988 890 1HG1 VAL 115 HG11 VAL 115 121.943 -7.268 4.068 891 2HG1 VAL 115 HG13 VAL 115 121.158 -6.514 5.456 892 3HG1 VAL 115 HG12 VAL 115 120.369 -6.496 3.879 893 1HG2 VAL 115 HG21 VAL 115 121.798 -3.094 4.742 894 2HG2 VAL 115 HG23 VAL 115 120.386 -3.722 3.891 895 3HG2 VAL 115 HG22 VAL 115 120.725 -4.242 5.542 896 H THR 116 HN THR 116 123.219 -3.258 6.458 897 HA THR 116 HA THR 116 123.354 -5.180 8.741 898 HB THR 116 HB THR 116 123.768 -2.179 8.816 899 HG1 THR 116 HG1 THR 116 125.928 -2.616 8.677 900 1HG2 THR 116 HG22 THR 116 123.155 -3.454 10.928 901 2HG2 THR 116 HG21 THR 116 124.681 -4.319 10.747 902 3HG2 THR 116 HG23 THR 116 124.681 -2.573 10.994 903 H ARG 117 HN ARG 117 121.272 -5.716 9.263 904 HA ARG 117 HA ARG 117 119.084 -3.784 9.007 905 1HB ARG 117 HB2 ARG 117 119.337 -6.662 9.811 906 2HB ARG 117 HB1 ARG 117 117.885 -5.774 10.277 907 1HG ARG 117 HG2 ARG 117 117.961 -5.005 7.730 908 2HG ARG 117 HG1 ARG 117 118.860 -6.512 7.549 909 1HD ARG 117 HD2 ARG 117 116.883 -7.491 9.014 910 2HD ARG 117 HD1 ARG 117 116.014 -6.092 8.382 911 HE ARG 117 HE ARG 117 117.375 -7.549 6.279 912 1HH1 ARG 117 HH21 ARG 117 114.522 -7.504 8.299 913 2HH1 ARG 117 HH22 ARG 117 113.576 -8.392 7.156 914 1HH2 ARG 117 HH11 ARG 117 116.115 -8.695 4.828 915 2HH2 ARG 117 HH12 ARG 117 114.466 -9.060 5.212 916 H LEU 118 HN LEU 118 118.758 -2.260 10.541 917 HA LEU 118 HA LEU 118 119.796 -2.692 13.280 918 1HB LEU 118 HB2 LEU 118 118.964 -0.342 11.649 919 2HB LEU 118 HB1 LEU 118 118.728 -0.224 13.393 920 HG LEU 118 HG LEU 118 121.170 -1.098 13.561 921 1HD1 LEU 118 HD13 LEU 118 121.244 -1.672 11.100 922 2HD1 LEU 118 HD12 LEU 118 121.233 0.059 10.759 923 3HD1 LEU 118 HD11 LEU 118 122.578 -0.657 11.649 924 1HD2 LEU 118 HD21 LEU 118 120.237 1.280 13.959 925 2HD2 LEU 118 HD23 LEU 118 121.965 1.135 13.637 926 3HD2 LEU 118 HD22 LEU 118 120.870 1.657 12.356 927 H ALA 119 HN ALA 119 118.219 -1.690 15.034 928 HA ALA 119 HA ALA 119 115.541 -2.946 14.590 929 1HB ALA 119 HB1 ALA 119 116.891 -4.001 16.375 930 2HB ALA 119 HB3 ALA 119 117.024 -2.442 17.189 931 3HB ALA 119 HB2 ALA 119 115.452 -3.227 17.038 932 H GLY 120 HN GLY 120 117.228 -0.119 15.900 933 1HA GLY 120 HA2 GLY 120 114.849 1.260 16.778 934 2HA GLY 120 HA1 GLY 120 116.422 2.007 16.501 935 H SER 121 HN SER 121 113.746 2.992 15.709 936 HA SER 121 HA SER 121 113.844 2.794 12.746 937 1HB SER 121 HB2 SER 121 111.713 4.273 13.038 938 2HB SER 121 HB1 SER 121 111.623 2.568 13.471 939 HG SER 121 HG SER 121 111.300 4.746 15.016 940 H PHE 122 HN PHE 122 114.134 4.649 11.441 941 HA PHE 122 HA PHE 122 114.720 7.231 12.762 942 1HB PHE 122 HB2 PHE 122 116.738 5.858 10.959 943 2HB PHE 122 HB1 PHE 122 116.922 7.435 11.727 944 HD1 PHE 122 HD1 PHE 122 116.861 3.791 12.269 945 HD2 PHE 122 HD2 PHE 122 117.333 7.637 14.126 946 HE1 PHE 122 HE1 PHE 122 117.765 2.699 14.303 947 HE2 PHE 122 HE2 PHE 122 118.236 6.544 16.160 948 HZ PHE 122 HZ PHE 122 118.453 4.075 16.249 949 H GLU 123 HN GLU 123 114.686 9.010 11.246 950 HA GLU 123 HA GLU 123 113.468 8.293 8.607 951 1HB GLU 123 HB2 GLU 123 112.335 10.526 8.749 952 2HB GLU 123 HB1 GLU 123 111.837 9.413 10.023 953 1HG GLU 123 HG2 GLU 123 114.179 11.161 10.600 954 2HG GLU 123 HG1 GLU 123 112.596 11.935 10.551 955 H GLY 124 HN GLY 124 113.986 9.798 6.835 956 1HA GLY 124 HA2 GLY 124 115.959 11.859 7.058 957 2HA GLY 124 HA1 GLY 124 116.748 10.356 6.576 958 H ASP 125 HN ASP 125 117.242 11.094 4.469 959 HA ASP 125 HA ASP 125 114.864 11.357 2.670 960 1HB ASP 125 HB2 ASP 125 117.434 12.941 2.719 961 2HB ASP 125 HB1 ASP 125 116.465 12.813 1.250 962 H THR 126 HN THR 126 118.311 10.475 2.894 963 HA THR 126 HA THR 126 118.379 9.145 0.326 964 HB THR 126 HB THR 126 120.217 8.491 2.626 965 HG1 THR 126 HG1 THR 126 120.997 10.432 2.576 966 1HG2 THR 126 HG22 THR 126 120.248 7.423 0.245 967 2HG2 THR 126 HG21 THR 126 120.938 8.967 -0.255 968 3HG2 THR 126 HG23 THR 126 121.768 7.977 0.946 969 H LYS 127 HN LYS 127 117.402 7.245 -0.134 970 HA LYS 127 HA LYS 127 117.052 5.263 2.080 971 1HB LYS 127 HB2 LYS 127 115.127 6.215 -0.020 972 2HB LYS 127 HB1 LYS 127 115.000 4.561 0.583 973 1HG LYS 127 HG2 LYS 127 114.520 5.257 2.769 974 2HG LYS 127 HG1 LYS 127 115.221 6.856 2.517 975 1HD LYS 127 HD2 LYS 127 113.343 7.221 0.796 976 2HD LYS 127 HD1 LYS 127 112.582 5.795 1.502 977 1HE LYS 127 HE2 LYS 127 113.524 8.029 3.281 978 2HE LYS 127 HE1 LYS 127 111.972 8.154 2.454 979 1HZ LYS 127 HZ3 LYS 127 111.326 6.038 3.431 980 2HZ LYS 127 HZ2 LYS 127 112.818 5.935 4.239 981 3HZ LYS 127 HZ1 LYS 127 111.715 7.166 4.636 982 H MET 128 HN MET 128 116.687 2.989 1.121 983 HA MET 128 HA MET 128 118.809 2.514 -0.878 984 1HB MET 128 HB2 MET 128 118.602 1.149 1.238 985 2HB MET 128 HB1 MET 128 117.106 0.479 0.586 986 1HG MET 128 HG2 MET 128 118.846 -1.068 0.014 987 2HG MET 128 HG1 MET 128 118.442 -0.201 -1.467 988 1HE MET 128 HE2 MET 128 120.677 -1.712 -1.638 989 2HE MET 128 HE1 MET 128 120.807 -0.427 -2.836 990 3HE MET 128 HE3 MET 128 122.198 -0.843 -1.826 991 H ILE 129 HN ILE 129 118.438 1.622 -2.915 992 HA ILE 129 HA ILE 129 115.930 2.132 -4.185 993 HB ILE 129 HB ILE 129 116.892 0.793 -6.074 994 1HG1 ILE 129 HG12 ILE 129 119.360 0.493 -4.364 995 2HG1 ILE 129 HG11 ILE 129 118.112 -0.753 -4.371 996 1HG2 ILE 129 HG22 ILE 129 117.442 3.192 -5.772 997 2HG2 ILE 129 HG21 ILE 129 118.817 2.739 -4.766 998 3HG2 ILE 129 HG23 ILE 129 118.792 2.300 -6.474 999 1HD1 ILE 129 HD11 ILE 129 118.306 -0.639 -6.954 1000 2HD1 ILE 129 HD13 ILE 129 119.835 0.190 -6.658 1001 3HD1 ILE 129 HD12 ILE 129 119.594 -1.454 -6.066 1002 HA PRO 130 HA PRO 130 113.641 -1.614 -3.463 1003 1HB PRO 130 HB2 PRO 130 112.374 -1.847 -5.951 1004 2HB PRO 130 HB1 PRO 130 111.817 -0.865 -4.590 1005 1HG PRO 130 HG2 PRO 130 112.825 0.027 -7.114 1006 2HG PRO 130 HG1 PRO 130 112.252 1.004 -5.755 1007 1HD PRO 130 HD2 PRO 130 114.997 0.446 -6.592 1008 2HD PRO 130 HD1 PRO 130 114.397 1.675 -5.466 1009 H LEU 131 HN LEU 131 115.184 -3.285 -3.344 1010 HA LEU 131 HA LEU 131 116.158 -4.492 -5.873 1011 1HB LEU 131 HB2 LEU 131 116.856 -4.971 -2.963 1012 2HB LEU 131 HB1 LEU 131 117.528 -5.916 -4.292 1013 HG LEU 131 HG LEU 131 117.668 -2.926 -4.438 1014 1HD1 LEU 131 HD11 LEU 131 119.338 -4.726 -2.679 1015 2HD1 LEU 131 HD13 LEU 131 119.967 -3.201 -3.302 1016 3HD1 LEU 131 HD12 LEU 131 118.549 -3.208 -2.253 1017 1HD2 LEU 131 HD22 LEU 131 119.361 -5.260 -5.375 1018 2HD2 LEU 131 HD21 LEU 131 118.409 -4.160 -6.372 1019 3HD2 LEU 131 HD23 LEU 131 119.856 -3.577 -5.550 1020 H ASN 132 HN ASN 132 115.911 -6.818 -6.216 1021 HA ASN 132 HA ASN 132 113.270 -7.774 -5.299 1022 1HB ASN 132 HB2 ASN 132 114.411 -7.922 -7.722 1023 2HB ASN 132 HB1 ASN 132 115.013 -9.441 -7.056 1024 1HD2 ASN 132 HD22 ASN 132 111.909 -11.064 -7.382 1025 2HD2 ASN 132 HD21 ASN 132 113.575 -11.192 -7.084 1026 H TRP 133 HN TRP 133 113.231 -8.860 -3.398 1027 HA TRP 133 HA TRP 133 115.626 -10.321 -2.473 1028 1HB TRP 133 HB2 TRP 133 112.935 -9.882 -1.141 1029 2HB TRP 133 HB1 TRP 133 114.355 -10.597 -0.376 1030 HD1 TRP 133 HD1 TRP 133 112.967 -7.281 -1.639 1031 HE1 TRP 133 HE1 TRP 133 114.432 -5.363 -0.730 1032 HE3 TRP 133 HE3 TRP 133 116.759 -9.983 0.460 1033 HZ2 TRP 133 HZ2 TRP 133 116.888 -5.021 0.697 1034 HZ3 TRP 133 HZ3 TRP 133 118.645 -8.838 1.587 1035 HH2 TRP 133 HH2 TRP 133 118.715 -6.363 1.708 1036 H ASP 134 HN ASP 134 112.471 -10.970 -3.844 1037 HA ASP 134 HA ASP 134 112.136 -13.677 -3.034 1038 1HB ASP 134 HB2 ASP 134 110.502 -12.125 -4.309 1039 2HB ASP 134 HB1 ASP 134 111.345 -12.663 -5.762 1040 H ASP 135 HN ASP 135 114.227 -12.230 -5.442 1041 HA ASP 135 HA ASP 135 114.932 -14.905 -6.528 1042 1HB ASP 135 HB2 ASP 135 115.338 -12.074 -7.422 1043 2HB ASP 135 HB1 ASP 135 116.477 -13.302 -7.975 1044 H PHE 136 HN PHE 136 115.663 -14.236 -3.804 1045 HA PHE 136 HA PHE 136 118.591 -14.605 -4.048 1046 1HB PHE 136 HB2 PHE 136 117.233 -12.304 -2.676 1047 2HB PHE 136 HB1 PHE 136 118.736 -12.941 -2.009 1048 HD1 PHE 136 HD2 PHE 136 117.174 -11.455 -5.031 1049 HD2 PHE 136 HD1 PHE 136 120.840 -12.576 -3.095 1050 HE1 PHE 136 HE2 PHE 136 118.461 -10.222 -6.754 1051 HE2 PHE 136 HE1 PHE 136 122.128 -11.344 -4.819 1052 HZ PHE 136 HZ PHE 136 120.938 -10.166 -6.649 1053 H THR 137 HN THR 137 119.487 -15.114 -1.748 1054 HA THR 137 HA THR 137 117.460 -16.383 0.006 1055 HB THR 137 HB THR 137 119.873 -17.913 -1.001 1056 HG1 THR 137 HG1 THR 137 117.149 -18.176 -1.740 1057 1HG2 THR 137 HG22 THR 137 117.398 -18.746 0.538 1058 2HG2 THR 137 HG21 THR 137 118.691 -19.825 0.013 1059 3HG2 THR 137 HG23 THR 137 119.019 -18.574 1.212 1060 H LYS 138 HN LYS 138 118.341 -16.887 2.141 1061 HA LYS 138 HA LYS 138 120.526 -15.031 2.876 1062 1HB LYS 138 HB2 LYS 138 118.274 -15.259 4.129 1063 2HB LYS 138 HB1 LYS 138 118.944 -16.754 4.783 1064 1HG LYS 138 HG2 LYS 138 120.654 -15.640 5.933 1065 2HG LYS 138 HG1 LYS 138 120.541 -14.208 4.908 1066 1HD LYS 138 HD2 LYS 138 119.549 -13.639 7.028 1067 2HD LYS 138 HD1 LYS 138 118.232 -13.820 5.869 1068 1HE LYS 138 HE2 LYS 138 117.448 -15.072 7.680 1069 2HE LYS 138 HE1 LYS 138 118.214 -16.313 6.689 1070 1HZ LYS 138 HZ3 LYS 138 120.220 -16.082 8.021 1071 2HZ LYS 138 HZ2 LYS 138 119.467 -14.901 8.982 1072 3HZ LYS 138 HZ1 LYS 138 118.895 -16.501 8.992 1073 H VAL 139 HN VAL 139 122.523 -15.717 3.578 1074 HA VAL 139 HA VAL 139 122.960 -18.676 3.716 1075 HB VAL 139 HB VAL 139 124.974 -16.552 2.917 1076 1HG1 VAL 139 HG11 VAL 139 125.845 -18.683 3.932 1077 2HG1 VAL 139 HG13 VAL 139 125.052 -19.570 2.629 1078 3HG1 VAL 139 HG12 VAL 139 126.353 -18.437 2.261 1079 1HG2 VAL 139 HG23 VAL 139 123.255 -18.421 1.260 1080 2HG2 VAL 139 HG22 VAL 139 123.283 -16.658 1.196 1081 3HG2 VAL 139 HG21 VAL 139 124.671 -17.584 0.624 1082 H SER 140 HN SER 140 124.698 -15.710 4.728 1083 HA SER 140 HA SER 140 125.196 -17.036 7.358 1084 1HB SER 140 HB2 SER 140 126.706 -15.009 5.736 1085 2HB SER 140 HB1 SER 140 126.916 -15.042 7.485 1086 HG SER 140 HG SER 140 127.904 -16.699 5.607 1087 H SER 141 HN SER 141 124.654 -15.947 9.267 1088 HA SER 141 HA SER 141 123.484 -13.235 9.090 1089 1HB SER 141 HB2 SER 141 121.579 -14.768 8.697 1090 2HB SER 141 HB1 SER 141 121.954 -15.611 10.196 1091 HG SER 141 HG SER 141 121.208 -12.887 9.877 1092 H ARG 142 HN ARG 142 124.759 -12.255 10.595 1093 HA ARG 142 HA ARG 142 125.187 -13.668 13.198 1094 1HB ARG 142 HB2 ARG 142 127.254 -13.158 11.880 1095 2HB ARG 142 HB1 ARG 142 126.851 -11.444 11.978 1096 1HG ARG 142 HG2 ARG 142 127.411 -11.297 14.195 1097 2HG ARG 142 HG1 ARG 142 126.864 -12.934 14.549 1098 1HD ARG 142 HD2 ARG 142 129.021 -13.579 14.532 1099 2HD ARG 142 HD1 ARG 142 129.056 -13.248 12.802 1100 HE ARG 142 HE ARG 142 130.193 -11.564 14.908 1101 1HH1 ARG 142 HH11 ARG 142 128.988 -11.676 11.623 1102 2HH1 ARG 142 HH12 ARG 142 129.871 -10.270 11.149 1103 1HH2 ARG 142 HH21 ARG 142 131.312 -9.748 14.246 1104 2HH2 ARG 142 HH22 ARG 142 131.172 -9.189 12.613 1105 H THR 143 HN THR 143 123.858 -12.860 14.738 1106 HA THR 143 HA THR 143 122.737 -10.153 14.490 1107 HB THR 143 HB THR 143 122.402 -12.011 16.847 1108 HG1 THR 143 HG1 THR 143 121.159 -13.248 15.690 1109 1HG2 THR 143 HG22 THR 143 120.713 -9.853 15.559 1110 2HG2 THR 143 HG21 THR 143 120.144 -10.903 16.857 1111 3HG2 THR 143 HG23 THR 143 121.484 -9.794 17.144 1112 H VAL 144 HN VAL 144 123.107 -8.463 16.000 1113 HA VAL 144 HA VAL 144 125.330 -8.868 17.942 1114 HB VAL 144 HB VAL 144 125.164 -6.517 16.033 1115 1HG1 VAL 144 HG12 VAL 144 127.162 -7.404 18.130 1116 2HG1 VAL 144 HG11 VAL 144 127.529 -6.189 16.905 1117 3HG1 VAL 144 HG13 VAL 144 126.251 -5.894 18.083 1118 1HG2 VAL 144 HG22 VAL 144 125.739 -8.695 14.916 1119 2HG2 VAL 144 HG21 VAL 144 127.050 -7.515 14.867 1120 3HG2 VAL 144 HG23 VAL 144 127.106 -8.849 16.020 1121 H GLU 145 HN GLU 145 124.295 -8.440 19.837 1122 HA GLU 145 HA GLU 145 122.192 -6.370 19.952 1123 1HB GLU 145 HB2 GLU 145 122.339 -8.730 21.202 1124 2HB GLU 145 HB1 GLU 145 123.186 -7.756 22.404 1125 1HG GLU 145 HG2 GLU 145 120.575 -6.801 21.253 1126 2HG GLU 145 HG1 GLU 145 120.589 -7.972 22.572 1127 H ASP 146 HN ASP 146 122.675 -4.300 20.465 1128 HA ASP 146 HA ASP 146 125.354 -3.670 21.552 1129 1HB ASP 146 HB2 ASP 146 123.900 -2.436 19.637 1130 2HB ASP 146 HB1 ASP 146 123.374 -1.509 21.042 1131 H THR 147 HN THR 147 125.039 -1.504 23.088 1132 HA THR 147 HA THR 147 124.096 -2.520 25.587 1133 HB THR 147 HB THR 147 124.343 -0.116 26.345 1134 HG1 THR 147 HG1 THR 147 125.099 1.337 24.828 1135 1HG2 THR 147 HG21 THR 147 126.218 -1.826 26.237 1136 2HG2 THR 147 HG23 THR 147 126.683 -1.098 24.699 1137 3HG2 THR 147 HG22 THR 147 126.734 -0.141 26.179 1138 H ASN 148 HN ASN 148 122.635 -0.270 23.249 1139 HA ASN 148 HA ASN 148 120.121 -0.304 24.850 1140 1HB ASN 148 HB2 ASN 148 121.198 1.516 22.697 1141 2HB ASN 148 HB1 ASN 148 119.484 1.515 23.114 1142 1HD2 ASN 148 HD22 ASN 148 121.714 3.823 25.317 1143 2HD2 ASN 148 HD21 ASN 148 121.893 3.471 23.666 1144 HA PRO 149 HA PRO 149 118.010 -2.749 21.787 1145 1HB PRO 149 HB2 PRO 149 115.488 -1.551 21.911 1146 2HB PRO 149 HB1 PRO 149 116.092 -2.803 23.005 1147 1HG PRO 149 HG2 PRO 149 115.531 -0.053 23.593 1148 2HG PRO 149 HG1 PRO 149 116.090 -1.321 24.692 1149 1HD PRO 149 HD2 PRO 149 117.614 0.846 23.460 1150 2HD PRO 149 HD1 PRO 149 118.070 -0.224 24.795 1151 H ALA 150 HN ALA 150 117.791 0.747 21.462 1152 HA ALA 150 HA ALA 150 116.742 0.683 18.743 1153 1HB ALA 150 HB2 ALA 150 117.970 2.864 20.445 1154 2HB ALA 150 HB1 ALA 150 117.428 3.137 18.789 1155 3HB ALA 150 HB3 ALA 150 116.270 2.650 20.027 1156 H LEU 151 HN LEU 151 119.910 0.541 20.212 1157 HA LEU 151 HA LEU 151 121.233 1.109 17.618 1158 1HB LEU 151 HB2 LEU 151 122.298 0.660 20.417 1159 2HB LEU 151 HB1 LEU 151 123.339 0.851 19.006 1160 HG LEU 151 HG LEU 151 121.205 2.877 19.693 1161 1HD1 LEU 151 HD11 LEU 151 122.930 2.480 21.564 1162 2HD1 LEU 151 HD13 LEU 151 124.123 3.125 20.438 1163 3HD1 LEU 151 HD12 LEU 151 122.773 4.131 20.963 1164 1HD2 LEU 151 HD23 LEU 151 123.746 2.921 18.031 1165 2HD2 LEU 151 HD22 LEU 151 122.091 2.982 17.425 1166 3HD2 LEU 151 HD21 LEU 151 122.741 4.336 18.349 1167 H THR 152 HN THR 152 119.617 -1.386 18.181 1168 HA THR 152 HA THR 152 121.627 -3.529 18.276 1169 HB THR 152 HB THR 152 118.748 -3.929 17.491 1170 HG1 THR 152 HG1 THR 152 118.089 -3.440 19.428 1171 1HG2 THR 152 HG21 THR 152 120.721 -5.698 17.745 1172 2HG2 THR 152 HG23 THR 152 120.277 -5.589 19.449 1173 3HG2 THR 152 HG22 THR 152 119.077 -6.082 18.254 1174 H HIS 153 HN HIS 153 122.338 -4.710 16.496 1175 HA HIS 153 HA HIS 153 121.145 -4.114 13.840 1176 1HB HIS 153 HB2 HIS 153 123.440 -3.774 12.890 1177 2HB HIS 153 HB1 HIS 153 122.958 -2.504 14.013 1178 HD1 HIS 153 HD1 HIS 153 123.827 -2.941 16.595 1179 HD2 HIS 153 HD2 HIS 153 125.853 -4.951 13.556 1180 HE1 HIS 153 HE1 HIS 153 126.041 -3.678 17.576 1181 H THR 154 HN THR 154 121.588 -5.754 12.268 1182 HA THR 154 HA THR 154 122.913 -8.216 13.322 1183 HB THR 154 HB THR 154 120.327 -8.158 11.736 1184 HG1 THR 154 HG1 THR 154 119.781 -7.534 13.738 1185 1HG2 THR 154 HG23 THR 154 122.160 -10.150 11.818 1186 2HG2 THR 154 HG22 THR 154 121.217 -10.544 13.254 1187 3HG2 THR 154 HG21 THR 154 120.427 -10.439 11.680 1188 H TYR 155 HN TYR 155 124.639 -8.507 11.996 1189 HA TYR 155 HA TYR 155 124.850 -7.402 9.354 1190 1HB TYR 155 HB2 TYR 155 126.414 -9.625 10.700 1191 2HB TYR 155 HB1 TYR 155 126.864 -8.876 9.168 1192 HD1 TYR 155 HD2 TYR 155 126.601 -6.115 9.362 1193 HD2 TYR 155 HD1 TYR 155 127.635 -8.842 12.516 1194 HE1 TYR 155 HE2 TYR 155 127.720 -4.271 10.589 1195 HE2 TYR 155 HE1 TYR 155 128.752 -6.998 13.743 1196 HH TYR 155 HH TYR 155 128.501 -4.399 13.781 1197 H GLU 156 HN GLU 156 123.207 -8.075 7.977 1198 HA GLU 156 HA GLU 156 122.663 -10.976 7.699 1199 1HB GLU 156 HB2 GLU 156 121.364 -8.561 6.398 1200 2HB GLU 156 HB1 GLU 156 120.828 -10.231 6.200 1201 1HG GLU 156 HG2 GLU 156 121.146 -9.151 8.976 1202 2HG GLU 156 HG1 GLU 156 119.727 -8.675 8.042 1203 H VAL 157 HN VAL 157 123.525 -12.158 6.058 1204 HA VAL 157 HA VAL 157 124.907 -10.673 3.858 1205 HB VAL 157 HB VAL 157 125.506 -13.466 4.878 1206 1HG1 VAL 157 HG13 VAL 157 126.905 -11.595 2.945 1207 2HG1 VAL 157 HG12 VAL 157 127.629 -13.073 3.579 1208 3HG1 VAL 157 HG11 VAL 157 126.183 -13.160 2.572 1209 1HG2 VAL 157 HG23 VAL 157 126.759 -10.775 5.491 1210 2HG2 VAL 157 HG22 VAL 157 126.089 -11.938 6.635 1211 3HG2 VAL 157 HG21 VAL 157 127.588 -12.304 5.783 1212 H TRP 158 HN TRP 158 123.062 -10.630 2.481 1213 HA TRP 158 HA TRP 158 121.677 -13.130 1.812 1214 1HB TRP 158 HB2 TRP 158 121.482 -10.313 0.712 1215 2HB TRP 158 HB1 TRP 158 120.492 -11.655 0.139 1216 HD1 TRP 158 HD1 TRP 158 121.290 -9.806 3.437 1217 HE1 TRP 158 HE1 TRP 158 119.198 -9.907 4.940 1218 HE3 TRP 158 HE3 TRP 158 118.260 -12.722 0.539 1219 HZ2 TRP 158 HZ2 TRP 158 116.586 -11.071 4.917 1220 HZ3 TRP 158 HZ3 TRP 158 115.977 -13.310 1.303 1221 HH2 TRP 158 HH2 TRP 158 115.136 -12.490 3.486 1222 H GLN 159 HN GLN 159 121.989 -14.333 -0.056 1223 HA GLN 159 HA GLN 159 124.082 -13.370 -1.961 1224 1HB GLN 159 HB2 GLN 159 123.788 -16.140 -0.763 1225 2HB GLN 159 HB1 GLN 159 124.840 -15.766 -2.129 1226 1HG GLN 159 HG2 GLN 159 125.795 -13.905 -0.558 1227 2HG GLN 159 HG1 GLN 159 125.070 -14.866 0.731 1228 1HE2 GLN 159 HE22 GLN 159 128.083 -16.609 -1.475 1229 2HE2 GLN 159 HE21 GLN 159 127.066 -15.478 -2.225 1230 H LYS 160 HN LYS 160 123.750 -13.997 -4.136 1231 HA LYS 160 HA LYS 160 120.988 -14.457 -4.891 1232 1HB LYS 160 HB2 LYS 160 122.835 -13.168 -6.186 1233 2HB LYS 160 HB1 LYS 160 123.340 -14.759 -6.754 1234 1HG LYS 160 HG2 LYS 160 121.302 -15.144 -7.870 1235 2HG LYS 160 HG1 LYS 160 120.459 -13.898 -6.949 1236 1HD LYS 160 HD2 LYS 160 121.990 -12.199 -8.046 1237 2HD LYS 160 HD1 LYS 160 122.541 -13.494 -9.108 1238 1HE LYS 160 HE2 LYS 160 120.212 -13.869 -9.852 1239 2HE LYS 160 HE1 LYS 160 119.674 -12.554 -8.807 1240 1HZ LYS 160 HZ2 LYS 160 121.290 -11.117 -10.050 1241 2HZ LYS 160 HZ1 LYS 160 121.453 -12.386 -11.169 1242 3HZ LYS 160 HZ3 LYS 160 119.944 -11.643 -10.945 1243 H LYS 161 HN LYS 161 120.001 -16.397 -5.117 1244 HA LYS 161 HA LYS 161 121.377 -18.875 -4.606 1245 1HB LYS 161 HB2 LYS 161 119.205 -19.919 -5.305 1246 2HB LYS 161 HB1 LYS 161 119.010 -18.661 -4.084 1247 1HG LYS 161 HG2 LYS 161 118.201 -17.093 -5.657 1248 2HG LYS 161 HG1 LYS 161 118.805 -18.028 -7.026 1249 1HD LYS 161 HD2 LYS 161 116.420 -18.369 -6.926 1250 2HD LYS 161 HD1 LYS 161 117.186 -19.858 -6.372 1251 1HE LYS 161 HE2 LYS 161 116.880 -19.131 -4.024 1252 2HE LYS 161 HE1 LYS 161 116.081 -17.665 -4.593 1253 1HZ LYS 161 HZ2 LYS 161 114.520 -19.227 -5.805 1254 2HZ LYS 161 HZ1 LYS 161 115.162 -20.466 -4.835 1255 3HZ LYS 161 HZ3 LYS 161 114.363 -19.155 -4.115 1256 H ALA 162 HN ALA 162 121.634 -20.662 -6.129 1257 HA ALA 162 HA ALA 162 121.291 -20.325 -8.969 1258 1HB ALA 162 HB1 ALA 162 124.032 -19.815 -7.795 1259 2HB ALA 162 HB3 ALA 162 123.802 -20.313 -9.471 1260 3HB ALA 162 HB2 ALA 162 123.120 -18.789 -8.903 1261 1HN2 MTX 170 1HN2 MTX 170 127.407 -1.275 7.834 1262 2HN2 MTX 170 2HN2 MTX 170 127.000 -1.636 6.227 1263 1HN4 MTX 170 1HN4 MTX 170 127.545 1.559 2.791 1264 2HN4 MTX 170 2HN4 MTX 170 128.158 3.100 3.152 1265 H7 MTX 170 H7 MTX 170 129.823 5.236 8.386 1266 1H9 MTX 170 H91 MTX 170 128.917 6.831 5.427 1267 2H9 MTX 170 H92 MTX 170 130.557 6.252 5.124 1268 1HM MTX 170 HM1 MTX 170 130.091 9.171 7.440 1269 2HM MTX 170 HM2 MTX 170 129.066 8.059 8.396 1270 3HM MTX 170 HM3 MTX 170 128.639 8.434 6.699 1271 H12 MTX 170 H13 MTX 170 133.148 7.201 10.568 1272 H13 MTX 170 H12 MTX 170 130.941 7.674 9.504 1273 H15 MTX 170 H16 MTX 170 132.406 6.030 5.766 1274 H16 MTX 170 H15 MTX 170 134.607 5.563 6.841 1275 HN MTX 170 HN MTX 170 135.380 4.233 8.506 1276 HA MTX 170 HA MTX 170 137.844 5.300 9.409 1277 1HB MTX 170 HB1 MTX 170 136.794 5.394 11.631 1278 2HB MTX 170 HB2 MTX 170 137.983 4.102 11.643 1279 1HG MTX 170 HG1 MTX 170 135.249 3.280 10.730 1280 2HG MTX 170 HG2 MTX 170 135.344 3.779 12.417 1281 HN1 MTX 170 H1N MTX 170 128.252 0.810 8.404 No H/Q in entry = 1281 Start of MODEL 9 1 1H THR 1 HT3 THR 1 132.411 -8.184 -7.192 2 2H THR 1 HT2 THR 1 132.632 -7.213 -8.568 3 3H THR 1 HT1 THR 1 132.797 -6.542 -7.015 4 HA THR 1 HA THR 1 130.705 -5.830 -7.719 5 HB THR 1 HB THR 1 129.054 -7.574 -8.590 6 HG1 THR 1 HG1 THR 1 131.459 -9.034 -8.931 7 1HG2 THR 1 HG21 THR 1 130.507 -5.922 -9.956 8 2HG2 THR 1 HG23 THR 1 131.481 -7.336 -10.357 9 3HG2 THR 1 HG22 THR 1 129.779 -7.280 -10.812 10 H ALA 2 HN ALA 2 130.475 -5.498 -5.480 11 HA ALA 2 HA ALA 2 128.909 -7.598 -4.074 12 1HB ALA 2 HB3 ALA 2 131.352 -7.768 -3.426 13 2HB ALA 2 HB2 ALA 2 131.218 -6.140 -2.761 14 3HB ALA 2 HB1 ALA 2 130.257 -7.452 -2.081 15 H PHE 3 HN PHE 3 127.293 -6.731 -2.796 16 HA PHE 3 HA PHE 3 127.096 -3.752 -2.765 17 1HB PHE 3 HB2 PHE 3 125.129 -5.973 -2.959 18 2HB PHE 3 HB1 PHE 3 124.633 -4.578 -2.003 19 HD1 PHE 3 HD1 PHE 3 126.671 -4.968 -5.140 20 HD2 PHE 3 HD2 PHE 3 123.261 -3.174 -3.240 21 HE1 PHE 3 HE1 PHE 3 126.176 -3.706 -7.217 22 HE2 PHE 3 HE2 PHE 3 122.767 -1.912 -5.316 23 HZ PHE 3 HZ PHE 3 124.225 -2.177 -7.305 24 H LEU 4 HN LEU 4 127.652 -2.849 -0.849 25 HA LEU 4 HA LEU 4 126.884 -4.270 1.664 26 1HB LEU 4 HB2 LEU 4 129.323 -4.564 1.216 27 2HB LEU 4 HB1 LEU 4 129.504 -2.811 1.194 28 HG LEU 4 HG LEU 4 128.365 -2.913 3.545 29 1HD1 LEU 4 HD11 LEU 4 129.135 -5.766 2.998 30 2HD1 LEU 4 HD13 LEU 4 129.214 -5.137 4.644 31 3HD1 LEU 4 HD12 LEU 4 127.681 -5.137 3.773 32 1HD2 LEU 4 HD23 LEU 4 131.191 -3.746 2.878 33 2HD2 LEU 4 HD22 LEU 4 130.613 -2.167 3.408 34 3HD2 LEU 4 HD21 LEU 4 130.670 -3.513 4.547 35 H TRP 5 HN TRP 5 125.452 -2.951 2.687 36 HA TRP 5 HA TRP 5 126.132 -0.113 3.053 37 1HB TRP 5 HB2 TRP 5 124.067 0.759 2.130 38 2HB TRP 5 HB1 TRP 5 124.859 -0.207 0.890 39 HD1 TRP 5 HD1 TRP 5 121.630 0.241 2.557 40 HE1 TRP 5 HE1 TRP 5 120.033 -1.713 2.043 41 HE3 TRP 5 HE3 TRP 5 124.933 -3.100 0.544 42 HZ2 TRP 5 HZ2 TRP 5 120.139 -4.342 0.931 43 HZ3 TRP 5 HZ3 TRP 5 124.156 -5.320 -0.227 44 HH2 TRP 5 HH2 TRP 5 121.765 -5.945 -0.040 45 H ALA 6 HN ALA 6 124.603 0.930 4.630 46 HA ALA 6 HA ALA 6 123.464 -1.121 6.492 47 1HB ALA 6 HB1 ALA 6 125.511 0.228 7.257 48 2HB ALA 6 HB3 ALA 6 124.438 1.627 7.293 49 3HB ALA 6 HB2 ALA 6 124.116 0.241 8.335 50 H GLN 7 HN GLN 7 121.325 -0.890 7.004 51 HA GLN 7 HA GLN 7 120.007 1.734 6.573 52 1HB GLN 7 HB2 GLN 7 118.141 0.597 5.342 53 2HB GLN 7 HB1 GLN 7 119.666 0.586 4.456 54 1HG GLN 7 HG2 GLN 7 120.094 -1.693 5.022 55 2HG GLN 7 HG1 GLN 7 118.815 -1.705 6.237 56 1HE2 GLN 7 HE22 GLN 7 116.197 -2.184 3.864 57 2HE2 GLN 7 HE21 GLN 7 116.556 -1.703 5.452 58 H ASP 8 HN ASP 8 117.614 1.518 7.353 59 HA ASP 8 HA ASP 8 117.614 -0.161 9.829 60 1HB ASP 8 HB2 ASP 8 115.991 1.562 10.708 61 2HB ASP 8 HB1 ASP 8 117.613 2.185 10.411 62 H ARG 9 HN ARG 9 115.020 -0.174 10.534 63 HA ARG 9 HA ARG 9 113.812 -2.017 8.704 64 1HB ARG 9 HB2 ARG 9 111.771 -1.714 10.155 65 2HB ARG 9 HB1 ARG 9 113.234 -2.129 11.047 66 1HG ARG 9 HG2 ARG 9 113.440 -0.015 11.970 67 2HG ARG 9 HG1 ARG 9 112.606 0.767 10.628 68 1HD ARG 9 HD2 ARG 9 111.110 -1.145 12.398 69 2HD ARG 9 HD1 ARG 9 111.372 0.516 12.928 70 HE ARG 9 HE ARG 9 110.371 0.618 10.279 71 1HH1 ARG 9 HH11 ARG 9 109.326 -0.364 13.469 72 2HH1 ARG 9 HH12 ARG 9 107.663 -0.027 13.138 73 1HH2 ARG 9 HH21 ARG 9 108.207 1.041 9.894 74 2HH2 ARG 9 HH22 ARG 9 107.034 0.760 11.137 75 H ASP 10 HN ASP 10 113.633 1.468 9.007 76 HA ASP 10 HA ASP 10 111.223 1.774 7.414 77 1HB ASP 10 HB2 ASP 10 113.385 3.632 8.383 78 2HB ASP 10 HB1 ASP 10 112.204 4.186 7.197 79 H GLY 11 HN GLY 11 114.705 1.800 6.751 80 1HA GLY 11 HA2 GLY 11 115.449 0.915 4.556 81 2HA GLY 11 HA1 GLY 11 114.049 1.709 3.835 82 H LEU 12 HN LEU 12 116.016 3.246 6.304 83 HA LEU 12 HA LEU 12 116.697 5.377 4.357 84 1HB LEU 12 HB2 LEU 12 115.728 5.731 6.763 85 2HB LEU 12 HB1 LEU 12 117.389 5.450 7.284 86 HG LEU 12 HG LEU 12 118.060 7.215 5.541 87 1HD1 LEU 12 HD13 LEU 12 115.086 7.778 5.759 88 2HD1 LEU 12 HD12 LEU 12 116.266 8.834 4.982 89 3HD1 LEU 12 HD11 LEU 12 115.934 7.239 4.309 90 1HD2 LEU 12 HD21 LEU 12 117.954 7.544 8.045 91 2HD2 LEU 12 HD23 LEU 12 117.687 9.016 7.112 92 3HD2 LEU 12 HD22 LEU 12 116.319 8.169 7.833 93 H ILE 13 HN ILE 13 118.887 6.072 4.062 94 HA ILE 13 HA ILE 13 121.027 4.370 5.211 95 HB ILE 13 HB ILE 13 122.016 4.049 2.926 96 1HG1 ILE 13 HG12 ILE 13 119.294 4.771 1.846 97 2HG1 ILE 13 HG11 ILE 13 120.547 6.002 2.016 98 1HG2 ILE 13 HG21 ILE 13 120.570 2.335 4.106 99 2HG2 ILE 13 HG23 ILE 13 119.211 2.925 3.148 100 3HG2 ILE 13 HG22 ILE 13 120.600 2.188 2.348 101 1HD1 ILE 13 HD11 ILE 13 121.108 3.392 0.613 102 2HD1 ILE 13 HD13 ILE 13 120.397 4.756 -0.248 103 3HD1 ILE 13 HD12 ILE 13 121.989 4.915 0.493 104 H GLY 14 HN GLY 14 120.187 7.192 5.487 105 1HA GLY 14 HA2 GLY 14 122.513 8.573 5.771 106 2HA GLY 14 HA1 GLY 14 122.219 8.751 4.041 107 H LYS 15 HN LYS 15 122.230 10.971 5.779 108 HA LYS 15 HA LYS 15 119.593 12.079 5.207 109 1HB LYS 15 HB2 LYS 15 119.291 10.822 7.393 110 2HB LYS 15 HB1 LYS 15 120.444 11.947 8.111 111 1HG LYS 15 HG2 LYS 15 118.963 13.833 7.293 112 2HG LYS 15 HG1 LYS 15 117.765 12.609 6.865 113 1HD LYS 15 HD2 LYS 15 117.412 11.987 9.103 114 2HD LYS 15 HD1 LYS 15 118.945 12.680 9.635 115 1HE LYS 15 HE2 LYS 15 118.121 14.851 9.640 116 2HE LYS 15 HE1 LYS 15 116.889 14.497 8.429 117 1HZ LYS 15 HZ3 LYS 15 115.714 13.170 10.085 118 2HZ LYS 15 HZ2 LYS 15 116.886 13.565 11.249 119 3HZ LYS 15 HZ1 LYS 15 115.892 14.777 10.596 120 H ASP 16 HN ASP 16 120.053 14.108 4.536 121 HA ASP 16 HA ASP 16 121.117 16.187 4.327 122 1HB ASP 16 HB2 ASP 16 121.315 15.513 7.217 123 2HB ASP 16 HB1 ASP 16 122.382 16.790 6.635 124 H GLY 17 HN GLY 17 122.588 13.625 3.756 125 1HA GLY 17 HA2 GLY 17 124.741 13.448 2.692 126 2HA GLY 17 HA1 GLY 17 125.294 14.832 3.635 127 H HIS 18 HN HIS 18 124.567 14.011 6.213 128 HA HIS 18 HA HIS 18 126.524 11.815 6.638 129 1HB HIS 18 HB2 HIS 18 126.431 12.571 9.031 130 2HB HIS 18 HB1 HIS 18 126.954 13.837 7.919 131 HD1 HIS 18 HD1 HIS 18 123.785 12.651 9.672 132 HD2 HIS 18 HD2 HIS 18 125.377 16.121 7.999 133 HE1 HIS 18 HE1 HIS 18 122.147 14.512 10.188 134 H LEU 19 HN LEU 19 125.888 10.448 8.713 135 HA LEU 19 HA LEU 19 123.336 9.157 8.063 136 1HB LEU 19 HB2 LEU 19 125.609 8.557 9.947 137 2HB LEU 19 HB1 LEU 19 124.081 7.685 10.084 138 HG LEU 19 HG LEU 19 125.573 7.931 7.466 139 1HD1 LEU 19 HD13 LEU 19 125.940 6.034 9.757 140 2HD1 LEU 19 HD12 LEU 19 126.101 5.420 8.112 141 3HD1 LEU 19 HD11 LEU 19 127.148 6.722 8.674 142 1HD2 LEU 19 HD23 LEU 19 123.259 6.325 8.534 143 2HD2 LEU 19 HD22 LEU 19 123.358 7.264 7.045 144 3HD2 LEU 19 HD21 LEU 19 124.205 5.723 7.173 145 HA PRO 20 HA PRO 20 120.977 11.170 11.267 146 1HB PRO 20 HB2 PRO 20 119.006 9.209 11.526 147 2HB PRO 20 HB1 PRO 20 119.010 10.520 10.338 148 1HG PRO 20 HG2 PRO 20 119.343 7.701 9.890 149 2HG PRO 20 HG1 PRO 20 119.251 9.005 8.699 150 1HD PRO 20 HD2 PRO 20 121.596 7.565 9.645 151 2HD PRO 20 HD1 PRO 20 121.448 8.691 8.287 152 H TRP 21 HN TRP 21 121.970 7.812 11.674 153 HA TRP 21 HA TRP 21 121.693 8.119 14.634 154 1HB TRP 21 HB2 TRP 21 121.886 5.617 14.672 155 2HB TRP 21 HB1 TRP 21 120.476 6.194 13.786 156 HD1 TRP 21 HD1 TRP 21 124.038 4.875 13.164 157 HE1 TRP 21 HE1 TRP 21 124.117 3.827 10.809 158 HE3 TRP 21 HE3 TRP 21 119.351 6.055 11.514 159 HZ2 TRP 21 HZ2 TRP 21 122.418 3.528 8.529 160 HZ3 TRP 21 HZ3 TRP 21 118.608 5.376 9.249 161 HH2 TRP 21 HH2 TRP 21 120.134 4.117 7.756 162 H HIS 22 HN HIS 22 123.480 6.428 15.640 163 HA HIS 22 HA HIS 22 126.103 6.944 14.331 164 1HB HIS 22 HB2 HIS 22 125.603 8.742 16.051 165 2HB HIS 22 HB1 HIS 22 125.612 7.472 17.274 166 HD1 HIS 22 HD1 HIS 22 127.847 9.566 15.195 167 HD2 HIS 22 HD2 HIS 22 128.203 6.169 17.585 168 HE1 HIS 22 HE1 HIS 22 130.324 9.237 15.606 169 H LEU 23 HN LEU 23 126.823 4.885 14.038 170 HA LEU 23 HA LEU 23 126.770 3.055 16.396 171 1HB LEU 23 HB2 LEU 23 125.006 2.560 14.571 172 2HB LEU 23 HB1 LEU 23 126.375 2.054 13.580 173 HG LEU 23 HG LEU 23 127.062 0.499 15.424 174 1HD1 LEU 23 HD11 LEU 23 124.507 1.588 16.606 175 2HD1 LEU 23 HD13 LEU 23 125.113 -0.008 17.055 176 3HD1 LEU 23 HD12 LEU 23 126.090 1.427 17.369 177 1HD2 LEU 23 HD21 LEU 23 125.302 0.073 13.438 178 2HD2 LEU 23 HD23 LEU 23 125.702 -1.177 14.616 179 3HD2 LEU 23 HD22 LEU 23 124.232 -0.219 14.809 180 HA PRO 24 HA PRO 24 131.117 3.119 14.997 181 1HB PRO 24 HB2 PRO 24 132.028 2.158 17.480 182 2HB PRO 24 HB1 PRO 24 131.970 3.848 16.966 183 1HG PRO 24 HG2 PRO 24 130.403 2.567 18.979 184 2HG PRO 24 HG1 PRO 24 130.342 4.255 18.454 185 1HD PRO 24 HD2 PRO 24 128.507 2.071 17.833 186 2HD PRO 24 HD1 PRO 24 128.297 3.812 17.589 187 H ASP 25 HN ASP 25 129.326 0.543 16.585 188 HA ASP 25 HA ASP 25 131.215 -1.575 16.176 189 1HB ASP 25 HB2 ASP 25 129.207 -1.708 17.674 190 2HB ASP 25 HB1 ASP 25 128.189 -1.782 16.235 191 H ASP 26 HN ASP 26 128.652 -0.209 14.145 192 HA ASP 26 HA ASP 26 128.888 -2.204 12.056 193 1HB ASP 26 HB2 ASP 26 126.877 -0.729 12.419 194 2HB ASP 26 HB1 ASP 26 127.830 0.628 11.819 195 H LEU 27 HN LEU 27 130.480 0.844 12.778 196 HA LEU 27 HA LEU 27 131.675 1.272 10.202 197 1HB LEU 27 HB2 LEU 27 132.322 2.182 13.001 198 2HB LEU 27 HB1 LEU 27 133.411 2.554 11.665 199 HG LEU 27 HG LEU 27 130.467 3.117 11.408 200 1HD1 LEU 27 HD13 LEU 27 132.544 4.705 12.911 201 2HD1 LEU 27 HD12 LEU 27 131.178 5.507 12.135 202 3HD1 LEU 27 HD11 LEU 27 130.896 4.308 13.398 203 1HD2 LEU 27 HD21 LEU 27 132.260 3.221 9.523 204 2HD2 LEU 27 HD23 LEU 27 131.159 4.587 9.699 205 3HD2 LEU 27 HD22 LEU 27 132.801 4.694 10.331 206 H HIS 28 HN HIS 28 132.611 -0.651 13.012 207 HA HIS 28 HA HIS 28 135.296 -1.229 12.216 208 1HB HIS 28 HB2 HIS 28 133.322 -2.833 13.866 209 2HB HIS 28 HB1 HIS 28 135.028 -3.246 13.696 210 HD1 HIS 28 HD1 HIS 28 136.368 -0.539 13.925 211 HD2 HIS 28 HD2 HIS 28 133.201 -1.682 16.383 212 HE1 HIS 28 HE1 HIS 28 136.518 0.902 16.003 213 H TYR 29 HN TYR 29 132.232 -2.951 11.596 214 HA TYR 29 HA TYR 29 133.387 -5.107 10.107 215 1HB TYR 29 HB2 TYR 29 131.004 -4.924 11.056 216 2HB TYR 29 HB1 TYR 29 130.630 -3.969 9.621 217 HD1 TYR 29 HD2 TYR 29 132.442 -7.150 10.475 218 HD2 TYR 29 HD1 TYR 29 129.761 -5.122 7.800 219 HE1 TYR 29 HE2 TYR 29 132.185 -9.233 9.153 220 HE2 TYR 29 HE1 TYR 29 129.504 -7.205 6.479 221 HH TYR 29 HH TYR 29 131.384 -9.533 6.336 222 H PHE 30 HN PHE 30 132.434 -1.840 9.228 223 HA PHE 30 HA PHE 30 132.475 -2.191 6.377 224 1HB PHE 30 HB2 PHE 30 131.496 -0.215 7.598 225 2HB PHE 30 HB1 PHE 30 133.142 0.331 7.921 226 HD1 PHE 30 HD2 PHE 30 131.090 -0.901 5.024 227 HD2 PHE 30 HD1 PHE 30 134.078 1.848 6.428 228 HE1 PHE 30 HE2 PHE 30 131.190 0.139 2.775 229 HE2 PHE 30 HE1 PHE 30 134.178 2.888 4.179 230 HZ PHE 30 HZ PHE 30 132.733 2.034 2.352 231 H ARG 31 HN ARG 31 134.986 -1.654 8.773 232 HA ARG 31 HA ARG 31 137.048 -1.032 6.794 233 1HB ARG 31 HB2 ARG 31 137.083 -0.232 9.193 234 2HB ARG 31 HB1 ARG 31 137.420 -1.894 9.676 235 1HG ARG 31 HG2 ARG 31 139.440 -1.887 8.233 236 2HG ARG 31 HG1 ARG 31 139.116 -0.204 7.814 237 1HD ARG 31 HD2 ARG 31 140.679 -0.058 9.583 238 2HD ARG 31 HD1 ARG 31 139.124 0.232 10.363 239 HE ARG 31 HE ARG 31 139.474 -2.510 10.574 240 1HH1 ARG 31 HH11 ARG 31 141.361 0.298 11.464 241 2HH1 ARG 31 HH12 ARG 31 142.104 -0.501 12.804 242 1HH2 ARG 31 HH21 ARG 31 140.461 -3.505 12.318 243 2HH2 ARG 31 HH22 ARG 31 141.602 -2.632 13.285 244 H ALA 32 HN ALA 32 135.969 -3.877 8.604 245 HA ALA 32 HA ALA 32 138.147 -5.592 7.817 246 1HB ALA 32 HB1 ALA 32 136.556 -6.037 9.721 247 2HB ALA 32 HB3 ALA 32 135.315 -6.415 8.525 248 3HB ALA 32 HB2 ALA 32 136.768 -7.409 8.633 249 H GLN 33 HN GLN 33 135.139 -4.630 6.286 250 HA GLN 33 HA GLN 33 135.595 -6.602 4.100 251 1HB GLN 33 HB2 GLN 33 133.218 -4.879 4.842 252 2HB GLN 33 HB1 GLN 33 133.300 -5.813 3.347 253 1HG GLN 33 HG2 GLN 33 133.768 -7.091 6.043 254 2HG GLN 33 HG1 GLN 33 132.150 -6.937 5.358 255 1HE2 GLN 33 HE22 GLN 33 134.209 -10.076 4.227 256 2HE2 GLN 33 HE21 GLN 33 134.331 -9.264 5.712 257 H THR 34 HN THR 34 137.423 -4.466 4.259 258 HA THR 34 HA THR 34 136.889 -3.153 1.665 259 HB THR 34 HB THR 34 137.656 -0.929 2.707 260 HG1 THR 34 HG1 THR 34 136.736 -2.238 5.043 261 1HG2 THR 34 HG22 THR 34 134.977 -2.111 3.487 262 2HG2 THR 34 HG21 THR 34 135.356 -0.390 3.454 263 3HG2 THR 34 HG23 THR 34 135.354 -1.321 1.957 264 H VAL 35 HN VAL 35 139.136 -3.468 4.424 265 HA VAL 35 HA VAL 35 141.503 -2.693 3.051 266 HB VAL 35 HB VAL 35 142.697 -4.001 4.809 267 1HG1 VAL 35 HG11 VAL 35 140.443 -2.130 5.474 268 2HG1 VAL 35 HG13 VAL 35 141.401 -2.835 6.776 269 3HG1 VAL 35 HG12 VAL 35 142.182 -1.844 5.542 270 1HG2 VAL 35 HG23 VAL 35 139.971 -5.157 5.079 271 2HG2 VAL 35 HG22 VAL 35 141.541 -5.899 5.380 272 3HG2 VAL 35 HG21 VAL 35 140.825 -4.833 6.587 273 H GLY 36 HN GLY 36 142.250 -3.615 1.215 274 1HA GLY 36 HA2 GLY 36 143.346 -5.442 0.071 275 2HA GLY 36 HA1 GLY 36 142.459 -6.576 1.090 276 H LYS 37 HN LYS 37 140.880 -3.857 -0.468 277 HA LYS 37 HA LYS 37 139.871 -5.518 -2.682 278 1HB LYS 37 HB2 LYS 37 137.991 -4.375 -0.591 279 2HB LYS 37 HB1 LYS 37 137.512 -5.219 -2.064 280 1HG LYS 37 HG2 LYS 37 138.837 -7.211 -1.247 281 2HG LYS 37 HG1 LYS 37 139.038 -6.365 0.288 282 1HD LYS 37 HD2 LYS 37 136.496 -6.145 0.349 283 2HD LYS 37 HD1 LYS 37 136.459 -7.295 -0.988 284 1HE LYS 37 HE2 LYS 37 136.199 -8.485 1.140 285 2HE LYS 37 HE1 LYS 37 137.739 -8.914 0.394 286 1HZ LYS 37 HZ1 LYS 37 137.540 -6.703 2.342 287 2HZ LYS 37 HZ3 LYS 37 137.737 -8.308 2.855 288 3HZ LYS 37 HZ2 LYS 37 138.915 -7.582 1.870 289 H ILE 38 HN ILE 38 137.900 -3.992 -3.671 290 HA ILE 38 HA ILE 38 139.181 -1.309 -3.994 291 HB ILE 38 HB ILE 38 137.305 -2.747 -5.898 292 1HG1 ILE 38 HG12 ILE 38 140.302 -2.365 -6.146 293 2HG1 ILE 38 HG11 ILE 38 139.566 -3.848 -5.536 294 1HG2 ILE 38 HG21 ILE 38 139.050 -0.284 -6.208 295 2HG2 ILE 38 HG23 ILE 38 138.104 -1.028 -7.497 296 3HG2 ILE 38 HG22 ILE 38 137.289 -0.297 -6.113 297 1HD1 ILE 38 HD11 ILE 38 138.643 -2.706 -8.157 298 2HD1 ILE 38 HD13 ILE 38 140.132 -3.649 -8.094 299 3HD1 ILE 38 HD12 ILE 38 138.604 -4.378 -7.598 300 H MET 39 HN MET 39 138.102 0.068 -2.639 301 HA MET 39 HA MET 39 135.230 -0.243 -2.124 302 1HB MET 39 HB2 MET 39 137.144 0.660 -0.535 303 2HB MET 39 HB1 MET 39 136.777 2.196 -1.319 304 1HG MET 39 HG2 MET 39 134.370 1.871 -0.738 305 2HG MET 39 HG1 MET 39 134.811 0.408 0.142 306 1HE MET 39 HE3 MET 39 135.604 3.812 -0.650 307 2HE MET 39 HE2 MET 39 135.026 4.661 0.781 308 3HE MET 39 HE1 MET 39 136.749 4.353 0.585 309 H VAL 40 HN VAL 40 133.666 0.703 -3.327 310 HA VAL 40 HA VAL 40 134.449 2.962 -5.126 311 HB VAL 40 HB VAL 40 132.191 0.976 -5.519 312 1HG1 VAL 40 HG13 VAL 40 132.040 3.306 -6.553 313 2HG1 VAL 40 HG12 VAL 40 133.454 2.870 -7.513 314 3HG1 VAL 40 HG11 VAL 40 131.954 1.958 -7.687 315 1HG2 VAL 40 HG21 VAL 40 134.998 1.089 -6.659 316 2HG2 VAL 40 HG23 VAL 40 134.274 -0.223 -5.731 317 3HG2 VAL 40 HG22 VAL 40 133.705 0.118 -7.365 318 H VAL 41 HN VAL 41 133.593 4.862 -4.468 319 HA VAL 41 HA VAL 41 130.866 4.844 -3.251 320 HB VAL 41 HB VAL 41 131.648 6.659 -1.706 321 1HG1 VAL 41 HG12 VAL 41 132.679 3.854 -1.659 322 2HG1 VAL 41 HG11 VAL 41 133.296 4.975 -0.445 323 3HG1 VAL 41 HG13 VAL 41 131.564 4.658 -0.554 324 1HG2 VAL 41 HG21 VAL 41 133.648 7.209 -3.216 325 2HG2 VAL 41 HG23 VAL 41 133.977 7.150 -1.484 326 3HG2 VAL 41 HG22 VAL 41 134.435 5.795 -2.516 327 H GLY 42 HN GLY 42 129.818 7.024 -3.398 328 1HA GLY 42 HA2 GLY 42 130.431 8.246 -6.018 329 2HA GLY 42 HA1 GLY 42 128.981 8.537 -5.054 330 H ARG 43 HN ARG 43 129.489 10.855 -5.540 331 HA ARG 43 HA ARG 43 131.837 12.005 -4.188 332 1HB ARG 43 HB2 ARG 43 130.572 12.795 -6.399 333 2HB ARG 43 HB1 ARG 43 129.609 13.704 -5.233 334 1HG ARG 43 HG2 ARG 43 131.427 14.976 -4.517 335 2HG ARG 43 HG1 ARG 43 132.605 13.771 -5.040 336 1HD ARG 43 HD2 ARG 43 132.573 15.780 -6.519 337 2HD ARG 43 HD1 ARG 43 132.163 14.297 -7.382 338 HE ARG 43 HE ARG 43 130.004 15.165 -7.737 339 1HH1 ARG 43 HH11 ARG 43 131.604 16.934 -5.178 340 2HH1 ARG 43 HH12 ARG 43 130.339 18.107 -5.061 341 1HH2 ARG 43 HH21 ARG 43 128.389 16.702 -7.550 342 2HH2 ARG 43 HH22 ARG 43 128.538 17.979 -6.388 343 H ARG 44 HN ARG 44 128.302 11.970 -3.781 344 HA ARG 44 HA ARG 44 128.221 13.714 -1.509 345 1HB ARG 44 HB2 ARG 44 126.304 12.685 -3.045 346 2HB ARG 44 HB1 ARG 44 126.255 11.473 -1.764 347 1HG ARG 44 HG2 ARG 44 125.476 12.959 -0.197 348 2HG ARG 44 HG1 ARG 44 126.349 14.321 -0.903 349 1HD ARG 44 HD2 ARG 44 124.145 14.848 -1.459 350 2HD ARG 44 HD1 ARG 44 124.675 13.989 -2.905 351 HE ARG 44 HE ARG 44 123.169 12.261 -2.367 352 1HH1 ARG 44 HH11 ARG 44 123.720 14.291 0.429 353 2HH1 ARG 44 HH12 ARG 44 122.501 13.501 1.367 354 1HH2 ARG 44 HH21 ARG 44 121.601 11.270 -1.117 355 2HH2 ARG 44 HH22 ARG 44 121.312 11.811 0.503 356 H THR 45 HN THR 45 128.699 10.222 -1.842 357 HA THR 45 HA THR 45 128.605 9.715 1.025 358 HB THR 45 HB THR 45 129.846 7.987 -1.136 359 HG1 THR 45 HG1 THR 45 127.886 7.816 -1.829 360 1HG2 THR 45 HG21 THR 45 129.119 7.656 1.729 361 2HG2 THR 45 HG23 THR 45 128.770 6.297 0.661 362 3HG2 THR 45 HG22 THR 45 130.419 6.905 0.803 363 H TYR 46 HN TYR 46 131.245 9.815 -1.391 364 HA TYR 46 HA TYR 46 133.389 9.477 0.447 365 1HB TYR 46 HB2 TYR 46 133.546 9.351 -2.066 366 2HB TYR 46 HB1 TYR 46 133.463 11.112 -2.101 367 HD1 TYR 46 HD2 TYR 46 135.255 8.614 0.069 368 HD2 TYR 46 HD1 TYR 46 135.550 12.065 -2.475 369 HE1 TYR 46 HE2 TYR 46 137.688 8.745 0.527 370 HE2 TYR 46 HE1 TYR 46 137.983 12.194 -2.017 371 HH TYR 46 HH TYR 46 139.598 11.476 -0.426 372 H GLU 47 HN GLU 47 131.443 12.283 -0.318 373 HA GLU 47 HA GLU 47 133.281 14.235 0.794 374 1HB GLU 47 HB2 GLU 47 130.415 14.243 -0.088 375 2HB GLU 47 HB1 GLU 47 131.007 15.580 0.899 376 1HG GLU 47 HG2 GLU 47 132.478 14.643 -1.569 377 2HG GLU 47 HG1 GLU 47 131.203 15.860 -1.647 378 H SER 48 HN SER 48 130.940 12.041 2.155 379 HA SER 48 HA SER 48 130.865 13.547 4.710 380 1HB SER 48 HB2 SER 48 129.303 11.620 5.362 381 2HB SER 48 HB1 SER 48 128.726 12.704 4.101 382 HG SER 48 HG SER 48 128.719 10.243 3.823 383 H PHE 49 HN PHE 49 133.316 12.124 3.654 384 HA PHE 49 HA PHE 49 133.656 9.857 5.496 385 1HB PHE 49 HB2 PHE 49 135.288 11.148 3.332 386 2HB PHE 49 HB1 PHE 49 136.102 10.132 4.517 387 HD1 PHE 49 HD1 PHE 49 132.630 9.688 3.177 388 HD2 PHE 49 HD2 PHE 49 136.676 8.236 3.218 389 HE1 PHE 49 HE1 PHE 49 131.917 7.663 1.938 390 HE2 PHE 49 HE2 PHE 49 135.958 6.213 1.979 391 HZ PHE 49 HZ PHE 49 133.580 5.925 1.341 392 HA PRO 50 HA PRO 50 135.545 12.260 8.741 393 1HB PRO 50 HB2 PRO 50 137.109 10.227 9.849 394 2HB PRO 50 HB1 PRO 50 135.406 10.536 10.214 395 1HG PRO 50 HG2 PRO 50 136.554 8.310 8.806 396 2HG PRO 50 HG1 PRO 50 134.864 8.581 9.251 397 1HD PRO 50 HD2 PRO 50 136.141 8.903 6.654 398 2HD PRO 50 HD1 PRO 50 134.418 8.914 7.059 399 H LYS 51 HN LYS 51 137.969 9.924 7.500 400 HA LYS 51 HA LYS 51 139.879 12.218 7.250 401 1HB LYS 51 HB2 LYS 51 140.381 10.487 9.061 402 2HB LYS 51 HB1 LYS 51 140.643 9.333 7.755 403 1HG LYS 51 HG2 LYS 51 142.111 11.644 7.036 404 2HG LYS 51 HG1 LYS 51 142.427 11.391 8.751 405 1HD LYS 51 HD2 LYS 51 143.125 9.098 8.339 406 2HD LYS 51 HD1 LYS 51 142.672 9.230 6.639 407 1HE LYS 51 HE2 LYS 51 144.331 11.324 6.755 408 2HE LYS 51 HE1 LYS 51 145.030 10.373 8.067 409 1HZ LYS 51 HZ3 LYS 51 144.453 9.254 5.383 410 2HZ LYS 51 HZ2 LYS 51 145.956 9.923 5.805 411 3HZ LYS 51 HZ1 LYS 51 145.374 8.554 6.623 412 H ARG 52 HN ARG 52 139.445 12.575 5.032 413 HA ARG 52 HA ARG 52 139.608 10.317 3.152 414 1HB ARG 52 HB2 ARG 52 139.325 13.289 2.610 415 2HB ARG 52 HB1 ARG 52 139.094 11.992 1.436 416 1HG ARG 52 HG2 ARG 52 137.129 11.224 2.485 417 2HG ARG 52 HG1 ARG 52 137.506 12.048 3.996 418 1HD ARG 52 HD2 ARG 52 137.380 14.033 1.942 419 2HD ARG 52 HD1 ARG 52 135.946 13.014 1.797 420 HE ARG 52 HE ARG 52 136.341 13.671 4.550 421 1HH1 ARG 52 HH21 ARG 52 135.403 15.135 1.515 422 2HH1 ARG 52 HH22 ARG 52 134.417 16.330 2.281 423 1HH2 ARG 52 HH11 ARG 52 135.055 15.236 5.499 424 2HH2 ARG 52 HH12 ARG 52 134.219 16.389 4.512 425 HA PRO 53 HA PRO 53 140.237 9.582 1.360 426 1HB PRO 53 HB2 PRO 53 142.257 7.943 0.370 427 2HB PRO 53 HB1 PRO 53 141.501 9.277 -0.513 428 1HG PRO 53 HG2 PRO 53 144.194 9.094 0.463 429 2HG PRO 53 HG1 PRO 53 143.446 10.403 -0.463 430 1HD PRO 53 HD2 PRO 53 143.998 10.257 2.412 431 2HD PRO 53 HD1 PRO 53 143.613 11.669 1.414 432 H LEU 54 HN LEU 54 140.615 6.927 1.386 433 HA LEU 54 HA LEU 54 141.069 6.317 4.263 434 1HB LEU 54 HB2 LEU 54 139.435 5.051 2.083 435 2HB LEU 54 HB1 LEU 54 139.923 4.090 3.479 436 HG LEU 54 HG LEU 54 138.492 6.755 3.675 437 1HD1 LEU 54 HD12 LEU 54 137.209 4.775 2.620 438 2HD1 LEU 54 HD11 LEU 54 137.297 4.036 4.219 439 3HD1 LEU 54 HD13 LEU 54 136.465 5.576 4.004 440 1HD2 LEU 54 HD21 LEU 54 139.353 4.633 5.647 441 2HD2 LEU 54 HD23 LEU 54 139.680 6.366 5.693 442 3HD2 LEU 54 HD22 LEU 54 138.055 5.766 6.024 443 HA PRO 55 HA PRO 55 144.832 4.269 2.754 444 1HB PRO 55 HB2 PRO 55 145.827 3.839 5.332 445 2HB PRO 55 HB1 PRO 55 146.156 5.249 4.317 446 1HG PRO 55 HG2 PRO 55 144.624 5.119 6.739 447 2HG PRO 55 HG1 PRO 55 145.006 6.537 5.752 448 1HD PRO 55 HD2 PRO 55 142.511 5.034 5.910 449 2HD PRO 55 HD1 PRO 55 142.823 6.610 5.163 450 H GLU 56 HN GLU 56 145.949 2.129 3.449 451 HA GLU 56 HA GLU 56 145.791 -0.186 3.758 452 1HB GLU 56 HB2 GLU 56 143.512 0.506 5.635 453 2HB GLU 56 HB1 GLU 56 144.454 -0.986 5.620 454 1HG GLU 56 HG2 GLU 56 146.461 0.196 6.269 455 2HG GLU 56 HG1 GLU 56 145.656 1.756 6.093 456 H ARG 57 HN ARG 57 144.132 1.227 1.697 457 HA ARG 57 HA ARG 57 142.706 -1.023 0.690 458 1HB ARG 57 HB2 ARG 57 140.373 -0.187 0.937 459 2HB ARG 57 HB1 ARG 57 141.105 -0.588 2.489 460 1HG ARG 57 HG2 ARG 57 141.806 1.927 2.533 461 2HG ARG 57 HG1 ARG 57 140.549 2.126 1.314 462 1HD ARG 57 HD2 ARG 57 139.119 2.316 3.061 463 2HD ARG 57 HD1 ARG 57 139.288 0.568 3.221 464 HE ARG 57 HE ARG 57 141.440 1.812 4.616 465 1HH1 ARG 57 HH21 ARG 57 137.970 1.419 4.811 466 2HH1 ARG 57 HH22 ARG 57 137.949 1.556 6.533 467 1HH2 ARG 57 HH11 ARG 57 141.366 1.985 6.847 468 2HH2 ARG 57 HH12 ARG 57 139.849 1.873 7.676 469 H THR 58 HN THR 58 141.180 -0.254 -1.184 470 HA THR 58 HA THR 58 142.565 2.014 -2.542 471 HB THR 58 HB THR 58 140.749 0.032 -3.906 472 HG1 THR 58 HG1 THR 58 142.724 -1.154 -4.291 473 1HG2 THR 58 HG22 THR 58 143.182 1.615 -4.785 474 2HG2 THR 58 HG21 THR 58 142.230 0.547 -5.816 475 3HG2 THR 58 HG23 THR 58 141.504 2.013 -5.157 476 H ASN 59 HN ASN 59 141.321 3.671 -3.516 477 HA ASN 59 HA ASN 59 138.426 3.704 -2.756 478 1HB ASN 59 HB2 ASN 59 140.417 5.992 -2.756 479 2HB ASN 59 HB1 ASN 59 138.679 6.184 -2.513 480 1HD2 ASN 59 HD22 ASN 59 140.917 4.420 0.452 481 2HD2 ASN 59 HD21 ASN 59 141.520 4.454 -1.134 482 H VAL 60 HN VAL 60 137.016 4.276 -4.378 483 HA VAL 60 HA VAL 60 138.143 5.400 -6.899 484 HB VAL 60 HB VAL 60 136.185 3.085 -6.792 485 1HG1 VAL 60 HG12 VAL 60 137.573 4.592 -9.016 486 2HG1 VAL 60 HG11 VAL 60 136.879 2.990 -9.258 487 3HG1 VAL 60 HG13 VAL 60 135.842 4.338 -8.792 488 1HG2 VAL 60 HG21 VAL 60 139.176 3.220 -7.098 489 2HG2 VAL 60 HG23 VAL 60 138.210 2.096 -6.142 490 3HG2 VAL 60 HG22 VAL 60 138.268 1.937 -7.897 491 H VAL 61 HN VAL 61 137.085 7.315 -7.081 492 HA VAL 61 HA VAL 61 134.323 7.585 -6.065 493 HB VAL 61 HB VAL 61 136.092 9.664 -7.386 494 1HG1 VAL 61 HG11 VAL 61 133.473 9.708 -5.904 495 2HG1 VAL 61 HG13 VAL 61 134.526 11.122 -5.883 496 3HG1 VAL 61 HG12 VAL 61 133.904 10.509 -7.416 497 1HG2 VAL 61 HG22 VAL 61 137.138 8.708 -5.349 498 2HG2 VAL 61 HG21 VAL 61 136.633 10.378 -5.092 499 3HG2 VAL 61 HG23 VAL 61 135.666 9.055 -4.442 500 H LEU 62 HN LEU 62 132.535 7.786 -7.375 501 HA LEU 62 HA LEU 62 132.974 7.932 -10.326 502 1HB LEU 62 HB2 LEU 62 132.532 5.569 -9.622 503 2HB LEU 62 HB1 LEU 62 130.992 6.095 -8.944 504 HG LEU 62 HG LEU 62 130.691 7.140 -11.380 505 1HD1 LEU 62 HD12 LEU 62 132.713 4.917 -11.685 506 2HD1 LEU 62 HD11 LEU 62 131.627 5.369 -12.998 507 3HD1 LEU 62 HD13 LEU 62 132.773 6.546 -12.357 508 1HD2 LEU 62 HD23 LEU 62 130.252 4.305 -10.440 509 2HD2 LEU 62 HD22 LEU 62 129.076 5.611 -10.578 510 3HD2 LEU 62 HD21 LEU 62 129.701 4.833 -12.031 511 H THR 63 HN THR 63 132.224 10.054 -10.504 512 HA THR 63 HA THR 63 129.357 10.462 -9.769 513 HB THR 63 HB THR 63 130.674 11.687 -8.143 514 HG1 THR 63 HG1 THR 63 129.832 13.514 -10.136 515 1HG2 THR 63 HG21 THR 63 132.268 12.349 -10.556 516 2HG2 THR 63 HG23 THR 63 132.086 13.643 -9.371 517 3HG2 THR 63 HG22 THR 63 132.793 12.101 -8.891 518 H HIS 64 HN HIS 64 131.419 10.197 -12.323 519 HA HIS 64 HA HIS 64 131.341 10.910 -14.549 520 1HB HIS 64 HB2 HIS 64 128.518 11.456 -13.620 521 2HB HIS 64 HB1 HIS 64 129.028 11.751 -15.282 522 HD1 HIS 64 HD1 HIS 64 128.753 9.798 -16.797 523 HD2 HIS 64 HD2 HIS 64 129.242 8.597 -12.836 524 HE1 HIS 64 HE1 HIS 64 128.558 7.272 -16.785 525 H GLN 65 HN GLN 65 132.279 12.794 -12.500 526 HA GLN 65 HA GLN 65 131.639 15.352 -13.917 527 1HB GLN 65 HB2 GLN 65 130.861 14.963 -11.410 528 2HB GLN 65 HB1 GLN 65 132.546 15.353 -11.060 529 1HG GLN 65 HG2 GLN 65 132.370 17.510 -11.973 530 2HG GLN 65 HG1 GLN 65 130.928 17.099 -12.903 531 1HE2 GLN 65 HE22 GLN 65 130.050 19.031 -9.733 532 2HE2 GLN 65 HE21 GLN 65 131.214 19.320 -10.935 533 H GLU 66 HN GLU 66 133.405 16.372 -14.749 534 HA GLU 66 HA GLU 66 136.084 15.255 -14.095 535 1HB GLU 66 HB2 GLU 66 135.123 17.034 -16.355 536 2HB GLU 66 HB1 GLU 66 136.802 16.542 -16.131 537 1HG GLU 66 HG2 GLU 66 136.242 14.218 -16.417 538 2HG GLU 66 HG1 GLU 66 134.514 14.572 -16.370 539 H ASP 67 HN ASP 67 134.654 17.087 -12.278 540 HA ASP 67 HA ASP 67 136.540 19.411 -12.372 541 1HB ASP 67 HB2 ASP 67 133.688 19.221 -11.376 542 2HB ASP 67 HB1 ASP 67 134.753 20.565 -10.959 543 H TYR 68 HN TYR 68 134.819 17.123 -10.261 544 HA TYR 68 HA TYR 68 136.187 17.936 -7.846 545 1HB TYR 68 HB2 TYR 68 133.993 16.666 -7.958 546 2HB TYR 68 HB1 TYR 68 134.926 15.239 -8.410 547 HD1 TYR 68 HD2 TYR 68 134.861 17.947 -5.812 548 HD2 TYR 68 HD1 TYR 68 135.741 13.842 -6.726 549 HE1 TYR 68 HE2 TYR 68 135.379 17.525 -3.423 550 HE2 TYR 68 HE1 TYR 68 136.258 13.421 -4.338 551 HH TYR 68 HH TYR 68 135.311 15.051 -1.938 552 H GLN 69 HN GLN 69 138.297 17.557 -7.406 553 HA GLN 69 HA GLN 69 139.626 15.239 -8.752 554 1HB GLN 69 HB2 GLN 69 140.624 17.961 -7.928 555 2HB GLN 69 HB1 GLN 69 141.749 16.621 -8.151 556 1HG GLN 69 HG2 GLN 69 141.261 16.419 -10.435 557 2HG GLN 69 HG1 GLN 69 139.715 17.253 -10.276 558 1HE2 GLN 69 HE22 GLN 69 143.072 19.393 -11.008 559 2HE2 GLN 69 HE21 GLN 69 143.098 17.698 -10.917 560 H ALA 70 HN ALA 70 139.715 13.584 -7.306 561 HA ALA 70 HA ALA 70 139.910 14.093 -4.420 562 1HB ALA 70 HB2 ALA 70 138.540 12.221 -5.270 563 2HB ALA 70 HB1 ALA 70 139.979 11.491 -5.981 564 3HB ALA 70 HB3 ALA 70 139.836 11.632 -4.229 565 H GLN 71 HN GLN 71 141.792 14.146 -3.287 566 HA GLN 71 HA GLN 71 144.312 13.544 -4.739 567 1HB GLN 71 HB2 GLN 71 143.809 14.937 -2.090 568 2HB GLN 71 HB1 GLN 71 145.395 14.722 -2.831 569 1HG GLN 71 HG2 GLN 71 144.789 16.080 -4.719 570 2HG GLN 71 HG1 GLN 71 143.095 16.112 -4.225 571 1HE2 GLN 71 HE22 GLN 71 143.673 18.496 -1.579 572 2HE2 GLN 71 HE21 GLN 71 142.690 17.178 -2.003 573 H GLY 72 HN GLY 72 145.184 11.563 -4.443 574 1HA GLY 72 HA2 GLY 72 146.215 9.917 -2.968 575 2HA GLY 72 HA1 GLY 72 145.009 10.314 -1.743 576 H ALA 73 HN ALA 73 142.674 10.198 -3.285 577 HA ALA 73 HA ALA 73 142.464 7.269 -3.687 578 1HB ALA 73 HB1 ALA 73 140.357 9.447 -3.551 579 2HB ALA 73 HB3 ALA 73 140.009 7.730 -3.752 580 3HB ALA 73 HB2 ALA 73 140.769 8.308 -2.269 581 H VAL 74 HN VAL 74 141.543 6.389 -5.635 582 HA VAL 74 HA VAL 74 142.356 7.803 -8.049 583 HB VAL 74 HB VAL 74 140.744 5.245 -7.799 584 1HG1 VAL 74 HG13 VAL 74 142.282 6.593 -10.019 585 2HG1 VAL 74 HG12 VAL 74 141.993 4.854 -10.037 586 3HG1 VAL 74 HG11 VAL 74 140.631 5.974 -10.044 587 1HG2 VAL 74 HG23 VAL 74 143.746 5.675 -7.951 588 2HG2 VAL 74 HG22 VAL 74 142.860 5.085 -6.546 589 3HG2 VAL 74 HG21 VAL 74 142.939 4.109 -8.013 590 H VAL 75 HN VAL 75 140.841 8.212 -9.863 591 HA VAL 75 HA VAL 75 138.031 8.695 -8.985 592 HB VAL 75 HB VAL 75 139.696 10.660 -10.586 593 1HG1 VAL 75 HG13 VAL 75 137.202 10.606 -10.967 594 2HG1 VAL 75 HG12 VAL 75 136.990 10.984 -9.258 595 3HG1 VAL 75 HG11 VAL 75 137.796 12.136 -10.322 596 1HG2 VAL 75 HG23 VAL 75 140.419 10.438 -8.191 597 2HG2 VAL 75 HG22 VAL 75 139.753 12.025 -8.571 598 3HG2 VAL 75 HG21 VAL 75 138.774 10.845 -7.700 599 H VAL 76 HN VAL 76 136.664 7.742 -10.396 600 HA VAL 76 HA VAL 76 137.637 7.233 -13.179 601 HB VAL 76 HB VAL 76 135.891 5.420 -13.197 602 1HG1 VAL 76 HG13 VAL 76 138.183 5.450 -11.249 603 2HG1 VAL 76 HG12 VAL 76 137.158 4.020 -11.381 604 3HG1 VAL 76 HG11 VAL 76 138.047 4.602 -12.789 605 1HG2 VAL 76 HG21 VAL 76 134.592 6.565 -11.288 606 2HG2 VAL 76 HG23 VAL 76 134.749 4.810 -11.202 607 3HG2 VAL 76 HG22 VAL 76 135.779 5.838 -10.205 608 H HIS 77 HN HIS 77 135.805 7.222 -14.830 609 HA HIS 77 HA HIS 77 133.504 8.943 -14.135 610 1HB HIS 77 HB2 HIS 77 135.385 9.709 -16.385 611 2HB HIS 77 HB1 HIS 77 133.977 10.608 -15.822 612 HD1 HIS 77 HD1 HIS 77 134.239 12.039 -13.704 613 HD2 HIS 77 HD2 HIS 77 137.659 9.839 -14.621 614 HE1 HIS 77 HE1 HIS 77 136.082 12.918 -12.203 615 H ASP 78 HN ASP 78 133.880 6.157 -15.018 616 HA ASP 78 HA ASP 78 131.914 6.158 -17.173 617 1HB ASP 78 HB2 ASP 78 134.796 5.564 -17.693 618 2HB ASP 78 HB1 ASP 78 133.592 4.550 -18.490 619 H VAL 79 HN VAL 79 130.753 4.246 -17.149 620 HA VAL 79 HA VAL 79 131.016 2.485 -14.909 621 HB VAL 79 HB VAL 79 129.577 1.926 -17.520 622 1HG1 VAL 79 HG13 VAL 79 129.982 0.155 -15.596 623 2HG1 VAL 79 HG12 VAL 79 128.687 1.044 -14.796 624 3HG1 VAL 79 HG11 VAL 79 128.400 0.288 -16.363 625 1HG2 VAL 79 HG21 VAL 79 128.791 3.535 -15.080 626 2HG2 VAL 79 HG23 VAL 79 128.776 4.048 -16.767 627 3HG2 VAL 79 HG22 VAL 79 127.596 2.869 -16.192 628 H ALA 80 HN ALA 80 131.948 2.133 -18.330 629 HA ALA 80 HA ALA 80 132.914 -0.554 -18.130 630 1HB ALA 80 HB3 ALA 80 133.773 1.685 -19.989 631 2HB ALA 80 HB2 ALA 80 134.168 -0.019 -20.207 632 3HB ALA 80 HB1 ALA 80 132.490 0.517 -20.299 633 H ALA 81 HN ALA 81 134.416 2.585 -17.506 634 HA ALA 81 HA ALA 81 137.113 1.660 -17.234 635 1HB ALA 81 HB2 ALA 81 136.290 4.082 -17.384 636 2HB ALA 81 HB1 ALA 81 135.892 3.944 -15.671 637 3HB ALA 81 HB3 ALA 81 137.564 3.767 -16.205 638 H VAL 82 HN VAL 82 134.390 1.808 -14.983 639 HA VAL 82 HA VAL 82 135.844 1.190 -12.595 640 HB VAL 82 HB VAL 82 132.977 0.461 -13.281 641 1HG1 VAL 82 HG12 VAL 82 133.958 -0.643 -11.258 642 2HG1 VAL 82 HG11 VAL 82 134.312 0.955 -10.601 643 3HG1 VAL 82 HG13 VAL 82 132.640 0.461 -10.868 644 1HG2 VAL 82 HG23 VAL 82 133.913 2.962 -13.419 645 2HG2 VAL 82 HG22 VAL 82 132.333 2.612 -12.721 646 3HG2 VAL 82 HG21 VAL 82 133.724 2.867 -11.668 647 H PHE 83 HN PHE 83 134.303 -0.870 -15.052 648 HA PHE 83 HA PHE 83 134.997 -3.342 -13.667 649 1HB PHE 83 HB2 PHE 83 134.097 -2.842 -16.521 650 2HB PHE 83 HB1 PHE 83 134.227 -4.430 -15.762 651 HD1 PHE 83 HD2 PHE 83 133.125 -4.304 -13.196 652 HD2 PHE 83 HD1 PHE 83 131.901 -2.088 -16.666 653 HE1 PHE 83 HE2 PHE 83 130.862 -4.027 -12.220 654 HE2 PHE 83 HE1 PHE 83 129.637 -1.812 -15.692 655 HZ PHE 83 HZ PHE 83 129.118 -2.781 -13.468 656 H ALA 84 HN ALA 84 136.444 -1.303 -16.137 657 HA ALA 84 HA ALA 84 138.384 -3.170 -17.117 658 1HB ALA 84 HB1 ALA 84 138.430 -0.143 -16.942 659 2HB ALA 84 HB3 ALA 84 139.647 -1.095 -17.792 660 3HB ALA 84 HB2 ALA 84 137.969 -1.119 -18.337 661 H TYR 85 HN TYR 85 138.357 -0.969 -14.347 662 HA TYR 85 HA TYR 85 141.139 -1.432 -13.645 663 1HB TYR 85 HB2 TYR 85 139.755 0.587 -12.961 664 2HB TYR 85 HB1 TYR 85 138.924 -0.468 -11.818 665 HD1 TYR 85 HD2 TYR 85 142.249 0.901 -12.769 666 HD2 TYR 85 HD1 TYR 85 139.943 -1.118 -9.762 667 HE1 TYR 85 HE2 TYR 85 144.107 1.188 -11.152 668 HE2 TYR 85 HE1 TYR 85 141.800 -0.831 -8.144 669 HH TYR 85 HH TYR 85 144.054 1.247 -8.286 670 H ALA 86 HN ALA 86 138.026 -2.820 -12.684 671 HA ALA 86 HA ALA 86 139.154 -4.489 -10.589 672 1HB ALA 86 HB1 ALA 86 136.505 -4.466 -12.046 673 2HB ALA 86 HB3 ALA 86 136.898 -5.692 -10.841 674 3HB ALA 86 HB2 ALA 86 136.835 -3.991 -10.381 675 H LYS 87 HN LYS 87 138.396 -4.905 -14.020 676 HA LYS 87 HA LYS 87 138.784 -7.736 -14.153 677 1HB LYS 87 HB2 LYS 87 137.839 -6.084 -15.939 678 2HB LYS 87 HB1 LYS 87 139.528 -5.881 -16.407 679 1HG LYS 87 HG2 LYS 87 139.730 -8.338 -16.690 680 2HG LYS 87 HG1 LYS 87 138.024 -8.511 -16.278 681 1HD LYS 87 HD2 LYS 87 137.303 -7.509 -18.257 682 2HD LYS 87 HD1 LYS 87 138.822 -6.640 -18.486 683 1HE LYS 87 HE2 LYS 87 139.850 -9.046 -18.703 684 2HE LYS 87 HE1 LYS 87 138.190 -9.522 -19.055 685 1HZ LYS 87 HZ1 LYS 87 139.586 -7.315 -20.456 686 2HZ LYS 87 HZ3 LYS 87 139.552 -8.909 -21.033 687 3HZ LYS 87 HZ2 LYS 87 138.104 -8.034 -20.875 688 H GLN 88 HN GLN 88 141.035 -5.005 -14.462 689 HA GLN 88 HA GLN 88 143.336 -6.542 -15.203 690 1HB GLN 88 HB2 GLN 88 142.930 -3.846 -13.921 691 2HB GLN 88 HB1 GLN 88 144.552 -4.521 -14.076 692 1HG GLN 88 HG2 GLN 88 142.845 -4.642 -16.507 693 2HG GLN 88 HG1 GLN 88 143.395 -3.038 -16.018 694 1HE2 GLN 88 HE22 GLN 88 146.734 -3.600 -17.015 695 2HE2 GLN 88 HE21 GLN 88 145.605 -2.516 -16.356 696 H HIS 89 HN HIS 89 141.812 -5.861 -12.111 697 HA HIS 89 HA HIS 89 143.928 -7.504 -10.775 698 1HB HIS 89 HB2 HIS 89 142.179 -5.336 -9.573 699 2HB HIS 89 HB1 HIS 89 143.389 -6.280 -8.703 700 HD1 HIS 89 HD1 HIS 89 143.420 -3.087 -9.305 701 HD2 HIS 89 HD2 HIS 89 145.702 -6.016 -11.199 702 HE1 HIS 89 HE1 HIS 89 145.445 -1.908 -10.265 703 HA PRO 90 HA PRO 90 140.084 -10.014 -10.438 704 1HB PRO 90 HB2 PRO 90 141.567 -12.409 -10.502 705 2HB PRO 90 HB1 PRO 90 140.699 -11.673 -11.855 706 1HG PRO 90 HG2 PRO 90 143.520 -11.939 -11.512 707 2HG PRO 90 HG1 PRO 90 142.646 -11.196 -12.859 708 1HD PRO 90 HD2 PRO 90 144.076 -9.907 -10.667 709 2HD PRO 90 HD1 PRO 90 143.461 -9.201 -12.169 710 H ASP 91 HN ASP 91 143.145 -10.162 -8.714 711 HA ASP 91 HA ASP 91 142.333 -11.883 -6.573 712 1HB ASP 91 HB2 ASP 91 144.460 -9.786 -6.913 713 2HB ASP 91 HB1 ASP 91 144.154 -10.462 -5.314 714 H GLN 92 HN GLN 92 141.877 -8.448 -7.185 715 HA GLN 92 HA GLN 92 140.619 -8.099 -4.513 716 1HB GLN 92 HB2 GLN 92 141.458 -6.161 -6.679 717 2HB GLN 92 HB1 GLN 92 140.493 -5.665 -5.288 718 1HG GLN 92 HG2 GLN 92 142.379 -6.901 -3.918 719 2HG GLN 92 HG1 GLN 92 143.334 -6.623 -5.374 720 1HE2 GLN 92 HE22 GLN 92 143.501 -3.090 -4.919 721 2HE2 GLN 92 HE21 GLN 92 143.685 -4.350 -6.041 722 H GLU 93 HN GLU 93 138.437 -7.332 -4.346 723 HA GLU 93 HA GLU 93 136.791 -7.885 -6.782 724 1HB GLU 93 HB2 GLU 93 136.136 -8.149 -3.835 725 2HB GLU 93 HB1 GLU 93 134.933 -8.291 -5.116 726 1HG GLU 93 HG2 GLU 93 136.424 -10.087 -6.143 727 2HG GLU 93 HG1 GLU 93 137.341 -10.059 -4.636 728 H LEU 94 HN LEU 94 134.796 -6.542 -6.960 729 HA LEU 94 HA LEU 94 135.398 -3.736 -6.232 730 1HB LEU 94 HB2 LEU 94 134.646 -4.571 -8.577 731 2HB LEU 94 HB1 LEU 94 133.034 -4.650 -7.865 732 HG LEU 94 HG LEU 94 133.502 -2.225 -7.066 733 1HD1 LEU 94 HD13 LEU 94 135.958 -2.420 -7.711 734 2HD1 LEU 94 HD12 LEU 94 135.435 -2.338 -9.393 735 3HD1 LEU 94 HD11 LEU 94 135.133 -0.980 -8.309 736 1HD2 LEU 94 HD22 LEU 94 131.925 -2.965 -8.907 737 2HD2 LEU 94 HD21 LEU 94 132.586 -1.343 -9.119 738 3HD2 LEU 94 HD23 LEU 94 133.240 -2.690 -10.051 739 H VAL 95 HN VAL 95 134.487 -2.872 -4.443 740 HA VAL 95 HA VAL 95 131.982 -4.121 -3.387 741 HB VAL 95 HB VAL 95 134.021 -2.446 -1.890 742 1HG1 VAL 95 HG11 VAL 95 131.601 -4.067 -1.065 743 2HG1 VAL 95 HG13 VAL 95 132.832 -3.534 0.081 744 3HG1 VAL 95 HG12 VAL 95 131.882 -2.344 -0.810 745 1HG2 VAL 95 HG23 VAL 95 134.947 -4.621 -2.694 746 2HG2 VAL 95 HG22 VAL 95 134.803 -4.562 -0.937 747 3HG2 VAL 95 HG21 VAL 95 133.618 -5.455 -1.890 748 H ILE 96 HN ILE 96 130.176 -2.880 -3.476 749 HA ILE 96 HA ILE 96 130.464 -0.012 -4.194 750 HB ILE 96 HB ILE 96 127.954 -1.706 -4.062 751 1HG1 ILE 96 HG12 ILE 96 129.566 -2.640 -5.688 752 2HG1 ILE 96 HG11 ILE 96 128.189 -1.914 -6.514 753 1HG2 ILE 96 HG22 ILE 96 127.736 0.812 -3.974 754 2HG2 ILE 96 HG21 ILE 96 128.493 0.868 -5.566 755 3HG2 ILE 96 HG23 ILE 96 126.941 0.056 -5.356 756 1HD1 ILE 96 HD11 ILE 96 130.872 -0.563 -6.076 757 2HD1 ILE 96 HD13 ILE 96 130.331 -1.284 -7.591 758 3HD1 ILE 96 HD12 ILE 96 129.498 0.126 -6.939 759 H ALA 97 HN ALA 97 130.058 1.575 -2.725 760 HA ALA 97 HA ALA 97 128.856 0.762 -0.109 761 1HB ALA 97 HB2 ALA 97 131.028 2.690 -0.852 762 2HB ALA 97 HB1 ALA 97 130.050 3.023 0.578 763 3HB ALA 97 HB3 ALA 97 130.973 1.524 0.471 764 H GLY 98 HN GLY 98 128.798 3.124 -2.721 765 1HA GLY 98 HA2 GLY 98 126.145 3.781 -2.718 766 2HA GLY 98 HA1 GLY 98 126.770 4.789 -1.411 767 H GLY 99 HN GLY 99 127.119 7.020 -4.285 768 1HA GLY 99 HA2 GLY 99 125.545 6.354 -1.916 769 2HA GLY 99 HA1 GLY 99 125.193 7.643 -3.069 770 H ALA 100 HN ALA 100 122.942 6.938 -3.019 771 HA ALA 100 HA ALA 100 122.100 4.301 -3.757 772 1HB ALA 100 HB2 ALA 100 120.699 6.187 -2.709 773 2HB ALA 100 HB1 ALA 100 120.549 6.829 -4.344 774 3HB ALA 100 HB3 ALA 100 119.917 5.227 -3.966 775 H GLN 101 HN GLN 101 122.902 7.179 -5.649 776 HA GLN 101 HA GLN 101 121.925 6.269 -8.176 777 1HB GLN 101 HB2 GLN 101 123.984 8.264 -7.291 778 2HB GLN 101 HB1 GLN 101 123.902 7.821 -8.997 779 1HG GLN 101 HG2 GLN 101 122.443 9.679 -8.805 780 2HG GLN 101 HG1 GLN 101 121.370 8.278 -8.807 781 1HE2 GLN 101 HE22 GLN 101 119.951 9.584 -5.842 782 2HE2 GLN 101 HE21 GLN 101 119.698 9.139 -7.460 783 H ILE 102 HN ILE 102 124.920 5.646 -6.425 784 HA ILE 102 HA ILE 102 126.239 4.335 -8.666 785 HB ILE 102 HB ILE 102 126.849 4.095 -5.707 786 1HG1 ILE 102 HG12 ILE 102 126.801 6.463 -6.408 787 2HG1 ILE 102 HG11 ILE 102 128.451 5.940 -6.079 788 1HG2 ILE 102 HG22 ILE 102 127.903 2.431 -7.269 789 2HG2 ILE 102 HG21 ILE 102 128.654 3.782 -8.120 790 3HG2 ILE 102 HG23 ILE 102 129.068 3.461 -6.436 791 1HD1 ILE 102 HD12 ILE 102 128.800 5.569 -8.512 792 2HD1 ILE 102 HD11 ILE 102 127.166 6.153 -8.821 793 3HD1 ILE 102 HD13 ILE 102 128.382 7.245 -8.157 794 H PHE 103 HN PHE 103 124.296 3.301 -5.896 795 HA PHE 103 HA PHE 103 124.732 0.480 -6.202 796 1HB PHE 103 HB2 PHE 103 122.571 2.141 -4.912 797 2HB PHE 103 HB1 PHE 103 122.427 0.386 -5.000 798 HD1 PHE 103 HD2 PHE 103 125.047 -0.669 -4.556 799 HD2 PHE 103 HD1 PHE 103 123.231 2.793 -2.775 800 HE1 PHE 103 HE2 PHE 103 126.544 -0.895 -2.595 801 HE2 PHE 103 HE1 PHE 103 124.731 2.568 -0.813 802 HZ PHE 103 HZ PHE 103 126.387 0.725 -0.723 803 H THR 104 HN THR 104 122.439 2.742 -7.660 804 HA THR 104 HA THR 104 120.830 0.695 -8.939 805 HB THR 104 HB THR 104 121.129 3.581 -9.806 806 HG1 THR 104 HG1 THR 104 120.621 3.699 -7.688 807 1HG2 THR 104 HG22 THR 104 119.874 2.052 -11.304 808 2HG2 THR 104 HG21 THR 104 118.817 1.627 -9.958 809 3HG2 THR 104 HG23 THR 104 118.826 3.276 -10.583 810 H ALA 105 HN ALA 105 123.688 2.557 -9.837 811 HA ALA 105 HA ALA 105 123.694 1.904 -12.630 812 1HB ALA 105 HB3 ALA 105 125.992 2.545 -10.757 813 2HB ALA 105 HB2 ALA 105 126.119 2.481 -12.514 814 3HB ALA 105 HB1 ALA 105 125.099 3.698 -11.748 815 H PHE 106 HN PHE 106 125.049 0.280 -9.779 816 HA PHE 106 HA PHE 106 125.953 -1.962 -11.519 817 1HB PHE 106 HB2 PHE 106 126.516 -1.363 -8.597 818 2HB PHE 106 HB1 PHE 106 127.170 -2.734 -9.494 819 HD1 PHE 106 HD2 PHE 106 128.141 -1.927 -11.941 820 HD2 PHE 106 HD1 PHE 106 127.979 0.427 -8.352 821 HE1 PHE 106 HE2 PHE 106 129.976 -0.496 -12.797 822 HE2 PHE 106 HE1 PHE 106 129.814 1.858 -9.208 823 HZ PHE 106 HZ PHE 106 130.813 1.396 -11.430 824 H LYS 107 HN LYS 107 123.198 -1.753 -11.278 825 HA LYS 107 HA LYS 107 122.279 -3.503 -9.101 826 1HB LYS 107 HB2 LYS 107 120.944 -1.559 -10.102 827 2HB LYS 107 HB1 LYS 107 120.682 -2.597 -11.505 828 1HG LYS 107 HG2 LYS 107 119.576 -4.264 -10.156 829 2HG LYS 107 HG1 LYS 107 120.007 -3.420 -8.669 830 1HD LYS 107 HD2 LYS 107 118.645 -1.475 -9.397 831 2HD LYS 107 HD1 LYS 107 118.174 -2.367 -10.845 832 1HE LYS 107 HE2 LYS 107 117.766 -3.696 -8.201 833 2HE LYS 107 HE1 LYS 107 116.662 -2.395 -8.646 834 1HZ LYS 107 HZ1 LYS 107 117.270 -4.765 -10.328 835 2HZ LYS 107 HZ3 LYS 107 115.875 -4.574 -9.383 836 3HZ LYS 107 HZ2 LYS 107 116.160 -3.532 -10.694 837 H ASP 108 HN ASP 108 123.060 -3.741 -12.520 838 HA ASP 108 HA ASP 108 122.091 -6.550 -12.591 839 1HB ASP 108 HB2 ASP 108 123.109 -4.685 -14.753 840 2HB ASP 108 HB1 ASP 108 122.684 -6.373 -15.039 841 H ASP 109 HN ASP 109 124.400 -5.873 -10.971 842 HA ASP 109 HA ASP 109 126.277 -7.833 -12.053 843 1HB ASP 109 HB2 ASP 109 126.888 -4.895 -12.052 844 2HB ASP 109 HB1 ASP 109 128.188 -6.036 -11.702 845 H VAL 110 HN VAL 110 125.303 -8.618 -9.932 846 HA VAL 110 HA VAL 110 127.226 -8.245 -7.800 847 HB VAL 110 HB VAL 110 125.891 -6.191 -7.482 848 1HG1 VAL 110 HG13 VAL 110 123.793 -7.213 -8.502 849 2HG1 VAL 110 HG12 VAL 110 123.527 -8.001 -6.946 850 3HG1 VAL 110 HG11 VAL 110 123.540 -6.241 -7.052 851 1HG2 VAL 110 HG21 VAL 110 125.533 -8.382 -5.421 852 2HG2 VAL 110 HG23 VAL 110 126.779 -7.134 -5.462 853 3HG2 VAL 110 HG22 VAL 110 125.106 -6.700 -5.110 854 H ASP 111 HN ASP 111 127.136 -9.984 -6.377 855 HA ASP 111 HA ASP 111 124.850 -11.884 -6.740 856 1HB ASP 111 HB2 ASP 111 126.521 -13.706 -6.296 857 2HB ASP 111 HB1 ASP 111 126.834 -12.821 -7.790 858 H THR 112 HN THR 112 127.391 -10.728 -4.522 859 HA THR 112 HA THR 112 125.934 -11.921 -2.229 860 HB THR 112 HB THR 112 128.458 -10.283 -2.028 861 HG1 THR 112 HG1 THR 112 128.268 -13.048 -2.628 862 1HG2 THR 112 HG23 THR 112 127.348 -12.645 -0.486 863 2HG2 THR 112 HG22 THR 112 128.855 -11.804 -0.122 864 3HG2 THR 112 HG21 THR 112 127.314 -10.962 0.042 865 H LEU 113 HN LEU 113 124.577 -10.705 -1.005 866 HA LEU 113 HA LEU 113 124.730 -7.729 -1.297 867 1HB LEU 113 HB2 LEU 113 122.297 -9.422 -0.655 868 2HB LEU 113 HB1 LEU 113 122.319 -7.675 -0.887 869 HG LEU 113 HG LEU 113 123.184 -9.666 -3.000 870 1HD1 LEU 113 HD11 LEU 113 120.541 -8.262 -2.532 871 2HD1 LEU 113 HD13 LEU 113 120.992 -8.968 -4.084 872 3HD1 LEU 113 HD12 LEU 113 120.829 -9.998 -2.661 873 1HD2 LEU 113 HD21 LEU 113 122.892 -6.680 -2.831 874 2HD2 LEU 113 HD23 LEU 113 124.185 -7.633 -3.561 875 3HD2 LEU 113 HD22 LEU 113 122.630 -7.484 -4.379 876 H LEU 114 HN LEU 114 125.976 -7.243 0.505 877 HA LEU 114 HA LEU 114 125.226 -8.411 3.127 878 1HB LEU 114 HB2 LEU 114 127.528 -6.661 2.220 879 2HB LEU 114 HB1 LEU 114 127.253 -7.087 3.910 880 HG LEU 114 HG LEU 114 127.252 -9.318 1.934 881 1HD1 LEU 114 HD11 LEU 114 129.203 -7.814 1.330 882 2HD1 LEU 114 HD13 LEU 114 129.827 -8.091 2.956 883 3HD1 LEU 114 HD12 LEU 114 129.656 -9.442 1.835 884 1HD2 LEU 114 HD23 LEU 114 128.273 -8.880 4.756 885 2HD2 LEU 114 HD22 LEU 114 126.857 -9.812 4.270 886 3HD2 LEU 114 HD21 LEU 114 128.473 -10.390 3.869 887 H VAL 115 HN VAL 115 123.939 -7.298 4.521 888 HA VAL 115 HA VAL 115 123.825 -4.336 4.322 889 HB VAL 115 HB VAL 115 121.978 -5.198 2.927 890 1HG1 VAL 115 HG12 VAL 115 121.807 -7.359 4.311 891 2HG1 VAL 115 HG11 VAL 115 120.817 -6.423 5.430 892 3HG1 VAL 115 HG13 VAL 115 120.293 -6.642 3.761 893 1HG2 VAL 115 HG21 VAL 115 121.777 -3.150 4.513 894 2HG2 VAL 115 HG23 VAL 115 120.293 -3.816 3.832 895 3HG2 VAL 115 HG22 VAL 115 120.748 -4.195 5.493 896 H THR 116 HN THR 116 123.234 -3.322 6.289 897 HA THR 116 HA THR 116 123.262 -5.141 8.662 898 HB THR 116 HB THR 116 123.969 -2.195 8.586 899 HG1 THR 116 HG1 THR 116 126.133 -3.020 8.675 900 1HG2 THR 116 HG23 THR 116 124.083 -4.394 10.626 901 2HG2 THR 116 HG22 THR 116 125.255 -3.078 10.700 902 3HG2 THR 116 HG21 THR 116 123.530 -2.729 10.812 903 H ARG 117 HN ARG 117 121.069 -5.467 9.017 904 HA ARG 117 HA ARG 117 119.110 -3.335 8.761 905 1HB ARG 117 HB2 ARG 117 119.094 -6.183 9.666 906 2HB ARG 117 HB1 ARG 117 117.763 -5.148 10.183 907 1HG ARG 117 HG2 ARG 117 116.953 -5.952 8.150 908 2HG ARG 117 HG1 ARG 117 117.705 -4.437 7.652 909 1HD ARG 117 HD2 ARG 117 119.011 -5.598 6.235 910 2HD ARG 117 HD1 ARG 117 119.758 -6.400 7.617 911 HE ARG 117 HE ARG 117 118.545 -8.324 7.048 912 1HH1 ARG 117 HH11 ARG 117 116.968 -5.507 5.703 913 2HH1 ARG 117 HH12 ARG 117 115.773 -6.445 4.879 914 1HH2 ARG 117 HH21 ARG 117 116.980 -9.499 5.964 915 2HH2 ARG 117 HH22 ARG 117 115.777 -8.681 5.024 916 H LEU 118 HN LEU 118 118.630 -1.820 10.264 917 HA LEU 118 HA LEU 118 119.741 -2.168 13.007 918 1HB LEU 118 HB2 LEU 118 119.525 0.073 11.175 919 2HB LEU 118 HB1 LEU 118 118.739 0.462 12.703 920 HG LEU 118 HG LEU 118 121.374 -0.901 12.895 921 1HD1 LEU 118 HD11 LEU 118 121.014 1.930 11.884 922 2HD1 LEU 118 HD13 LEU 118 122.504 1.363 12.637 923 3HD1 LEU 118 HD12 LEU 118 121.941 0.630 11.135 924 1HD2 LEU 118 HD21 LEU 118 119.717 0.159 14.705 925 2HD2 LEU 118 HD23 LEU 118 121.466 0.205 14.922 926 3HD2 LEU 118 HD22 LEU 118 120.617 1.623 14.306 927 H ALA 119 HN ALA 119 118.385 -1.960 14.816 928 HA ALA 119 HA ALA 119 115.564 -2.573 14.356 929 1HB ALA 119 HB3 ALA 119 116.952 -3.551 16.230 930 2HB ALA 119 HB2 ALA 119 116.944 -1.957 16.984 931 3HB ALA 119 HB1 ALA 119 115.430 -2.832 16.755 932 H GLY 120 HN GLY 120 117.443 0.192 15.544 933 1HA GLY 120 HA2 GLY 120 115.205 1.799 16.344 934 2HA GLY 120 HA1 GLY 120 116.810 2.415 15.951 935 H SER 121 HN SER 121 113.851 3.079 15.140 936 HA SER 121 HA SER 121 114.075 2.903 12.196 937 1HB SER 121 HB2 SER 121 111.811 3.993 12.259 938 2HB SER 121 HB1 SER 121 111.882 2.466 13.133 939 HG SER 121 HG SER 121 111.003 3.756 14.604 940 H PHE 122 HN PHE 122 114.351 4.710 10.861 941 HA PHE 122 HA PHE 122 114.628 7.378 12.128 942 1HB PHE 122 HB2 PHE 122 116.799 6.157 10.396 943 2HB PHE 122 HB1 PHE 122 116.825 7.756 11.139 944 HD1 PHE 122 HD2 PHE 122 117.090 8.019 13.569 945 HD2 PHE 122 HD1 PHE 122 117.151 4.144 11.717 946 HE1 PHE 122 HE2 PHE 122 118.042 7.044 15.641 947 HE2 PHE 122 HE1 PHE 122 118.103 3.168 13.789 948 HZ PHE 122 HZ PHE 122 118.548 4.618 15.751 949 H GLU 123 HN GLU 123 114.408 9.106 10.595 950 HA GLU 123 HA GLU 123 113.421 8.231 7.907 951 1HB GLU 123 HB2 GLU 123 111.931 10.247 8.001 952 2HB GLU 123 HB1 GLU 123 111.557 9.049 9.241 953 1HG GLU 123 HG2 GLU 123 112.475 10.342 10.958 954 2HG GLU 123 HG1 GLU 123 113.491 11.266 9.852 955 H GLY 124 HN GLY 124 113.984 9.586 6.134 956 1HA GLY 124 HA2 GLY 124 115.434 12.056 6.415 957 2HA GLY 124 HA1 GLY 124 116.555 10.725 6.122 958 H ASP 125 HN ASP 125 117.072 11.682 4.042 959 HA ASP 125 HA ASP 125 114.892 11.425 2.011 960 1HB ASP 125 HB2 ASP 125 116.347 12.910 0.605 961 2HB ASP 125 HB1 ASP 125 115.801 13.680 2.096 962 H THR 126 HN THR 126 118.256 10.607 2.765 963 HA THR 126 HA THR 126 118.727 9.176 0.287 964 HB THR 126 HB THR 126 120.205 8.618 2.851 965 HG1 THR 126 HG1 THR 126 121.314 10.499 2.600 966 1HG2 THR 126 HG22 THR 126 120.655 7.469 0.598 967 2HG2 THR 126 HG21 THR 126 121.262 9.034 0.055 968 3HG2 THR 126 HG23 THR 126 122.040 8.207 1.404 969 H LYS 127 HN LYS 127 117.454 7.432 -0.160 970 HA LYS 127 HA LYS 127 117.043 5.424 2.022 971 1HB LYS 127 HB2 LYS 127 115.214 6.386 -0.169 972 2HB LYS 127 HB1 LYS 127 115.007 4.776 0.523 973 1HG LYS 127 HG2 LYS 127 114.826 5.757 2.776 974 2HG LYS 127 HG1 LYS 127 115.044 7.369 2.095 975 1HD LYS 127 HD2 LYS 127 112.967 7.302 0.966 976 2HD LYS 127 HD1 LYS 127 112.840 5.550 1.129 977 1HE LYS 127 HE2 LYS 127 111.400 6.226 2.817 978 2HE LYS 127 HE1 LYS 127 112.912 6.116 3.718 979 1HZ LYS 127 HZ2 LYS 127 111.961 8.608 2.423 980 2HZ LYS 127 HZ1 LYS 127 111.638 8.219 4.045 981 3HZ LYS 127 HZ3 LYS 127 113.239 8.439 3.530 982 H MET 128 HN MET 128 116.936 3.165 1.248 983 HA MET 128 HA MET 128 118.900 2.709 -0.912 984 1HB MET 128 HB2 MET 128 118.981 1.510 1.330 985 2HB MET 128 HB1 MET 128 117.534 0.637 0.823 986 1HG MET 128 HG2 MET 128 119.359 -0.767 0.211 987 2HG MET 128 HG1 MET 128 118.839 0.002 -1.289 988 1HE MET 128 HE2 MET 128 121.348 -1.403 -1.178 989 2HE MET 128 HE1 MET 128 121.187 -0.351 -2.583 990 3HE MET 128 HE3 MET 128 122.684 -0.350 -1.640 991 H ILE 129 HN ILE 129 118.436 1.414 -2.758 992 HA ILE 129 HA ILE 129 115.711 1.644 -3.748 993 HB ILE 129 HB ILE 129 116.633 0.432 -5.740 994 1HG1 ILE 129 HG12 ILE 129 119.334 0.610 -4.424 995 2HG1 ILE 129 HG11 ILE 129 118.322 -0.809 -4.155 996 1HG2 ILE 129 HG21 ILE 129 118.065 2.828 -4.590 997 2HG2 ILE 129 HG23 ILE 129 118.454 2.209 -6.194 998 3HG2 ILE 129 HG22 ILE 129 116.826 2.790 -5.845 999 1HD1 ILE 129 HD13 ILE 129 119.114 0.263 -6.879 1000 2HD1 ILE 129 HD12 ILE 129 119.865 -1.119 -6.079 1001 3HD1 ILE 129 HD11 ILE 129 118.171 -1.196 -6.568 1002 HA PRO 130 HA PRO 130 114.200 -2.386 -2.618 1003 1HB PRO 130 HB2 PRO 130 112.494 -2.795 -4.802 1004 2HB PRO 130 HB1 PRO 130 112.093 -1.915 -3.321 1005 1HG PRO 130 HG2 PRO 130 112.421 -0.871 -5.967 1006 2HG PRO 130 HG1 PRO 130 111.992 0.000 -4.488 1007 1HD PRO 130 HD2 PRO 130 114.560 -0.110 -5.875 1008 2HD PRO 130 HD1 PRO 130 114.025 0.991 -4.595 1009 H LEU 131 HN LEU 131 115.513 -4.150 -2.804 1010 HA LEU 131 HA LEU 131 116.410 -4.992 -5.520 1011 1HB LEU 131 HB2 LEU 131 117.434 -5.563 -2.733 1012 2HB LEU 131 HB1 LEU 131 117.972 -6.490 -4.134 1013 HG LEU 131 HG LEU 131 118.069 -3.471 -4.084 1014 1HD1 LEU 131 HD12 LEU 131 119.398 -4.561 -2.192 1015 2HD1 LEU 131 HD11 LEU 131 120.381 -5.315 -3.448 1016 3HD1 LEU 131 HD13 LEU 131 120.327 -3.558 -3.307 1017 1HD2 LEU 131 HD22 LEU 131 119.470 -5.623 -5.700 1018 2HD2 LEU 131 HD21 LEU 131 118.227 -4.516 -6.284 1019 3HD2 LEU 131 HD23 LEU 131 119.814 -3.898 -5.827 1020 H ASN 132 HN ASN 132 116.085 -7.155 -6.208 1021 HA ASN 132 HA ASN 132 113.641 -8.396 -5.294 1022 1HB ASN 132 HB2 ASN 132 114.823 -8.492 -7.638 1023 2HB ASN 132 HB1 ASN 132 115.698 -9.852 -6.934 1024 1HD2 ASN 132 HD22 ASN 132 112.993 -11.908 -7.892 1025 2HD2 ASN 132 HD21 ASN 132 114.657 -11.592 -8.015 1026 H TRP 133 HN TRP 133 113.472 -9.589 -3.469 1027 HA TRP 133 HA TRP 133 115.909 -10.923 -2.397 1028 1HB TRP 133 HB2 TRP 133 113.234 -10.357 -1.084 1029 2HB TRP 133 HB1 TRP 133 114.628 -11.090 -0.289 1030 HD1 TRP 133 HD1 TRP 133 113.203 -7.785 -1.366 1031 HE1 TRP 133 HE1 TRP 133 114.788 -5.883 -0.650 1032 HE3 TRP 133 HE3 TRP 133 117.264 -10.520 0.086 1033 HZ2 TRP 133 HZ2 TRP 133 117.431 -5.563 0.399 1034 HZ3 TRP 133 HZ3 TRP 133 119.300 -9.392 0.937 1035 HH2 TRP 133 HH2 TRP 133 119.389 -6.920 1.096 1036 H ASP 134 HN ASP 134 113.592 -11.816 -4.494 1037 HA ASP 134 HA ASP 134 112.819 -14.362 -3.227 1038 1HB ASP 134 HB2 ASP 134 111.394 -12.867 -4.855 1039 2HB ASP 134 HB1 ASP 134 112.314 -13.694 -6.112 1040 H ASP 135 HN ASP 135 115.095 -13.142 -5.606 1041 HA ASP 135 HA ASP 135 115.925 -15.910 -6.306 1042 1HB ASP 135 HB2 ASP 135 115.606 -13.859 -7.961 1043 2HB ASP 135 HB1 ASP 135 117.246 -13.471 -7.440 1044 H PHE 136 HN PHE 136 116.436 -14.933 -3.637 1045 HA PHE 136 HA PHE 136 119.393 -15.181 -3.639 1046 1HB PHE 136 HB2 PHE 136 117.816 -12.930 -2.378 1047 2HB PHE 136 HB1 PHE 136 119.427 -13.371 -1.811 1048 HD1 PHE 136 HD2 PHE 136 121.400 -13.045 -3.218 1049 HD2 PHE 136 HD1 PHE 136 117.479 -11.964 -4.600 1050 HE1 PHE 136 HE2 PHE 136 122.412 -11.748 -5.074 1051 HE2 PHE 136 HE1 PHE 136 118.491 -10.667 -6.456 1052 HZ PHE 136 HZ PHE 136 120.957 -10.558 -6.693 1053 H THR 137 HN THR 137 120.198 -15.747 -1.427 1054 HA THR 137 HA THR 137 118.113 -16.829 0.395 1055 HB THR 137 HB THR 137 120.503 -18.512 -0.350 1056 HG1 THR 137 HG1 THR 137 119.525 -19.159 -2.090 1057 1HG2 THR 137 HG22 THR 137 117.769 -19.111 0.813 1058 2HG2 THR 137 HG21 THR 137 119.007 -20.318 0.467 1059 3HG2 THR 137 HG23 THR 137 119.293 -19.088 1.700 1060 H LYS 138 HN LYS 138 118.860 -17.055 2.573 1061 HA LYS 138 HA LYS 138 121.257 -15.407 3.164 1062 1HB LYS 138 HB2 LYS 138 118.955 -15.067 4.280 1063 2HB LYS 138 HB1 LYS 138 119.321 -16.535 5.189 1064 1HG LYS 138 HG2 LYS 138 121.113 -15.554 6.315 1065 2HG LYS 138 HG1 LYS 138 121.360 -14.334 5.066 1066 1HD LYS 138 HD2 LYS 138 120.356 -13.105 6.797 1067 2HD LYS 138 HD1 LYS 138 118.989 -13.494 5.753 1068 1HE LYS 138 HE2 LYS 138 119.674 -15.476 7.868 1069 2HE LYS 138 HE1 LYS 138 118.943 -13.960 8.398 1070 1HZ LYS 138 HZ1 LYS 138 117.140 -14.322 6.834 1071 2HZ LYS 138 HZ3 LYS 138 117.844 -15.779 6.323 1072 3HZ LYS 138 HZ2 LYS 138 117.266 -15.628 7.915 1073 H VAL 139 HN VAL 139 123.124 -16.324 3.882 1074 HA VAL 139 HA VAL 139 123.056 -19.231 4.576 1075 HB VAL 139 HB VAL 139 125.485 -19.200 3.947 1076 1HG1 VAL 139 HG13 VAL 139 123.484 -19.672 2.356 1077 2HG1 VAL 139 HG12 VAL 139 123.851 -18.089 1.670 1078 3HG1 VAL 139 HG11 VAL 139 125.064 -19.368 1.635 1079 1HG2 VAL 139 HG21 VAL 139 125.753 -16.726 4.370 1080 2HG2 VAL 139 HG23 VAL 139 126.402 -17.262 2.820 1081 3HG2 VAL 139 HG22 VAL 139 124.848 -16.431 2.885 1082 H SER 140 HN SER 140 124.124 -16.041 5.590 1083 HA SER 140 HA SER 140 124.785 -17.197 8.260 1084 1HB SER 140 HB2 SER 140 126.431 -15.170 6.719 1085 2HB SER 140 HB1 SER 140 126.687 -15.572 8.414 1086 HG SER 140 HG SER 140 128.033 -16.840 7.143 1087 H SER 141 HN SER 141 124.325 -15.785 10.012 1088 HA SER 141 HA SER 141 123.329 -13.075 9.506 1089 1HB SER 141 HB2 SER 141 121.319 -14.337 8.964 1090 2HB SER 141 HB1 SER 141 121.472 -15.282 10.443 1091 HG SER 141 HG SER 141 120.301 -12.910 10.075 1092 H ARG 142 HN ARG 142 124.687 -12.233 11.063 1093 HA ARG 142 HA ARG 142 124.663 -13.479 13.771 1094 1HB ARG 142 HB2 ARG 142 126.852 -12.962 12.539 1095 2HB ARG 142 HB1 ARG 142 126.481 -11.259 12.817 1096 1HG ARG 142 HG2 ARG 142 126.632 -11.478 15.156 1097 2HG ARG 142 HG1 ARG 142 126.442 -13.231 15.095 1098 1HD ARG 142 HD2 ARG 142 128.648 -13.414 13.971 1099 2HD ARG 142 HD1 ARG 142 128.844 -11.667 14.105 1100 HE ARG 142 HE ARG 142 128.330 -12.560 16.707 1101 1HH1 ARG 142 HH11 ARG 142 130.729 -13.161 14.235 1102 2HH1 ARG 142 HH12 ARG 142 131.970 -13.515 15.383 1103 1HH2 ARG 142 HH21 ARG 142 129.966 -13.026 18.159 1104 2HH2 ARG 142 HH22 ARG 142 131.546 -13.441 17.582 1105 H THR 143 HN THR 143 123.789 -12.392 15.498 1106 HA THR 143 HA THR 143 122.481 -9.778 14.916 1107 HB THR 143 HB THR 143 122.033 -11.503 17.357 1108 HG1 THR 143 HG1 THR 143 121.271 -12.899 15.992 1109 1HG2 THR 143 HG23 THR 143 121.219 -9.044 17.057 1110 2HG2 THR 143 HG22 THR 143 120.049 -9.744 15.938 1111 3HG2 THR 143 HG21 THR 143 120.068 -10.253 17.627 1112 H VAL 144 HN VAL 144 123.165 -7.942 15.943 1113 HA VAL 144 HA VAL 144 125.075 -8.248 18.225 1114 HB VAL 144 HB VAL 144 125.280 -6.186 16.010 1115 1HG1 VAL 144 HG11 VAL 144 126.976 -6.889 18.416 1116 2HG1 VAL 144 HG13 VAL 144 127.594 -5.937 17.066 1117 3HG1 VAL 144 HG12 VAL 144 126.243 -5.333 18.026 1118 1HG2 VAL 144 HG23 VAL 144 126.656 -8.839 16.460 1119 2HG2 VAL 144 HG22 VAL 144 125.872 -8.248 14.994 1120 3HG2 VAL 144 HG21 VAL 144 127.411 -7.558 15.510 1121 H GLU 145 HN GLU 145 124.208 -7.288 19.988 1122 HA GLU 145 HA GLU 145 122.161 -5.168 19.622 1123 1HB GLU 145 HB2 GLU 145 123.034 -6.686 22.101 1124 2HB GLU 145 HB1 GLU 145 121.709 -5.522 22.033 1125 1HG GLU 145 HG2 GLU 145 120.547 -7.510 21.721 1126 2HG GLU 145 HG1 GLU 145 120.879 -7.062 20.049 1127 H ASP 146 HN ASP 146 122.320 -3.194 20.933 1128 HA ASP 146 HA ASP 146 125.151 -2.479 21.600 1129 1HB ASP 146 HB2 ASP 146 123.776 -1.405 19.531 1130 2HB ASP 146 HB1 ASP 146 123.264 -0.317 20.822 1131 H THR 147 HN THR 147 124.780 -0.086 22.841 1132 HA THR 147 HA THR 147 123.835 -0.811 25.438 1133 HB THR 147 HB THR 147 124.179 1.537 26.016 1134 HG1 THR 147 HG1 THR 147 124.427 1.935 23.219 1135 1HG2 THR 147 HG23 THR 147 126.152 0.005 25.520 1136 2HG2 THR 147 HG22 THR 147 126.251 0.789 23.943 1137 3HG2 THR 147 HG21 THR 147 126.487 1.734 25.413 1138 H ASN 148 HN ASN 148 122.358 1.156 22.856 1139 HA ASN 148 HA ASN 148 119.810 1.185 24.403 1140 1HB ASN 148 HB2 ASN 148 120.614 2.745 21.926 1141 2HB ASN 148 HB1 ASN 148 119.108 2.941 22.821 1142 1HD2 ASN 148 HD22 ASN 148 121.906 5.327 23.981 1143 2HD2 ASN 148 HD21 ASN 148 121.478 4.854 22.408 1144 HA PRO 149 HA PRO 149 117.847 -1.613 21.556 1145 1HB PRO 149 HB2 PRO 149 115.299 -0.433 21.464 1146 2HB PRO 149 HB1 PRO 149 115.866 -1.604 22.661 1147 1HG PRO 149 HG2 PRO 149 115.243 1.154 23.059 1148 2HG PRO 149 HG1 PRO 149 115.821 -0.020 24.250 1149 1HD PRO 149 HD2 PRO 149 117.299 2.106 22.890 1150 2HD PRO 149 HD1 PRO 149 117.756 1.158 24.315 1151 H ALA 150 HN ALA 150 117.594 1.821 20.846 1152 HA ALA 150 HA ALA 150 116.636 1.451 18.119 1153 1HB ALA 150 HB1 ALA 150 117.779 3.811 19.624 1154 2HB ALA 150 HB3 ALA 150 117.313 3.905 17.926 1155 3HB ALA 150 HB2 ALA 150 116.102 3.537 19.154 1156 H LEU 151 HN LEU 151 119.751 1.429 19.683 1157 HA LEU 151 HA LEU 151 121.161 1.806 17.101 1158 1HB LEU 151 HB2 LEU 151 122.185 1.484 19.936 1159 2HB LEU 151 HB1 LEU 151 123.214 1.720 18.524 1160 HG LEU 151 HG LEU 151 120.978 3.637 19.185 1161 1HD1 LEU 151 HD12 LEU 151 123.863 3.723 20.120 1162 2HD1 LEU 151 HD11 LEU 151 122.721 5.061 20.257 1163 3HD1 LEU 151 HD13 LEU 151 122.437 3.564 21.146 1164 1HD2 LEU 151 HD22 LEU 151 123.378 3.565 17.378 1165 2HD2 LEU 151 HD21 LEU 151 121.725 4.063 17.015 1166 3HD2 LEU 151 HD23 LEU 151 122.779 5.121 17.953 1167 H THR 152 HN THR 152 119.516 -0.640 17.788 1168 HA THR 152 HA THR 152 121.529 -2.772 18.063 1169 HB THR 152 HB THR 152 118.659 -3.234 17.280 1170 HG1 THR 152 HG1 THR 152 118.155 -3.100 19.501 1171 1HG2 THR 152 HG21 THR 152 120.638 -4.973 17.688 1172 2HG2 THR 152 HG23 THR 152 120.161 -4.747 19.370 1173 3HG2 THR 152 HG22 THR 152 118.985 -5.328 18.191 1174 H HIS 153 HN HIS 153 122.383 -3.920 16.348 1175 HA HIS 153 HA HIS 153 121.179 -3.490 13.651 1176 1HB HIS 153 HB2 HIS 153 123.507 -3.331 12.729 1177 2HB HIS 153 HB1 HIS 153 123.073 -1.977 13.771 1178 HD1 HIS 153 HD1 HIS 153 123.945 -2.188 16.334 1179 HD2 HIS 153 HD2 HIS 153 125.763 -4.722 13.567 1180 HE1 HIS 153 HE1 HIS 153 126.076 -3.021 17.419 1181 H THR 154 HN THR 154 121.791 -5.177 12.093 1182 HA THR 154 HA THR 154 122.881 -7.669 13.303 1183 HB THR 154 HB THR 154 120.344 -7.594 11.643 1184 HG1 THR 154 HG1 THR 154 120.715 -7.947 14.432 1185 1HG2 THR 154 HG21 THR 154 122.030 -9.646 11.843 1186 2HG2 THR 154 HG23 THR 154 121.190 -9.875 13.376 1187 3HG2 THR 154 HG22 THR 154 120.284 -9.891 11.862 1188 H TYR 155 HN TYR 155 124.398 -8.509 11.960 1189 HA TYR 155 HA TYR 155 124.734 -7.390 9.269 1190 1HB TYR 155 HB2 TYR 155 126.292 -9.531 10.750 1191 2HB TYR 155 HB1 TYR 155 126.765 -8.816 9.209 1192 HD1 TYR 155 HD1 TYR 155 126.531 -6.071 9.295 1193 HD2 TYR 155 HD2 TYR 155 127.404 -8.672 12.601 1194 HE1 TYR 155 HE1 TYR 155 127.605 -4.186 10.494 1195 HE2 TYR 155 HE2 TYR 155 128.479 -6.785 13.801 1196 HH TYR 155 HH TYR 155 129.528 -4.634 13.275 1197 H GLU 156 HN GLU 156 123.469 -8.196 7.666 1198 HA GLU 156 HA GLU 156 122.806 -11.108 7.708 1199 1HB GLU 156 HB2 GLU 156 121.424 -8.673 6.656 1200 2HB GLU 156 HB1 GLU 156 121.184 -10.194 5.797 1201 1HG GLU 156 HG2 GLU 156 119.489 -10.365 7.361 1202 2HG GLU 156 HG1 GLU 156 120.805 -11.120 8.263 1203 H VAL 157 HN VAL 157 123.931 -12.358 6.309 1204 HA VAL 157 HA VAL 157 125.305 -11.039 4.014 1205 HB VAL 157 HB VAL 157 125.783 -13.797 5.182 1206 1HG1 VAL 157 HG12 VAL 157 126.980 -12.163 2.989 1207 2HG1 VAL 157 HG11 VAL 157 128.078 -13.131 3.973 1208 3HG1 VAL 157 HG13 VAL 157 126.761 -13.910 3.096 1209 1HG2 VAL 157 HG22 VAL 157 126.754 -11.088 5.939 1210 2HG2 VAL 157 HG21 VAL 157 126.581 -12.538 6.928 1211 3HG2 VAL 157 HG23 VAL 157 127.973 -12.360 5.862 1212 H TRP 158 HN TRP 158 123.389 -11.005 2.671 1213 HA TRP 158 HA TRP 158 121.998 -13.494 2.039 1214 1HB TRP 158 HB2 TRP 158 121.934 -10.729 0.802 1215 2HB TRP 158 HB1 TRP 158 120.927 -12.065 0.245 1216 HD1 TRP 158 HD1 TRP 158 121.574 -9.944 3.392 1217 HE1 TRP 158 HE1 TRP 158 119.443 -9.973 4.843 1218 HE3 TRP 158 HE3 TRP 158 118.740 -13.258 0.733 1219 HZ2 TRP 158 HZ2 TRP 158 116.877 -11.234 4.872 1220 HZ3 TRP 158 HZ3 TRP 158 116.459 -13.854 1.494 1221 HH2 TRP 158 HH2 TRP 158 115.525 -12.848 3.558 1222 H GLN 159 HN GLN 159 122.534 -14.919 0.443 1223 HA GLN 159 HA GLN 159 124.725 -14.122 -1.435 1224 1HB GLN 159 HB2 GLN 159 124.113 -16.680 0.007 1225 2HB GLN 159 HB1 GLN 159 124.918 -16.758 -1.561 1226 1HG GLN 159 HG2 GLN 159 125.935 -14.859 0.535 1227 2HG GLN 159 HG1 GLN 159 126.370 -16.567 0.618 1228 1HE2 GLN 159 HE22 GLN 159 129.010 -15.894 -1.622 1229 2HE2 GLN 159 HE21 GLN 159 128.537 -16.518 -0.115 1230 H LYS 160 HN LYS 160 124.522 -14.822 -3.630 1231 HA LYS 160 HA LYS 160 121.721 -15.126 -4.510 1232 1HB LYS 160 HB2 LYS 160 123.627 -13.624 -5.564 1233 2HB LYS 160 HB1 LYS 160 124.055 -15.118 -6.396 1234 1HG LYS 160 HG2 LYS 160 121.166 -14.468 -6.397 1235 2HG LYS 160 HG1 LYS 160 122.183 -13.354 -7.309 1236 1HD LYS 160 HD2 LYS 160 123.055 -15.122 -8.673 1237 2HD LYS 160 HD1 LYS 160 122.347 -16.358 -7.632 1238 1HE LYS 160 HE2 LYS 160 120.073 -15.305 -8.210 1239 2HE LYS 160 HE1 LYS 160 120.926 -14.454 -9.497 1240 1HZ LYS 160 HZ2 LYS 160 121.729 -16.641 -10.280 1241 2HZ LYS 160 HZ1 LYS 160 120.736 -17.392 -9.124 1242 3HZ LYS 160 HZ3 LYS 160 120.040 -16.475 -10.371 1243 H LYS 161 HN LYS 161 120.950 -16.936 -5.653 1244 HA LYS 161 HA LYS 161 122.039 -19.485 -4.970 1245 1HB LYS 161 HB2 LYS 161 120.031 -18.620 -7.060 1246 2HB LYS 161 HB1 LYS 161 120.454 -20.312 -6.799 1247 1HG LYS 161 HG2 LYS 161 119.653 -20.267 -4.549 1248 2HG LYS 161 HG1 LYS 161 119.536 -18.507 -4.553 1249 1HD LYS 161 HD2 LYS 161 117.894 -18.913 -6.572 1250 2HD LYS 161 HD1 LYS 161 117.748 -20.525 -5.873 1251 1HE LYS 161 HE2 LYS 161 117.460 -18.074 -4.146 1252 2HE LYS 161 HE1 LYS 161 116.091 -18.687 -5.073 1253 1HZ LYS 161 HZ3 LYS 161 117.704 -20.380 -3.253 1254 2HZ LYS 161 HZ2 LYS 161 116.295 -19.568 -2.759 1255 3HZ LYS 161 HZ1 LYS 161 116.214 -20.756 -3.969 1256 H ALA 162 HN ALA 162 122.363 -21.114 -7.007 1257 HA ALA 162 HA ALA 162 124.728 -20.030 -8.425 1258 1HB ALA 162 HB1 ALA 162 123.655 -22.784 -7.869 1259 2HB ALA 162 HB3 ALA 162 124.812 -22.546 -9.179 1260 3HB ALA 162 HB2 ALA 162 125.255 -22.124 -7.526 1261 1HN2 MTX 170 1HN2 MTX 170 128.059 -1.307 7.820 1262 2HN2 MTX 170 2HN2 MTX 170 128.077 -1.893 6.227 1263 1HN4 MTX 170 1HN4 MTX 170 128.706 1.020 2.560 1264 2HN4 MTX 170 2HN4 MTX 170 128.921 2.683 2.823 1265 H7 MTX 170 H7 MTX 170 129.007 5.588 7.948 1266 1H9 MTX 170 H91 MTX 170 128.330 6.858 5.104 1267 2H9 MTX 170 H92 MTX 170 129.904 6.365 4.464 1268 1HM MTX 170 HM1 MTX 170 130.156 9.239 6.951 1269 2HM MTX 170 HM2 MTX 170 128.892 8.962 5.715 1270 3HM MTX 170 HM3 MTX 170 128.619 8.442 7.404 1271 H12 MTX 170 H13 MTX 170 132.909 7.269 9.866 1272 H13 MTX 170 H12 MTX 170 130.785 7.986 8.768 1273 H15 MTX 170 H16 MTX 170 131.817 5.646 5.265 1274 H16 MTX 170 H15 MTX 170 133.939 4.935 6.372 1275 HN MTX 170 HN MTX 170 134.571 3.738 8.096 1276 HA MTX 170 HA MTX 170 137.138 4.585 9.098 1277 1HB MTX 170 HB1 MTX 170 135.685 2.618 10.906 1278 2HB MTX 170 HB2 MTX 170 135.484 4.345 11.155 1279 1HG MTX 170 HG1 MTX 170 138.003 4.582 11.289 1280 2HG MTX 170 HG2 MTX 170 138.159 2.838 11.102 1281 HN1 MTX 170 H1N MTX 170 128.345 0.953 8.253 No H/Q in entry = 1281 Start of MODEL 10 1 1H THR 1 HT3 THR 1 132.813 -8.298 -5.902 2 2H THR 1 HT2 THR 1 132.224 -9.054 -7.306 3 3H THR 1 HT1 THR 1 133.257 -7.710 -7.430 4 HA THR 1 HA THR 1 131.635 -6.218 -6.723 5 HB THR 1 HB THR 1 129.929 -8.207 -8.202 6 HG1 THR 1 HG1 THR 1 131.127 -7.996 -9.961 7 1HG2 THR 1 HG21 THR 1 130.290 -5.217 -8.119 8 2HG2 THR 1 HG23 THR 1 129.504 -5.994 -9.493 9 3HG2 THR 1 HG22 THR 1 128.818 -6.157 -7.877 10 H ALA 2 HN ALA 2 130.463 -5.833 -4.915 11 HA ALA 2 HA ALA 2 128.326 -7.639 -4.076 12 1HB ALA 2 HB2 ALA 2 130.839 -7.343 -2.408 13 2HB ALA 2 HB1 ALA 2 129.309 -7.938 -1.761 14 3HB ALA 2 HB3 ALA 2 130.138 -8.837 -3.032 15 H PHE 3 HN PHE 3 126.749 -6.379 -3.217 16 HA PHE 3 HA PHE 3 127.151 -3.541 -2.837 17 1HB PHE 3 HB2 PHE 3 124.884 -5.466 -2.511 18 2HB PHE 3 HB1 PHE 3 124.764 -3.911 -1.691 19 HD1 PHE 3 HD1 PHE 3 126.312 -4.816 -4.995 20 HD2 PHE 3 HD2 PHE 3 123.265 -2.605 -2.922 21 HE1 PHE 3 HE1 PHE 3 125.649 -3.732 -7.123 22 HE2 PHE 3 HE2 PHE 3 122.604 -1.522 -5.052 23 HZ PHE 3 HZ PHE 3 123.795 -2.083 -7.151 24 H LEU 4 HN LEU 4 126.791 -2.391 -0.778 25 HA LEU 4 HA LEU 4 126.935 -3.885 1.731 26 1HB LEU 4 HB2 LEU 4 129.300 -3.950 0.899 27 2HB LEU 4 HB1 LEU 4 129.311 -2.187 0.917 28 HG LEU 4 HG LEU 4 128.569 -2.404 3.387 29 1HD1 LEU 4 HD11 LEU 4 129.358 -5.219 2.675 30 2HD1 LEU 4 HD13 LEU 4 129.634 -4.616 4.310 31 3HD1 LEU 4 HD12 LEU 4 127.999 -4.659 3.651 32 1HD2 LEU 4 HD23 LEU 4 131.277 -3.006 2.234 33 2HD2 LEU 4 HD22 LEU 4 130.729 -1.569 3.096 34 3HD2 LEU 4 HD21 LEU 4 131.058 -3.058 3.983 35 H TRP 5 HN TRP 5 125.415 -2.686 2.799 36 HA TRP 5 HA TRP 5 125.974 0.156 3.275 37 1HB TRP 5 HB2 TRP 5 123.867 0.999 2.439 38 2HB TRP 5 HB1 TRP 5 124.645 0.106 1.137 39 HD1 TRP 5 HD1 TRP 5 121.459 0.397 2.919 40 HE1 TRP 5 HE1 TRP 5 119.899 -1.580 2.375 41 HE3 TRP 5 HE3 TRP 5 124.785 -2.770 0.671 42 HZ2 TRP 5 HZ2 TRP 5 120.038 -4.158 1.154 43 HZ3 TRP 5 HZ3 TRP 5 124.041 -4.978 -0.167 44 HH2 TRP 5 HH2 TRP 5 121.674 -5.675 0.070 45 H ALA 6 HN ALA 6 124.268 1.062 4.849 46 HA ALA 6 HA ALA 6 123.338 -1.125 6.671 47 1HB ALA 6 HB3 ALA 6 124.410 1.617 7.410 48 2HB ALA 6 HB2 ALA 6 123.794 0.421 8.551 49 3HB ALA 6 HB1 ALA 6 125.259 0.087 7.629 50 H GLN 7 HN GLN 7 121.165 -1.100 6.994 51 HA GLN 7 HA GLN 7 119.721 1.499 6.754 52 1HB GLN 7 HB2 GLN 7 117.898 0.296 5.525 53 2HB GLN 7 HB1 GLN 7 119.407 0.379 4.618 54 1HG GLN 7 HG2 GLN 7 119.842 -1.875 4.860 55 2HG GLN 7 HG1 GLN 7 118.985 -1.982 6.399 56 1HE2 GLN 7 HE22 GLN 7 116.525 -1.782 3.109 57 2HE2 GLN 7 HE21 GLN 7 117.833 -0.708 3.234 58 H ASP 8 HN ASP 8 117.288 1.014 7.471 59 HA ASP 8 HA ASP 8 117.404 -0.723 9.906 60 1HB ASP 8 HB2 ASP 8 115.854 0.954 10.961 61 2HB ASP 8 HB1 ASP 8 117.454 1.603 10.605 62 H ARG 9 HN ARG 9 114.803 -0.701 10.680 63 HA ARG 9 HA ARG 9 113.524 -2.502 8.898 64 1HB ARG 9 HB2 ARG 9 111.497 -2.131 10.290 65 2HB ARG 9 HB1 ARG 9 112.937 -2.395 11.273 66 1HG ARG 9 HG2 ARG 9 113.187 0.062 11.538 67 2HG ARG 9 HG1 ARG 9 111.710 0.297 10.602 68 1HD ARG 9 HD2 ARG 9 111.940 -1.190 13.235 69 2HD ARG 9 HD1 ARG 9 111.194 0.389 12.993 70 HE ARG 9 HE ARG 9 109.993 -2.192 12.360 71 1HH1 ARG 9 HH21 ARG 9 110.048 1.220 11.591 72 2HH1 ARG 9 HH22 ARG 9 108.438 1.206 10.964 73 1HH2 ARG 9 HH11 ARG 9 107.914 -2.163 11.536 74 2HH2 ARG 9 HH12 ARG 9 107.241 -0.687 10.931 75 H ASP 10 HN ASP 10 113.203 1.014 9.245 76 HA ASP 10 HA ASP 10 110.981 1.274 7.418 77 1HB ASP 10 HB2 ASP 10 112.985 3.148 8.631 78 2HB ASP 10 HB1 ASP 10 112.011 3.706 7.271 79 H GLY 11 HN GLY 11 114.506 1.716 7.030 80 1HA GLY 11 HA2 GLY 11 115.475 0.746 4.916 81 2HA GLY 11 HA1 GLY 11 114.093 1.451 4.076 82 H LEU 12 HN LEU 12 116.020 2.960 6.645 83 HA LEU 12 HA LEU 12 116.583 5.214 4.787 84 1HB LEU 12 HB2 LEU 12 115.570 5.421 7.207 85 2HB LEU 12 HB1 LEU 12 117.248 5.239 7.718 86 HG LEU 12 HG LEU 12 117.709 7.081 5.902 87 1HD1 LEU 12 HD11 LEU 12 115.234 6.914 5.183 88 2HD1 LEU 12 HD13 LEU 12 114.880 7.822 6.652 89 3HD1 LEU 12 HD12 LEU 12 115.902 8.531 5.403 90 1HD2 LEU 12 HD22 LEU 12 117.888 7.226 8.449 91 2HD2 LEU 12 HD21 LEU 12 117.579 8.749 7.615 92 3HD2 LEU 12 HD23 LEU 12 116.261 7.905 8.430 93 H ILE 13 HN ILE 13 118.657 5.671 4.136 94 HA ILE 13 HA ILE 13 120.882 4.141 5.417 95 HB ILE 13 HB ILE 13 121.891 3.921 3.131 96 1HG1 ILE 13 HG12 ILE 13 119.205 4.475 1.941 97 2HG1 ILE 13 HG11 ILE 13 120.216 5.861 2.356 98 1HG2 ILE 13 HG23 ILE 13 119.130 2.720 3.510 99 2HG2 ILE 13 HG22 ILE 13 120.347 2.123 2.383 100 3HG2 ILE 13 HG21 ILE 13 120.644 2.052 4.120 101 1HD1 ILE 13 HD12 ILE 13 121.331 3.542 0.784 102 2HD1 ILE 13 HD11 ILE 13 120.473 4.857 -0.017 103 3HD1 ILE 13 HD13 ILE 13 121.945 5.191 0.896 104 H GLY 14 HN GLY 14 119.973 6.920 5.803 105 1HA GLY 14 HA2 GLY 14 122.292 8.340 6.095 106 2HA GLY 14 HA1 GLY 14 121.907 8.616 4.395 107 H LYS 15 HN LYS 15 121.941 10.686 6.361 108 HA LYS 15 HA LYS 15 119.179 11.673 6.034 109 1HB LYS 15 HB2 LYS 15 119.290 10.447 8.257 110 2HB LYS 15 HB1 LYS 15 120.459 11.661 8.779 111 1HG LYS 15 HG2 LYS 15 118.725 13.416 8.105 112 2HG LYS 15 HG1 LYS 15 117.573 12.086 7.985 113 1HD LYS 15 HD2 LYS 15 117.694 11.604 10.283 114 2HD LYS 15 HD1 LYS 15 119.234 12.444 10.471 115 1HE LYS 15 HE2 LYS 15 118.108 14.602 10.044 116 2HE LYS 15 HE1 LYS 15 116.568 13.761 9.873 117 1HZ LYS 15 HZ1 LYS 15 118.257 13.633 12.308 118 2HZ LYS 15 HZ3 LYS 15 116.968 14.717 12.111 119 3HZ LYS 15 HZ2 LYS 15 116.675 13.043 12.123 120 H ASP 16 HN ASP 16 119.570 13.601 5.068 121 HA ASP 16 HA ASP 16 120.484 15.716 4.640 122 1HB ASP 16 HB2 ASP 16 120.807 15.332 7.578 123 2HB ASP 16 HB1 ASP 16 121.727 16.642 6.835 124 H GLY 17 HN GLY 17 122.117 13.235 4.249 125 1HA GLY 17 HA2 GLY 17 124.262 13.131 3.151 126 2HA GLY 17 HA1 GLY 17 124.739 14.602 3.999 127 H HIS 18 HN HIS 18 124.088 13.903 6.630 128 HA HIS 18 HA HIS 18 126.205 11.899 7.177 129 1HB HIS 18 HB2 HIS 18 126.001 12.738 9.533 130 2HB HIS 18 HB1 HIS 18 126.414 14.004 8.377 131 HD1 HIS 18 HD1 HIS 18 123.580 12.748 10.511 132 HD2 HIS 18 HD2 HIS 18 124.393 15.957 7.978 133 HE1 HIS 18 HE1 HIS 18 121.701 14.415 10.841 134 H LEU 19 HN LEU 19 125.740 10.397 9.093 135 HA LEU 19 HA LEU 19 123.273 8.943 8.542 136 1HB LEU 19 HB2 LEU 19 125.652 8.531 10.330 137 2HB LEU 19 HB1 LEU 19 124.193 7.574 10.593 138 HG LEU 19 HG LEU 19 125.486 7.820 7.871 139 1HD1 LEU 19 HD11 LEU 19 126.052 5.895 10.131 140 2HD1 LEU 19 HD13 LEU 19 126.364 5.471 8.448 141 3HD1 LEU 19 HD12 LEU 19 127.205 6.836 9.184 142 1HD2 LEU 19 HD21 LEU 19 123.406 6.055 9.164 143 2HD2 LEU 19 HD23 LEU 19 123.277 6.995 7.677 144 3HD2 LEU 19 HD22 LEU 19 124.265 5.534 7.714 145 HA PRO 20 HA PRO 20 120.817 10.788 11.775 146 1HB PRO 20 HB2 PRO 20 118.983 8.699 12.033 147 2HB PRO 20 HB1 PRO 20 118.884 10.021 10.863 148 1HG PRO 20 HG2 PRO 20 119.411 7.233 10.381 149 2HG PRO 20 HG1 PRO 20 119.188 8.537 9.208 150 1HD PRO 20 HD2 PRO 20 121.654 7.264 10.053 151 2HD PRO 20 HD1 PRO 20 121.392 8.426 8.743 152 H TRP 21 HN TRP 21 121.731 7.367 12.152 153 HA TRP 21 HA TRP 21 121.609 7.688 15.111 154 1HB TRP 21 HB2 TRP 21 121.890 5.194 15.127 155 2HB TRP 21 HB1 TRP 21 120.444 5.725 14.270 156 HD1 TRP 21 HD1 TRP 21 124.050 4.570 13.562 157 HE1 TRP 21 HE1 TRP 21 124.121 3.529 11.205 158 HE3 TRP 21 HE3 TRP 21 119.270 5.518 12.036 159 HZ2 TRP 21 HZ2 TRP 21 122.378 3.149 8.967 160 HZ3 TRP 21 HZ3 TRP 21 118.503 4.807 9.790 161 HH2 TRP 21 HH2 TRP 21 120.050 3.625 8.254 162 H HIS 22 HN HIS 22 123.479 6.038 16.056 163 HA HIS 22 HA HIS 22 126.052 6.643 14.694 164 1HB HIS 22 HB2 HIS 22 125.555 8.457 16.380 165 2HB HIS 22 HB1 HIS 22 125.583 7.216 17.634 166 HD1 HIS 22 HD1 HIS 22 127.852 8.574 14.885 167 HD2 HIS 22 HD2 HIS 22 128.128 6.668 18.583 168 HE1 HIS 22 HE1 HIS 22 130.318 8.471 15.456 169 H LEU 23 HN LEU 23 126.357 4.426 14.295 170 HA LEU 23 HA LEU 23 126.587 2.696 16.724 171 1HB LEU 23 HB2 LEU 23 124.853 2.190 14.806 172 2HB LEU 23 HB1 LEU 23 126.272 1.563 13.966 173 HG LEU 23 HG LEU 23 126.758 0.214 16.080 174 1HD1 LEU 23 HD13 LEU 23 123.930 1.137 16.661 175 2HD1 LEU 23 HD12 LEU 23 124.706 -0.218 17.479 176 3HD1 LEU 23 HD11 LEU 23 125.361 1.410 17.654 177 1HD2 LEU 23 HD22 LEU 23 124.540 -0.194 14.133 178 2HD2 LEU 23 HD21 LEU 23 125.972 -1.179 14.426 179 3HD2 LEU 23 HD23 LEU 23 124.589 -1.286 15.517 180 HA PRO 24 HA PRO 24 130.926 2.727 15.374 181 1HB PRO 24 HB2 PRO 24 131.818 1.469 17.714 182 2HB PRO 24 HB1 PRO 24 131.723 3.214 17.443 183 1HG PRO 24 HG2 PRO 24 130.157 1.609 19.223 184 2HG PRO 24 HG1 PRO 24 130.090 3.359 18.975 185 1HD PRO 24 HD2 PRO 24 128.273 1.299 17.993 186 2HD PRO 24 HD1 PRO 24 128.063 3.057 18.016 187 H ASP 25 HN ASP 25 129.111 -0.017 16.633 188 HA ASP 25 HA ASP 25 130.988 -2.079 15.966 189 1HB ASP 25 HB2 ASP 25 128.819 -2.217 17.390 190 2HB ASP 25 HB1 ASP 25 127.996 -2.446 15.847 191 H ASP 26 HN ASP 26 128.374 -0.525 14.131 192 HA ASP 26 HA ASP 26 128.625 -2.221 11.807 193 1HB ASP 26 HB2 ASP 26 126.670 -0.654 12.478 194 2HB ASP 26 HB1 ASP 26 127.631 0.629 11.746 195 H LEU 27 HN LEU 27 130.254 0.690 12.908 196 HA LEU 27 HA LEU 27 131.472 1.348 10.363 197 1HB LEU 27 HB2 LEU 27 132.201 2.077 13.214 198 2HB LEU 27 HB1 LEU 27 133.023 2.730 11.796 199 HG LEU 27 HG LEU 27 130.025 2.904 12.109 200 1HD1 LEU 27 HD13 LEU 27 132.192 4.576 13.326 201 2HD1 LEU 27 HD12 LEU 27 130.743 5.386 12.730 202 3HD1 LEU 27 HD11 LEU 27 130.611 4.147 13.978 203 1HD2 LEU 27 HD23 LEU 27 131.133 3.260 9.871 204 2HD2 LEU 27 HD22 LEU 27 130.249 4.668 10.461 205 3HD2 LEU 27 HD21 LEU 27 132.008 4.616 10.580 206 H HIS 28 HN HIS 28 132.392 -0.657 13.127 207 HA HIS 28 HA HIS 28 135.111 -1.124 12.381 208 1HB HIS 28 HB2 HIS 28 133.192 -2.953 13.858 209 2HB HIS 28 HB1 HIS 28 134.947 -3.122 13.826 210 HD1 HIS 28 HD1 HIS 28 135.657 -0.088 14.124 211 HD2 HIS 28 HD2 HIS 28 132.916 -2.118 16.519 212 HE1 HIS 28 HE1 HIS 28 135.487 1.222 16.285 213 H TYR 29 HN TYR 29 132.090 -2.768 11.498 214 HA TYR 29 HA TYR 29 133.346 -4.889 10.001 215 1HB TYR 29 HB2 TYR 29 130.891 -4.678 10.881 216 2HB TYR 29 HB1 TYR 29 130.604 -3.826 9.364 217 HD1 TYR 29 HD1 TYR 29 132.383 -6.911 10.563 218 HD2 TYR 29 HD2 TYR 29 129.914 -5.104 7.550 219 HE1 TYR 29 HE1 TYR 29 132.261 -9.078 9.364 220 HE2 TYR 29 HE2 TYR 29 129.791 -7.272 6.351 221 HH TYR 29 HH TYR 29 131.586 -9.496 6.391 222 H PHE 30 HN PHE 30 132.231 -1.635 9.187 223 HA PHE 30 HA PHE 30 132.439 -1.851 6.344 224 1HB PHE 30 HB2 PHE 30 131.358 0.042 7.639 225 2HB PHE 30 HB1 PHE 30 132.983 0.633 7.993 226 HD1 PHE 30 HD1 PHE 30 130.947 -0.538 5.061 227 HD2 PHE 30 HD2 PHE 30 133.925 2.184 6.535 228 HE1 PHE 30 HE1 PHE 30 131.030 0.572 2.844 229 HE2 PHE 30 HE2 PHE 30 134.006 3.295 4.319 230 HZ PHE 30 HZ PHE 30 132.559 2.489 2.474 231 H ARG 31 HN ARG 31 134.802 -0.828 8.811 232 HA ARG 31 HA ARG 31 136.925 -0.263 6.959 233 1HB ARG 31 HB2 ARG 31 136.705 0.345 9.487 234 2HB ARG 31 HB1 ARG 31 137.403 -1.251 9.765 235 1HG ARG 31 HG2 ARG 31 139.360 -0.683 8.436 236 2HG ARG 31 HG1 ARG 31 138.647 0.869 7.991 237 1HD ARG 31 HD2 ARG 31 140.173 1.326 9.780 238 2HD ARG 31 HD1 ARG 31 138.556 1.403 10.479 239 HE ARG 31 HE ARG 31 139.085 -0.489 11.779 240 1HH1 ARG 31 HH11 ARG 31 141.358 -0.168 9.140 241 2HH1 ARG 31 HH12 ARG 31 142.370 -1.441 9.725 242 1HH2 ARG 31 HH21 ARG 31 140.423 -2.130 12.500 243 2HH2 ARG 31 HH22 ARG 31 141.849 -2.541 11.606 244 H ALA 32 HN ALA 32 135.836 -3.203 8.573 245 HA ALA 32 HA ALA 32 138.147 -4.792 7.813 246 1HB ALA 32 HB1 ALA 32 135.358 -5.555 8.726 247 2HB ALA 32 HB3 ALA 32 136.651 -6.721 8.445 248 3HB ALA 32 HB2 ALA 32 136.821 -5.502 9.710 249 H GLN 33 HN GLN 33 135.058 -3.991 6.342 250 HA GLN 33 HA GLN 33 135.557 -5.922 4.137 251 1HB GLN 33 HB2 GLN 33 133.167 -4.177 4.799 252 2HB GLN 33 HB1 GLN 33 133.261 -5.237 3.393 253 1HG GLN 33 HG2 GLN 33 133.745 -6.292 6.177 254 2HG GLN 33 HG1 GLN 33 132.114 -6.173 5.514 255 1HE2 GLN 33 HE22 GLN 33 134.258 -9.354 4.531 256 2HE2 GLN 33 HE21 GLN 33 134.520 -8.387 5.901 257 H THR 34 HN THR 34 137.271 -3.601 4.431 258 HA THR 34 HA THR 34 136.766 -2.363 1.780 259 HB THR 34 HB THR 34 137.421 -0.117 2.786 260 HG1 THR 34 HG1 THR 34 136.673 -1.429 5.181 261 1HG2 THR 34 HG22 THR 34 134.842 -1.498 3.546 262 2HG2 THR 34 HG21 THR 34 135.106 0.228 3.788 263 3HG2 THR 34 HG23 THR 34 135.136 -0.449 2.160 264 H VAL 35 HN VAL 35 138.996 -2.621 4.558 265 HA VAL 35 HA VAL 35 141.355 -1.798 3.193 266 HB VAL 35 HB VAL 35 142.565 -3.050 4.979 267 1HG1 VAL 35 HG13 VAL 35 141.481 -0.758 5.301 268 2HG1 VAL 35 HG12 VAL 35 140.170 -1.600 6.125 269 3HG1 VAL 35 HG11 VAL 35 141.807 -1.668 6.776 270 1HG2 VAL 35 HG23 VAL 35 139.870 -4.278 5.237 271 2HG2 VAL 35 HG22 VAL 35 141.458 -4.970 5.568 272 3HG2 VAL 35 HG21 VAL 35 140.695 -3.908 6.751 273 H GLY 36 HN GLY 36 142.655 -2.838 1.745 274 1HA GLY 36 HA2 GLY 36 143.573 -4.581 0.453 275 2HA GLY 36 HA1 GLY 36 142.814 -5.731 1.555 276 H LYS 37 HN LYS 37 140.997 -3.211 -0.081 277 HA LYS 37 HA LYS 37 140.012 -5.083 -2.139 278 1HB LYS 37 HB2 LYS 37 138.201 -3.888 -0.018 279 2HB LYS 37 HB1 LYS 37 137.641 -4.738 -1.458 280 1HG LYS 37 HG2 LYS 37 139.098 -6.700 -0.682 281 2HG LYS 37 HG1 LYS 37 139.222 -5.856 0.862 282 1HD LYS 37 HD2 LYS 37 136.640 -5.730 0.776 283 2HD LYS 37 HD1 LYS 37 136.757 -6.972 -0.470 284 1HE LYS 37 HE2 LYS 37 138.289 -8.205 1.247 285 2HE LYS 37 HE1 LYS 37 137.544 -7.131 2.430 286 1HZ LYS 37 HZ3 LYS 37 135.356 -7.888 1.540 287 2HZ LYS 37 HZ2 LYS 37 136.186 -9.069 0.645 288 3HZ LYS 37 HZ1 LYS 37 136.244 -9.088 2.343 289 H ILE 38 HN ILE 38 138.008 -3.757 -3.253 290 HA ILE 38 HA ILE 38 139.142 -1.049 -3.811 291 HB ILE 38 HB ILE 38 137.261 -2.699 -5.527 292 1HG1 ILE 38 HG12 ILE 38 140.215 -2.242 -5.988 293 2HG1 ILE 38 HG11 ILE 38 139.618 -3.649 -5.107 294 1HG2 ILE 38 HG21 ILE 38 137.225 -0.229 -5.874 295 2HG2 ILE 38 HG23 ILE 38 138.963 -0.271 -6.170 296 3HG2 ILE 38 HG22 ILE 38 137.860 -1.096 -7.272 297 1HD1 ILE 38 HD11 ILE 38 138.056 -4.002 -7.148 298 2HD1 ILE 38 HD13 ILE 38 139.144 -2.898 -7.989 299 3HD1 ILE 38 HD12 ILE 38 139.761 -4.414 -7.334 300 H MET 39 HN MET 39 138.053 0.314 -2.424 301 HA MET 39 HA MET 39 135.200 -0.026 -1.865 302 1HB MET 39 HB2 MET 39 137.035 0.965 -0.305 303 2HB MET 39 HB1 MET 39 136.794 2.450 -1.227 304 1HG MET 39 HG2 MET 39 134.414 2.451 -0.672 305 2HG MET 39 HG1 MET 39 134.586 0.910 0.169 306 1HE MET 39 HE1 MET 39 135.854 4.211 -0.423 307 2HE MET 39 HE3 MET 39 135.221 5.048 1.001 308 3HE MET 39 HE2 MET 39 136.925 4.611 0.917 309 H VAL 40 HN VAL 40 133.827 0.444 -3.525 310 HA VAL 40 HA VAL 40 134.449 2.703 -5.343 311 HB VAL 40 HB VAL 40 132.144 0.735 -5.450 312 1HG1 VAL 40 HG12 VAL 40 133.252 2.834 -7.309 313 2HG1 VAL 40 HG11 VAL 40 132.339 1.462 -7.937 314 3HG1 VAL 40 HG13 VAL 40 131.581 2.581 -6.804 315 1HG2 VAL 40 HG21 VAL 40 134.904 0.680 -6.700 316 2HG2 VAL 40 HG23 VAL 40 134.186 -0.529 -5.636 317 3HG2 VAL 40 HG22 VAL 40 133.566 -0.317 -7.273 318 H VAL 41 HN VAL 41 133.641 4.674 -4.852 319 HA VAL 41 HA VAL 41 130.941 4.847 -3.611 320 HB VAL 41 HB VAL 41 131.799 6.660 -2.105 321 1HG1 VAL 41 HG12 VAL 41 133.003 3.890 -1.871 322 2HG1 VAL 41 HG11 VAL 41 133.041 5.078 -0.569 323 3HG1 VAL 41 HG13 VAL 41 131.496 4.464 -1.157 324 1HG2 VAL 41 HG23 VAL 41 134.447 5.692 -3.220 325 2HG2 VAL 41 HG22 VAL 41 133.793 7.329 -3.289 326 3HG2 VAL 41 HG21 VAL 41 134.309 6.649 -1.745 327 H GLY 42 HN GLY 42 129.880 6.887 -4.037 328 1HA GLY 42 HA2 GLY 42 130.790 8.122 -6.561 329 2HA GLY 42 HA1 GLY 42 129.222 8.374 -5.792 330 H ARG 43 HN ARG 43 129.659 10.698 -6.182 331 HA ARG 43 HA ARG 43 131.819 11.955 -4.636 332 1HB ARG 43 HB2 ARG 43 130.743 12.724 -6.919 333 2HB ARG 43 HB1 ARG 43 129.549 13.488 -5.869 334 1HG ARG 43 HG2 ARG 43 131.495 14.535 -4.609 335 2HG ARG 43 HG1 ARG 43 132.538 13.963 -5.912 336 1HD ARG 43 HD2 ARG 43 131.899 16.250 -6.404 337 2HD ARG 43 HD1 ARG 43 131.066 15.189 -7.539 338 HE ARG 43 HE ARG 43 129.434 15.666 -5.210 339 1HH1 ARG 43 HH11 ARG 43 130.546 17.135 -8.182 340 2HH1 ARG 43 HH12 ARG 43 129.158 18.159 -8.312 341 1HH2 ARG 43 HH21 ARG 43 127.656 17.008 -5.418 342 2HH2 ARG 43 HH22 ARG 43 127.539 18.090 -6.765 343 H ARG 44 HN ARG 44 128.342 11.445 -4.368 344 HA ARG 44 HA ARG 44 127.924 13.259 -2.161 345 1HB ARG 44 HB2 ARG 44 126.237 11.962 -3.799 346 2HB ARG 44 HB1 ARG 44 126.211 10.836 -2.442 347 1HG ARG 44 HG2 ARG 44 125.500 12.554 -0.921 348 2HG ARG 44 HG1 ARG 44 125.781 13.815 -2.122 349 1HD ARG 44 HD2 ARG 44 123.913 13.197 -3.399 350 2HD ARG 44 HD1 ARG 44 123.857 11.576 -2.706 351 HE ARG 44 HE ARG 44 122.571 12.438 -0.932 352 1HH1 ARG 44 HH11 ARG 44 124.178 15.042 -2.627 353 2HH1 ARG 44 HH12 ARG 44 123.346 16.268 -1.736 354 1HH2 ARG 44 HH21 ARG 44 121.516 14.057 0.193 355 2HH2 ARG 44 HH22 ARG 44 121.854 15.720 -0.157 356 H THR 45 HN THR 45 128.984 9.921 -2.426 357 HA THR 45 HA THR 45 128.780 9.505 0.493 358 HB THR 45 HB THR 45 130.151 7.598 -1.383 359 HG1 THR 45 HG1 THR 45 128.328 7.952 -2.508 360 1HG2 THR 45 HG21 THR 45 130.026 7.193 1.081 361 2HG2 THR 45 HG23 THR 45 128.267 7.193 0.955 362 3HG2 THR 45 HG22 THR 45 129.208 5.948 0.135 363 H TYR 46 HN TYR 46 131.217 10.126 -1.979 364 HA TYR 46 HA TYR 46 133.534 9.576 -0.386 365 1HB TYR 46 HB2 TYR 46 133.484 9.931 -2.894 366 2HB TYR 46 HB1 TYR 46 133.309 11.657 -2.577 367 HD1 TYR 46 HD1 TYR 46 135.404 8.849 -1.212 368 HD2 TYR 46 HD2 TYR 46 135.289 12.859 -2.748 369 HE1 TYR 46 HE1 TYR 46 137.857 9.040 -0.896 370 HE2 TYR 46 HE2 TYR 46 137.741 13.050 -2.432 371 HH TYR 46 HH TYR 46 139.496 11.972 -0.980 372 H GLU 47 HN GLU 47 131.486 12.432 -0.737 373 HA GLU 47 HA GLU 47 133.235 14.131 0.873 374 1HB GLU 47 HB2 GLU 47 130.404 14.447 -0.153 375 2HB GLU 47 HB1 GLU 47 131.216 15.676 0.816 376 1HG GLU 47 HG2 GLU 47 132.949 15.944 -0.836 377 2HG GLU 47 HG1 GLU 47 132.370 14.549 -1.746 378 H SER 48 HN SER 48 130.595 11.924 1.478 379 HA SER 48 HA SER 48 129.729 12.927 4.008 380 1HB SER 48 HB2 SER 48 129.819 10.030 3.127 381 2HB SER 48 HB1 SER 48 128.768 10.728 4.356 382 HG SER 48 HG SER 48 127.456 11.090 2.762 383 H PHE 49 HN PHE 49 132.475 10.928 3.068 384 HA PHE 49 HA PHE 49 133.176 10.014 5.697 385 1HB PHE 49 HB2 PHE 49 135.052 10.544 3.374 386 2HB PHE 49 HB1 PHE 49 135.343 9.471 4.741 387 HD1 PHE 49 HD2 PHE 49 133.003 7.910 5.110 388 HD2 PHE 49 HD1 PHE 49 134.674 9.341 1.420 389 HE1 PHE 49 HE2 PHE 49 131.897 6.055 3.891 390 HE2 PHE 49 HE1 PHE 49 133.568 7.485 0.201 391 HZ PHE 49 HZ PHE 49 132.180 5.843 1.436 392 HA PRO 50 HA PRO 50 135.002 13.697 7.414 393 1HB PRO 50 HB2 PRO 50 136.717 12.457 9.225 394 2HB PRO 50 HB1 PRO 50 135.000 12.786 9.499 395 1HG PRO 50 HG2 PRO 50 136.304 10.244 9.142 396 2HG PRO 50 HG1 PRO 50 134.611 10.575 9.534 397 1HD PRO 50 HD2 PRO 50 135.772 9.799 6.981 398 2HD PRO 50 HD1 PRO 50 134.068 9.891 7.449 399 H LYS 51 HN LYS 51 137.501 11.137 7.146 400 HA LYS 51 HA LYS 51 139.420 13.199 6.185 401 1HB LYS 51 HB2 LYS 51 139.899 11.483 8.098 402 2HB LYS 51 HB1 LYS 51 140.130 10.334 6.780 403 1HG LYS 51 HG2 LYS 51 142.283 11.132 6.904 404 2HG LYS 51 HG1 LYS 51 141.617 12.356 5.823 405 1HD LYS 51 HD2 LYS 51 141.322 13.914 7.601 406 2HD LYS 51 HD1 LYS 51 141.570 12.671 8.829 407 1HE LYS 51 HE2 LYS 51 143.918 12.385 7.770 408 2HE LYS 51 HE1 LYS 51 143.610 13.946 7.010 409 1HZ LYS 51 HZ3 LYS 51 143.444 13.419 9.927 410 2HZ LYS 51 HZ2 LYS 51 144.770 14.141 9.146 411 3HZ LYS 51 HZ1 LYS 51 143.260 14.922 9.164 412 H ARG 52 HN ARG 52 139.482 13.402 4.002 413 HA ARG 52 HA ARG 52 139.117 10.932 2.356 414 1HB ARG 52 HB2 ARG 52 138.611 13.806 1.528 415 2HB ARG 52 HB1 ARG 52 138.254 12.362 0.581 416 1HG ARG 52 HG2 ARG 52 136.472 11.735 1.960 417 2HG ARG 52 HG1 ARG 52 137.072 12.671 3.328 418 1HD ARG 52 HD2 ARG 52 136.692 14.637 1.452 419 2HD ARG 52 HD1 ARG 52 135.380 13.523 1.070 420 HE ARG 52 HE ARG 52 135.384 13.869 3.876 421 1HH1 ARG 52 HH21 ARG 52 134.867 15.778 0.991 422 2HH1 ARG 52 HH22 ARG 52 133.774 16.859 1.782 423 1HH2 ARG 52 HH11 ARG 52 133.966 15.294 4.859 424 2HH2 ARG 52 HH12 ARG 52 133.268 16.590 3.946 425 HA PRO 53 HA PRO 53 139.632 9.945 0.686 426 1HB PRO 53 HB2 PRO 53 141.675 8.306 -0.265 427 2HB PRO 53 HB1 PRO 53 140.702 9.405 -1.253 428 1HG PRO 53 HG2 PRO 53 143.491 9.596 -0.614 429 2HG PRO 53 HG1 PRO 53 142.521 10.669 -1.634 430 1HD PRO 53 HD2 PRO 53 143.412 11.055 1.133 431 2HD PRO 53 HD1 PRO 53 142.784 12.244 -0.020 432 H LEU 54 HN LEU 54 139.593 7.648 1.473 433 HA LEU 54 HA LEU 54 140.626 7.474 4.188 434 1HB LEU 54 HB2 LEU 54 139.164 5.451 2.468 435 2HB LEU 54 HB1 LEU 54 139.516 5.241 4.183 436 HG LEU 54 HG LEU 54 137.934 7.564 3.048 437 1HD1 LEU 54 HD12 LEU 54 137.013 5.002 4.389 438 2HD1 LEU 54 HD11 LEU 54 135.975 6.390 4.061 439 3HD1 LEU 54 HD13 LEU 54 136.689 5.488 2.725 440 1HD2 LEU 54 HD21 LEU 54 138.539 6.578 5.851 441 2HD2 LEU 54 HD23 LEU 54 138.967 8.138 5.147 442 3HD2 LEU 54 HD22 LEU 54 137.279 7.760 5.495 443 HA PRO 55 HA PRO 55 144.440 5.482 2.767 444 1HB PRO 55 HB2 PRO 55 145.556 5.389 5.332 445 2HB PRO 55 HB1 PRO 55 145.755 6.699 4.161 446 1HG PRO 55 HG2 PRO 55 144.324 6.735 6.645 447 2HG PRO 55 HG1 PRO 55 144.576 8.059 5.501 448 1HD PRO 55 HD2 PRO 55 142.190 6.443 5.928 449 2HD PRO 55 HD1 PRO 55 142.377 7.936 4.994 450 H GLU 56 HN GLU 56 145.754 3.517 3.677 451 HA GLU 56 HA GLU 56 145.773 1.240 4.226 452 1HB GLU 56 HB2 GLU 56 143.981 2.493 6.232 453 2HB GLU 56 HB1 GLU 56 143.812 0.748 6.044 454 1HG GLU 56 HG2 GLU 56 146.555 1.953 6.272 455 2HG GLU 56 HG1 GLU 56 145.592 1.700 7.728 456 H ARG 57 HN ARG 57 144.015 2.290 2.055 457 HA ARG 57 HA ARG 57 142.723 -0.143 1.328 458 1HB ARG 57 HB2 ARG 57 140.344 0.593 1.502 459 2HB ARG 57 HB1 ARG 57 141.106 0.397 3.080 460 1HG ARG 57 HG2 ARG 57 141.682 2.946 2.809 461 2HG ARG 57 HG1 ARG 57 140.361 2.926 1.642 462 1HD ARG 57 HD2 ARG 57 139.158 3.377 3.563 463 2HD ARG 57 HD1 ARG 57 139.123 1.614 3.605 464 HE ARG 57 HE ARG 57 141.460 2.434 4.972 465 1HH1 ARG 57 HH21 ARG 57 137.989 2.692 5.305 466 2HH1 ARG 57 HH22 ARG 57 138.059 2.777 7.030 467 1HH2 ARG 57 HH11 ARG 57 141.506 2.547 7.206 468 2HH2 ARG 57 HH12 ARG 57 140.028 2.698 8.097 469 H THR 58 HN THR 58 141.643 0.054 -0.764 470 HA THR 58 HA THR 58 142.706 2.321 -2.322 471 HB THR 58 HB THR 58 141.031 0.047 -3.390 472 HG1 THR 58 HG1 THR 58 143.839 0.078 -3.012 473 1HG2 THR 58 HG23 THR 58 143.181 1.849 -4.527 474 2HG2 THR 58 HG22 THR 58 142.518 0.455 -5.382 475 3HG2 THR 58 HG21 THR 58 141.474 1.817 -4.971 476 H ASN 59 HN ASN 59 141.446 3.924 -3.234 477 HA ASN 59 HA ASN 59 138.515 3.820 -2.633 478 1HB ASN 59 HB2 ASN 59 140.472 6.122 -2.628 479 2HB ASN 59 HB1 ASN 59 138.730 6.382 -2.731 480 1HD2 ASN 59 HD22 ASN 59 140.271 4.797 0.743 481 2HD2 ASN 59 HD21 ASN 59 141.121 4.581 -0.710 482 H VAL 60 HN VAL 60 137.098 4.516 -4.280 483 HA VAL 60 HA VAL 60 138.299 5.276 -6.893 484 HB VAL 60 HB VAL 60 136.227 3.083 -6.586 485 1HG1 VAL 60 HG13 VAL 60 137.755 4.220 -8.943 486 2HG1 VAL 60 HG12 VAL 60 136.848 2.709 -9.010 487 3HG1 VAL 60 HG11 VAL 60 136.007 4.227 -8.698 488 1HG2 VAL 60 HG23 VAL 60 139.221 2.994 -7.032 489 2HG2 VAL 60 HG22 VAL 60 138.295 2.195 -5.762 490 3HG2 VAL 60 HG21 VAL 60 138.162 1.642 -7.431 491 H VAL 61 HN VAL 61 137.385 7.303 -6.986 492 HA VAL 61 HA VAL 61 134.570 7.702 -6.211 493 HB VAL 61 HB VAL 61 136.527 9.680 -7.415 494 1HG1 VAL 61 HG12 VAL 61 134.041 10.196 -7.481 495 2HG1 VAL 61 HG11 VAL 61 134.067 10.166 -5.717 496 3HG1 VAL 61 HG13 VAL 61 135.020 11.364 -6.594 497 1HG2 VAL 61 HG23 VAL 61 135.936 8.912 -4.545 498 2HG2 VAL 61 HG22 VAL 61 137.497 8.884 -5.367 499 3HG2 VAL 61 HG21 VAL 61 136.727 10.425 -4.987 500 H LEU 62 HN LEU 62 132.899 7.742 -7.645 501 HA LEU 62 HA LEU 62 133.582 7.669 -10.558 502 1HB LEU 62 HB2 LEU 62 132.492 5.612 -9.599 503 2HB LEU 62 HB1 LEU 62 131.082 6.601 -9.215 504 HG LEU 62 HG LEU 62 131.080 7.278 -11.691 505 1HD1 LEU 62 HD12 LEU 62 133.173 5.131 -11.625 506 2HD1 LEU 62 HD11 LEU 62 132.122 5.250 -13.036 507 3HD1 LEU 62 HD13 LEU 62 133.130 6.620 -12.569 508 1HD2 LEU 62 HD21 LEU 62 130.519 4.445 -10.773 509 2HD2 LEU 62 HD23 LEU 62 129.380 5.788 -10.880 510 3HD2 LEU 62 HD22 LEU 62 130.021 5.057 -12.351 511 H THR 63 HN THR 63 133.340 9.778 -11.217 512 HA THR 63 HA THR 63 130.749 11.118 -10.542 513 HB THR 63 HB THR 63 132.588 12.325 -9.502 514 HG1 THR 63 HG1 THR 63 131.012 13.613 -10.455 515 1HG2 THR 63 HG23 THR 63 133.805 12.306 -12.277 516 2HG2 THR 63 HG22 THR 63 134.435 13.224 -10.910 517 3HG2 THR 63 HG21 THR 63 134.424 11.462 -10.858 518 H HIS 64 HN HIS 64 130.192 12.816 -12.292 519 HA HIS 64 HA HIS 64 130.689 11.578 -14.965 520 1HB HIS 64 HB2 HIS 64 128.591 12.783 -15.639 521 2HB HIS 64 HB1 HIS 64 128.334 11.592 -14.363 522 HD1 HIS 64 HD1 HIS 64 128.726 15.333 -14.852 523 HD2 HIS 64 HD2 HIS 64 127.387 12.654 -11.953 524 HE1 HIS 64 HE1 HIS 64 127.662 16.728 -13.026 525 H GLN 65 HN GLN 65 132.597 13.372 -13.778 526 HA GLN 65 HA GLN 65 132.564 15.494 -15.848 527 1HB GLN 65 HB2 GLN 65 131.576 16.344 -13.618 528 2HB GLN 65 HB1 GLN 65 133.215 16.194 -12.984 529 1HG GLN 65 HG2 GLN 65 134.058 17.850 -14.399 530 2HG GLN 65 HG1 GLN 65 132.750 17.658 -15.567 531 1HE2 GLN 65 HE22 GLN 65 130.452 19.699 -13.690 532 2HE2 GLN 65 HE21 GLN 65 130.519 18.389 -14.768 533 H GLU 66 HN GLU 66 134.637 16.022 -16.551 534 HA GLU 66 HA GLU 66 136.831 14.352 -15.431 535 1HB GLU 66 HB2 GLU 66 136.733 15.953 -18.007 536 2HB GLU 66 HB1 GLU 66 138.001 14.822 -17.530 537 1HG GLU 66 HG2 GLU 66 136.656 12.958 -17.862 538 2HG GLU 66 HG1 GLU 66 135.163 13.860 -17.597 539 H ASP 67 HN ASP 67 135.822 16.879 -14.178 540 HA ASP 67 HA ASP 67 138.290 18.549 -14.433 541 1HB ASP 67 HB2 ASP 67 135.423 19.203 -13.855 542 2HB ASP 67 HB1 ASP 67 136.681 20.229 -13.166 543 H TYR 68 HN TYR 68 136.192 16.802 -12.225 544 HA TYR 68 HA TYR 68 137.221 17.795 -9.756 545 1HB TYR 68 HB2 TYR 68 135.185 16.261 -10.169 546 2HB TYR 68 HB1 TYR 68 136.348 14.936 -10.185 547 HD1 TYR 68 HD2 TYR 68 135.152 17.819 -8.135 548 HD2 TYR 68 HD1 TYR 68 137.190 14.038 -8.167 549 HE1 TYR 68 HE2 TYR 68 135.178 17.812 -5.655 550 HE2 TYR 68 HE1 TYR 68 137.216 14.030 -5.688 551 HH TYR 68 HH TYR 68 136.999 16.384 -3.842 552 H GLN 69 HN GLN 69 139.060 17.293 -8.611 553 HA GLN 69 HA GLN 69 140.842 15.167 -9.730 554 1HB GLN 69 HB2 GLN 69 141.429 18.025 -9.059 555 2HB GLN 69 HB1 GLN 69 142.685 16.823 -8.764 556 1HG GLN 69 HG2 GLN 69 141.257 16.786 -11.398 557 2HG GLN 69 HG1 GLN 69 142.498 18.010 -11.124 558 1HE2 GLN 69 HE22 GLN 69 145.170 15.603 -10.935 559 2HE2 GLN 69 HE21 GLN 69 144.687 17.125 -10.358 560 H ALA 70 HN ALA 70 142.022 13.984 -8.172 561 HA ALA 70 HA ALA 70 141.660 14.687 -5.315 562 1HB ALA 70 HB3 ALA 70 140.862 12.005 -6.490 563 2HB ALA 70 HB2 ALA 70 140.879 12.407 -4.772 564 3HB ALA 70 HB1 ALA 70 139.750 13.219 -5.858 565 H GLN 71 HN GLN 71 143.543 14.328 -4.242 566 HA GLN 71 HA GLN 71 145.640 12.717 -5.615 567 1HB GLN 71 HB2 GLN 71 145.706 14.948 -3.594 568 2HB GLN 71 HB1 GLN 71 147.097 13.879 -3.789 569 1HG GLN 71 HG2 GLN 71 147.381 14.496 -6.071 570 2HG GLN 71 HG1 GLN 71 145.795 15.265 -6.138 571 1HE2 GLN 71 HE22 GLN 71 148.913 17.268 -4.364 572 2HE2 GLN 71 HE21 GLN 71 149.017 15.588 -4.580 573 H GLY 72 HN GLY 72 145.360 10.613 -4.939 574 1HA GLY 72 HA2 GLY 72 146.292 9.285 -2.914 575 2HA GLY 72 HA1 GLY 72 145.031 10.124 -2.011 576 H ALA 73 HN ALA 73 143.079 10.027 -4.175 577 HA ALA 73 HA ALA 73 142.425 7.110 -4.066 578 1HB ALA 73 HB3 ALA 73 140.741 9.588 -3.881 579 2HB ALA 73 HB2 ALA 73 140.028 8.106 -4.516 580 3HB ALA 73 HB1 ALA 73 140.695 8.135 -2.884 581 H VAL 74 HN VAL 74 141.463 6.177 -5.970 582 HA VAL 74 HA VAL 74 142.450 7.381 -8.463 583 HB VAL 74 HB VAL 74 140.855 4.832 -8.069 584 1HG1 VAL 74 HG11 VAL 74 142.449 6.029 -10.332 585 2HG1 VAL 74 HG13 VAL 74 142.195 4.287 -10.224 586 3HG1 VAL 74 HG12 VAL 74 140.812 5.373 -10.365 587 1HG2 VAL 74 HG21 VAL 74 143.781 5.471 -7.804 588 2HG2 VAL 74 HG23 VAL 74 142.777 4.427 -6.800 589 3HG2 VAL 74 HG22 VAL 74 143.288 3.886 -8.398 590 H VAL 75 HN VAL 75 141.214 8.582 -9.824 591 HA VAL 75 HA VAL 75 138.277 8.699 -9.301 592 HB VAL 75 HB VAL 75 140.009 10.654 -10.845 593 1HG1 VAL 75 HG13 VAL 75 137.161 10.735 -9.810 594 2HG1 VAL 75 HG12 VAL 75 138.021 12.150 -10.416 595 3HG1 VAL 75 HG11 VAL 75 137.684 10.795 -11.493 596 1HG2 VAL 75 HG21 VAL 75 139.019 10.714 -7.976 597 2HG2 VAL 75 HG23 VAL 75 140.699 10.597 -8.497 598 3HG2 VAL 75 HG22 VAL 75 139.783 12.072 -8.801 599 H VAL 76 HN VAL 76 137.089 7.517 -10.707 600 HA VAL 76 HA VAL 76 138.149 7.107 -13.472 601 HB VAL 76 HB VAL 76 136.554 5.172 -13.532 602 1HG1 VAL 76 HG12 VAL 76 138.668 5.326 -11.376 603 2HG1 VAL 76 HG11 VAL 76 137.838 3.821 -11.771 604 3HG1 VAL 76 HG13 VAL 76 138.811 4.636 -12.994 605 1HG2 VAL 76 HG22 VAL 76 135.069 6.213 -11.722 606 2HG2 VAL 76 HG21 VAL 76 135.393 4.487 -11.556 607 3HG2 VAL 76 HG23 VAL 76 136.267 5.649 -10.556 608 H HIS 77 HN HIS 77 136.587 7.234 -15.237 609 HA HIS 77 HA HIS 77 134.092 8.733 -14.593 610 1HB HIS 77 HB2 HIS 77 136.119 9.475 -16.726 611 2HB HIS 77 HB1 HIS 77 134.535 10.229 -16.534 612 HD1 HIS 77 HD1 HIS 77 137.666 11.320 -15.966 613 HD2 HIS 77 HD2 HIS 77 134.563 10.659 -13.263 614 HE1 HIS 77 HE1 HIS 77 138.179 12.734 -13.928 615 H ASP 78 HN ASP 78 134.547 5.931 -15.307 616 HA ASP 78 HA ASP 78 132.708 5.805 -17.605 617 1HB ASP 78 HB2 ASP 78 135.319 5.710 -18.256 618 2HB ASP 78 HB1 ASP 78 135.073 4.012 -17.849 619 H VAL 79 HN VAL 79 131.254 4.202 -17.216 620 HA VAL 79 HA VAL 79 131.360 2.606 -14.844 621 HB VAL 79 HB VAL 79 129.714 2.087 -17.338 622 1HG1 VAL 79 HG13 VAL 79 129.440 1.304 -14.424 623 2HG1 VAL 79 HG12 VAL 79 128.117 1.176 -15.582 624 3HG1 VAL 79 HG11 VAL 79 129.588 0.230 -15.815 625 1HG2 VAL 79 HG23 VAL 79 129.368 4.004 -15.029 626 2HG2 VAL 79 HG22 VAL 79 129.242 4.335 -16.756 627 3HG2 VAL 79 HG21 VAL 79 127.981 3.410 -15.942 628 H ALA 80 HN ALA 80 132.160 1.899 -18.231 629 HA ALA 80 HA ALA 80 132.642 -0.909 -17.866 630 1HB ALA 80 HB3 ALA 80 133.560 1.113 -19.911 631 2HB ALA 80 HB2 ALA 80 134.102 -0.564 -19.970 632 3HB ALA 80 HB1 ALA 80 132.385 -0.187 -20.109 633 H ALA 81 HN ALA 81 134.619 1.963 -17.387 634 HA ALA 81 HA ALA 81 137.143 0.589 -17.126 635 1HB ALA 81 HB3 ALA 81 136.196 3.271 -16.075 636 2HB ALA 81 HB2 ALA 81 137.864 2.707 -15.979 637 3HB ALA 81 HB1 ALA 81 137.114 2.979 -17.553 638 H VAL 82 HN VAL 82 134.564 1.445 -14.861 639 HA VAL 82 HA VAL 82 135.962 0.812 -12.446 640 HB VAL 82 HB VAL 82 132.993 0.514 -12.985 641 1HG1 VAL 82 HG11 VAL 82 133.871 -0.467 -10.858 642 2HG1 VAL 82 HG13 VAL 82 134.516 1.119 -10.432 643 3HG1 VAL 82 HG12 VAL 82 132.775 0.887 -10.585 644 1HG2 VAL 82 HG23 VAL 82 134.765 2.885 -12.637 645 2HG2 VAL 82 HG22 VAL 82 133.249 2.736 -13.528 646 3HG2 VAL 82 HG21 VAL 82 133.227 2.911 -11.773 647 H PHE 83 HN PHE 83 133.848 -1.172 -14.533 648 HA PHE 83 HA PHE 83 134.152 -3.570 -12.949 649 1HB PHE 83 HB2 PHE 83 133.090 -2.915 -15.674 650 2HB PHE 83 HB1 PHE 83 133.437 -4.601 -15.290 651 HD1 PHE 83 HD1 PHE 83 132.653 -5.213 -12.728 652 HD2 PHE 83 HD2 PHE 83 130.896 -2.251 -15.296 653 HE1 PHE 83 HE1 PHE 83 130.532 -5.361 -11.449 654 HE2 PHE 83 HE2 PHE 83 128.777 -2.399 -14.017 655 HZ PHE 83 HZ PHE 83 128.594 -3.955 -12.094 656 H ALA 84 HN ALA 84 135.865 -2.209 -15.729 657 HA ALA 84 HA ALA 84 137.486 -4.533 -16.262 658 1HB ALA 84 HB1 ALA 84 137.117 -2.607 -17.851 659 2HB ALA 84 HB3 ALA 84 138.181 -1.639 -16.830 660 3HB ALA 84 HB2 ALA 84 138.809 -3.066 -17.654 661 H TYR 85 HN TYR 85 137.818 -1.754 -14.113 662 HA TYR 85 HA TYR 85 140.569 -2.108 -13.419 663 1HB TYR 85 HB2 TYR 85 139.103 -0.112 -12.856 664 2HB TYR 85 HB1 TYR 85 138.391 -1.093 -11.575 665 HD1 TYR 85 HD2 TYR 85 141.464 0.574 -12.759 666 HD2 TYR 85 HD1 TYR 85 139.661 -1.704 -9.594 667 HE1 TYR 85 HE2 TYR 85 143.376 1.118 -11.277 668 HE2 TYR 85 HE1 TYR 85 141.574 -1.160 -8.112 669 HH TYR 85 HH TYR 85 143.312 0.653 -7.947 670 H ALA 86 HN ALA 86 137.610 -3.633 -12.249 671 HA ALA 86 HA ALA 86 138.845 -4.963 -9.993 672 1HB ALA 86 HB2 ALA 86 136.327 -4.524 -10.434 673 2HB ALA 86 HB1 ALA 86 136.398 -5.967 -11.444 674 3HB ALA 86 HB3 ALA 86 136.778 -6.075 -9.725 675 H LYS 87 HN LYS 87 138.449 -5.708 -13.403 676 HA LYS 87 HA LYS 87 139.075 -8.511 -13.245 677 1HB LYS 87 HB2 LYS 87 139.215 -6.455 -15.451 678 2HB LYS 87 HB1 LYS 87 139.773 -8.109 -15.706 679 1HG LYS 87 HG2 LYS 87 137.435 -8.729 -14.638 680 2HG LYS 87 HG1 LYS 87 136.997 -7.108 -15.178 681 1HD LYS 87 HD2 LYS 87 138.442 -8.844 -17.125 682 2HD LYS 87 HD1 LYS 87 136.759 -9.247 -16.780 683 1HE LYS 87 HE2 LYS 87 136.287 -6.731 -17.162 684 2HE LYS 87 HE1 LYS 87 137.879 -6.688 -17.920 685 1HZ LYS 87 HZ1 LYS 87 135.645 -8.488 -18.690 686 2HZ LYS 87 HZ3 LYS 87 136.135 -7.105 -19.540 687 3HZ LYS 87 HZ2 LYS 87 137.178 -8.440 -19.422 688 H GLN 88 HN GLN 88 141.075 -5.608 -13.740 689 HA GLN 88 HA GLN 88 143.553 -6.971 -14.162 690 1HB GLN 88 HB2 GLN 88 142.690 -4.219 -13.498 691 2HB GLN 88 HB1 GLN 88 144.316 -4.635 -12.956 692 1HG GLN 88 HG2 GLN 88 144.598 -3.788 -15.161 693 2HG GLN 88 HG1 GLN 88 144.703 -5.542 -15.326 694 1HE2 GLN 88 HE22 GLN 88 142.206 -5.363 -17.807 695 2HE2 GLN 88 HE21 GLN 88 143.768 -5.877 -17.382 696 H HIS 89 HN HIS 89 141.766 -6.150 -11.253 697 HA HIS 89 HA HIS 89 143.953 -7.385 -9.625 698 1HB HIS 89 HB2 HIS 89 141.851 -5.350 -8.822 699 2HB HIS 89 HB1 HIS 89 143.001 -6.096 -7.712 700 HD1 HIS 89 HD1 HIS 89 142.856 -2.979 -8.582 701 HD2 HIS 89 HD2 HIS 89 145.606 -5.816 -9.910 702 HE1 HIS 89 HE1 HIS 89 144.889 -1.691 -9.371 703 HA PRO 90 HA PRO 90 140.460 -10.370 -9.320 704 1HB PRO 90 HB2 PRO 90 142.237 -12.544 -9.139 705 2HB PRO 90 HB1 PRO 90 141.378 -12.009 -10.589 706 1HG PRO 90 HG2 PRO 90 144.181 -11.881 -10.055 707 2HG PRO 90 HG1 PRO 90 143.316 -11.346 -11.503 708 1HD PRO 90 HD2 PRO 90 144.408 -9.745 -9.319 709 2HD PRO 90 HD1 PRO 90 143.823 -9.222 -10.907 710 H ASP 91 HN ASP 91 143.418 -10.018 -7.447 711 HA ASP 91 HA ASP 91 142.615 -11.659 -5.216 712 1HB ASP 91 HB2 ASP 91 144.393 -10.380 -3.983 713 2HB ASP 91 HB1 ASP 91 144.958 -11.076 -5.503 714 H GLN 92 HN GLN 92 142.030 -8.318 -6.132 715 HA GLN 92 HA GLN 92 140.738 -7.755 -3.520 716 1HB GLN 92 HB2 GLN 92 141.573 -6.089 -5.881 717 2HB GLN 92 HB1 GLN 92 140.370 -5.466 -4.751 718 1HG GLN 92 HG2 GLN 92 141.876 -5.506 -2.937 719 2HG GLN 92 HG1 GLN 92 142.975 -6.614 -3.759 720 1HE2 GLN 92 HE22 GLN 92 144.916 -3.860 -4.779 721 2HE2 GLN 92 HE21 GLN 92 144.868 -5.398 -4.061 722 H GLU 93 HN GLU 93 138.520 -6.829 -3.544 723 HA GLU 93 HA GLU 93 136.888 -7.897 -5.815 724 1HB GLU 93 HB2 GLU 93 136.219 -7.833 -2.857 725 2HB GLU 93 HB1 GLU 93 135.089 -8.300 -4.127 726 1HG GLU 93 HG2 GLU 93 137.768 -9.651 -3.920 727 2HG GLU 93 HG1 GLU 93 136.429 -10.173 -2.898 728 H LEU 94 HN LEU 94 135.018 -6.640 -6.371 729 HA LEU 94 HA LEU 94 135.351 -3.767 -5.844 730 1HB LEU 94 HB2 LEU 94 134.724 -4.819 -8.103 731 2HB LEU 94 HB1 LEU 94 133.118 -5.063 -7.416 732 HG LEU 94 HG LEU 94 133.276 -2.534 -6.780 733 1HD1 LEU 94 HD12 LEU 94 135.496 -2.911 -8.780 734 2HD1 LEU 94 HD11 LEU 94 134.618 -1.383 -8.702 735 3HD1 LEU 94 HD13 LEU 94 135.498 -1.968 -7.290 736 1HD2 LEU 94 HD21 LEU 94 132.954 -3.485 -9.646 737 2HD2 LEU 94 HD23 LEU 94 131.688 -3.425 -8.418 738 3HD2 LEU 94 HD22 LEU 94 132.390 -1.929 -9.034 739 H VAL 95 HN VAL 95 134.194 -2.638 -4.354 740 HA VAL 95 HA VAL 95 131.793 -3.964 -3.154 741 HB VAL 95 HB VAL 95 133.728 -2.092 -1.757 742 1HG1 VAL 95 HG12 VAL 95 131.266 -2.286 -1.014 743 2HG1 VAL 95 HG11 VAL 95 131.673 -3.931 -0.527 744 3HG1 VAL 95 HG13 VAL 95 132.500 -2.562 0.216 745 1HG2 VAL 95 HG21 VAL 95 133.492 -5.114 -1.758 746 2HG2 VAL 95 HG23 VAL 95 134.901 -4.150 -2.200 747 3HG2 VAL 95 HG22 VAL 95 134.370 -4.215 -0.519 748 H ILE 96 HN ILE 96 129.943 -2.756 -3.188 749 HA ILE 96 HA ILE 96 130.168 0.060 -4.157 750 HB ILE 96 HB ILE 96 127.706 -1.706 -4.119 751 1HG1 ILE 96 HG12 ILE 96 129.444 -2.722 -5.546 752 2HG1 ILE 96 HG11 ILE 96 128.139 -2.066 -6.531 753 1HG2 ILE 96 HG23 ILE 96 127.521 0.848 -4.243 754 2HG2 ILE 96 HG22 ILE 96 128.279 0.720 -5.828 755 3HG2 ILE 96 HG21 ILE 96 126.727 -0.060 -5.528 756 1HD1 ILE 96 HD11 ILE 96 130.743 -0.623 -5.945 757 2HD1 ILE 96 HD13 ILE 96 130.398 -1.503 -7.435 758 3HD1 ILE 96 HD12 ILE 96 129.460 -0.068 -7.019 759 H ALA 97 HN ALA 97 130.002 1.536 -2.552 760 HA ALA 97 HA ALA 97 128.388 0.851 -0.137 761 1HB ALA 97 HB2 ALA 97 130.714 2.692 -0.635 762 2HB ALA 97 HB1 ALA 97 129.641 2.982 0.733 763 3HB ALA 97 HB3 ALA 97 130.522 1.460 0.611 764 H GLY 98 HN GLY 98 128.680 3.119 -2.798 765 1HA GLY 98 HA2 GLY 98 126.077 3.972 -2.947 766 2HA GLY 98 HA1 GLY 98 126.744 5.011 -1.686 767 H GLY 99 HN GLY 99 127.399 7.037 -4.640 768 1HA GLY 99 HA2 GLY 99 125.758 6.668 -2.250 769 2HA GLY 99 HA1 GLY 99 125.562 7.938 -3.460 770 H ALA 100 HN ALA 100 123.236 7.482 -3.352 771 HA ALA 100 HA ALA 100 122.117 4.928 -4.024 772 1HB ALA 100 HB1 ALA 100 120.990 7.079 -3.026 773 2HB ALA 100 HB3 ALA 100 120.748 7.514 -4.718 774 3HB ALA 100 HB2 ALA 100 120.050 6.024 -4.083 775 H GLN 101 HN GLN 101 123.099 7.716 -5.983 776 HA GLN 101 HA GLN 101 122.030 6.788 -8.474 777 1HB GLN 101 HB2 GLN 101 124.311 8.649 -7.781 778 2HB GLN 101 HB1 GLN 101 123.859 8.299 -9.449 779 1HG GLN 101 HG2 GLN 101 121.546 9.057 -8.964 780 2HG GLN 101 HG1 GLN 101 122.038 9.457 -7.318 781 1HE2 GLN 101 HE22 GLN 101 123.662 12.468 -8.247 782 2HE2 GLN 101 HE21 GLN 101 123.357 11.360 -6.998 783 H ILE 102 HN ILE 102 125.043 6.122 -6.762 784 HA ILE 102 HA ILE 102 126.325 4.750 -8.970 785 HB ILE 102 HB ILE 102 126.844 4.421 -6.002 786 1HG1 ILE 102 HG12 ILE 102 126.927 6.804 -6.654 787 2HG1 ILE 102 HG11 ILE 102 128.540 6.195 -6.290 788 1HG2 ILE 102 HG21 ILE 102 128.335 3.726 -8.520 789 2HG2 ILE 102 HG23 ILE 102 129.220 4.049 -7.029 790 3HG2 ILE 102 HG22 ILE 102 128.047 2.734 -7.090 791 1HD1 ILE 102 HD13 ILE 102 128.951 5.864 -8.714 792 2HD1 ILE 102 HD12 ILE 102 127.348 6.513 -9.064 793 3HD1 ILE 102 HD11 ILE 102 128.580 7.548 -8.344 794 H PHE 103 HN PHE 103 124.278 3.754 -6.259 795 HA PHE 103 HA PHE 103 124.583 0.929 -6.570 796 1HB PHE 103 HB2 PHE 103 122.411 2.674 -5.418 797 2HB PHE 103 HB1 PHE 103 122.207 0.926 -5.514 798 HD1 PHE 103 HD2 PHE 103 124.809 -0.180 -4.923 799 HD2 PHE 103 HD1 PHE 103 122.892 3.265 -3.212 800 HE1 PHE 103 HE2 PHE 103 126.159 -0.452 -2.861 801 HE2 PHE 103 HE1 PHE 103 124.243 2.990 -1.151 802 HZ PHE 103 HZ PHE 103 125.875 1.131 -0.975 803 H THR 104 HN THR 104 122.313 3.243 -8.035 804 HA THR 104 HA THR 104 120.716 1.335 -9.438 805 HB THR 104 HB THR 104 121.355 4.101 -10.473 806 HG1 THR 104 HG1 THR 104 120.137 4.941 -8.933 807 1HG2 THR 104 HG21 THR 104 118.872 2.362 -10.503 808 2HG2 THR 104 HG23 THR 104 118.979 3.990 -11.174 809 3HG2 THR 104 HG22 THR 104 119.932 2.682 -11.876 810 H ALA 105 HN ALA 105 123.846 2.763 -10.139 811 HA ALA 105 HA ALA 105 123.950 1.974 -12.919 812 1HB ALA 105 HB1 ALA 105 126.139 2.621 -10.923 813 2HB ALA 105 HB3 ALA 105 126.419 2.351 -12.644 814 3HB ALA 105 HB2 ALA 105 125.435 3.716 -12.114 815 H PHE 106 HN PHE 106 125.050 0.483 -9.883 816 HA PHE 106 HA PHE 106 125.759 -1.978 -11.420 817 1HB PHE 106 HB2 PHE 106 126.466 -1.259 -8.560 818 2HB PHE 106 HB1 PHE 106 127.086 -2.627 -9.484 819 HD1 PHE 106 HD2 PHE 106 128.149 -1.960 -11.844 820 HD2 PHE 106 HD1 PHE 106 127.758 0.679 -8.477 821 HE1 PHE 106 HE2 PHE 106 129.955 -0.527 -12.758 822 HE2 PHE 106 HE1 PHE 106 129.563 2.112 -9.391 823 HZ PHE 106 HZ PHE 106 130.663 1.509 -11.531 824 H LYS 107 HN LYS 107 123.007 -1.275 -10.851 825 HA LYS 107 HA LYS 107 122.129 -2.865 -8.559 826 1HB LYS 107 HB2 LYS 107 120.911 -0.835 -9.512 827 2HB LYS 107 HB1 LYS 107 120.419 -1.872 -10.851 828 1HG LYS 107 HG2 LYS 107 119.588 -3.499 -9.011 829 2HG LYS 107 HG1 LYS 107 119.703 -2.109 -7.932 830 1HD LYS 107 HD2 LYS 107 118.240 -0.820 -9.479 831 2HD LYS 107 HD1 LYS 107 118.073 -2.259 -10.484 832 1HE LYS 107 HE2 LYS 107 117.448 -2.431 -7.553 833 2HE LYS 107 HE1 LYS 107 116.257 -1.738 -8.653 834 1HZ LYS 107 HZ1 LYS 107 117.547 -4.365 -9.116 835 2HZ LYS 107 HZ3 LYS 107 116.083 -4.193 -8.279 836 3HZ LYS 107 HZ2 LYS 107 116.190 -3.718 -9.907 837 H ASP 108 HN ASP 108 122.479 -3.328 -12.034 838 HA ASP 108 HA ASP 108 121.340 -6.073 -11.772 839 1HB ASP 108 HB2 ASP 108 121.752 -4.200 -14.093 840 2HB ASP 108 HB1 ASP 108 121.591 -5.935 -14.373 841 H ASP 109 HN ASP 109 123.949 -5.459 -10.711 842 HA ASP 109 HA ASP 109 125.504 -7.479 -12.164 843 1HB ASP 109 HB2 ASP 109 126.237 -4.563 -12.150 844 2HB ASP 109 HB1 ASP 109 127.514 -5.780 -12.139 845 H VAL 110 HN VAL 110 124.722 -8.126 -9.827 846 HA VAL 110 HA VAL 110 127.079 -7.906 -8.088 847 HB VAL 110 HB VAL 110 125.760 -5.921 -7.438 848 1HG1 VAL 110 HG13 VAL 110 123.550 -6.915 -8.164 849 2HG1 VAL 110 HG12 VAL 110 123.564 -7.864 -6.678 850 3HG1 VAL 110 HG11 VAL 110 123.511 -6.103 -6.599 851 1HG2 VAL 110 HG21 VAL 110 125.813 -8.231 -5.481 852 2HG2 VAL 110 HG23 VAL 110 126.984 -6.922 -5.641 853 3HG2 VAL 110 HG22 VAL 110 125.372 -6.593 -5.004 854 H ASP 111 HN ASP 111 127.177 -9.632 -6.585 855 HA ASP 111 HA ASP 111 125.038 -11.702 -6.919 856 1HB ASP 111 HB2 ASP 111 128.036 -11.937 -6.664 857 2HB ASP 111 HB1 ASP 111 126.980 -13.292 -6.263 858 H THR 112 HN THR 112 127.611 -10.671 -4.648 859 HA THR 112 HA THR 112 126.063 -11.776 -2.388 860 HB THR 112 HB THR 112 128.641 -10.219 -2.180 861 HG1 THR 112 HG1 THR 112 128.975 -11.817 -3.722 862 1HG2 THR 112 HG23 THR 112 127.386 -10.836 -0.118 863 2HG2 THR 112 HG22 THR 112 127.501 -12.532 -0.589 864 3HG2 THR 112 HG21 THR 112 128.964 -11.622 -0.211 865 H LEU 113 HN LEU 113 124.876 -10.527 -0.994 866 HA LEU 113 HA LEU 113 125.028 -7.558 -1.351 867 1HB LEU 113 HB2 LEU 113 122.592 -9.234 -0.669 868 2HB LEU 113 HB1 LEU 113 122.622 -7.479 -0.844 869 HG LEU 113 HG LEU 113 123.576 -9.256 -3.081 870 1HD1 LEU 113 HD11 LEU 113 121.167 -9.783 -2.217 871 2HD1 LEU 113 HD13 LEU 113 120.752 -8.224 -2.930 872 3HD1 LEU 113 HD12 LEU 113 121.408 -9.510 -3.942 873 1HD2 LEU 113 HD23 LEU 113 122.649 -6.413 -2.727 874 2HD2 LEU 113 HD22 LEU 113 124.111 -7.012 -3.513 875 3HD2 LEU 113 HD21 LEU 113 122.548 -7.181 -4.311 876 H LEU 114 HN LEU 114 126.159 -6.890 0.432 877 HA LEU 114 HA LEU 114 125.607 -8.154 3.062 878 1HB LEU 114 HB2 LEU 114 127.726 -6.230 2.076 879 2HB LEU 114 HB1 LEU 114 127.518 -6.605 3.787 880 HG LEU 114 HG LEU 114 127.706 -8.877 1.846 881 1HD1 LEU 114 HD11 LEU 114 130.049 -7.242 2.866 882 2HD1 LEU 114 HD13 LEU 114 130.192 -8.828 2.107 883 3HD1 LEU 114 HD12 LEU 114 129.576 -7.459 1.180 884 1HD2 LEU 114 HD21 LEU 114 127.278 -8.930 4.430 885 2HD2 LEU 114 HD23 LEU 114 128.433 -10.067 3.736 886 3HD2 LEU 114 HD22 LEU 114 129.009 -8.612 4.548 887 H VAL 115 HN VAL 115 124.179 -7.206 4.432 888 HA VAL 115 HA VAL 115 123.848 -4.253 4.344 889 HB VAL 115 HB VAL 115 122.085 -5.198 2.895 890 1HG1 VAL 115 HG13 VAL 115 121.281 -6.729 5.387 891 2HG1 VAL 115 HG12 VAL 115 120.350 -6.661 3.890 892 3HG1 VAL 115 HG11 VAL 115 121.937 -7.429 3.908 893 1HG2 VAL 115 HG21 VAL 115 121.681 -3.212 4.450 894 2HG2 VAL 115 HG23 VAL 115 120.235 -4.055 3.893 895 3HG2 VAL 115 HG22 VAL 115 120.849 -4.340 5.522 896 H THR 116 HN THR 116 123.249 -3.358 6.348 897 HA THR 116 HA THR 116 123.327 -5.269 8.646 898 HB THR 116 HB THR 116 123.880 -2.298 8.769 899 HG1 THR 116 HG1 THR 116 126.077 -2.911 8.628 900 1HG2 THR 116 HG21 THR 116 124.411 -4.679 10.550 901 2HG2 THR 116 HG23 THR 116 125.247 -3.141 10.765 902 3HG2 THR 116 HG22 THR 116 123.493 -3.221 10.928 903 H ARG 117 HN ARG 117 121.214 -5.674 9.177 904 HA ARG 117 HA ARG 117 119.158 -3.597 8.942 905 1HB ARG 117 HB2 ARG 117 119.152 -6.460 9.915 906 2HB ARG 117 HB1 ARG 117 117.728 -5.426 10.039 907 1HG ARG 117 HG2 ARG 117 117.673 -5.098 7.644 908 2HG ARG 117 HG1 ARG 117 119.219 -5.928 7.449 909 1HD ARG 117 HD2 ARG 117 118.009 -7.931 8.611 910 2HD ARG 117 HD1 ARG 117 116.531 -7.088 8.146 911 HE ARG 117 HE ARG 117 118.338 -8.490 6.347 912 1HH1 ARG 117 HH11 ARG 117 116.025 -5.880 6.618 913 2HH1 ARG 117 HH12 ARG 117 115.637 -5.915 4.933 914 1HH2 ARG 117 HH21 ARG 117 117.806 -8.499 4.174 915 2HH2 ARG 117 HH22 ARG 117 116.634 -7.381 3.563 916 H LEU 118 HN LEU 118 118.707 -2.159 10.523 917 HA LEU 118 HA LEU 118 119.899 -2.542 13.204 918 1HB LEU 118 HB2 LEU 118 118.836 -0.251 11.631 919 2HB LEU 118 HB1 LEU 118 118.631 -0.160 13.381 920 HG LEU 118 HG LEU 118 121.157 -0.891 13.431 921 1HD1 LEU 118 HD13 LEU 118 121.217 -1.279 10.954 922 2HD1 LEU 118 HD12 LEU 118 120.964 0.449 10.717 923 3HD1 LEU 118 HD11 LEU 118 122.432 -0.127 11.507 924 1HD2 LEU 118 HD22 LEU 118 120.118 1.858 12.694 925 2HD2 LEU 118 HD21 LEU 118 120.468 1.237 14.307 926 3HD2 LEU 118 HD23 LEU 118 121.788 1.567 13.183 927 H ALA 119 HN ALA 119 118.189 -1.380 14.920 928 HA ALA 119 HA ALA 119 115.658 -2.956 14.648 929 1HB ALA 119 HB3 ALA 119 117.267 -2.348 17.147 930 2HB ALA 119 HB2 ALA 119 115.696 -3.149 17.134 931 3HB ALA 119 HB1 ALA 119 117.089 -3.925 16.378 932 H GLY 120 HN GLY 120 117.143 -0.073 16.138 933 1HA GLY 120 HA2 GLY 120 114.663 1.137 16.937 934 2HA GLY 120 HA1 GLY 120 116.196 1.989 16.741 935 H SER 121 HN SER 121 113.459 2.791 15.886 936 HA SER 121 HA SER 121 113.535 2.644 12.946 937 1HB SER 121 HB2 SER 121 111.683 4.436 14.488 938 2HB SER 121 HB1 SER 121 111.389 3.564 12.986 939 HG SER 121 HG SER 121 110.567 2.779 15.220 940 H PHE 122 HN PHE 122 113.893 4.451 11.585 941 HA PHE 122 HA PHE 122 114.734 7.001 12.838 942 1HB PHE 122 HB2 PHE 122 116.512 5.457 10.924 943 2HB PHE 122 HB1 PHE 122 116.861 7.038 11.623 944 HD1 PHE 122 HD1 PHE 122 117.099 7.249 14.139 945 HD2 PHE 122 HD2 PHE 122 116.955 3.456 12.129 946 HE1 PHE 122 HE1 PHE 122 118.075 6.153 16.139 947 HE2 PHE 122 HE2 PHE 122 117.931 2.359 14.129 948 HZ PHE 122 HZ PHE 122 118.490 3.708 16.133 949 H GLU 123 HN GLU 123 114.472 8.773 11.438 950 HA GLU 123 HA GLU 123 113.237 8.130 8.787 951 1HB GLU 123 HB2 GLU 123 112.017 10.307 9.057 952 2HB GLU 123 HB1 GLU 123 111.586 9.111 10.280 953 1HG GLU 123 HG2 GLU 123 112.909 10.177 11.943 954 2HG GLU 123 HG1 GLU 123 113.757 11.159 10.748 955 H GLY 124 HN GLY 124 113.709 9.656 7.058 956 1HA GLY 124 HA2 GLY 124 115.504 11.855 7.290 957 2HA GLY 124 HA1 GLY 124 116.443 10.419 6.876 958 H ASP 125 HN ASP 125 116.850 11.698 4.846 959 HA ASP 125 HA ASP 125 114.556 11.517 2.936 960 1HB ASP 125 HB2 ASP 125 117.071 13.211 2.872 961 2HB ASP 125 HB1 ASP 125 115.905 13.124 1.551 962 H THR 126 HN THR 126 117.892 10.580 3.533 963 HA THR 126 HA THR 126 118.337 9.431 0.904 964 HB THR 126 HB THR 126 119.801 8.565 3.390 965 HG1 THR 126 HG1 THR 126 120.927 10.435 3.372 966 1HG2 THR 126 HG22 THR 126 120.224 7.648 1.030 967 2HG2 THR 126 HG21 THR 126 120.864 9.247 0.647 968 3HG2 THR 126 HG23 THR 126 121.626 8.268 1.901 969 H LYS 127 HN LYS 127 117.585 7.504 0.180 970 HA LYS 127 HA LYS 127 116.944 5.371 2.155 971 1HB LYS 127 HB2 LYS 127 115.091 6.390 -0.020 972 2HB LYS 127 HB1 LYS 127 114.829 4.898 0.884 973 1HG LYS 127 HG2 LYS 127 115.126 6.462 2.983 974 2HG LYS 127 HG1 LYS 127 114.697 7.738 1.843 975 1HD LYS 127 HD2 LYS 127 112.667 6.391 1.209 976 2HD LYS 127 HD1 LYS 127 113.064 5.278 2.520 977 1HE LYS 127 HE2 LYS 127 111.524 6.780 3.501 978 2HE LYS 127 HE1 LYS 127 113.097 7.379 4.030 979 1HZ LYS 127 HZ3 LYS 127 113.061 8.954 2.185 980 2HZ LYS 127 HZ2 LYS 127 111.525 8.395 1.723 981 3HZ LYS 127 HZ1 LYS 127 111.732 9.180 3.215 982 H MET 128 HN MET 128 117.024 3.235 1.234 983 HA MET 128 HA MET 128 118.872 3.025 -1.032 984 1HB MET 128 HB2 MET 128 118.861 1.557 1.090 985 2HB MET 128 HB1 MET 128 117.491 0.723 0.354 986 1HG MET 128 HG2 MET 128 119.434 -0.506 -0.302 987 2HG MET 128 HG1 MET 128 118.952 0.429 -1.717 988 1HE MET 128 HE3 MET 128 121.351 -1.023 -1.223 989 2HE MET 128 HE2 MET 128 122.024 0.025 -2.469 990 3HE MET 128 HE1 MET 128 122.863 -0.153 -0.931 991 H ILE 129 HN ILE 129 118.387 2.017 -3.033 992 HA ILE 129 HA ILE 129 115.674 2.400 -3.984 993 HB ILE 129 HB ILE 129 116.570 1.407 -6.104 994 1HG1 ILE 129 HG12 ILE 129 119.278 1.363 -4.801 995 2HG1 ILE 129 HG11 ILE 129 118.227 -0.046 -4.654 996 1HG2 ILE 129 HG23 ILE 129 118.217 3.552 -4.735 997 2HG2 ILE 129 HG22 ILE 129 118.309 3.192 -6.458 998 3HG2 ILE 129 HG21 ILE 129 116.805 3.794 -5.762 999 1HD1 ILE 129 HD13 ILE 129 118.750 1.229 -7.336 1000 2HD1 ILE 129 HD12 ILE 129 119.856 0.031 -6.666 1001 3HD1 ILE 129 HD11 ILE 129 118.178 -0.401 -6.988 1002 HA PRO 130 HA PRO 130 113.542 -1.383 -3.210 1003 1HB PRO 130 HB2 PRO 130 113.056 -1.901 -6.041 1004 2HB PRO 130 HB1 PRO 130 111.905 -1.460 -4.772 1005 1HG PRO 130 HG2 PRO 130 112.987 0.201 -6.835 1006 2HG PRO 130 HG1 PRO 130 111.818 0.632 -5.579 1007 1HD PRO 130 HD2 PRO 130 114.460 1.557 -5.766 1008 2HD PRO 130 HD1 PRO 130 113.392 1.711 -4.362 1009 H LEU 131 HN LEU 131 114.294 -3.438 -2.895 1010 HA LEU 131 HA LEU 131 116.358 -4.475 -4.802 1011 1HB LEU 131 HB2 LEU 131 116.166 -4.801 -1.793 1012 2HB LEU 131 HB1 LEU 131 117.283 -5.712 -2.810 1013 HG LEU 131 HG LEU 131 117.204 -2.706 -2.957 1014 1HD1 LEU 131 HD12 LEU 131 117.496 -3.360 -0.564 1015 2HD1 LEU 131 HD11 LEU 131 118.880 -4.348 -1.032 1016 3HD1 LEU 131 HD13 LEU 131 118.936 -2.597 -1.238 1017 1HD2 LEU 131 HD23 LEU 131 118.437 -4.096 -4.649 1018 2HD2 LEU 131 HD22 LEU 131 119.488 -3.010 -3.740 1019 3HD2 LEU 131 HD21 LEU 131 119.436 -4.727 -3.340 1020 H ASN 132 HN ASN 132 116.112 -6.606 -5.475 1021 HA ASN 132 HA ASN 132 113.504 -7.864 -4.847 1022 1HB ASN 132 HB2 ASN 132 114.678 -7.562 -7.222 1023 2HB ASN 132 HB1 ASN 132 115.456 -9.076 -6.762 1024 1HD2 ASN 132 HD22 ASN 132 111.393 -9.043 -7.389 1025 2HD2 ASN 132 HD21 ASN 132 112.191 -7.585 -7.047 1026 H TRP 133 HN TRP 133 113.554 -9.136 -3.051 1027 HA TRP 133 HA TRP 133 116.024 -10.630 -2.384 1028 1HB TRP 133 HB2 TRP 133 113.417 -10.387 -0.854 1029 2HB TRP 133 HB1 TRP 133 114.914 -11.099 -0.251 1030 HD1 TRP 133 HD1 TRP 133 113.224 -7.788 -0.921 1031 HE1 TRP 133 HE1 TRP 133 114.699 -5.877 -0.016 1032 HE3 TRP 133 HE3 TRP 133 117.463 -10.404 0.202 1033 HZ2 TRP 133 HZ2 TRP 133 117.330 -5.508 1.046 1034 HZ3 TRP 133 HZ3 TRP 133 119.436 -9.250 1.158 1035 HH2 TRP 133 HH2 TRP 133 119.376 -6.807 1.581 1036 H ASP 134 HN ASP 134 113.609 -11.263 -4.467 1037 HA ASP 134 HA ASP 134 112.818 -13.927 -3.557 1038 1HB ASP 134 HB2 ASP 134 112.485 -12.546 -6.239 1039 2HB ASP 134 HB1 ASP 134 111.738 -14.079 -5.789 1040 H ASP 135 HN ASP 135 115.259 -12.532 -5.666 1041 HA ASP 135 HA ASP 135 116.129 -15.252 -6.506 1042 1HB ASP 135 HB2 ASP 135 116.976 -12.494 -7.445 1043 2HB ASP 135 HB1 ASP 135 117.624 -14.010 -8.073 1044 H PHE 136 HN PHE 136 116.509 -14.388 -3.767 1045 HA PHE 136 HA PHE 136 119.431 -14.754 -3.609 1046 1HB PHE 136 HB2 PHE 136 117.995 -12.327 -2.508 1047 2HB PHE 136 HB1 PHE 136 119.577 -12.845 -1.924 1048 HD1 PHE 136 HD2 PHE 136 121.532 -12.897 -3.469 1049 HD2 PHE 136 HD1 PHE 136 117.732 -11.284 -4.660 1050 HE1 PHE 136 HE2 PHE 136 122.614 -11.767 -5.394 1051 HE2 PHE 136 HE1 PHE 136 118.815 -10.155 -6.585 1052 HZ PHE 136 HZ PHE 136 121.256 -10.397 -6.951 1053 H THR 137 HN THR 137 120.095 -15.475 -1.479 1054 HA THR 137 HA THR 137 117.883 -16.129 0.405 1055 HB THR 137 HB THR 137 119.986 -18.141 -0.441 1056 HG1 THR 137 HG1 THR 137 118.522 -17.672 -2.131 1057 1HG2 THR 137 HG22 THR 137 117.426 -18.378 1.165 1058 2HG2 THR 137 HG21 THR 137 118.486 -19.719 0.733 1059 3HG2 THR 137 HG23 THR 137 119.063 -18.453 1.816 1060 H LYS 138 HN LYS 138 118.550 -16.200 2.578 1061 HA LYS 138 HA LYS 138 121.223 -15.026 3.095 1062 1HB LYS 138 HB2 LYS 138 119.062 -14.117 4.123 1063 2HB LYS 138 HB1 LYS 138 119.043 -15.573 5.120 1064 1HG LYS 138 HG2 LYS 138 121.099 -15.006 6.175 1065 2HG LYS 138 HG1 LYS 138 121.464 -13.770 4.970 1066 1HD LYS 138 HD2 LYS 138 120.665 -12.426 6.677 1067 2HD LYS 138 HD1 LYS 138 119.157 -12.755 5.822 1068 1HE LYS 138 HE2 LYS 138 119.976 -14.738 7.884 1069 2HE LYS 138 HE1 LYS 138 119.433 -13.166 8.470 1070 1HZ LYS 138 HZ1 LYS 138 117.877 -14.590 6.418 1071 2HZ LYS 138 HZ3 LYS 138 117.713 -15.023 8.049 1072 3HZ LYS 138 HZ2 LYS 138 117.356 -13.438 7.552 1073 H VAL 139 HN VAL 139 122.840 -16.469 3.426 1074 HA VAL 139 HA VAL 139 122.183 -19.039 4.806 1075 HB VAL 139 HB VAL 139 124.304 -19.876 3.764 1076 1HG1 VAL 139 HG11 VAL 139 122.227 -18.730 1.870 1077 2HG1 VAL 139 HG13 VAL 139 123.385 -19.997 1.458 1078 3HG1 VAL 139 HG12 VAL 139 122.146 -20.296 2.677 1079 1HG2 VAL 139 HG21 VAL 139 125.311 -17.573 3.522 1080 2HG2 VAL 139 HG23 VAL 139 125.401 -18.551 2.057 1081 3HG2 VAL 139 HG22 VAL 139 124.186 -17.282 2.195 1082 H SER 140 HN SER 140 124.262 -16.207 4.807 1083 HA SER 140 HA SER 140 125.430 -17.149 7.397 1084 1HB SER 140 HB2 SER 140 126.650 -15.500 5.177 1085 2HB SER 140 HB1 SER 140 127.334 -15.541 6.799 1086 HG SER 140 HG SER 140 128.325 -17.160 5.698 1087 H SER 141 HN SER 141 125.016 -15.852 9.128 1088 HA SER 141 HA SER 141 124.601 -12.976 8.845 1089 1HB SER 141 HB2 SER 141 122.375 -13.836 8.183 1090 2HB SER 141 HB1 SER 141 122.277 -14.735 9.695 1091 HG SER 141 HG SER 141 121.307 -12.883 10.207 1092 H ARG 142 HN ARG 142 125.027 -11.960 10.788 1093 HA ARG 142 HA ARG 142 125.263 -13.706 13.208 1094 1HB ARG 142 HB2 ARG 142 127.445 -12.850 12.001 1095 2HB ARG 142 HB1 ARG 142 127.052 -11.329 12.804 1096 1HG ARG 142 HG2 ARG 142 126.727 -12.964 14.898 1097 2HG ARG 142 HG1 ARG 142 127.884 -13.937 13.989 1098 1HD ARG 142 HD2 ARG 142 129.409 -11.994 13.859 1099 2HD ARG 142 HD1 ARG 142 128.258 -11.035 14.789 1100 HE ARG 142 HE ARG 142 129.013 -13.490 16.154 1101 1HH1 ARG 142 HH21 ARG 142 129.940 -10.179 15.509 1102 2HH1 ARG 142 HH22 ARG 142 130.888 -10.060 16.950 1103 1HH2 ARG 142 HH11 ARG 142 130.250 -13.289 18.007 1104 2HH2 ARG 142 HH12 ARG 142 131.063 -11.799 18.350 1105 H THR 143 HN THR 143 124.054 -12.977 14.884 1106 HA THR 143 HA THR 143 122.767 -10.330 14.683 1107 HB THR 143 HB THR 143 122.425 -12.179 17.025 1108 HG1 THR 143 HG1 THR 143 120.848 -13.273 15.732 1109 1HG2 THR 143 HG23 THR 143 121.311 -9.868 16.678 1110 2HG2 THR 143 HG22 THR 143 120.333 -10.681 15.456 1111 3HG2 THR 143 HG21 THR 143 120.273 -11.221 17.135 1112 H VAL 144 HN VAL 144 123.392 -8.570 15.860 1113 HA VAL 144 HA VAL 144 125.302 -8.992 18.118 1114 HB VAL 144 HB VAL 144 125.509 -6.787 16.044 1115 1HG1 VAL 144 HG12 VAL 144 127.262 -7.648 18.365 1116 2HG1 VAL 144 HG11 VAL 144 127.753 -6.480 17.137 1117 3HG1 VAL 144 HG13 VAL 144 126.395 -6.120 18.202 1118 1HG2 VAL 144 HG23 VAL 144 127.016 -9.396 16.376 1119 2HG2 VAL 144 HG22 VAL 144 126.105 -8.856 14.965 1120 3HG2 VAL 144 HG21 VAL 144 127.614 -8.055 15.399 1121 H GLU 145 HN GLU 145 124.286 -8.241 19.904 1122 HA GLU 145 HA GLU 145 122.278 -6.072 19.644 1123 1HB GLU 145 HB2 GLU 145 123.015 -7.960 21.894 1124 2HB GLU 145 HB1 GLU 145 121.876 -6.630 22.100 1125 1HG GLU 145 HG2 GLU 145 120.463 -8.417 21.549 1126 2HG GLU 145 HG1 GLU 145 120.708 -7.634 19.987 1127 H ASP 146 HN ASP 146 122.457 -4.125 20.872 1128 HA ASP 146 HA ASP 146 125.243 -3.525 21.786 1129 1HB ASP 146 HB2 ASP 146 123.888 -2.246 19.824 1130 2HB ASP 146 HB1 ASP 146 123.354 -1.301 21.214 1131 H THR 147 HN THR 147 124.864 -1.292 23.275 1132 HA THR 147 HA THR 147 123.873 -2.288 25.764 1133 HB THR 147 HB THR 147 123.941 0.266 26.346 1134 HG1 THR 147 HG1 THR 147 125.023 1.482 24.849 1135 1HG2 THR 147 HG22 THR 147 126.262 -1.472 25.530 1136 2HG2 THR 147 HG21 THR 147 126.522 0.137 26.204 1137 3HG2 THR 147 HG23 THR 147 125.690 -1.094 27.155 1138 H ASN 148 HN ASN 148 122.431 -0.128 23.333 1139 HA ASN 148 HA ASN 148 119.869 -0.201 24.865 1140 1HB ASN 148 HB2 ASN 148 120.622 1.580 22.528 1141 2HB ASN 148 HB1 ASN 148 119.206 1.741 23.566 1142 1HD2 ASN 148 HD21 ASN 148 121.591 3.615 23.131 1143 2HD2 ASN 148 HD22 ASN 148 122.181 3.913 24.694 1144 HA PRO 149 HA PRO 149 117.912 -2.663 21.719 1145 1HB PRO 149 HB2 PRO 149 115.378 -1.451 21.716 1146 2HB PRO 149 HB1 PRO 149 115.918 -2.739 22.802 1147 1HG PRO 149 HG2 PRO 149 115.323 -0.020 23.450 1148 2HG PRO 149 HG1 PRO 149 115.860 -1.312 24.533 1149 1HD PRO 149 HD2 PRO 149 117.396 0.911 23.418 1150 2HD PRO 149 HD1 PRO 149 117.814 -0.186 24.745 1151 H ALA 150 HN ALA 150 117.685 0.831 21.365 1152 HA ALA 150 HA ALA 150 116.763 0.755 18.605 1153 1HB ALA 150 HB1 ALA 150 116.390 2.700 20.140 1154 2HB ALA 150 HB3 ALA 150 118.123 3.020 20.093 1155 3HB ALA 150 HB2 ALA 150 117.160 3.155 18.621 1156 H LEU 151 HN LEU 151 119.866 0.577 20.198 1157 HA LEU 151 HA LEU 151 121.306 1.140 17.668 1158 1HB LEU 151 HB2 LEU 151 122.217 0.672 20.515 1159 2HB LEU 151 HB1 LEU 151 123.342 0.802 19.163 1160 HG LEU 151 HG LEU 151 121.265 2.913 19.786 1161 1HD1 LEU 151 HD13 LEU 151 123.035 2.487 21.615 1162 2HD1 LEU 151 HD12 LEU 151 124.209 3.085 20.442 1163 3HD1 LEU 151 HD11 LEU 151 122.903 4.133 20.994 1164 1HD2 LEU 151 HD21 LEU 151 123.686 2.727 17.980 1165 2HD2 LEU 151 HD23 LEU 151 122.018 3.075 17.526 1166 3HD2 LEU 151 HD22 LEU 151 122.957 4.272 18.416 1167 H THR 152 HN THR 152 119.632 -1.351 18.173 1168 HA THR 152 HA THR 152 121.641 -3.501 18.275 1169 HB THR 152 HB THR 152 118.746 -3.871 17.524 1170 HG1 THR 152 HG1 THR 152 118.155 -3.617 19.570 1171 1HG2 THR 152 HG21 THR 152 120.694 -5.672 17.670 1172 2HG2 THR 152 HG23 THR 152 120.316 -5.600 19.392 1173 3HG2 THR 152 HG22 THR 152 119.065 -6.049 18.231 1174 H HIS 153 HN HIS 153 122.337 -4.684 16.486 1175 HA HIS 153 HA HIS 153 121.133 -4.064 13.840 1176 1HB HIS 153 HB2 HIS 153 123.428 -3.764 12.875 1177 2HB HIS 153 HB1 HIS 153 122.978 -2.489 14.006 1178 HD1 HIS 153 HD1 HIS 153 123.777 -3.126 16.631 1179 HD2 HIS 153 HD2 HIS 153 125.902 -4.818 13.469 1180 HE1 HIS 153 HE1 HIS 153 126.004 -3.868 17.581 1181 H THR 154 HN THR 154 121.906 -5.618 12.157 1182 HA THR 154 HA THR 154 123.100 -8.119 13.202 1183 HB THR 154 HB THR 154 120.448 -8.095 11.730 1184 HG1 THR 154 HG1 THR 154 119.523 -8.128 13.618 1185 1HG2 THR 154 HG23 THR 154 122.341 -10.192 12.694 1186 2HG2 THR 154 HG22 THR 154 120.614 -10.528 12.805 1187 3HG2 THR 154 HG21 THR 154 121.342 -10.164 11.241 1188 H TYR 155 HN TYR 155 124.589 -8.777 11.739 1189 HA TYR 155 HA TYR 155 124.727 -7.532 9.102 1190 1HB TYR 155 HB2 TYR 155 126.382 -9.781 10.288 1191 2HB TYR 155 HB1 TYR 155 126.777 -8.861 8.836 1192 HD1 TYR 155 HD2 TYR 155 126.409 -6.143 9.338 1193 HD2 TYR 155 HD1 TYR 155 127.638 -9.156 12.143 1194 HE1 TYR 155 HE2 TYR 155 127.490 -4.402 10.733 1195 HE2 TYR 155 HE1 TYR 155 128.719 -7.415 13.539 1196 HH TYR 155 HH TYR 155 128.089 -4.243 13.334 1197 H GLU 156 HN GLU 156 123.909 -8.350 7.240 1198 HA GLU 156 HA GLU 156 123.026 -11.212 7.235 1199 1HB GLU 156 HB2 GLU 156 121.709 -8.743 6.091 1200 2HB GLU 156 HB1 GLU 156 121.302 -10.361 5.519 1201 1HG GLU 156 HG2 GLU 156 119.756 -10.220 7.211 1202 2HG GLU 156 HG1 GLU 156 121.120 -10.800 8.167 1203 H VAL 157 HN VAL 157 123.910 -12.428 5.628 1204 HA VAL 157 HA VAL 157 125.320 -10.989 3.415 1205 HB VAL 157 HB VAL 157 125.904 -13.760 4.500 1206 1HG1 VAL 157 HG13 VAL 157 126.524 -13.211 2.101 1207 2HG1 VAL 157 HG12 VAL 157 127.588 -11.958 2.740 1208 3HG1 VAL 157 HG11 VAL 157 127.883 -13.652 3.136 1209 1HG2 VAL 157 HG21 VAL 157 127.051 -11.040 5.134 1210 2HG2 VAL 157 HG23 VAL 157 126.518 -12.294 6.254 1211 3HG2 VAL 157 HG22 VAL 157 128.012 -12.504 5.340 1212 H TRP 158 HN TRP 158 123.343 -10.983 2.143 1213 HA TRP 158 HA TRP 158 122.071 -13.527 1.448 1214 1HB TRP 158 HB2 TRP 158 121.750 -10.705 0.390 1215 2HB TRP 158 HB1 TRP 158 120.812 -12.076 -0.202 1216 HD1 TRP 158 HD1 TRP 158 121.502 -10.157 3.068 1217 HE1 TRP 158 HE1 TRP 158 119.447 -10.413 4.604 1218 HE3 TRP 158 HE3 TRP 158 118.704 -13.386 0.270 1219 HZ2 TRP 158 HZ2 TRP 158 116.948 -11.802 4.642 1220 HZ3 TRP 158 HZ3 TRP 158 116.492 -14.159 1.079 1221 HH2 TRP 158 HH2 TRP 158 115.612 -13.372 3.259 1222 H GLN 159 HN GLN 159 122.914 -14.892 -0.037 1223 HA GLN 159 HA GLN 159 124.761 -13.771 -2.105 1224 1HB GLN 159 HB2 GLN 159 124.579 -16.479 -0.779 1225 2HB GLN 159 HB1 GLN 159 125.464 -16.248 -2.287 1226 1HG GLN 159 HG2 GLN 159 126.831 -14.489 -1.210 1227 2HG GLN 159 HG1 GLN 159 125.961 -14.750 0.303 1228 1HE2 GLN 159 HE22 GLN 159 128.667 -17.574 -0.956 1229 2HE2 GLN 159 HE21 GLN 159 128.042 -16.462 -2.076 1230 H LYS 160 HN LYS 160 124.646 -14.873 -4.254 1231 HA LYS 160 HA LYS 160 121.841 -15.192 -5.070 1232 1HB LYS 160 HB2 LYS 160 123.827 -14.001 -6.346 1233 2HB LYS 160 HB1 LYS 160 124.155 -15.633 -6.928 1234 1HG LYS 160 HG2 LYS 160 122.025 -15.816 -7.955 1235 2HG LYS 160 HG1 LYS 160 121.388 -14.432 -7.066 1236 1HD LYS 160 HD2 LYS 160 122.662 -12.887 -8.341 1237 2HD LYS 160 HD1 LYS 160 123.702 -14.157 -8.988 1238 1HE LYS 160 HE2 LYS 160 122.241 -13.737 -10.775 1239 2HE LYS 160 HE1 LYS 160 121.492 -15.123 -9.984 1240 1HZ LYS 160 HZ3 LYS 160 120.771 -12.293 -9.454 1241 2HZ LYS 160 HZ2 LYS 160 119.913 -13.323 -10.498 1242 3HZ LYS 160 HZ1 LYS 160 119.994 -13.669 -8.837 1243 H LYS 161 HN LYS 161 120.855 -17.133 -5.379 1244 HA LYS 161 HA LYS 161 122.563 -19.577 -5.261 1245 1HB LYS 161 HB2 LYS 161 120.245 -20.681 -4.744 1246 2HB LYS 161 HB1 LYS 161 121.081 -19.802 -3.472 1247 1HG LYS 161 HG2 LYS 161 118.699 -19.193 -3.524 1248 2HG LYS 161 HG1 LYS 161 119.699 -17.805 -3.942 1249 1HD LYS 161 HD2 LYS 161 119.165 -17.972 -6.244 1250 2HD LYS 161 HD1 LYS 161 118.559 -19.619 -6.068 1251 1HE LYS 161 HE2 LYS 161 116.909 -18.355 -4.343 1252 2HE LYS 161 HE1 LYS 161 117.216 -17.036 -5.473 1253 1HZ LYS 161 HZ3 LYS 161 116.351 -19.757 -6.280 1254 2HZ LYS 161 HZ2 LYS 161 115.297 -18.439 -6.082 1255 3HZ LYS 161 HZ1 LYS 161 116.500 -18.396 -7.282 1256 H ALA 162 HN ALA 162 122.080 -18.016 -7.682 1257 HA ALA 162 HA ALA 162 120.171 -19.601 -9.268 1258 1HB ALA 162 HB3 ALA 162 120.499 -17.133 -9.623 1259 2HB ALA 162 HB2 ALA 162 122.130 -17.481 -10.199 1260 3HB ALA 162 HB1 ALA 162 120.732 -18.092 -11.085 1261 1HN2 MTX 170 1HN2 MTX 170 127.134 -1.242 7.714 1262 2HN2 MTX 170 2HN2 MTX 170 127.268 -1.692 6.081 1263 1HN4 MTX 170 1HN4 MTX 170 128.706 1.397 2.803 1264 2HN4 MTX 170 2HN4 MTX 170 129.101 2.987 3.249 1265 H7 MTX 170 H7 MTX 170 128.950 5.413 8.621 1266 1H9 MTX 170 H91 MTX 170 128.863 6.932 5.639 1267 2H9 MTX 170 H92 MTX 170 130.524 6.333 5.520 1268 1HM MTX 170 HM1 MTX 170 129.389 9.161 7.569 1269 2HM MTX 170 HM2 MTX 170 129.060 8.070 8.947 1270 3HM MTX 170 HM3 MTX 170 128.084 7.944 7.454 1271 H12 MTX 170 H13 MTX 170 133.670 8.822 9.654 1272 H13 MTX 170 H12 MTX 170 131.430 9.104 8.592 1273 H15 MTX 170 H16 MTX 170 131.485 4.931 7.407 1274 H16 MTX 170 H15 MTX 170 133.724 4.663 8.471 1275 HN MTX 170 HN MTX 170 135.721 5.275 8.260 1276 HA MTX 170 HA MTX 170 137.683 6.460 10.036 1277 1HB MTX 170 HB1 MTX 170 137.607 3.495 10.401 1278 2HB MTX 170 HB2 MTX 170 136.243 4.344 11.111 1279 1HG MTX 170 HG1 MTX 170 137.663 5.668 12.528 1280 2HG MTX 170 HG2 MTX 170 139.093 5.349 11.549 1281 HN1 MTX 170 H1N MTX 170 127.657 0.912 8.390 No H/Q in entry = 1281 Start of MODEL 11 1 1H THR 1 HT1 THR 1 133.263 -7.586 -5.450 2 2H THR 1 HT3 THR 1 132.867 -9.016 -6.272 3 3H THR 1 HT2 THR 1 133.436 -7.668 -7.137 4 HA THR 1 HA THR 1 131.465 -6.417 -6.597 5 HB THR 1 HB THR 1 130.484 -9.111 -7.506 6 HG1 THR 1 HG1 THR 1 131.773 -9.089 -9.160 7 1HG2 THR 1 HG21 THR 1 129.125 -6.898 -7.395 8 2HG2 THR 1 HG23 THR 1 130.079 -6.424 -8.801 9 3HG2 THR 1 HG22 THR 1 129.048 -7.853 -8.876 10 H ALA 2 HN ALA 2 130.542 -6.001 -4.639 11 HA ALA 2 HA ALA 2 128.693 -7.939 -3.489 12 1HB ALA 2 HB2 ALA 2 131.316 -7.313 -2.138 13 2HB ALA 2 HB1 ALA 2 129.896 -7.772 -1.199 14 3HB ALA 2 HB3 ALA 2 130.560 -8.885 -2.395 15 H PHE 3 HN PHE 3 127.006 -6.684 -2.901 16 HA PHE 3 HA PHE 3 127.274 -3.811 -2.558 17 1HB PHE 3 HB2 PHE 3 125.052 -5.805 -2.486 18 2HB PHE 3 HB1 PHE 3 124.789 -4.270 -1.661 19 HD1 PHE 3 HD1 PHE 3 126.669 -5.118 -4.805 20 HD2 PHE 3 HD2 PHE 3 123.431 -2.938 -3.009 21 HE1 PHE 3 HE1 PHE 3 126.200 -4.021 -6.979 22 HE2 PHE 3 HE2 PHE 3 122.965 -1.841 -5.183 23 HZ PHE 3 HZ PHE 3 124.349 -2.382 -7.168 24 H LEU 4 HN LEU 4 127.056 -2.629 -0.608 25 HA LEU 4 HA LEU 4 126.783 -4.091 1.939 26 1HB LEU 4 HB2 LEU 4 129.215 -4.226 1.375 27 2HB LEU 4 HB1 LEU 4 129.270 -2.463 1.331 28 HG LEU 4 HG LEU 4 128.273 -2.580 3.722 29 1HD1 LEU 4 HD12 LEU 4 129.200 -5.419 3.258 30 2HD1 LEU 4 HD11 LEU 4 129.094 -4.725 4.876 31 3HD1 LEU 4 HD13 LEU 4 127.645 -4.867 3.882 32 1HD2 LEU 4 HD21 LEU 4 130.689 -2.041 2.971 33 2HD2 LEU 4 HD23 LEU 4 130.458 -2.542 4.645 34 3HD2 LEU 4 HD22 LEU 4 131.070 -3.693 3.457 35 H TRP 5 HN TRP 5 125.220 -2.849 2.879 36 HA TRP 5 HA TRP 5 125.765 0.020 3.262 37 1HB TRP 5 HB2 TRP 5 123.657 0.784 2.334 38 2HB TRP 5 HB1 TRP 5 124.509 -0.131 1.096 39 HD1 TRP 5 HD1 TRP 5 121.254 0.121 2.760 40 HE1 TRP 5 HE1 TRP 5 119.774 -1.919 2.223 41 HE3 TRP 5 HE3 TRP 5 124.749 -3.002 0.721 42 HZ2 TRP 5 HZ2 TRP 5 120.033 -4.525 1.085 43 HZ3 TRP 5 HZ3 TRP 5 124.100 -5.257 -0.076 44 HH2 TRP 5 HH2 TRP 5 121.749 -6.020 0.102 45 H ALA 6 HN ALA 6 124.306 0.974 4.896 46 HA ALA 6 HA ALA 6 123.250 -1.122 6.749 47 1HB ALA 6 HB2 ALA 6 124.470 1.599 7.219 48 2HB ALA 6 HB1 ALA 6 123.484 0.815 8.454 49 3HB ALA 6 HB3 ALA 6 124.967 0.045 7.888 50 H GLN 7 HN GLN 7 121.074 -1.135 7.070 51 HA GLN 7 HA GLN 7 119.550 1.383 6.590 52 1HB GLN 7 HB2 GLN 7 117.778 0.009 5.461 53 2HB GLN 7 HB1 GLN 7 119.290 0.084 4.554 54 1HG GLN 7 HG2 GLN 7 119.746 -2.132 4.871 55 2HG GLN 7 HG1 GLN 7 119.086 -2.139 6.506 56 1HE2 GLN 7 HE21 GLN 7 117.025 -3.048 6.756 57 2HE2 GLN 7 HE22 GLN 7 115.969 -3.404 5.476 58 H ASP 8 HN ASP 8 117.182 1.011 7.396 59 HA ASP 8 HA ASP 8 117.263 -0.629 9.897 60 1HB ASP 8 HB2 ASP 8 115.817 1.143 10.921 61 2HB ASP 8 HB1 ASP 8 117.425 1.727 10.492 62 H ARG 9 HN ARG 9 114.693 -0.492 10.709 63 HA ARG 9 HA ARG 9 113.307 -2.259 8.957 64 1HB ARG 9 HB2 ARG 9 111.351 -1.865 10.431 65 2HB ARG 9 HB1 ARG 9 112.820 -2.157 11.361 66 1HG ARG 9 HG2 ARG 9 113.117 0.308 11.604 67 2HG ARG 9 HG1 ARG 9 111.586 0.549 10.762 68 1HD ARG 9 HD2 ARG 9 111.839 -1.133 13.265 69 2HD ARG 9 HD1 ARG 9 111.439 0.583 13.299 70 HE ARG 9 HE ARG 9 109.636 -0.600 11.495 71 1HH1 ARG 9 HH11 ARG 9 110.452 -0.872 14.886 72 2HH1 ARG 9 HH12 ARG 9 108.852 -1.347 15.336 73 1HH2 ARG 9 HH21 ARG 9 107.579 -1.216 12.124 74 2HH2 ARG 9 HH22 ARG 9 107.242 -1.540 13.790 75 H ASP 10 HN ASP 10 113.062 1.257 9.401 76 HA ASP 10 HA ASP 10 110.792 1.664 7.707 77 1HB ASP 10 HB2 ASP 10 113.103 3.571 8.179 78 2HB ASP 10 HB1 ASP 10 111.476 3.998 7.650 79 H GLY 11 HN GLY 11 114.283 1.590 7.029 80 1HA GLY 11 HA2 GLY 11 114.982 0.597 4.857 81 2HA GLY 11 HA1 GLY 11 113.602 1.413 4.121 82 H LEU 12 HN LEU 12 115.633 2.966 6.530 83 HA LEU 12 HA LEU 12 116.398 4.987 4.493 84 1HB LEU 12 HB2 LEU 12 115.367 5.663 6.709 85 2HB LEU 12 HB1 LEU 12 116.842 5.088 7.488 86 HG LEU 12 HG LEU 12 118.028 6.630 5.709 87 1HD1 LEU 12 HD13 LEU 12 115.743 7.087 4.628 88 2HD1 LEU 12 HD12 LEU 12 115.405 8.098 6.033 89 3HD1 LEU 12 HD11 LEU 12 116.750 8.496 4.964 90 1HD2 LEU 12 HD23 LEU 12 117.981 6.890 8.221 91 2HD2 LEU 12 HD22 LEU 12 118.059 8.417 7.343 92 3HD2 LEU 12 HD21 LEU 12 116.530 7.874 8.034 93 H ILE 13 HN ILE 13 118.452 5.052 3.702 94 HA ILE 13 HA ILE 13 120.473 3.254 4.953 95 HB ILE 13 HB ILE 13 121.690 3.553 2.775 96 1HG1 ILE 13 HG12 ILE 13 119.131 4.866 1.829 97 2HG1 ILE 13 HG11 ILE 13 120.542 5.800 2.328 98 1HG2 ILE 13 HG21 ILE 13 119.883 1.761 3.319 99 2HG2 ILE 13 HG23 ILE 13 118.854 2.691 2.230 100 3HG2 ILE 13 HG22 ILE 13 120.356 1.984 1.635 101 1HD1 ILE 13 HD12 ILE 13 120.896 3.582 0.340 102 2HD1 ILE 13 HD11 ILE 13 120.239 5.126 -0.204 103 3HD1 ILE 13 HD13 ILE 13 121.836 5.061 0.542 104 H GLY 14 HN GLY 14 119.826 6.611 4.157 105 1HA GLY 14 HA2 GLY 14 121.938 7.499 5.951 106 2HA GLY 14 HA1 GLY 14 122.317 7.819 4.258 107 H LYS 15 HN LYS 15 122.127 10.049 5.648 108 HA LYS 15 HA LYS 15 119.551 11.220 4.757 109 1HB LYS 15 HB2 LYS 15 119.307 10.602 7.177 110 2HB LYS 15 HB1 LYS 15 120.666 11.667 7.542 111 1HG LYS 15 HG2 LYS 15 119.425 13.570 6.551 112 2HG LYS 15 HG1 LYS 15 118.055 12.502 6.246 113 1HD LYS 15 HD2 LYS 15 117.554 12.275 8.515 114 2HD LYS 15 HD1 LYS 15 119.190 12.698 9.020 115 1HE LYS 15 HE2 LYS 15 117.677 14.557 9.509 116 2HE LYS 15 HE1 LYS 15 118.801 15.027 8.234 117 1HZ LYS 15 HZ3 LYS 15 116.170 13.860 7.582 118 2HZ LYS 15 HZ2 LYS 15 116.326 15.519 7.912 119 3HZ LYS 15 HZ1 LYS 15 117.174 14.825 6.615 120 H ASP 16 HN ASP 16 120.189 12.841 3.433 121 HA ASP 16 HA ASP 16 121.379 14.679 2.596 122 1HB ASP 16 HB2 ASP 16 121.597 14.954 5.568 123 2HB ASP 16 HB1 ASP 16 122.591 16.002 4.555 124 H GLY 17 HN GLY 17 122.727 12.006 2.932 125 1HA GLY 17 HA2 GLY 17 124.886 11.410 2.044 126 2HA GLY 17 HA1 GLY 17 125.493 12.996 2.524 127 H HIS 18 HN HIS 18 124.674 13.063 5.198 128 HA HIS 18 HA HIS 18 126.592 11.147 6.372 129 1HB HIS 18 HB2 HIS 18 126.231 12.497 8.453 130 2HB HIS 18 HB1 HIS 18 126.784 13.463 7.087 131 HD1 HIS 18 HD1 HIS 18 123.583 12.589 8.940 132 HD2 HIS 18 HD2 HIS 18 125.037 15.503 6.338 133 HE1 HIS 18 HE1 HIS 18 121.793 14.374 8.791 134 H LEU 19 HN LEU 19 125.972 9.942 8.356 135 HA LEU 19 HA LEU 19 123.343 8.691 8.007 136 1HB LEU 19 HB2 LEU 19 125.702 8.164 9.820 137 2HB LEU 19 HB1 LEU 19 124.175 7.301 10.010 138 HG LEU 19 HG LEU 19 125.594 7.452 7.348 139 1HD1 LEU 19 HD13 LEU 19 126.019 5.571 9.666 140 2HD1 LEU 19 HD12 LEU 19 126.301 5.043 8.007 141 3HD1 LEU 19 HD11 LEU 19 127.228 6.387 8.675 142 1HD2 LEU 19 HD22 LEU 19 123.548 5.559 8.552 143 2HD2 LEU 19 HD21 LEU 19 123.229 6.787 7.326 144 3HD2 LEU 19 HD23 LEU 19 124.248 5.401 6.941 145 HA PRO 20 HA PRO 20 121.336 11.068 11.210 146 1HB PRO 20 HB2 PRO 20 119.225 9.305 11.652 147 2HB PRO 20 HB1 PRO 20 119.280 10.541 10.389 148 1HG PRO 20 HG2 PRO 20 119.383 7.673 10.109 149 2HG PRO 20 HG1 PRO 20 119.282 8.908 8.847 150 1HD PRO 20 HD2 PRO 20 121.590 7.367 9.688 151 2HD PRO 20 HD1 PRO 20 121.427 8.465 8.310 152 H TRP 21 HN TRP 21 121.734 7.568 11.733 153 HA TRP 21 HA TRP 21 121.683 7.969 14.668 154 1HB TRP 21 HB2 TRP 21 121.864 5.469 14.730 155 2HB TRP 21 HB1 TRP 21 120.462 6.039 13.826 156 HD1 TRP 21 HD1 TRP 21 124.069 4.814 13.199 157 HE1 TRP 21 HE1 TRP 21 124.151 3.698 10.876 158 HE3 TRP 21 HE3 TRP 21 119.300 5.726 11.612 159 HZ2 TRP 21 HZ2 TRP 21 122.423 3.252 8.641 160 HZ3 TRP 21 HZ3 TRP 21 118.546 4.945 9.385 161 HH2 TRP 21 HH2 TRP 21 120.100 3.710 7.898 162 H HIS 22 HN HIS 22 123.462 6.595 15.850 163 HA HIS 22 HA HIS 22 126.092 7.059 14.499 164 1HB HIS 22 HB2 HIS 22 125.429 8.670 16.420 165 2HB HIS 22 HB1 HIS 22 125.692 7.287 17.482 166 HD1 HIS 22 HD1 HIS 22 127.485 9.812 15.428 167 HD2 HIS 22 HD2 HIS 22 128.428 6.326 17.511 168 HE1 HIS 22 HE1 HIS 22 130.010 9.757 15.625 169 H LEU 23 HN LEU 23 126.494 4.919 13.935 170 HA LEU 23 HA LEU 23 126.539 2.943 16.183 171 1HB LEU 23 HB2 LEU 23 124.957 2.685 14.051 172 2HB LEU 23 HB1 LEU 23 126.435 2.034 13.339 173 HG LEU 23 HG LEU 23 126.631 0.505 15.331 174 1HD1 LEU 23 HD11 LEU 23 123.995 1.833 15.938 175 2HD1 LEU 23 HD13 LEU 23 124.323 0.194 16.500 176 3HD1 LEU 23 HD12 LEU 23 125.353 1.527 17.021 177 1HD2 LEU 23 HD23 LEU 23 125.426 0.025 13.051 178 2HD2 LEU 23 HD22 LEU 23 125.217 -1.108 14.386 179 3HD2 LEU 23 HD21 LEU 23 123.956 0.072 14.023 180 HA PRO 24 HA PRO 24 130.951 3.338 14.985 181 1HB PRO 24 HB2 PRO 24 131.778 2.452 17.536 182 2HB PRO 24 HB1 PRO 24 131.709 4.124 16.966 183 1HG PRO 24 HG2 PRO 24 130.081 2.883 18.946 184 2HG PRO 24 HG1 PRO 24 129.991 4.544 18.345 185 1HD PRO 24 HD2 PRO 24 128.254 2.278 17.742 186 2HD PRO 24 HD1 PRO 24 128.006 3.999 17.407 187 H ASP 25 HN ASP 25 129.207 0.699 16.517 188 HA ASP 25 HA ASP 25 131.204 -1.334 16.261 189 1HB ASP 25 HB2 ASP 25 129.069 -1.524 17.592 190 2HB ASP 25 HB1 ASP 25 128.202 -1.703 16.066 191 H ASP 26 HN ASP 26 128.724 -0.125 14.034 192 HA ASP 26 HA ASP 26 129.153 -2.103 11.986 193 1HB ASP 26 HB2 ASP 26 127.141 -0.613 12.133 194 2HB ASP 26 HB1 ASP 26 128.161 0.744 11.654 195 H LEU 27 HN LEU 27 130.697 0.962 12.775 196 HA LEU 27 HA LEU 27 132.131 1.336 10.329 197 1HB LEU 27 HB2 LEU 27 132.552 2.238 13.170 198 2HB LEU 27 HB1 LEU 27 133.778 2.565 11.945 199 HG LEU 27 HG LEU 27 130.887 3.232 11.430 200 1HD1 LEU 27 HD13 LEU 27 132.881 4.694 13.130 201 2HD1 LEU 27 HD12 LEU 27 131.758 5.623 12.138 202 3HD1 LEU 27 HD11 LEU 27 131.142 4.509 13.360 203 1HD2 LEU 27 HD22 LEU 27 132.845 3.217 9.697 204 2HD2 LEU 27 HD21 LEU 27 131.759 4.605 9.733 205 3HD2 LEU 27 HD23 LEU 27 133.344 4.705 10.499 206 H HIS 28 HN HIS 28 132.865 -0.520 13.259 207 HA HIS 28 HA HIS 28 135.559 -1.212 12.586 208 1HB HIS 28 HB2 HIS 28 133.515 -2.757 14.212 209 2HB HIS 28 HB1 HIS 28 135.249 -3.078 14.191 210 HD1 HIS 28 HD1 HIS 28 136.394 -0.265 14.344 211 HD2 HIS 28 HD2 HIS 28 133.161 -1.509 16.663 212 HE1 HIS 28 HE1 HIS 28 136.312 1.283 16.348 213 H TYR 29 HN TYR 29 132.442 -2.698 11.784 214 HA TYR 29 HA TYR 29 133.642 -4.989 10.445 215 1HB TYR 29 HB2 TYR 29 131.292 -4.866 11.466 216 2HB TYR 29 HB1 TYR 29 130.835 -3.943 10.034 217 HD1 TYR 29 HD1 TYR 29 132.863 -7.021 10.780 218 HD2 TYR 29 HD2 TYR 29 129.842 -5.183 8.342 219 HE1 TYR 29 HE1 TYR 29 132.618 -9.128 9.496 220 HE2 TYR 29 HE2 TYR 29 129.596 -7.291 7.059 221 HH TYR 29 HH TYR 29 131.545 -9.477 6.725 222 H PHE 30 HN PHE 30 132.582 -1.772 9.512 223 HA PHE 30 HA PHE 30 132.470 -2.158 6.684 224 1HB PHE 30 HB2 PHE 30 131.643 -0.129 7.920 225 2HB PHE 30 HB1 PHE 30 133.323 0.355 8.150 226 HD1 PHE 30 HD1 PHE 30 130.862 -0.575 5.489 227 HD2 PHE 30 HD2 PHE 30 134.447 1.572 6.482 228 HE1 PHE 30 HE1 PHE 30 130.882 0.438 3.226 229 HE2 PHE 30 HE2 PHE 30 134.466 2.585 4.219 230 HZ PHE 30 HZ PHE 30 132.684 2.018 2.590 231 H ARG 31 HN ARG 31 135.156 -1.443 8.879 232 HA ARG 31 HA ARG 31 137.119 -0.944 6.837 233 1HB ARG 31 HB2 ARG 31 137.190 -0.532 9.440 234 2HB ARG 31 HB1 ARG 31 137.848 -2.169 9.479 235 1HG ARG 31 HG2 ARG 31 139.745 -1.578 8.241 236 2HG ARG 31 HG1 ARG 31 138.973 -0.147 7.560 237 1HD ARG 31 HD2 ARG 31 140.289 0.880 9.151 238 2HD ARG 31 HD1 ARG 31 138.864 0.556 10.137 239 HE ARG 31 HE ARG 31 140.165 -0.948 11.383 240 1HH1 ARG 31 HH11 ARG 31 141.615 -0.465 8.237 241 2HH1 ARG 31 HH12 ARG 31 143.001 -1.426 8.616 242 1HH2 ARG 31 HH21 ARG 31 141.977 -2.182 11.832 243 2HH2 ARG 31 HH22 ARG 31 143.205 -2.388 10.629 244 H ALA 32 HN ALA 32 135.900 -3.868 8.378 245 HA ALA 32 HA ALA 32 137.951 -5.639 7.381 246 1HB ALA 32 HB3 ALA 32 136.183 -6.032 9.259 247 2HB ALA 32 HB2 ALA 32 135.120 -6.509 7.935 248 3HB ALA 32 HB1 ALA 32 136.622 -7.389 8.219 249 H GLN 33 HN GLN 33 134.955 -4.364 6.059 250 HA GLN 33 HA GLN 33 135.199 -6.133 3.681 251 1HB GLN 33 HB2 GLN 33 133.040 -4.136 4.429 252 2HB GLN 33 HB1 GLN 33 132.985 -5.252 3.064 253 1HG GLN 33 HG2 GLN 33 132.760 -7.133 4.440 254 2HG GLN 33 HG1 GLN 33 133.432 -6.304 5.845 255 1HE2 GLN 33 HE22 GLN 33 130.313 -4.482 6.439 256 2HE2 GLN 33 HE21 GLN 33 131.982 -4.176 6.382 257 H THR 34 HN THR 34 137.185 -4.075 4.129 258 HA THR 34 HA THR 34 136.854 -2.603 1.587 259 HB THR 34 HB THR 34 137.668 -0.482 2.807 260 HG1 THR 34 HG1 THR 34 136.551 -1.902 4.991 261 1HG2 THR 34 HG21 THR 34 135.280 -1.104 1.952 262 2HG2 THR 34 HG23 THR 34 134.905 -1.302 3.664 263 3HG2 THR 34 HG22 THR 34 135.460 0.258 3.057 264 H VAL 35 HN VAL 35 138.928 -3.145 4.442 265 HA VAL 35 HA VAL 35 141.397 -2.442 3.193 266 HB VAL 35 HB VAL 35 142.442 -3.795 5.008 267 1HG1 VAL 35 HG11 VAL 35 141.505 -1.442 5.324 268 2HG1 VAL 35 HG13 VAL 35 140.100 -2.203 6.072 269 3HG1 VAL 35 HG12 VAL 35 141.696 -2.394 6.796 270 1HG2 VAL 35 HG22 VAL 35 139.675 -4.863 5.116 271 2HG2 VAL 35 HG21 VAL 35 141.199 -5.642 5.540 272 3HG2 VAL 35 HG23 VAL 35 140.424 -4.543 6.679 273 H GLY 36 HN GLY 36 142.458 -3.464 1.576 274 1HA GLY 36 HA2 GLY 36 143.374 -5.275 0.348 275 2HA GLY 36 HA1 GLY 36 142.528 -6.390 1.421 276 H LYS 37 HN LYS 37 140.907 -3.743 -0.227 277 HA LYS 37 HA LYS 37 139.891 -5.467 -2.374 278 1HB LYS 37 HB2 LYS 37 138.188 -4.614 -0.033 279 2HB LYS 37 HB1 LYS 37 137.473 -4.930 -1.614 280 1HG LYS 37 HG2 LYS 37 138.689 -7.178 -1.559 281 2HG LYS 37 HG1 LYS 37 139.005 -6.853 0.145 282 1HD LYS 37 HD2 LYS 37 136.202 -6.565 -0.873 283 2HD LYS 37 HD1 LYS 37 136.836 -8.186 -0.584 284 1HE LYS 37 HE2 LYS 37 137.084 -6.013 1.496 285 2HE LYS 37 HE1 LYS 37 135.637 -7.015 1.383 286 1HZ LYS 37 HZ2 LYS 37 137.059 -8.982 1.573 287 2HZ LYS 37 HZ1 LYS 37 138.419 -7.983 1.765 288 3HZ LYS 37 HZ3 LYS 37 137.190 -7.975 2.934 289 H ILE 38 HN ILE 38 137.924 -4.070 -3.435 290 HA ILE 38 HA ILE 38 139.100 -1.367 -3.852 291 HB ILE 38 HB ILE 38 136.995 -2.809 -5.493 292 1HG1 ILE 38 HG12 ILE 38 139.956 -2.512 -6.074 293 2HG1 ILE 38 HG11 ILE 38 139.245 -3.968 -5.374 294 1HG2 ILE 38 HG22 ILE 38 137.237 -0.248 -5.590 295 2HG2 ILE 38 HG21 ILE 38 138.814 -0.543 -6.323 296 3HG2 ILE 38 HG23 ILE 38 137.349 -1.115 -7.121 297 1HD1 ILE 38 HD13 ILE 38 137.745 -4.164 -7.337 298 2HD1 ILE 38 HD12 ILE 38 138.499 -2.735 -8.043 299 3HD1 ILE 38 HD11 ILE 38 139.443 -4.206 -7.812 300 H MET 39 HN MET 39 138.018 0.436 -3.192 301 HA MET 39 HA MET 39 135.309 0.051 -2.001 302 1HB MET 39 HB2 MET 39 137.324 1.038 -0.682 303 2HB MET 39 HB1 MET 39 137.030 2.496 -1.630 304 1HG MET 39 HG2 MET 39 134.664 2.488 -0.859 305 2HG MET 39 HG1 MET 39 135.019 1.083 0.147 306 1HE MET 39 HE2 MET 39 135.688 4.489 -0.887 307 2HE MET 39 HE1 MET 39 136.130 5.418 0.543 308 3HE MET 39 HE3 MET 39 137.367 4.530 -0.359 309 H VAL 40 HN VAL 40 133.851 0.421 -3.641 310 HA VAL 40 HA VAL 40 134.294 2.701 -5.487 311 HB VAL 40 HB VAL 40 132.054 0.656 -5.471 312 1HG1 VAL 40 HG13 VAL 40 133.021 2.730 -7.449 313 2HG1 VAL 40 HG12 VAL 40 131.988 1.382 -7.924 314 3HG1 VAL 40 HG11 VAL 40 131.410 2.566 -6.751 315 1HG2 VAL 40 HG23 VAL 40 134.314 -0.373 -5.734 316 2HG2 VAL 40 HG22 VAL 40 133.338 -0.511 -7.197 317 3HG2 VAL 40 HG21 VAL 40 134.616 0.702 -7.100 318 H VAL 41 HN VAL 41 133.537 4.639 -4.812 319 HA VAL 41 HA VAL 41 130.850 4.739 -3.528 320 HB VAL 41 HB VAL 41 131.724 6.491 -1.959 321 1HG1 VAL 41 HG11 VAL 41 131.493 4.053 -1.347 322 2HG1 VAL 41 HG13 VAL 41 133.203 3.855 -1.732 323 3HG1 VAL 41 HG12 VAL 41 132.714 4.918 -0.412 324 1HG2 VAL 41 HG23 VAL 41 133.762 6.924 -3.478 325 2HG2 VAL 41 HG22 VAL 41 134.059 6.886 -1.740 326 3HG2 VAL 41 HG21 VAL 41 134.469 5.490 -2.735 327 H GLY 42 HN GLY 42 129.885 6.939 -3.688 328 1HA GLY 42 HA2 GLY 42 130.651 8.201 -6.255 329 2HA GLY 42 HA1 GLY 42 129.145 8.478 -5.379 330 H ARG 43 HN ARG 43 129.749 10.801 -5.827 331 HA ARG 43 HA ARG 43 131.991 11.907 -4.288 332 1HB ARG 43 HB2 ARG 43 130.994 12.782 -6.540 333 2HB ARG 43 HB1 ARG 43 129.782 13.547 -5.513 334 1HG ARG 43 HG2 ARG 43 132.608 13.890 -4.666 335 2HG ARG 43 HG1 ARG 43 132.134 14.731 -6.142 336 1HD ARG 43 HD2 ARG 43 130.306 14.901 -3.782 337 2HD ARG 43 HD1 ARG 43 131.790 15.855 -3.753 338 HE ARG 43 HE ARG 43 130.323 16.149 -6.249 339 1HH1 ARG 43 HH11 ARG 43 130.596 17.256 -2.943 340 2HH1 ARG 43 HH12 ARG 43 129.871 18.787 -3.290 341 1HH2 ARG 43 HH21 ARG 43 129.389 18.142 -6.652 342 2HH2 ARG 43 HH22 ARG 43 129.194 19.285 -5.366 343 H ARG 44 HN ARG 44 128.500 11.581 -3.966 344 HA ARG 44 HA ARG 44 128.194 13.401 -1.752 345 1HB ARG 44 HB2 ARG 44 126.394 12.289 -3.314 346 2HB ARG 44 HB1 ARG 44 126.433 10.994 -2.117 347 1HG ARG 44 HG2 ARG 44 124.853 12.295 -1.089 348 2HG ARG 44 HG1 ARG 44 126.277 13.126 -0.463 349 1HD ARG 44 HD2 ARG 44 125.478 14.072 -3.127 350 2HD ARG 44 HD1 ARG 44 124.236 14.321 -1.899 351 HE ARG 44 HE ARG 44 126.799 15.695 -2.042 352 1HH1 ARG 44 HH21 ARG 44 124.248 14.599 0.085 353 2HH1 ARG 44 HH22 ARG 44 124.599 15.793 1.285 354 1HH2 ARG 44 HH11 ARG 44 127.218 17.222 -0.461 355 2HH2 ARG 44 HH12 ARG 44 126.262 17.263 0.981 356 H THR 45 HN THR 45 129.108 10.019 -2.032 357 HA THR 45 HA THR 45 128.985 9.623 0.893 358 HB THR 45 HB THR 45 130.220 7.660 -1.017 359 HG1 THR 45 HG1 THR 45 128.363 8.136 -2.074 360 1HG2 THR 45 HG21 THR 45 129.992 7.447 1.568 361 2HG2 THR 45 HG23 THR 45 128.290 7.131 1.230 362 3HG2 THR 45 HG22 THR 45 129.532 6.070 0.567 363 H TYR 46 HN TYR 46 131.350 10.187 -1.651 364 HA TYR 46 HA TYR 46 133.708 9.522 -0.171 365 1HB TYR 46 HB2 TYR 46 133.545 9.981 -2.669 366 2HB TYR 46 HB1 TYR 46 133.486 11.697 -2.266 367 HD1 TYR 46 HD2 TYR 46 135.500 8.642 -1.415 368 HD2 TYR 46 HD1 TYR 46 135.496 12.866 -2.194 369 HE1 TYR 46 HE2 TYR 46 137.971 8.682 -1.210 370 HE2 TYR 46 HE1 TYR 46 137.967 12.906 -1.990 371 HH TYR 46 HH TYR 46 139.853 11.331 -2.208 372 H GLU 47 HN GLU 47 131.738 12.451 -0.331 373 HA GLU 47 HA GLU 47 133.603 14.057 1.228 374 1HB GLU 47 HB2 GLU 47 130.743 14.417 0.333 375 2HB GLU 47 HB1 GLU 47 131.515 15.566 1.427 376 1HG GLU 47 HG2 GLU 47 133.450 15.465 -0.399 377 2HG GLU 47 HG1 GLU 47 132.112 14.990 -1.446 378 H SER 48 HN SER 48 131.001 11.841 1.954 379 HA SER 48 HA SER 48 130.326 12.767 4.570 380 1HB SER 48 HB2 SER 48 129.292 10.639 4.886 381 2HB SER 48 HB1 SER 48 129.122 10.995 3.169 382 HG SER 48 HG SER 48 129.944 8.835 3.801 383 H PHE 49 HN PHE 49 133.026 10.870 3.369 384 HA PHE 49 HA PHE 49 133.907 9.803 5.878 385 1HB PHE 49 HB2 PHE 49 135.519 10.532 3.412 386 2HB PHE 49 HB1 PHE 49 136.100 9.537 4.746 387 HD1 PHE 49 HD1 PHE 49 134.042 7.725 5.433 388 HD2 PHE 49 HD2 PHE 49 135.022 9.249 1.538 389 HE1 PHE 49 HE1 PHE 49 133.012 5.724 4.391 390 HE2 PHE 49 HE2 PHE 49 133.991 7.249 0.496 391 HZ PHE 49 HZ PHE 49 132.986 5.486 1.923 392 HA PRO 50 HA PRO 50 135.751 13.408 7.754 393 1HB PRO 50 HB2 PRO 50 137.568 12.084 9.393 394 2HB PRO 50 HB1 PRO 50 135.858 12.342 9.765 395 1HG PRO 50 HG2 PRO 50 137.208 9.872 9.167 396 2HG PRO 50 HG1 PRO 50 135.524 10.123 9.650 397 1HD PRO 50 HD2 PRO 50 136.605 9.585 6.996 398 2HD PRO 50 HD1 PRO 50 134.921 9.565 7.543 399 H LYS 51 HN LYS 51 138.296 10.930 7.241 400 HA LYS 51 HA LYS 51 140.051 13.095 6.160 401 1HB LYS 51 HB2 LYS 51 140.775 11.700 8.197 402 2HB LYS 51 HB1 LYS 51 140.954 10.356 7.069 403 1HG LYS 51 HG2 LYS 51 142.563 11.612 5.748 404 2HG LYS 51 HG1 LYS 51 142.310 13.049 6.740 405 1HD LYS 51 HD2 LYS 51 142.994 11.489 8.726 406 2HD LYS 51 HD1 LYS 51 143.700 10.481 7.461 407 1HE LYS 51 HE2 LYS 51 145.042 12.373 6.669 408 2HE LYS 51 HE1 LYS 51 144.303 13.424 7.876 409 1HZ LYS 51 HZ1 LYS 51 145.182 11.905 9.595 410 2HZ LYS 51 HZ3 LYS 51 146.005 11.047 8.386 411 3HZ LYS 51 HZ2 LYS 51 146.401 12.671 8.693 412 H ARG 52 HN ARG 52 139.791 13.100 3.958 413 HA ARG 52 HA ARG 52 139.659 10.476 2.550 414 1HB ARG 52 HB2 ARG 52 139.082 13.253 1.475 415 2HB ARG 52 HB1 ARG 52 138.788 11.727 0.642 416 1HG ARG 52 HG2 ARG 52 136.926 11.244 1.890 417 2HG ARG 52 HG1 ARG 52 137.569 12.014 3.340 418 1HD ARG 52 HD2 ARG 52 137.301 14.175 1.688 419 2HD ARG 52 HD1 ARG 52 135.952 13.173 1.155 420 HE ARG 52 HE ARG 52 135.765 13.135 3.922 421 1HH1 ARG 52 HH21 ARG 52 135.901 15.637 1.482 422 2HH1 ARG 52 HH22 ARG 52 134.959 16.742 2.419 423 1HH2 ARG 52 HH11 ARG 52 134.550 14.597 5.101 424 2HH2 ARG 52 HH12 ARG 52 134.202 16.162 4.446 425 HA PRO 53 HA PRO 53 140.001 9.590 0.682 426 1HB PRO 53 HB2 PRO 53 141.920 7.894 -0.409 427 2HB PRO 53 HB1 PRO 53 140.998 9.106 -1.311 428 1HG PRO 53 HG2 PRO 53 143.806 9.090 -0.715 429 2HG PRO 53 HG1 PRO 53 142.890 10.267 -1.665 430 1HD PRO 53 HD2 PRO 53 143.846 10.468 1.097 431 2HD PRO 53 HD1 PRO 53 143.261 11.745 0.017 432 H LEU 54 HN LEU 54 139.897 7.225 1.306 433 HA LEU 54 HA LEU 54 140.951 6.862 3.999 434 1HB LEU 54 HB2 LEU 54 139.355 5.020 2.197 435 2HB LEU 54 HB1 LEU 54 139.741 4.679 3.884 436 HG LEU 54 HG LEU 54 138.237 7.137 2.940 437 1HD1 LEU 54 HD13 LEU 54 137.337 4.431 3.895 438 2HD1 LEU 54 HD12 LEU 54 136.352 5.855 4.232 439 3HD1 LEU 54 HD11 LEU 54 136.708 5.403 2.565 440 1HD2 LEU 54 HD22 LEU 54 139.098 6.040 5.607 441 2HD2 LEU 54 HD21 LEU 54 139.192 7.696 5.006 442 3HD2 LEU 54 HD23 LEU 54 137.637 7.021 5.495 443 HA PRO 55 HA PRO 55 144.643 4.759 2.440 444 1HB PRO 55 HB2 PRO 55 145.734 4.373 4.985 445 2HB PRO 55 HB1 PRO 55 146.006 5.776 3.943 446 1HG PRO 55 HG2 PRO 55 144.554 5.647 6.417 447 2HG PRO 55 HG1 PRO 55 144.900 7.061 5.412 448 1HD PRO 55 HD2 PRO 55 142.414 5.567 5.663 449 2HD PRO 55 HD1 PRO 55 142.708 7.121 4.866 450 H GLU 56 HN GLU 56 145.822 2.644 3.132 451 HA GLU 56 HA GLU 56 145.710 0.330 3.472 452 1HB GLU 56 HB2 GLU 56 143.473 1.008 5.404 453 2HB GLU 56 HB1 GLU 56 144.442 -0.465 5.383 454 1HG GLU 56 HG2 GLU 56 145.690 2.268 5.710 455 2HG GLU 56 HG1 GLU 56 145.128 1.324 7.090 456 H ARG 57 HN ARG 57 144.020 1.662 1.423 457 HA ARG 57 HA ARG 57 142.550 -0.611 0.522 458 1HB ARG 57 HB2 ARG 57 140.237 0.293 0.759 459 2HB ARG 57 HB1 ARG 57 140.980 -0.072 2.316 460 1HG ARG 57 HG2 ARG 57 141.744 2.422 2.269 461 2HG ARG 57 HG1 ARG 57 140.485 2.614 1.048 462 1HD ARG 57 HD2 ARG 57 139.191 2.998 2.905 463 2HD ARG 57 HD1 ARG 57 139.081 1.238 2.885 464 HE ARG 57 HE ARG 57 141.392 2.068 4.383 465 1HH1 ARG 57 HH21 ARG 57 137.903 1.872 4.556 466 2HH1 ARG 57 HH22 ARG 57 137.896 1.758 6.281 467 1HH2 ARG 57 HH11 ARG 57 141.333 1.917 6.614 468 2HH2 ARG 57 HH12 ARG 57 139.814 1.785 7.435 469 H THR 58 HN THR 58 141.220 -0.039 -1.456 470 HA THR 58 HA THR 58 142.590 2.141 -2.921 471 HB THR 58 HB THR 58 140.593 0.154 -4.028 472 HG1 THR 58 HG1 THR 58 142.125 -1.294 -4.082 473 1HG2 THR 58 HG22 THR 58 141.218 2.157 -5.392 474 2HG2 THR 58 HG21 THR 58 142.900 1.636 -5.317 475 3HG2 THR 58 HG23 THR 58 141.702 0.633 -6.135 476 H ASN 59 HN ASN 59 141.553 4.002 -3.546 477 HA ASN 59 HA ASN 59 138.695 4.286 -2.729 478 1HB ASN 59 HB2 ASN 59 140.960 6.256 -3.041 479 2HB ASN 59 HB1 ASN 59 139.280 6.794 -3.001 480 1HD2 ASN 59 HD22 ASN 59 140.759 4.975 0.391 481 2HD2 ASN 59 HD21 ASN 59 141.335 4.475 -1.127 482 H VAL 60 HN VAL 60 137.182 4.554 -4.300 483 HA VAL 60 HA VAL 60 138.083 5.436 -7.007 484 HB VAL 60 HB VAL 60 136.094 3.207 -6.483 485 1HG1 VAL 60 HG11 VAL 60 137.415 4.220 -9.020 486 2HG1 VAL 60 HG13 VAL 60 136.316 2.845 -8.917 487 3HG1 VAL 60 HG12 VAL 60 135.730 4.472 -8.570 488 1HG2 VAL 60 HG23 VAL 60 139.040 3.197 -7.145 489 2HG2 VAL 60 HG22 VAL 60 138.195 2.286 -5.893 490 3HG2 VAL 60 HG21 VAL 60 138.002 1.844 -7.590 491 H VAL 61 HN VAL 61 137.104 7.422 -7.094 492 HA VAL 61 HA VAL 61 134.358 7.749 -6.032 493 HB VAL 61 HB VAL 61 136.182 9.815 -7.300 494 1HG1 VAL 61 HG12 VAL 61 133.623 10.176 -7.093 495 2HG1 VAL 61 HG11 VAL 61 133.920 10.274 -5.357 496 3HG1 VAL 61 HG13 VAL 61 134.683 11.430 -6.448 497 1HG2 VAL 61 HG22 VAL 61 135.838 8.890 -4.439 498 2HG2 VAL 61 HG21 VAL 61 137.333 9.019 -5.366 499 3HG2 VAL 61 HG23 VAL 61 136.494 10.477 -4.839 500 H LEU 62 HN LEU 62 132.579 7.969 -7.341 501 HA LEU 62 HA LEU 62 133.055 8.042 -10.296 502 1HB LEU 62 HB2 LEU 62 132.255 5.811 -9.419 503 2HB LEU 62 HB1 LEU 62 130.777 6.618 -8.892 504 HG LEU 62 HG LEU 62 130.772 7.495 -11.402 505 1HD1 LEU 62 HD12 LEU 62 132.520 5.036 -11.409 506 2HD1 LEU 62 HD11 LEU 62 131.548 5.465 -12.817 507 3HD1 LEU 62 HD13 LEU 62 132.785 6.576 -12.227 508 1HD2 LEU 62 HD23 LEU 62 129.849 4.889 -10.230 509 2HD2 LEU 62 HD22 LEU 62 128.894 6.281 -10.741 510 3HD2 LEU 62 HD21 LEU 62 129.587 5.197 -11.947 511 H THR 63 HN THR 63 132.481 10.098 -10.860 512 HA THR 63 HA THR 63 129.762 11.023 -10.072 513 HB THR 63 HB THR 63 131.271 12.184 -8.555 514 HG1 THR 63 HG1 THR 63 130.004 13.780 -9.009 515 1HG2 THR 63 HG21 THR 63 132.827 12.673 -11.088 516 2HG2 THR 63 HG23 THR 63 133.018 13.729 -9.689 517 3HG2 THR 63 HG22 THR 63 133.397 12.012 -9.555 518 H HIS 64 HN HIS 64 129.316 13.149 -11.455 519 HA HIS 64 HA HIS 64 130.179 12.525 -14.249 520 1HB HIS 64 HB2 HIS 64 128.071 13.713 -14.918 521 2HB HIS 64 HB1 HIS 64 127.780 12.262 -13.960 522 HD1 HIS 64 HD1 HIS 64 127.863 16.037 -13.633 523 HD2 HIS 64 HD2 HIS 64 126.516 12.719 -11.499 524 HE1 HIS 64 HE1 HIS 64 126.495 16.935 -11.701 525 H GLN 65 HN GLN 65 131.619 14.226 -12.284 526 HA GLN 65 HA GLN 65 131.408 16.855 -13.700 527 1HB GLN 65 HB2 GLN 65 130.929 16.781 -11.184 528 2HB GLN 65 HB1 GLN 65 132.642 16.410 -10.974 529 1HG GLN 65 HG2 GLN 65 132.660 18.734 -10.810 530 2HG GLN 65 HG1 GLN 65 132.987 18.508 -12.529 531 1HE2 GLN 65 HE22 GLN 65 129.533 20.291 -11.360 532 2HE2 GLN 65 HE21 GLN 65 130.672 19.749 -10.225 533 H GLU 66 HN GLU 66 133.235 17.595 -14.722 534 HA GLU 66 HA GLU 66 135.639 15.838 -14.610 535 1HB GLU 66 HB2 GLU 66 134.667 17.853 -16.650 536 2HB GLU 66 HB1 GLU 66 136.268 17.116 -16.719 537 1HG GLU 66 HG2 GLU 66 135.364 14.931 -16.999 538 2HG GLU 66 HG1 GLU 66 133.746 15.460 -16.535 539 H ASP 67 HN ASP 67 134.975 17.879 -12.563 540 HA ASP 67 HA ASP 67 137.436 19.550 -12.865 541 1HB ASP 67 HB2 ASP 67 134.705 20.387 -11.860 542 2HB ASP 67 HB1 ASP 67 136.168 21.325 -11.553 543 H TYR 68 HN TYR 68 136.866 16.968 -11.443 544 HA TYR 68 HA TYR 68 137.024 17.764 -8.594 545 1HB TYR 68 HB2 TYR 68 135.753 15.682 -9.703 546 2HB TYR 68 HB1 TYR 68 137.325 14.921 -9.454 547 HD1 TYR 68 HD1 TYR 68 135.032 17.239 -7.582 548 HD2 TYR 68 HD2 TYR 68 137.609 13.806 -7.435 549 HE1 TYR 68 HE1 TYR 68 134.514 16.954 -5.173 550 HE2 TYR 68 HE2 TYR 68 137.092 13.522 -5.027 551 HH TYR 68 HH TYR 68 135.664 15.892 -3.161 552 H GLN 69 HN GLN 69 138.943 17.881 -7.527 553 HA GLN 69 HA GLN 69 141.339 16.632 -8.813 554 1HB GLN 69 HB2 GLN 69 141.015 19.365 -7.565 555 2HB GLN 69 HB1 GLN 69 142.599 18.607 -7.735 556 1HG GLN 69 HG2 GLN 69 142.400 18.508 -10.118 557 2HG GLN 69 HG1 GLN 69 140.688 18.931 -10.057 558 1HE2 GLN 69 HE22 GLN 69 141.566 22.308 -10.530 559 2HE2 GLN 69 HE21 GLN 69 140.612 20.992 -11.017 560 H ALA 70 HN ALA 70 140.670 14.851 -7.280 561 HA ALA 70 HA ALA 70 141.542 15.435 -4.479 562 1HB ALA 70 HB3 ALA 70 139.592 13.445 -5.632 563 2HB ALA 70 HB2 ALA 70 140.317 13.184 -4.047 564 3HB ALA 70 HB1 ALA 70 139.333 14.618 -4.341 565 H GLN 71 HN GLN 71 143.781 15.106 -4.876 566 HA GLN 71 HA GLN 71 144.839 12.822 -6.266 567 1HB GLN 71 HB2 GLN 71 145.980 14.831 -4.333 568 2HB GLN 71 HB1 GLN 71 146.940 13.443 -4.848 569 1HG GLN 71 HG2 GLN 71 147.002 14.138 -7.073 570 2HG GLN 71 HG1 GLN 71 145.540 15.113 -6.914 571 1HE2 GLN 71 HE22 GLN 71 149.027 16.960 -6.535 572 2HE2 GLN 71 HE21 GLN 71 148.793 15.477 -7.327 573 H GLY 72 HN GLY 72 146.026 11.019 -5.243 574 1HA GLY 72 HA2 GLY 72 146.389 9.408 -3.539 575 2HA GLY 72 HA1 GLY 72 145.461 10.414 -2.429 576 H ALA 73 HN ALA 73 143.805 9.922 -5.382 577 HA ALA 73 HA ALA 73 142.440 7.480 -4.397 578 1HB ALA 73 HB3 ALA 73 141.025 10.083 -5.053 579 2HB ALA 73 HB2 ALA 73 140.222 8.547 -4.731 580 3HB ALA 73 HB1 ALA 73 141.146 9.342 -3.457 581 H VAL 74 HN VAL 74 140.600 6.993 -6.172 582 HA VAL 74 HA VAL 74 141.936 7.303 -8.832 583 HB VAL 74 HB VAL 74 140.054 5.098 -7.938 584 1HG1 VAL 74 HG11 VAL 74 140.154 5.578 -10.386 585 2HG1 VAL 74 HG13 VAL 74 141.897 5.316 -10.337 586 3HG1 VAL 74 HG12 VAL 74 140.796 3.986 -9.980 587 1HG2 VAL 74 HG22 VAL 74 143.053 5.366 -7.895 588 2HG2 VAL 74 HG21 VAL 74 141.983 4.705 -6.660 589 3HG2 VAL 74 HG23 VAL 74 142.311 3.782 -8.126 590 H VAL 75 HN VAL 75 140.833 9.169 -9.512 591 HA VAL 75 HA VAL 75 137.904 9.310 -9.336 592 HB VAL 75 HB VAL 75 139.824 11.120 -10.834 593 1HG1 VAL 75 HG13 VAL 75 137.334 11.189 -11.374 594 2HG1 VAL 75 HG12 VAL 75 137.076 11.721 -9.713 595 3HG1 VAL 75 HG11 VAL 75 138.030 12.711 -10.818 596 1HG2 VAL 75 HG21 VAL 75 138.847 11.127 -7.970 597 2HG2 VAL 75 HG23 VAL 75 140.513 11.155 -8.544 598 3HG2 VAL 75 HG22 VAL 75 139.484 12.572 -8.752 599 H VAL 76 HN VAL 76 136.685 8.187 -10.765 600 HA VAL 76 HA VAL 76 137.729 7.858 -13.552 601 HB VAL 76 HB VAL 76 136.294 5.802 -13.633 602 1HG1 VAL 76 HG13 VAL 76 138.443 6.010 -11.508 603 2HG1 VAL 76 HG12 VAL 76 137.761 4.474 -12.043 604 3HG1 VAL 76 HG11 VAL 76 138.636 5.494 -13.184 605 1HG2 VAL 76 HG22 VAL 76 134.766 6.584 -11.777 606 2HG2 VAL 76 HG21 VAL 76 135.340 4.927 -11.590 607 3HG2 VAL 76 HG23 VAL 76 136.065 6.223 -10.639 608 H HIS 77 HN HIS 77 135.834 7.524 -15.149 609 HA HIS 77 HA HIS 77 133.402 9.043 -14.373 610 1HB HIS 77 HB2 HIS 77 135.071 9.723 -16.815 611 2HB HIS 77 HB1 HIS 77 133.576 10.514 -16.314 612 HD1 HIS 77 HD1 HIS 77 133.681 12.062 -14.216 613 HD2 HIS 77 HD2 HIS 77 137.371 10.476 -15.330 614 HE1 HIS 77 HE1 HIS 77 135.435 13.360 -12.929 615 H ASP 78 HN ASP 78 133.890 6.230 -14.956 616 HA ASP 78 HA ASP 78 131.840 5.874 -17.028 617 1HB ASP 78 HB2 ASP 78 134.700 4.973 -17.402 618 2HB ASP 78 HB1 ASP 78 133.361 4.173 -18.225 619 H VAL 79 HN VAL 79 130.515 4.345 -16.199 620 HA VAL 79 HA VAL 79 131.160 2.768 -13.903 621 HB VAL 79 HB VAL 79 129.006 2.214 -15.965 622 1HG1 VAL 79 HG12 VAL 79 129.558 0.459 -14.199 623 2HG1 VAL 79 HG11 VAL 79 129.029 1.634 -12.996 624 3HG1 VAL 79 HG13 VAL 79 127.891 1.036 -14.203 625 1HG2 VAL 79 HG23 VAL 79 129.225 4.205 -13.722 626 2HG2 VAL 79 HG22 VAL 79 128.556 4.424 -15.340 627 3HG2 VAL 79 HG21 VAL 79 127.650 3.520 -14.126 628 H ALA 80 HN ALA 80 131.336 2.108 -17.369 629 HA ALA 80 HA ALA 80 131.855 -0.722 -17.113 630 1HB ALA 80 HB2 ALA 80 131.118 0.595 -19.213 631 2HB ALA 80 HB1 ALA 80 132.825 1.005 -19.391 632 3HB ALA 80 HB3 ALA 80 132.313 -0.683 -19.435 633 H ALA 81 HN ALA 81 133.886 2.169 -17.161 634 HA ALA 81 HA ALA 81 136.412 0.831 -17.416 635 1HB ALA 81 HB2 ALA 81 135.674 3.484 -16.146 636 2HB ALA 81 HB1 ALA 81 137.332 2.944 -16.408 637 3HB ALA 81 HB3 ALA 81 136.268 3.223 -17.787 638 H VAL 82 HN VAL 82 134.398 1.671 -14.624 639 HA VAL 82 HA VAL 82 136.288 0.981 -12.590 640 HB VAL 82 HB VAL 82 133.268 0.728 -12.459 641 1HG1 VAL 82 HG12 VAL 82 135.466 0.999 -10.396 642 2HG1 VAL 82 HG11 VAL 82 133.774 1.332 -10.026 643 3HG1 VAL 82 HG13 VAL 82 134.263 -0.284 -10.536 644 1HG2 VAL 82 HG22 VAL 82 135.126 3.080 -12.384 645 2HG2 VAL 82 HG21 VAL 82 133.510 2.954 -13.080 646 3HG2 VAL 82 HG23 VAL 82 133.709 3.096 -11.334 647 H PHE 83 HN PHE 83 134.047 -0.944 -14.513 648 HA PHE 83 HA PHE 83 134.348 -3.369 -12.953 649 1HB PHE 83 HB2 PHE 83 133.271 -2.723 -15.690 650 2HB PHE 83 HB1 PHE 83 133.486 -4.401 -15.191 651 HD1 PHE 83 HD2 PHE 83 132.670 -4.777 -12.598 652 HD2 PHE 83 HD1 PHE 83 131.142 -1.854 -15.351 653 HE1 PHE 83 HE2 PHE 83 130.555 -4.667 -11.307 654 HE2 PHE 83 HE1 PHE 83 129.028 -1.744 -14.059 655 HZ PHE 83 HZ PHE 83 128.734 -3.150 -12.038 656 H ALA 84 HN ALA 84 136.032 -1.941 -15.703 657 HA ALA 84 HA ALA 84 137.575 -4.280 -16.387 658 1HB ALA 84 HB2 ALA 84 137.967 -1.324 -16.900 659 2HB ALA 84 HB1 ALA 84 139.097 -2.545 -17.487 660 3HB ALA 84 HB3 ALA 84 137.421 -2.557 -18.037 661 H TYR 85 HN TYR 85 137.996 -1.645 -14.086 662 HA TYR 85 HA TYR 85 140.754 -2.099 -13.467 663 1HB TYR 85 HB2 TYR 85 139.367 -0.090 -12.783 664 2HB TYR 85 HB1 TYR 85 138.626 -1.111 -11.550 665 HD1 TYR 85 HD2 TYR 85 141.976 -0.009 -12.815 666 HD2 TYR 85 HD1 TYR 85 139.656 -1.352 -9.458 667 HE1 TYR 85 HE2 TYR 85 143.911 0.390 -11.317 668 HE2 TYR 85 HE1 TYR 85 141.593 -0.952 -7.960 669 HH TYR 85 HH TYR 85 144.287 -0.886 -8.421 670 H ALA 86 HN ALA 86 137.754 -3.504 -12.200 671 HA ALA 86 HA ALA 86 139.083 -5.060 -10.137 672 1HB ALA 86 HB2 ALA 86 136.613 -4.362 -10.199 673 2HB ALA 86 HB1 ALA 86 136.388 -5.668 -11.362 674 3HB ALA 86 HB3 ALA 86 136.946 -6.029 -9.729 675 H LYS 87 HN LYS 87 138.187 -5.581 -13.502 676 HA LYS 87 HA LYS 87 138.543 -8.427 -13.559 677 1HB LYS 87 HB2 LYS 87 138.583 -6.242 -15.623 678 2HB LYS 87 HB1 LYS 87 139.095 -7.870 -16.071 679 1HG LYS 87 HG2 LYS 87 136.982 -8.803 -15.553 680 2HG LYS 87 HG1 LYS 87 136.494 -7.388 -14.621 681 1HD LYS 87 HD2 LYS 87 136.512 -6.035 -16.708 682 2HD LYS 87 HD1 LYS 87 136.917 -7.488 -17.622 683 1HE LYS 87 HE2 LYS 87 134.788 -8.472 -16.405 684 2HE LYS 87 HE1 LYS 87 134.352 -6.770 -16.246 685 1HZ LYS 87 HZ3 LYS 87 135.065 -8.119 -18.794 686 2HZ LYS 87 HZ2 LYS 87 133.483 -7.764 -18.286 687 3HZ LYS 87 HZ1 LYS 87 134.574 -6.505 -18.618 688 H GLN 88 HN GLN 88 140.785 -5.714 -14.007 689 HA GLN 88 HA GLN 88 143.045 -7.353 -14.756 690 1HB GLN 88 HB2 GLN 88 142.619 -4.514 -13.928 691 2HB GLN 88 HB1 GLN 88 144.254 -5.165 -13.801 692 1HG GLN 88 HG2 GLN 88 143.732 -6.063 -16.241 693 2HG GLN 88 HG1 GLN 88 142.568 -4.737 -16.240 694 1HE2 GLN 88 HE22 GLN 88 145.136 -2.197 -16.010 695 2HE2 GLN 88 HE21 GLN 88 143.556 -2.535 -15.490 696 H HIS 89 HN HIS 89 141.666 -6.301 -11.701 697 HA HIS 89 HA HIS 89 143.853 -7.766 -10.274 698 1HB HIS 89 HB2 HIS 89 142.114 -5.483 -9.288 699 2HB HIS 89 HB1 HIS 89 143.323 -6.330 -8.322 700 HD1 HIS 89 HD1 HIS 89 143.450 -3.242 -9.161 701 HD2 HIS 89 HD2 HIS 89 145.547 -6.359 -10.967 702 HE1 HIS 89 HE1 HIS 89 145.460 -2.192 -10.287 703 HA PRO 90 HA PRO 90 140.069 -10.274 -9.508 704 1HB PRO 90 HB2 PRO 90 141.567 -12.655 -9.457 705 2HB PRO 90 HB1 PRO 90 140.628 -12.035 -10.821 706 1HG PRO 90 HG2 PRO 90 143.466 -12.260 -10.595 707 2HG PRO 90 HG1 PRO 90 142.523 -11.637 -11.955 708 1HD PRO 90 HD2 PRO 90 144.038 -10.161 -9.944 709 2HD PRO 90 HD1 PRO 90 143.358 -9.589 -11.475 710 H ASP 91 HN ASP 91 143.221 -10.225 -7.956 711 HA ASP 91 HA ASP 91 142.588 -11.781 -5.642 712 1HB ASP 91 HB2 ASP 91 144.542 -9.500 -6.051 713 2HB ASP 91 HB1 ASP 91 144.465 -10.465 -4.576 714 H GLN 92 HN GLN 92 141.923 -8.443 -6.512 715 HA GLN 92 HA GLN 92 140.866 -7.879 -3.796 716 1HB GLN 92 HB2 GLN 92 141.293 -6.142 -6.242 717 2HB GLN 92 HB1 GLN 92 140.514 -5.564 -4.768 718 1HG GLN 92 HG2 GLN 92 142.620 -6.451 -3.549 719 2HG GLN 92 HG1 GLN 92 143.362 -6.480 -5.149 720 1HE2 GLN 92 HE22 GLN 92 144.209 -3.086 -4.698 721 2HE2 GLN 92 HE21 GLN 92 144.747 -4.661 -5.030 722 H GLU 93 HN GLU 93 138.656 -6.968 -3.618 723 HA GLU 93 HA GLU 93 136.839 -8.034 -5.746 724 1HB GLU 93 HB2 GLU 93 136.360 -7.870 -2.754 725 2HB GLU 93 HB1 GLU 93 135.186 -8.434 -3.944 726 1HG GLU 93 HG2 GLU 93 137.928 -9.680 -3.667 727 2HG GLU 93 HG1 GLU 93 136.535 -10.250 -2.746 728 H LEU 94 HN LEU 94 134.942 -6.772 -6.178 729 HA LEU 94 HA LEU 94 135.336 -3.893 -5.732 730 1HB LEU 94 HB2 LEU 94 134.487 -5.109 -7.901 731 2HB LEU 94 HB1 LEU 94 132.924 -5.072 -7.083 732 HG LEU 94 HG LEU 94 133.512 -2.545 -6.671 733 1HD1 LEU 94 HD13 LEU 94 135.241 -3.267 -9.056 734 2HD1 LEU 94 HD12 LEU 94 134.842 -1.619 -8.571 735 3HD1 LEU 94 HD11 LEU 94 135.804 -2.644 -7.506 736 1HD2 LEU 94 HD22 LEU 94 131.739 -3.653 -8.212 737 2HD2 LEU 94 HD21 LEU 94 132.205 -1.989 -8.559 738 3HD2 LEU 94 HD23 LEU 94 132.870 -3.309 -9.519 739 H VAL 95 HN VAL 95 134.286 -2.723 -4.194 740 HA VAL 95 HA VAL 95 131.970 -4.011 -2.803 741 HB VAL 95 HB VAL 95 133.993 -2.103 -1.591 742 1HG1 VAL 95 HG13 VAL 95 131.793 -3.809 -0.383 743 2HG1 VAL 95 HG12 VAL 95 132.943 -2.835 0.534 744 3HG1 VAL 95 HG11 VAL 95 131.776 -2.052 -0.531 745 1HG2 VAL 95 HG21 VAL 95 133.748 -5.123 -1.443 746 2HG2 VAL 95 HG23 VAL 95 135.106 -4.200 -2.086 747 3HG2 VAL 95 HG22 VAL 95 134.755 -4.165 -0.358 748 H ILE 96 HN ILE 96 130.111 -2.859 -2.960 749 HA ILE 96 HA ILE 96 130.282 -0.036 -3.902 750 HB ILE 96 HB ILE 96 127.857 -1.851 -3.803 751 1HG1 ILE 96 HG12 ILE 96 129.588 -2.806 -5.281 752 2HG1 ILE 96 HG11 ILE 96 128.237 -2.186 -6.225 753 1HG2 ILE 96 HG21 ILE 96 127.575 0.686 -3.895 754 2HG2 ILE 96 HG23 ILE 96 128.334 0.618 -5.484 755 3HG2 ILE 96 HG22 ILE 96 126.810 -0.222 -5.200 756 1HD1 ILE 96 HD13 ILE 96 130.007 -0.008 -5.941 757 2HD1 ILE 96 HD12 ILE 96 131.026 -1.400 -6.304 758 3HD1 ILE 96 HD11 ILE 96 129.717 -0.956 -7.400 759 H ALA 97 HN ALA 97 130.082 1.478 -2.337 760 HA ALA 97 HA ALA 97 128.572 0.782 0.140 761 1HB ALA 97 HB2 ALA 97 131.076 1.731 -0.002 762 2HB ALA 97 HB1 ALA 97 130.210 3.268 -0.036 763 3HB ALA 97 HB3 ALA 97 129.989 2.163 1.320 764 H GLY 98 HN GLY 98 128.682 2.995 -2.578 765 1HA GLY 98 HA2 GLY 98 126.094 3.758 -2.759 766 2HA GLY 98 HA1 GLY 98 126.633 4.764 -1.414 767 H GLY 99 HN GLY 99 127.288 7.003 -4.205 768 1HA GLY 99 HA2 GLY 99 125.594 6.414 -1.902 769 2HA GLY 99 HA1 GLY 99 125.355 7.723 -3.060 770 H ALA 100 HN ALA 100 123.074 7.166 -3.125 771 HA ALA 100 HA ALA 100 122.093 4.583 -3.873 772 1HB ALA 100 HB3 ALA 100 120.928 7.363 -4.163 773 2HB ALA 100 HB2 ALA 100 120.040 5.903 -4.603 774 3HB ALA 100 HB1 ALA 100 120.545 6.158 -2.933 775 H GLN 101 HN GLN 101 123.123 7.392 -5.769 776 HA GLN 101 HA GLN 101 122.241 6.456 -8.325 777 1HB GLN 101 HB2 GLN 101 124.384 8.374 -7.424 778 2HB GLN 101 HB1 GLN 101 124.205 7.962 -9.131 779 1HG GLN 101 HG2 GLN 101 122.008 8.841 -9.230 780 2HG GLN 101 HG1 GLN 101 121.851 8.868 -7.473 781 1HE2 GLN 101 HE22 GLN 101 122.768 12.273 -7.552 782 2HE2 GLN 101 HE21 GLN 101 121.622 11.112 -7.081 783 H ILE 102 HN ILE 102 125.196 5.880 -6.464 784 HA ILE 102 HA ILE 102 126.578 4.471 -8.583 785 HB ILE 102 HB ILE 102 126.999 4.236 -5.590 786 1HG1 ILE 102 HG12 ILE 102 127.055 6.601 -6.308 787 2HG1 ILE 102 HG11 ILE 102 128.667 6.039 -5.872 788 1HG2 ILE 102 HG22 ILE 102 128.750 3.678 -7.999 789 2HG2 ILE 102 HG21 ILE 102 129.357 3.745 -6.344 790 3HG2 ILE 102 HG23 ILE 102 128.179 2.516 -6.803 791 1HD1 ILE 102 HD12 ILE 102 129.087 5.583 -8.319 792 2HD1 ILE 102 HD11 ILE 102 127.544 6.363 -8.671 793 3HD1 ILE 102 HD13 ILE 102 128.853 7.288 -7.936 794 H PHE 103 HN PHE 103 124.478 3.499 -5.897 795 HA PHE 103 HA PHE 103 124.842 0.675 -6.137 796 1HB PHE 103 HB2 PHE 103 122.617 2.410 -5.078 797 2HB PHE 103 HB1 PHE 103 122.429 0.660 -5.154 798 HD1 PHE 103 HD1 PHE 103 124.966 -0.461 -4.459 799 HD2 PHE 103 HD2 PHE 103 123.097 3.078 -2.898 800 HE1 PHE 103 HE1 PHE 103 126.272 -0.695 -2.364 801 HE2 PHE 103 HE2 PHE 103 124.405 2.844 -0.804 802 HZ PHE 103 HZ PHE 103 125.992 0.957 -0.538 803 H THR 104 HN THR 104 122.680 2.936 -7.801 804 HA THR 104 HA THR 104 121.178 0.896 -9.198 805 HB THR 104 HB THR 104 121.606 3.777 -10.039 806 HG1 THR 104 HG1 THR 104 120.846 3.857 -7.986 807 1HG2 THR 104 HG23 THR 104 120.525 2.170 -11.655 808 2HG2 THR 104 HG22 THR 104 119.250 1.923 -10.462 809 3HG2 THR 104 HG21 THR 104 119.495 3.518 -11.175 810 H ALA 105 HN ALA 105 124.175 2.624 -9.820 811 HA ALA 105 HA ALA 105 124.418 1.983 -12.607 812 1HB ALA 105 HB1 ALA 105 126.511 2.557 -10.492 813 2HB ALA 105 HB3 ALA 105 126.873 2.393 -12.210 814 3HB ALA 105 HB2 ALA 105 125.830 3.700 -11.649 815 H PHE 106 HN PHE 106 125.461 0.306 -9.651 816 HA PHE 106 HA PHE 106 126.429 -1.973 -11.297 817 1HB PHE 106 HB2 PHE 106 126.667 -1.350 -8.339 818 2HB PHE 106 HB1 PHE 106 127.263 -2.835 -9.080 819 HD1 PHE 106 HD1 PHE 106 127.434 0.887 -9.549 820 HD2 PHE 106 HD2 PHE 106 129.459 -2.888 -9.866 821 HE1 PHE 106 HE1 PHE 106 129.509 2.058 -10.232 822 HE2 PHE 106 HE2 PHE 106 131.536 -1.716 -10.550 823 HZ PHE 106 HZ PHE 106 131.561 0.756 -10.732 824 H LYS 107 HN LYS 107 123.600 -1.443 -11.186 825 HA LYS 107 HA LYS 107 122.395 -3.285 -9.264 826 1HB LYS 107 HB2 LYS 107 121.243 -1.235 -10.189 827 2HB LYS 107 HB1 LYS 107 121.133 -2.072 -11.738 828 1HG LYS 107 HG2 LYS 107 119.986 -3.973 -10.480 829 2HG LYS 107 HG1 LYS 107 119.866 -2.869 -9.110 830 1HD LYS 107 HD2 LYS 107 118.592 -1.277 -10.449 831 2HD LYS 107 HD1 LYS 107 118.792 -2.283 -11.885 832 1HE LYS 107 HE2 LYS 107 117.651 -4.150 -10.537 833 2HE LYS 107 HE1 LYS 107 117.192 -2.888 -9.394 834 1HZ LYS 107 HZ1 LYS 107 116.572 -2.874 -12.298 835 2HZ LYS 107 HZ3 LYS 107 115.478 -3.282 -11.068 836 3HZ LYS 107 HZ2 LYS 107 116.093 -1.701 -11.166 837 H ASP 108 HN ASP 108 123.473 -3.403 -12.607 838 HA ASP 108 HA ASP 108 122.342 -6.137 -12.913 839 1HB ASP 108 HB2 ASP 108 123.577 -4.183 -14.867 840 2HB ASP 108 HB1 ASP 108 123.194 -5.850 -15.299 841 H ASP 109 HN ASP 109 124.595 -5.599 -11.116 842 HA ASP 109 HA ASP 109 126.394 -7.680 -12.077 843 1HB ASP 109 HB2 ASP 109 127.174 -4.794 -12.180 844 2HB ASP 109 HB1 ASP 109 128.390 -5.959 -11.653 845 H VAL 110 HN VAL 110 125.389 -8.424 -10.005 846 HA VAL 110 HA VAL 110 127.181 -7.847 -7.762 847 HB VAL 110 HB VAL 110 125.516 -6.039 -7.538 848 1HG1 VAL 110 HG12 VAL 110 123.663 -7.194 -8.717 849 2HG1 VAL 110 HG11 VAL 110 123.488 -8.288 -7.344 850 3HG1 VAL 110 HG13 VAL 110 123.154 -6.567 -7.149 851 1HG2 VAL 110 HG21 VAL 110 125.224 -8.271 -5.501 852 2HG2 VAL 110 HG23 VAL 110 126.431 -6.984 -5.479 853 3HG2 VAL 110 HG22 VAL 110 124.726 -6.600 -5.233 854 H ASP 111 HN ASP 111 127.144 -9.523 -6.214 855 HA ASP 111 HA ASP 111 125.283 -11.792 -6.795 856 1HB ASP 111 HB2 ASP 111 128.267 -11.819 -6.329 857 2HB ASP 111 HB1 ASP 111 127.279 -13.252 -6.042 858 H THR 112 HN THR 112 127.686 -10.718 -4.360 859 HA THR 112 HA THR 112 126.021 -11.865 -2.211 860 HB THR 112 HB THR 112 128.513 -10.234 -1.766 861 HG1 THR 112 HG1 THR 112 128.326 -12.919 -2.652 862 1HG2 THR 112 HG23 THR 112 127.013 -11.187 0.086 863 2HG2 THR 112 HG22 THR 112 127.586 -12.775 -0.425 864 3HG2 THR 112 HG21 THR 112 128.730 -11.577 0.181 865 H LEU 113 HN LEU 113 124.762 -10.651 -0.835 866 HA LEU 113 HA LEU 113 124.820 -7.681 -1.213 867 1HB LEU 113 HB2 LEU 113 122.438 -9.459 -0.606 868 2HB LEU 113 HB1 LEU 113 122.393 -7.702 -0.738 869 HG LEU 113 HG LEU 113 123.361 -9.507 -2.968 870 1HD1 LEU 113 HD12 LEU 113 120.971 -9.942 -2.433 871 2HD1 LEU 113 HD11 LEU 113 120.637 -8.218 -2.611 872 3HD1 LEU 113 HD13 LEU 113 121.165 -9.163 -4.004 873 1HD2 LEU 113 HD21 LEU 113 122.828 -6.571 -2.617 874 2HD2 LEU 113 HD23 LEU 113 124.191 -7.366 -3.402 875 3HD2 LEU 113 HD22 LEU 113 122.625 -7.298 -4.210 876 H LEU 114 HN LEU 114 126.051 -7.140 0.590 877 HA LEU 114 HA LEU 114 125.386 -8.318 3.219 878 1HB LEU 114 HB2 LEU 114 127.485 -6.297 2.369 879 2HB LEU 114 HB1 LEU 114 127.302 -6.914 4.012 880 HG LEU 114 HG LEU 114 127.521 -8.894 1.780 881 1HD1 LEU 114 HD12 LEU 114 129.327 -7.211 1.380 882 2HD1 LEU 114 HD11 LEU 114 129.905 -7.491 3.022 883 3HD1 LEU 114 HD13 LEU 114 129.956 -8.794 1.835 884 1HD2 LEU 114 HD21 LEU 114 127.100 -9.520 4.177 885 2HD2 LEU 114 HD23 LEU 114 128.583 -10.217 3.524 886 3HD2 LEU 114 HD22 LEU 114 128.663 -8.815 4.590 887 H VAL 115 HN VAL 115 123.941 -7.354 4.557 888 HA VAL 115 HA VAL 115 123.564 -4.407 4.370 889 HB VAL 115 HB VAL 115 121.787 -5.468 3.023 890 1HG1 VAL 115 HG11 VAL 115 121.840 -7.635 4.343 891 2HG1 VAL 115 HG13 VAL 115 120.894 -6.813 5.583 892 3HG1 VAL 115 HG12 VAL 115 120.227 -7.029 3.964 893 1HG2 VAL 115 HG21 VAL 115 121.420 -3.446 4.642 894 2HG2 VAL 115 HG23 VAL 115 120.011 -4.229 3.928 895 3HG2 VAL 115 HG22 VAL 115 120.475 -4.595 5.589 896 H THR 116 HN THR 116 122.911 -3.437 6.344 897 HA THR 116 HA THR 116 123.145 -5.229 8.729 898 HB THR 116 HB THR 116 123.615 -2.238 8.656 899 HG1 THR 116 HG1 THR 116 125.841 -2.863 8.618 900 1HG2 THR 116 HG21 THR 116 124.227 -4.458 10.615 901 2HG2 THR 116 HG23 THR 116 124.965 -2.860 10.721 902 3HG2 THR 116 HG22 THR 116 123.216 -3.036 10.877 903 H ARG 117 HN ARG 117 120.989 -5.711 9.131 904 HA ARG 117 HA ARG 117 118.898 -3.683 8.947 905 1HB ARG 117 HB2 ARG 117 119.004 -6.547 9.884 906 2HB ARG 117 HB1 ARG 117 117.566 -5.561 10.155 907 1HG ARG 117 HG2 ARG 117 117.332 -5.143 7.777 908 2HG ARG 117 HG1 ARG 117 118.863 -5.955 7.445 909 1HD ARG 117 HD2 ARG 117 117.986 -8.084 8.040 910 2HD ARG 117 HD1 ARG 117 116.572 -7.369 8.814 911 HE ARG 117 HE ARG 117 116.866 -7.919 5.978 912 1HH1 ARG 117 HH11 ARG 117 115.365 -5.803 8.324 913 2HH1 ARG 117 HH12 ARG 117 114.067 -5.382 7.263 914 1HH2 ARG 117 HH21 ARG 117 115.170 -7.346 4.638 915 2HH2 ARG 117 HH22 ARG 117 113.955 -6.244 5.198 916 H LEU 118 HN LEU 118 118.533 -2.186 10.492 917 HA LEU 118 HA LEU 118 119.716 -2.524 13.175 918 1HB LEU 118 HB2 LEU 118 118.609 -0.272 11.576 919 2HB LEU 118 HB1 LEU 118 118.430 -0.155 13.328 920 HG LEU 118 HG LEU 118 120.950 -0.819 13.394 921 1HD1 LEU 118 HD12 LEU 118 120.493 -0.086 10.510 922 2HD1 LEU 118 HD11 LEU 118 122.051 0.234 11.272 923 3HD1 LEU 118 HD13 LEU 118 121.438 -1.417 11.177 924 1HD2 LEU 118 HD23 LEU 118 119.810 1.842 12.539 925 2HD2 LEU 118 HD22 LEU 118 120.367 1.348 14.138 926 3HD2 LEU 118 HD21 LEU 118 121.535 1.652 12.851 927 H ALA 119 HN ALA 119 118.011 -1.347 14.882 928 HA ALA 119 HA ALA 119 115.501 -2.965 14.671 929 1HB ALA 119 HB2 ALA 119 117.102 -3.755 16.432 930 2HB ALA 119 HB1 ALA 119 116.966 -2.176 17.206 931 3HB ALA 119 HB3 ALA 119 115.554 -3.226 17.090 932 H GLY 120 HN GLY 120 116.903 -0.061 16.226 933 1HA GLY 120 HA2 GLY 120 114.326 1.127 16.784 934 2HA GLY 120 HA1 GLY 120 115.879 1.962 16.852 935 H SER 121 HN SER 121 113.303 2.854 15.657 936 HA SER 121 HA SER 121 113.756 2.826 12.755 937 1HB SER 121 HB2 SER 121 111.733 4.199 12.651 938 2HB SER 121 HB1 SER 121 111.460 2.826 13.718 939 HG SER 121 HG SER 121 110.785 4.509 14.898 940 H PHE 122 HN PHE 122 113.990 4.878 11.538 941 HA PHE 122 HA PHE 122 115.076 7.176 13.050 942 1HB PHE 122 HB2 PHE 122 116.678 5.705 10.932 943 2HB PHE 122 HB1 PHE 122 117.149 7.220 11.703 944 HD1 PHE 122 HD2 PHE 122 117.472 7.262 14.228 945 HD2 PHE 122 HD1 PHE 122 117.090 3.620 11.983 946 HE1 PHE 122 HE2 PHE 122 118.466 5.995 16.114 947 HE2 PHE 122 HE1 PHE 122 118.084 2.353 13.869 948 HZ PHE 122 HZ PHE 122 118.773 3.540 15.934 949 H GLU 123 HN GLU 123 115.309 9.092 11.647 950 HA GLU 123 HA GLU 123 113.460 8.943 9.306 951 1HB GLU 123 HB2 GLU 123 112.897 10.481 11.250 952 2HB GLU 123 HB1 GLU 123 114.320 11.427 10.811 953 1HG GLU 123 HG2 GLU 123 113.406 12.090 8.756 954 2HG GLU 123 HG1 GLU 123 112.257 10.752 8.727 955 H GLY 124 HN GLY 124 114.069 10.061 7.361 956 1HA GLY 124 HA2 GLY 124 116.490 11.491 6.967 957 2HA GLY 124 HA1 GLY 124 116.808 9.793 6.609 958 H ASP 125 HN ASP 125 117.170 11.053 4.425 959 HA ASP 125 HA ASP 125 114.578 11.061 2.927 960 1HB ASP 125 HB2 ASP 125 115.961 13.259 3.168 961 2HB ASP 125 HB1 ASP 125 117.046 12.512 1.995 962 H THR 126 HN THR 126 118.017 10.197 2.836 963 HA THR 126 HA THR 126 117.904 8.929 0.239 964 HB THR 126 HB THR 126 119.863 8.309 2.463 965 HG1 THR 126 HG1 THR 126 120.571 10.255 2.250 966 1HG2 THR 126 HG23 THR 126 119.658 7.085 0.110 967 2HG2 THR 126 HG22 THR 126 120.536 8.511 -0.442 968 3HG2 THR 126 HG21 THR 126 121.233 7.471 0.801 969 H LYS 127 HN LYS 127 117.159 6.922 -0.260 970 HA LYS 127 HA LYS 127 116.749 4.975 1.972 971 1HB LYS 127 HB2 LYS 127 114.822 5.991 -0.064 972 2HB LYS 127 HB1 LYS 127 114.743 4.274 0.330 973 1HG LYS 127 HG2 LYS 127 113.366 5.060 1.995 974 2HG LYS 127 HG1 LYS 127 114.910 5.255 2.824 975 1HD LYS 127 HD2 LYS 127 114.934 7.552 2.543 976 2HD LYS 127 HD1 LYS 127 113.957 7.486 1.075 977 1HE LYS 127 HE2 LYS 127 111.968 6.921 2.396 978 2HE LYS 127 HE1 LYS 127 112.932 6.922 3.873 979 1HZ LYS 127 HZ3 LYS 127 113.462 9.255 3.464 980 2HZ LYS 127 HZ2 LYS 127 112.485 9.245 2.075 981 3HZ LYS 127 HZ1 LYS 127 111.789 9.017 3.608 982 H MET 128 HN MET 128 116.600 2.696 1.150 983 HA MET 128 HA MET 128 118.697 2.221 -0.840 984 1HB MET 128 HB2 MET 128 118.379 0.849 1.269 985 2HB MET 128 HB1 MET 128 116.928 0.176 0.526 986 1HG MET 128 HG2 MET 128 118.737 -1.348 0.062 987 2HG MET 128 HG1 MET 128 118.361 -0.507 -1.442 988 1HE MET 128 HE1 MET 128 120.112 -0.913 -2.617 989 2HE MET 128 HE3 MET 128 121.735 -0.214 -2.513 990 3HE MET 128 HE2 MET 128 121.357 -1.704 -1.654 991 H ILE 129 HN ILE 129 118.397 1.325 -2.892 992 HA ILE 129 HA ILE 129 115.835 1.788 -4.162 993 HB ILE 129 HB ILE 129 116.943 0.750 -6.156 994 1HG1 ILE 129 HG12 ILE 129 119.452 0.593 -4.497 995 2HG1 ILE 129 HG11 ILE 129 118.344 -0.779 -4.552 996 1HG2 ILE 129 HG21 ILE 129 117.257 3.189 -5.317 997 2HG2 ILE 129 HG23 ILE 129 118.869 2.658 -4.839 998 3HG2 ILE 129 HG22 ILE 129 118.380 2.578 -6.532 999 1HD1 ILE 129 HD11 ILE 129 118.468 -0.700 -7.058 1000 2HD1 ILE 129 HD13 ILE 129 119.706 0.547 -6.914 1001 3HD1 ILE 129 HD12 ILE 129 120.010 -1.075 -6.292 1002 HA PRO 130 HA PRO 130 114.005 -2.249 -3.791 1003 1HB PRO 130 HB2 PRO 130 112.761 -2.406 -6.296 1004 2HB PRO 130 HB1 PRO 130 112.102 -1.619 -4.857 1005 1HG PRO 130 HG2 PRO 130 112.989 -0.398 -7.287 1006 2HG PRO 130 HG1 PRO 130 112.309 0.383 -5.852 1007 1HD PRO 130 HD2 PRO 130 115.099 0.226 -6.716 1008 2HD PRO 130 HD1 PRO 130 114.363 1.271 -5.488 1009 H LEU 131 HN LEU 131 115.656 -3.794 -3.812 1010 HA LEU 131 HA LEU 131 116.837 -4.598 -6.410 1011 1HB LEU 131 HB2 LEU 131 117.449 -5.343 -3.539 1012 2HB LEU 131 HB1 LEU 131 118.239 -6.106 -4.919 1013 HG LEU 131 HG LEU 131 118.173 -3.108 -4.699 1014 1HD1 LEU 131 HD13 LEU 131 120.156 -4.979 -3.369 1015 2HD1 LEU 131 HD12 LEU 131 120.372 -3.237 -3.534 1016 3HD1 LEU 131 HD11 LEU 131 119.055 -3.873 -2.548 1017 1HD2 LEU 131 HD21 LEU 131 119.828 -5.215 -6.079 1018 2HD2 LEU 131 HD23 LEU 131 119.010 -3.819 -6.781 1019 3HD2 LEU 131 HD22 LEU 131 120.477 -3.594 -5.829 1020 H ASN 132 HN ASN 132 117.123 -7.121 -6.573 1021 HA ASN 132 HA ASN 132 114.405 -8.277 -6.338 1022 1HB ASN 132 HB2 ASN 132 116.046 -8.335 -8.430 1023 2HB ASN 132 HB1 ASN 132 116.691 -9.747 -7.593 1024 1HD2 ASN 132 HD22 ASN 132 113.114 -10.000 -9.473 1025 2HD2 ASN 132 HD21 ASN 132 114.042 -8.580 -9.515 1026 H TRP 133 HN TRP 133 113.932 -9.641 -4.693 1027 HA TRP 133 HA TRP 133 116.197 -10.863 -3.179 1028 1HB TRP 133 HB2 TRP 133 113.327 -10.341 -2.350 1029 2HB TRP 133 HB1 TRP 133 114.545 -11.117 -1.336 1030 HD1 TRP 133 HD1 TRP 133 113.446 -7.756 -2.665 1031 HE1 TRP 133 HE1 TRP 133 114.862 -5.899 -1.571 1032 HE3 TRP 133 HE3 TRP 133 116.967 -10.606 -0.309 1033 HZ2 TRP 133 HZ2 TRP 133 117.182 -5.656 0.084 1034 HZ3 TRP 133 HZ3 TRP 133 118.768 -9.538 1.018 1035 HH2 TRP 133 HH2 TRP 133 118.880 -7.069 1.217 1036 H ASP 134 HN ASP 134 113.348 -11.580 -5.072 1037 HA ASP 134 HA ASP 134 112.840 -14.248 -4.236 1038 1HB ASP 134 HB2 ASP 134 111.453 -12.828 -5.836 1039 2HB ASP 134 HB1 ASP 134 112.620 -13.258 -7.088 1040 H ASP 135 HN ASP 135 115.367 -12.913 -6.268 1041 HA ASP 135 HA ASP 135 116.279 -15.645 -7.010 1042 1HB ASP 135 HB2 ASP 135 116.742 -12.893 -8.064 1043 2HB ASP 135 HB1 ASP 135 118.063 -14.051 -8.230 1044 H PHE 136 HN PHE 136 116.480 -14.538 -4.255 1045 HA PHE 136 HA PHE 136 119.377 -15.034 -3.886 1046 1HB PHE 136 HB2 PHE 136 117.935 -12.545 -2.934 1047 2HB PHE 136 HB1 PHE 136 119.489 -13.069 -2.287 1048 HD1 PHE 136 HD2 PHE 136 117.725 -11.856 -5.304 1049 HD2 PHE 136 HD1 PHE 136 121.522 -12.886 -3.580 1050 HE1 PHE 136 HE2 PHE 136 118.884 -10.789 -7.219 1051 HE2 PHE 136 HE1 PHE 136 122.681 -11.819 -5.495 1052 HZ PHE 136 HZ PHE 136 121.362 -10.771 -7.315 1053 H THR 137 HN THR 137 119.859 -15.393 -1.521 1054 HA THR 137 HA THR 137 117.518 -16.005 0.174 1055 HB THR 137 HB THR 137 119.564 -18.170 -0.328 1056 HG1 THR 137 HG1 THR 137 118.339 -18.933 -1.925 1057 1HG2 THR 137 HG23 THR 137 116.871 -17.948 0.998 1058 2HG2 THR 137 HG22 THR 137 117.459 -19.508 0.424 1059 3HG2 THR 137 HG21 THR 137 118.370 -18.617 1.643 1060 H LYS 138 HN LYS 138 118.153 -16.389 2.418 1061 HA LYS 138 HA LYS 138 120.527 -14.852 3.163 1062 1HB LYS 138 HB2 LYS 138 118.315 -14.822 4.418 1063 2HB LYS 138 HB1 LYS 138 118.711 -16.443 4.993 1064 1HG LYS 138 HG2 LYS 138 120.502 -15.697 6.281 1065 2HG LYS 138 HG1 LYS 138 120.736 -14.249 5.302 1066 1HD LYS 138 HD2 LYS 138 119.761 -13.471 7.328 1067 2HD LYS 138 HD1 LYS 138 118.437 -13.493 6.163 1068 1HE LYS 138 HE2 LYS 138 117.448 -14.585 7.960 1069 2HE LYS 138 HE1 LYS 138 118.099 -15.955 7.061 1070 1HZ LYS 138 HZ1 LYS 138 120.084 -15.855 8.463 1071 2HZ LYS 138 HZ3 LYS 138 119.396 -14.587 9.356 1072 3HZ LYS 138 HZ2 LYS 138 118.679 -16.128 9.380 1073 H VAL 139 HN VAL 139 122.331 -15.690 4.341 1074 HA VAL 139 HA VAL 139 122.624 -18.665 4.259 1075 HB VAL 139 HB VAL 139 124.808 -16.648 3.660 1076 1HG1 VAL 139 HG13 VAL 139 125.491 -18.855 4.646 1077 2HG1 VAL 139 HG12 VAL 139 124.716 -19.656 3.279 1078 3HG1 VAL 139 HG11 VAL 139 126.102 -18.599 3.011 1079 1HG2 VAL 139 HG22 VAL 139 123.084 -16.680 1.886 1080 2HG2 VAL 139 HG21 VAL 139 124.585 -17.416 1.322 1081 3HG2 VAL 139 HG23 VAL 139 123.222 -18.435 1.785 1082 H SER 140 HN SER 140 124.450 -15.836 5.489 1083 HA SER 140 HA SER 140 124.532 -17.208 8.148 1084 1HB SER 140 HB2 SER 140 126.746 -17.051 6.968 1085 2HB SER 140 HB1 SER 140 126.592 -15.297 7.007 1086 HG SER 140 HG SER 140 127.702 -15.807 8.820 1087 H SER 141 HN SER 141 124.325 -15.841 10.003 1088 HA SER 141 HA SER 141 123.665 -12.989 9.546 1089 1HB SER 141 HB2 SER 141 121.550 -14.453 9.372 1090 2HB SER 141 HB1 SER 141 121.757 -14.745 11.097 1091 HG SER 141 HG SER 141 121.097 -12.403 9.722 1092 H ARG 142 HN ARG 142 124.134 -11.724 11.345 1093 HA ARG 142 HA ARG 142 124.879 -13.136 13.867 1094 1HB ARG 142 HB2 ARG 142 126.843 -12.408 12.243 1095 2HB ARG 142 HB1 ARG 142 126.532 -10.814 12.934 1096 1HG ARG 142 HG2 ARG 142 127.133 -11.478 15.086 1097 2HG ARG 142 HG1 ARG 142 126.795 -13.179 14.763 1098 1HD ARG 142 HD2 ARG 142 128.793 -13.459 13.523 1099 2HD ARG 142 HD1 ARG 142 129.017 -11.719 13.335 1100 HE ARG 142 HE ARG 142 130.060 -11.684 15.444 1101 1HH1 ARG 142 HH11 ARG 142 128.198 -14.623 15.079 1102 2HH1 ARG 142 HH12 ARG 142 128.780 -15.294 16.562 1103 1HH2 ARG 142 HH21 ARG 142 130.785 -12.590 17.356 1104 2HH2 ARG 142 HH22 ARG 142 130.229 -14.158 17.839 1105 H THR 143 HN THR 143 123.443 -12.317 15.312 1106 HA THR 143 HA THR 143 122.398 -9.586 15.031 1107 HB THR 143 HB THR 143 121.941 -11.515 17.319 1108 HG1 THR 143 HG1 THR 143 120.936 -12.684 15.917 1109 1HG2 THR 143 HG23 THR 143 120.442 -9.138 16.197 1110 2HG2 THR 143 HG22 THR 143 119.740 -10.261 17.364 1111 3HG2 THR 143 HG21 THR 143 121.152 -9.299 17.804 1112 H VAL 144 HN VAL 144 123.023 -7.836 16.255 1113 HA VAL 144 HA VAL 144 125.005 -8.313 18.440 1114 HB VAL 144 HB VAL 144 125.132 -6.061 16.414 1115 1HG1 VAL 144 HG11 VAL 144 126.985 -6.980 18.632 1116 2HG1 VAL 144 HG13 VAL 144 127.412 -5.770 17.424 1117 3HG1 VAL 144 HG12 VAL 144 126.100 -5.457 18.560 1118 1HG2 VAL 144 HG23 VAL 144 125.633 -8.261 15.388 1119 2HG2 VAL 144 HG22 VAL 144 127.081 -7.261 15.499 1120 3HG2 VAL 144 HG21 VAL 144 126.824 -8.572 16.651 1121 H GLU 145 HN GLU 145 124.081 -7.588 20.287 1122 HA GLU 145 HA GLU 145 122.019 -5.467 20.164 1123 1HB GLU 145 HB2 GLU 145 122.087 -7.722 21.627 1124 2HB GLU 145 HB1 GLU 145 122.886 -6.636 22.763 1125 1HG GLU 145 HG2 GLU 145 120.349 -5.770 21.404 1126 2HG GLU 145 HG1 GLU 145 120.273 -6.831 22.811 1127 H ASP 146 HN ASP 146 122.679 -3.392 20.344 1128 HA ASP 146 HA ASP 146 125.320 -2.736 21.436 1129 1HB ASP 146 HB2 ASP 146 123.819 -1.590 19.498 1130 2HB ASP 146 HB1 ASP 146 123.355 -0.577 20.865 1131 H THR 147 HN THR 147 125.012 -0.437 22.828 1132 HA THR 147 HA THR 147 124.183 -1.305 25.422 1133 HB THR 147 HB THR 147 124.448 1.102 26.050 1134 HG1 THR 147 HG1 THR 147 125.112 2.502 24.364 1135 1HG2 THR 147 HG21 THR 147 126.565 -0.170 24.303 1136 2HG2 THR 147 HG23 THR 147 126.854 1.269 25.280 1137 3HG2 THR 147 HG22 THR 147 126.431 -0.255 26.060 1138 H ASN 148 HN ASN 148 122.542 0.553 22.899 1139 HA ASN 148 HA ASN 148 120.097 0.630 24.617 1140 1HB ASN 148 HB2 ASN 148 120.869 2.280 22.190 1141 2HB ASN 148 HB1 ASN 148 119.312 2.388 23.013 1142 1HD2 ASN 148 HD22 ASN 148 120.811 4.923 24.986 1143 2HD2 ASN 148 HD21 ASN 148 119.646 4.563 23.805 1144 HA PRO 149 HA PRO 149 118.016 -2.109 21.792 1145 1HB PRO 149 HB2 PRO 149 115.431 -1.055 22.008 1146 2HB PRO 149 HB1 PRO 149 116.166 -2.230 23.107 1147 1HG PRO 149 HG2 PRO 149 115.469 0.494 23.642 1148 2HG PRO 149 HG1 PRO 149 116.177 -0.694 24.744 1149 1HD PRO 149 HD2 PRO 149 117.476 1.521 23.347 1150 2HD PRO 149 HD1 PRO 149 118.079 0.537 24.691 1151 H ALA 150 HN ALA 150 117.559 1.350 21.333 1152 HA ALA 150 HA ALA 150 116.401 1.071 18.662 1153 1HB ALA 150 HB1 ALA 150 115.923 3.022 20.151 1154 2HB ALA 150 HB3 ALA 150 117.608 3.518 19.987 1155 3HB ALA 150 HB2 ALA 150 116.551 3.503 18.574 1156 H LEU 151 HN LEU 151 119.610 1.310 20.025 1157 HA LEU 151 HA LEU 151 120.788 1.868 17.358 1158 1HB LEU 151 HB2 LEU 151 121.801 1.924 20.181 1159 2HB LEU 151 HB1 LEU 151 122.954 1.723 18.862 1160 HG LEU 151 HG LEU 151 120.878 3.908 18.784 1161 1HD1 LEU 151 HD12 LEU 151 122.311 3.963 20.918 1162 2HD1 LEU 151 HD11 LEU 151 123.683 4.265 19.851 1163 3HD1 LEU 151 HD13 LEU 151 122.342 5.409 19.909 1164 1HD2 LEU 151 HD23 LEU 151 122.171 3.281 16.732 1165 2HD2 LEU 151 HD22 LEU 151 122.486 4.934 17.261 1166 3HD2 LEU 151 HD21 LEU 151 123.661 3.661 17.596 1167 H THR 152 HN THR 152 119.465 -0.719 18.011 1168 HA THR 152 HA THR 152 121.655 -2.657 18.276 1169 HB THR 152 HB THR 152 118.769 -3.183 17.509 1170 HG1 THR 152 HG1 THR 152 119.983 -3.111 20.071 1171 1HG2 THR 152 HG21 THR 152 121.090 -4.839 18.453 1172 2HG2 THR 152 HG23 THR 152 119.442 -5.350 18.818 1173 3HG2 THR 152 HG22 THR 152 119.956 -5.160 17.141 1174 H HIS 153 HN HIS 153 122.232 -4.168 16.584 1175 HA HIS 153 HA HIS 153 121.289 -3.557 13.845 1176 1HB HIS 153 HB2 HIS 153 123.656 -3.383 13.029 1177 2HB HIS 153 HB1 HIS 153 123.178 -2.046 14.074 1178 HD1 HIS 153 HD1 HIS 153 123.765 -2.602 16.773 1179 HD2 HIS 153 HD2 HIS 153 126.043 -4.496 13.840 1180 HE1 HIS 153 HE1 HIS 153 125.889 -3.384 17.910 1181 H THR 154 HN THR 154 121.606 -5.307 12.405 1182 HA THR 154 HA THR 154 122.849 -7.763 13.561 1183 HB THR 154 HB THR 154 120.228 -7.709 12.036 1184 HG1 THR 154 HG1 THR 154 119.352 -8.227 14.092 1185 1HG2 THR 154 HG23 THR 154 122.044 -9.818 13.072 1186 2HG2 THR 154 HG22 THR 154 120.318 -10.082 13.318 1187 3HG2 THR 154 HG21 THR 154 120.952 -9.852 11.688 1188 H TYR 155 HN TYR 155 124.454 -8.347 12.195 1189 HA TYR 155 HA TYR 155 124.605 -7.358 9.470 1190 1HB TYR 155 HB2 TYR 155 126.235 -9.461 10.926 1191 2HB TYR 155 HB1 TYR 155 126.632 -8.805 9.337 1192 HD1 TYR 155 HD2 TYR 155 126.631 -6.135 9.224 1193 HD2 TYR 155 HD1 TYR 155 127.195 -8.455 12.795 1194 HE1 TYR 155 HE2 TYR 155 127.751 -4.203 10.303 1195 HE2 TYR 155 HE1 TYR 155 128.315 -6.523 13.874 1196 HH TYR 155 HH TYR 155 128.124 -3.796 13.407 1197 H GLU 156 HN GLU 156 123.824 -8.317 7.655 1198 HA GLU 156 HA GLU 156 122.978 -11.183 7.832 1199 1HB GLU 156 HB2 GLU 156 121.567 -8.852 6.503 1200 2HB GLU 156 HB1 GLU 156 121.137 -10.539 6.219 1201 1HG GLU 156 HG2 GLU 156 121.120 -10.571 8.902 1202 2HG GLU 156 HG1 GLU 156 120.739 -8.867 8.655 1203 H VAL 157 HN VAL 157 123.993 -12.424 6.338 1204 HA VAL 157 HA VAL 157 125.264 -11.059 4.006 1205 HB VAL 157 HB VAL 157 125.882 -13.794 5.161 1206 1HG1 VAL 157 HG12 VAL 157 126.481 -13.466 2.776 1207 2HG1 VAL 157 HG11 VAL 157 127.393 -12.021 3.215 1208 3HG1 VAL 157 HG13 VAL 157 127.915 -13.604 3.792 1209 1HG2 VAL 157 HG23 VAL 157 127.042 -11.053 5.676 1210 2HG2 VAL 157 HG22 VAL 157 126.529 -12.265 6.850 1211 3HG2 VAL 157 HG21 VAL 157 128.003 -12.513 5.915 1212 H TRP 158 HN TRP 158 123.740 -11.143 2.383 1213 HA TRP 158 HA TRP 158 122.215 -13.647 1.949 1214 1HB TRP 158 HB2 TRP 158 122.065 -10.882 0.732 1215 2HB TRP 158 HB1 TRP 158 121.133 -12.241 0.108 1216 HD1 TRP 158 HD1 TRP 158 121.692 -10.375 3.447 1217 HE1 TRP 158 HE1 TRP 158 119.497 -10.469 4.796 1218 HE3 TRP 158 HE3 TRP 158 118.870 -13.284 0.340 1219 HZ2 TRP 158 HZ2 TRP 158 116.889 -11.627 4.585 1220 HZ3 TRP 158 HZ3 TRP 158 116.536 -13.866 0.937 1221 HH2 TRP 158 HH2 TRP 158 115.543 -13.041 3.054 1222 H GLN 159 HN GLN 159 122.332 -14.796 -0.057 1223 HA GLN 159 HA GLN 159 124.589 -14.062 -1.861 1224 1HB GLN 159 HB2 GLN 159 124.122 -16.765 -0.570 1225 2HB GLN 159 HB1 GLN 159 125.220 -16.504 -1.926 1226 1HG GLN 159 HG2 GLN 159 126.205 -14.609 -0.383 1227 2HG GLN 159 HG1 GLN 159 125.453 -15.546 0.908 1228 1HE2 GLN 159 HE22 GLN 159 128.347 -17.561 0.973 1229 2HE2 GLN 159 HE21 GLN 159 127.289 -16.554 1.837 1230 H LYS 160 HN LYS 160 124.319 -14.834 -4.020 1231 HA LYS 160 HA LYS 160 121.532 -15.199 -4.815 1232 1HB LYS 160 HB2 LYS 160 123.457 -13.941 -6.073 1233 2HB LYS 160 HB1 LYS 160 123.868 -15.547 -6.678 1234 1HG LYS 160 HG2 LYS 160 121.706 -15.822 -7.677 1235 2HG LYS 160 HG1 LYS 160 121.074 -14.397 -6.852 1236 1HD LYS 160 HD2 LYS 160 121.552 -13.750 -9.124 1237 2HD LYS 160 HD1 LYS 160 122.793 -13.025 -8.102 1238 1HE LYS 160 HE2 LYS 160 124.358 -14.807 -8.662 1239 2HE LYS 160 HE1 LYS 160 123.114 -15.649 -9.588 1240 1HZ LYS 160 HZ3 LYS 160 123.917 -12.875 -10.221 1241 2HZ LYS 160 HZ2 LYS 160 124.740 -14.212 -10.870 1242 3HZ LYS 160 HZ1 LYS 160 123.090 -13.984 -11.202 1243 H LYS 161 HN LYS 161 120.619 -17.081 -5.692 1244 HA LYS 161 HA LYS 161 121.775 -19.597 -4.812 1245 1HB LYS 161 HB2 LYS 161 119.326 -18.876 -6.433 1246 2HB LYS 161 HB1 LYS 161 119.781 -20.550 -6.116 1247 1HG LYS 161 HG2 LYS 161 119.522 -20.296 -3.772 1248 2HG LYS 161 HG1 LYS 161 119.515 -18.535 -3.883 1249 1HD LYS 161 HD2 LYS 161 117.397 -20.177 -5.262 1250 2HD LYS 161 HD1 LYS 161 117.238 -19.738 -3.561 1251 1HE LYS 161 HE2 LYS 161 117.012 -17.481 -4.019 1252 2HE LYS 161 HE1 LYS 161 117.950 -17.584 -5.510 1253 1HZ LYS 161 HZ2 LYS 161 115.288 -18.848 -5.207 1254 2HZ LYS 161 HZ1 LYS 161 115.485 -17.258 -5.773 1255 3HZ LYS 161 HZ3 LYS 161 116.151 -18.555 -6.640 1256 H ALA 162 HN ALA 162 121.264 -18.033 -7.972 1257 HA ALA 162 HA ALA 162 123.589 -19.296 -9.119 1258 1HB ALA 162 HB3 ALA 162 120.865 -20.433 -9.769 1259 2HB ALA 162 HB2 ALA 162 122.228 -20.584 -10.877 1260 3HB ALA 162 HB1 ALA 162 122.316 -21.302 -9.269 1261 1HN2 MTX 170 1HN2 MTX 170 126.608 -1.340 7.476 1262 2HN2 MTX 170 2HN2 MTX 170 126.738 -1.812 5.850 1263 1HN4 MTX 170 1HN4 MTX 170 128.435 1.140 2.577 1264 2HN4 MTX 170 2HN4 MTX 170 128.928 2.704 3.016 1265 H7 MTX 170 H7 MTX 170 128.848 5.193 8.359 1266 1H9 MTX 170 H91 MTX 170 128.858 6.725 5.486 1267 2H9 MTX 170 H92 MTX 170 130.433 5.984 5.170 1268 1HM MTX 170 HM1 MTX 170 129.688 8.766 7.526 1269 2HM MTX 170 HM2 MTX 170 129.511 7.574 8.848 1270 3HM MTX 170 HM3 MTX 170 128.334 7.597 7.501 1271 H12 MTX 170 H13 MTX 170 134.221 8.221 8.855 1272 H13 MTX 170 H12 MTX 170 131.847 8.609 8.190 1273 H15 MTX 170 H16 MTX 170 131.596 4.525 6.746 1274 H16 MTX 170 H15 MTX 170 133.971 4.149 7.417 1275 HN MTX 170 HN MTX 170 135.107 4.224 9.565 1276 HA MTX 170 HA MTX 170 137.771 5.464 9.767 1277 1HB MTX 170 HB1 MTX 170 138.112 3.357 11.349 1278 2HB MTX 170 HB2 MTX 170 136.366 3.203 11.242 1279 1HG MTX 170 HG1 MTX 170 136.145 5.615 11.991 1280 2HG MTX 170 HG2 MTX 170 137.896 5.704 12.155 1281 HN1 MTX 170 H1N MTX 170 127.261 0.779 8.149 No H/Q in entry = 1281 Start of MODEL 12 1 1H THR 1 HT2 THR 1 132.294 -8.683 -6.897 2 2H THR 1 HT1 THR 1 130.916 -8.879 -7.871 3 3H THR 1 HT3 THR 1 132.198 -7.907 -8.406 4 HA THR 1 HA THR 1 131.788 -6.290 -6.711 5 HB THR 1 HB THR 1 129.039 -6.937 -7.721 6 HG1 THR 1 HG1 THR 1 131.286 -6.202 -9.283 7 1HG2 THR 1 HG23 THR 1 130.762 -4.504 -7.320 8 2HG2 THR 1 HG22 THR 1 129.369 -4.443 -8.400 9 3HG2 THR 1 HG21 THR 1 129.146 -4.831 -6.694 10 H ALA 2 HN ALA 2 130.731 -5.703 -4.764 11 HA ALA 2 HA ALA 2 128.995 -7.748 -3.482 12 1HB ALA 2 HB3 ALA 2 131.454 -8.064 -2.829 13 2HB ALA 2 HB2 ALA 2 131.326 -6.510 -2.005 14 3HB ALA 2 HB1 ALA 2 130.315 -7.863 -1.498 15 H PHE 3 HN PHE 3 127.197 -6.623 -2.942 16 HA PHE 3 HA PHE 3 127.226 -3.732 -2.582 17 1HB PHE 3 HB2 PHE 3 125.179 -5.897 -2.593 18 2HB PHE 3 HB1 PHE 3 124.781 -4.436 -1.691 19 HD1 PHE 3 HD1 PHE 3 126.688 -5.019 -4.878 20 HD2 PHE 3 HD2 PHE 3 123.368 -3.087 -2.954 21 HE1 PHE 3 HE1 PHE 3 126.141 -3.849 -6.995 22 HE2 PHE 3 HE2 PHE 3 122.823 -1.916 -5.070 23 HZ PHE 3 HZ PHE 3 124.209 -2.297 -7.091 24 H LEU 4 HN LEU 4 127.136 -2.598 -0.648 25 HA LEU 4 HA LEU 4 126.819 -4.065 1.900 26 1HB LEU 4 HB2 LEU 4 129.257 -4.181 1.348 27 2HB LEU 4 HB1 LEU 4 129.300 -2.420 1.302 28 HG LEU 4 HG LEU 4 128.265 -2.576 3.696 29 1HD1 LEU 4 HD11 LEU 4 129.180 -5.376 3.126 30 2HD1 LEU 4 HD13 LEU 4 129.360 -4.735 4.760 31 3HD1 LEU 4 HD12 LEU 4 127.762 -4.825 4.018 32 1HD2 LEU 4 HD23 LEU 4 130.562 -1.776 3.129 33 2HD2 LEU 4 HD22 LEU 4 130.515 -2.649 4.661 34 3HD2 LEU 4 HD21 LEU 4 131.135 -3.442 3.213 35 H TRP 5 HN TRP 5 125.281 -2.832 2.882 36 HA TRP 5 HA TRP 5 125.793 0.036 3.257 37 1HB TRP 5 HB2 TRP 5 123.704 0.805 2.306 38 2HB TRP 5 HB1 TRP 5 124.549 -0.128 1.077 39 HD1 TRP 5 HD1 TRP 5 121.291 0.176 2.720 40 HE1 TRP 5 HE1 TRP 5 119.790 -1.852 2.201 41 HE3 TRP 5 HE3 TRP 5 124.760 -3.016 0.740 42 HZ2 TRP 5 HZ2 TRP 5 120.023 -4.476 1.098 43 HZ3 TRP 5 HZ3 TRP 5 124.088 -5.273 -0.030 44 HH2 TRP 5 HH2 TRP 5 121.727 -6.005 0.145 45 H ALA 6 HN ALA 6 124.342 0.970 4.902 46 HA ALA 6 HA ALA 6 123.233 -1.146 6.703 47 1HB ALA 6 HB1 ALA 6 124.610 1.477 7.247 48 2HB ALA 6 HB3 ALA 6 123.542 0.762 8.455 49 3HB ALA 6 HB2 ALA 6 124.970 -0.118 7.909 50 H GLN 7 HN GLN 7 121.082 -1.024 7.188 51 HA GLN 7 HA GLN 7 119.656 1.550 6.761 52 1HB GLN 7 HB2 GLN 7 117.832 0.341 5.560 53 2HB GLN 7 HB1 GLN 7 119.354 0.329 4.669 54 1HG GLN 7 HG2 GLN 7 118.949 -1.914 4.527 55 2HG GLN 7 HG1 GLN 7 119.645 -1.935 6.147 56 1HE2 GLN 7 HE22 GLN 7 116.624 -2.891 7.685 57 2HE2 GLN 7 HE21 GLN 7 118.291 -2.614 7.848 58 H ASP 8 HN ASP 8 117.395 1.418 7.703 59 HA ASP 8 HA ASP 8 117.426 -0.340 10.123 60 1HB ASP 8 HB2 ASP 8 115.918 1.416 11.119 61 2HB ASP 8 HB1 ASP 8 117.539 1.999 10.744 62 H ARG 9 HN ARG 9 114.859 -0.259 10.935 63 HA ARG 9 HA ARG 9 113.504 -2.060 9.197 64 1HB ARG 9 HB2 ARG 9 111.525 -1.643 10.657 65 2HB ARG 9 HB1 ARG 9 112.990 -1.967 11.581 66 1HG ARG 9 HG2 ARG 9 113.318 0.406 11.997 67 2HG ARG 9 HG1 ARG 9 111.967 0.815 10.939 68 1HD ARG 9 HD2 ARG 9 111.280 -1.100 13.073 69 2HD ARG 9 HD1 ARG 9 111.771 0.488 13.660 70 HE ARG 9 HE ARG 9 109.849 0.655 11.484 71 1HH1 ARG 9 HH11 ARG 9 110.233 0.218 14.933 72 2HH1 ARG 9 HH12 ARG 9 108.647 0.813 15.285 73 1HH2 ARG 9 HH21 ARG 9 107.807 1.418 11.987 74 2HH2 ARG 9 HH22 ARG 9 107.288 1.485 13.637 75 H ASP 10 HN ASP 10 113.412 1.451 9.440 76 HA ASP 10 HA ASP 10 111.063 1.789 7.770 77 1HB ASP 10 HB2 ASP 10 113.130 3.537 8.987 78 2HB ASP 10 HB1 ASP 10 112.393 4.150 7.507 79 H GLY 11 HN GLY 11 114.569 1.785 7.189 80 1HA GLY 11 HA2 GLY 11 115.372 0.828 5.048 81 2HA GLY 11 HA1 GLY 11 113.977 1.573 4.265 82 H LEU 12 HN LEU 12 115.986 3.150 6.701 83 HA LEU 12 HA LEU 12 116.647 5.243 4.692 84 1HB LEU 12 HB2 LEU 12 115.597 5.703 7.036 85 2HB LEU 12 HB1 LEU 12 117.232 5.432 7.641 86 HG LEU 12 HG LEU 12 117.999 7.128 5.877 87 1HD1 LEU 12 HD13 LEU 12 115.003 7.580 5.844 88 2HD1 LEU 12 HD12 LEU 12 116.170 8.764 5.257 89 3HD1 LEU 12 HD11 LEU 12 116.039 7.191 4.471 90 1HD2 LEU 12 HD21 LEU 12 117.506 7.455 8.445 91 2HD2 LEU 12 HD23 LEU 12 117.780 8.867 7.424 92 3HD2 LEU 12 HD22 LEU 12 116.136 8.403 7.862 93 H ILE 13 HN ILE 13 118.736 5.566 4.028 94 HA ILE 13 HA ILE 13 120.830 3.822 5.256 95 HB ILE 13 HB ILE 13 122.019 4.106 3.066 96 1HG1 ILE 13 HG12 ILE 13 119.399 5.337 2.160 97 2HG1 ILE 13 HG11 ILE 13 120.849 6.278 2.513 98 1HG2 ILE 13 HG22 ILE 13 119.187 3.024 2.928 99 2HG2 ILE 13 HG21 ILE 13 120.476 2.642 1.787 100 3HG2 ILE 13 HG23 ILE 13 120.608 2.134 3.471 101 1HD1 ILE 13 HD11 ILE 13 122.062 4.761 0.845 102 2HD1 ILE 13 HD13 ILE 13 120.466 4.197 0.353 103 3HD1 ILE 13 HD12 ILE 13 120.899 5.896 0.159 104 H GLY 14 HN GLY 14 119.998 7.100 4.308 105 1HA GLY 14 HA2 GLY 14 122.293 8.089 5.906 106 2HA GLY 14 HA1 GLY 14 122.169 8.644 4.236 107 H LYS 15 HN LYS 15 122.001 10.785 5.470 108 HA LYS 15 HA LYS 15 119.247 11.662 5.444 109 1HB LYS 15 HB2 LYS 15 119.498 10.470 7.706 110 2HB LYS 15 HB1 LYS 15 120.576 11.791 8.156 111 1HG LYS 15 HG2 LYS 15 118.729 13.396 7.513 112 2HG LYS 15 HG1 LYS 15 117.665 11.999 7.346 113 1HD LYS 15 HD2 LYS 15 117.633 11.574 9.617 114 2HD LYS 15 HD1 LYS 15 119.236 12.263 9.875 115 1HE LYS 15 HE2 LYS 15 117.796 13.862 10.837 116 2HE LYS 15 HE1 LYS 15 118.134 14.524 9.237 117 1HZ LYS 15 HZ1 LYS 15 115.775 12.836 9.863 118 2HZ LYS 15 HZ3 LYS 15 115.748 14.532 9.862 119 3HZ LYS 15 HZ2 LYS 15 116.077 13.689 8.423 120 H ASP 16 HN ASP 16 119.853 13.404 4.192 121 HA ASP 16 HA ASP 16 120.775 15.493 3.659 122 1HB ASP 16 HB2 ASP 16 120.687 15.452 6.642 123 2HB ASP 16 HB1 ASP 16 121.642 16.722 5.875 124 H GLY 17 HN GLY 17 122.509 13.045 3.818 125 1HA GLY 17 HA2 GLY 17 124.796 12.901 3.065 126 2HA GLY 17 HA1 GLY 17 125.103 14.485 3.779 127 H HIS 18 HN HIS 18 124.077 14.073 6.358 128 HA HIS 18 HA HIS 18 126.191 12.338 7.476 129 1HB HIS 18 HB2 HIS 18 125.457 13.330 9.658 130 2HB HIS 18 HB1 HIS 18 125.946 14.542 8.475 131 HD1 HIS 18 HD1 HIS 18 122.820 12.975 9.951 132 HD2 HIS 18 HD2 HIS 18 123.928 16.340 7.752 133 HE1 HIS 18 HE1 HIS 18 120.769 14.457 9.827 134 H LEU 19 HN LEU 19 125.690 10.704 9.093 135 HA LEU 19 HA LEU 19 123.364 9.114 8.392 136 1HB LEU 19 HB2 LEU 19 125.388 8.804 10.631 137 2HB LEU 19 HB1 LEU 19 124.186 7.593 10.185 138 HG LEU 19 HG LEU 19 126.119 8.699 8.150 139 1HD1 LEU 19 HD12 LEU 19 126.515 6.327 10.001 140 2HD1 LEU 19 HD11 LEU 19 127.527 6.695 8.605 141 3HD1 LEU 19 HD13 LEU 19 127.480 7.802 9.977 142 1HD2 LEU 19 HD23 LEU 19 124.532 6.123 8.403 143 2HD2 LEU 19 HD22 LEU 19 124.173 7.462 7.313 144 3HD2 LEU 19 HD21 LEU 19 125.633 6.500 7.078 145 HA PRO 20 HA PRO 20 120.553 10.712 11.466 146 1HB PRO 20 HB2 PRO 20 118.872 8.493 11.592 147 2HB PRO 20 HB1 PRO 20 118.768 9.793 10.398 148 1HG PRO 20 HG2 PRO 20 119.550 7.049 10.004 149 2HG PRO 20 HG1 PRO 20 119.310 8.319 8.795 150 1HD PRO 20 HD2 PRO 20 121.803 7.265 9.851 151 2HD PRO 20 HD1 PRO 20 121.547 8.379 8.499 152 H TRP 21 HN TRP 21 121.919 7.477 11.904 153 HA TRP 21 HA TRP 21 121.527 7.766 14.854 154 1HB TRP 21 HB2 TRP 21 121.882 5.287 14.919 155 2HB TRP 21 HB1 TRP 21 120.464 5.756 13.983 156 HD1 TRP 21 HD1 TRP 21 124.160 4.790 13.441 157 HE1 TRP 21 HE1 TRP 21 124.376 3.689 11.120 158 HE3 TRP 21 HE3 TRP 21 119.379 5.369 11.742 159 HZ2 TRP 21 HZ2 TRP 21 122.738 3.128 8.844 160 HZ3 TRP 21 HZ3 TRP 21 118.735 4.544 9.495 161 HH2 TRP 21 HH2 TRP 21 120.407 3.424 8.046 162 H HIS 22 HN HIS 22 123.411 6.166 15.881 163 HA HIS 22 HA HIS 22 126.015 6.908 14.641 164 1HB HIS 22 HB2 HIS 22 125.305 8.586 16.437 165 2HB HIS 22 HB1 HIS 22 125.480 7.270 17.597 166 HD1 HIS 22 HD1 HIS 22 127.541 9.084 14.955 167 HD2 HIS 22 HD2 HIS 22 128.092 6.863 18.440 168 HE1 HIS 22 HE1 HIS 22 130.017 9.176 15.480 169 H LEU 23 HN LEU 23 126.187 4.652 14.118 170 HA LEU 23 HA LEU 23 126.525 2.849 16.478 171 1HB LEU 23 HB2 LEU 23 124.794 2.410 14.518 172 2HB LEU 23 HB1 LEU 23 126.227 1.794 13.694 173 HG LEU 23 HG LEU 23 126.640 0.483 15.914 174 1HD1 LEU 23 HD12 LEU 23 123.716 1.247 16.107 175 2HD1 LEU 23 HD11 LEU 23 124.408 -0.127 16.970 176 3HD1 LEU 23 HD13 LEU 23 124.978 1.507 17.312 177 1HD2 LEU 23 HD21 LEU 23 124.677 -0.068 13.720 178 2HD2 LEU 23 HD23 LEU 23 126.195 -0.884 14.093 179 3HD2 LEU 23 HD22 LEU 23 124.760 -1.203 15.067 180 HA PRO 24 HA PRO 24 130.841 3.129 15.027 181 1HB PRO 24 HB2 PRO 24 131.837 2.070 17.432 182 2HB PRO 24 HB1 PRO 24 131.682 3.785 17.027 183 1HG PRO 24 HG2 PRO 24 130.213 2.289 18.971 184 2HG PRO 24 HG1 PRO 24 130.073 4.006 18.574 185 1HD PRO 24 HD2 PRO 24 128.315 1.803 17.824 186 2HD PRO 24 HD1 PRO 24 128.037 3.547 17.698 187 H ASP 25 HN ASP 25 129.175 0.393 16.481 188 HA ASP 25 HA ASP 25 131.133 -1.625 15.953 189 1HB ASP 25 HB2 ASP 25 129.082 -1.895 17.400 190 2HB ASP 25 HB1 ASP 25 128.123 -1.976 15.922 191 H ASP 26 HN ASP 26 128.566 -0.211 13.965 192 HA ASP 26 HA ASP 26 128.860 -2.065 11.766 193 1HB ASP 26 HB2 ASP 26 126.863 -0.546 12.212 194 2HB ASP 26 HB1 ASP 26 127.847 0.783 11.596 195 H LEU 27 HN LEU 27 130.402 0.969 12.668 196 HA LEU 27 HA LEU 27 131.702 1.455 10.143 197 1HB LEU 27 HB2 LEU 27 132.222 2.366 12.976 198 2HB LEU 27 HB1 LEU 27 133.298 2.819 11.653 199 HG LEU 27 HG LEU 27 130.317 3.233 11.449 200 1HD1 LEU 27 HD12 LEU 27 131.296 4.355 13.517 201 2HD1 LEU 27 HD11 LEU 27 132.300 5.305 12.421 202 3HD1 LEU 27 HD13 LEU 27 130.543 5.443 12.351 203 1HD2 LEU 27 HD22 LEU 27 132.052 3.357 9.495 204 2HD2 LEU 27 HD21 LEU 27 130.871 4.657 9.662 205 3HD2 LEU 27 HD23 LEU 27 132.523 4.887 10.234 206 H HIS 28 HN HIS 28 132.506 -0.479 12.976 207 HA HIS 28 HA HIS 28 135.257 -0.977 12.288 208 1HB HIS 28 HB2 HIS 28 133.284 -2.556 13.961 209 2HB HIS 28 HB1 HIS 28 134.999 -2.946 13.837 210 HD1 HIS 28 HD1 HIS 28 136.333 -0.259 14.026 211 HD2 HIS 28 HD2 HIS 28 133.054 -1.264 16.395 212 HE1 HIS 28 HE1 HIS 28 136.411 1.272 16.042 213 H TYR 29 HN TYR 29 132.210 -2.607 11.497 214 HA TYR 29 HA TYR 29 133.424 -4.879 10.197 215 1HB TYR 29 HB2 TYR 29 130.996 -4.629 11.024 216 2HB TYR 29 HB1 TYR 29 130.706 -3.743 9.527 217 HD1 TYR 29 HD1 TYR 29 132.447 -6.891 10.622 218 HD2 TYR 29 HD2 TYR 29 129.912 -4.982 7.727 219 HE1 TYR 29 HE1 TYR 29 132.235 -9.035 9.394 220 HE2 TYR 29 HE2 TYR 29 129.699 -7.126 6.500 221 HH TYR 29 HH TYR 29 130.029 -9.843 7.480 222 H PHE 30 HN PHE 30 132.555 -1.637 9.160 223 HA PHE 30 HA PHE 30 132.703 -2.074 6.329 224 1HB PHE 30 HB2 PHE 30 131.740 -0.033 7.447 225 2HB PHE 30 HB1 PHE 30 133.387 0.470 7.831 226 HD1 PHE 30 HD1 PHE 30 131.317 -0.664 4.912 227 HD2 PHE 30 HD2 PHE 30 134.544 1.805 6.306 228 HE1 PHE 30 HE1 PHE 30 131.550 0.314 2.644 229 HE2 PHE 30 HE2 PHE 30 134.777 2.781 4.039 230 HZ PHE 30 HZ PHE 30 133.280 2.036 2.207 231 H ARG 31 HN ARG 31 135.141 -1.283 8.776 232 HA ARG 31 HA ARG 31 137.304 -0.781 6.963 233 1HB ARG 31 HB2 ARG 31 137.012 -0.535 9.640 234 2HB ARG 31 HB1 ARG 31 137.919 -2.047 9.582 235 1HG ARG 31 HG2 ARG 31 139.458 -0.765 7.902 236 2HG ARG 31 HG1 ARG 31 138.732 0.680 8.606 237 1HD ARG 31 HD2 ARG 31 140.462 0.439 10.096 238 2HD ARG 31 HD1 ARG 31 139.315 -0.651 10.873 239 HE ARG 31 HE ARG 31 140.742 -2.191 8.987 240 1HH1 ARG 31 HH11 ARG 31 141.394 -0.363 11.898 241 2HH1 ARG 31 HH12 ARG 31 142.738 -1.358 12.341 242 1HH2 ARG 31 HH21 ARG 31 142.485 -3.452 9.599 243 2HH2 ARG 31 HH22 ARG 31 143.350 -3.088 11.056 244 H ALA 32 HN ALA 32 135.977 -3.737 8.357 245 HA ALA 32 HA ALA 32 138.153 -5.445 7.477 246 1HB ALA 32 HB1 ALA 32 136.463 -5.948 9.333 247 2HB ALA 32 HB3 ALA 32 135.314 -6.317 8.048 248 3HB ALA 32 HB2 ALA 32 136.791 -7.266 8.208 249 H GLN 33 HN GLN 33 135.135 -4.312 6.075 250 HA GLN 33 HA GLN 33 135.505 -6.094 3.724 251 1HB GLN 33 HB2 GLN 33 133.255 -4.161 4.364 252 2HB GLN 33 HB1 GLN 33 133.272 -5.341 3.054 253 1HG GLN 33 HG2 GLN 33 133.729 -6.279 5.867 254 2HG GLN 33 HG1 GLN 33 132.085 -5.929 5.335 255 1HE2 GLN 33 HE22 GLN 33 133.733 -9.402 4.255 256 2HE2 GLN 33 HE21 GLN 33 134.347 -8.410 5.487 257 H THR 34 HN THR 34 137.439 -4.033 4.122 258 HA THR 34 HA THR 34 137.054 -2.540 1.598 259 HB THR 34 HB THR 34 137.830 -0.413 2.772 260 HG1 THR 34 HG1 THR 34 136.953 -1.873 5.039 261 1HG2 THR 34 HG23 THR 34 135.140 -1.602 3.509 262 2HG2 THR 34 HG22 THR 34 135.546 0.112 3.602 263 3HG2 THR 34 HG21 THR 34 135.516 -0.704 2.038 264 H VAL 35 HN VAL 35 139.195 -3.142 4.393 265 HA VAL 35 HA VAL 35 141.637 -2.359 3.173 266 HB VAL 35 HB VAL 35 142.713 -3.870 4.844 267 1HG1 VAL 35 HG12 VAL 35 140.522 -1.955 5.580 268 2HG1 VAL 35 HG11 VAL 35 141.362 -2.832 6.859 269 3HG1 VAL 35 HG13 VAL 35 142.267 -1.781 5.769 270 1HG2 VAL 35 HG22 VAL 35 139.937 -4.933 4.911 271 2HG2 VAL 35 HG21 VAL 35 141.466 -5.759 5.206 272 3HG2 VAL 35 HG23 VAL 35 140.737 -4.774 6.474 273 H GLY 36 HN GLY 36 142.826 -3.275 1.573 274 1HA GLY 36 HA2 GLY 36 143.666 -4.901 0.092 275 2HA GLY 36 HA1 GLY 36 142.938 -6.136 1.118 276 H LYS 37 HN LYS 37 141.026 -3.499 -0.173 277 HA LYS 37 HA LYS 37 139.930 -5.250 -2.307 278 1HB LYS 37 HB2 LYS 37 138.357 -4.063 -0.009 279 2HB LYS 37 HB1 LYS 37 137.592 -4.567 -1.517 280 1HG LYS 37 HG2 LYS 37 138.131 -6.829 -1.182 281 2HG LYS 37 HG1 LYS 37 139.410 -6.451 -0.028 282 1HD LYS 37 HD2 LYS 37 137.929 -6.106 1.718 283 2HD LYS 37 HD1 LYS 37 136.611 -5.635 0.644 284 1HE LYS 37 HE2 LYS 37 137.585 -8.418 0.326 285 2HE LYS 37 HE1 LYS 37 136.760 -8.067 1.845 286 1HZ LYS 37 HZ1 LYS 37 135.006 -6.978 0.384 287 2HZ LYS 37 HZ3 LYS 37 135.730 -7.798 -0.912 288 3HZ LYS 37 HZ2 LYS 37 135.071 -8.675 0.386 289 H ILE 38 HN ILE 38 138.036 -3.796 -3.400 290 HA ILE 38 HA ILE 38 139.318 -1.149 -3.924 291 HB ILE 38 HB ILE 38 137.329 -2.665 -5.644 292 1HG1 ILE 38 HG12 ILE 38 140.299 -2.370 -6.131 293 2HG1 ILE 38 HG11 ILE 38 139.635 -3.749 -5.255 294 1HG2 ILE 38 HG21 ILE 38 139.046 -0.205 -6.071 295 2HG2 ILE 38 HG23 ILE 38 138.267 -1.076 -7.392 296 3HG2 ILE 38 HG22 ILE 38 137.286 -0.312 -6.140 297 1HD1 ILE 38 HD11 ILE 38 138.008 -3.903 -7.321 298 2HD1 ILE 38 HD13 ILE 38 139.275 -2.985 -8.135 299 3HD1 ILE 38 HD12 ILE 38 139.638 -4.564 -7.437 300 H MET 39 HN MET 39 138.317 0.154 -2.380 301 HA MET 39 HA MET 39 135.482 0.002 -1.790 302 1HB MET 39 HB2 MET 39 137.502 1.018 -0.401 303 2HB MET 39 HB1 MET 39 137.074 2.489 -1.275 304 1HG MET 39 HG2 MET 39 134.740 2.271 -0.493 305 2HG MET 39 HG1 MET 39 135.175 0.810 0.390 306 1HE MET 39 HE3 MET 39 135.323 4.261 -0.286 307 2HE MET 39 HE2 MET 39 135.257 5.018 1.303 308 3HE MET 39 HE1 MET 39 136.805 4.846 0.481 309 H VAL 40 HN VAL 40 134.089 0.447 -3.447 310 HA VAL 40 HA VAL 40 134.683 2.742 -5.246 311 HB VAL 40 HB VAL 40 132.487 0.662 -5.464 312 1HG1 VAL 40 HG12 VAL 40 133.641 2.663 -7.433 313 2HG1 VAL 40 HG11 VAL 40 132.438 1.435 -7.828 314 3HG1 VAL 40 HG13 VAL 40 132.037 2.731 -6.700 315 1HG2 VAL 40 HG22 VAL 40 135.329 0.743 -6.467 316 2HG2 VAL 40 HG21 VAL 40 134.467 -0.591 -5.698 317 3HG2 VAL 40 HG23 VAL 40 134.090 -0.139 -7.360 318 H VAL 41 HN VAL 41 133.717 4.652 -4.806 319 HA VAL 41 HA VAL 41 131.024 4.637 -3.525 320 HB VAL 41 HB VAL 41 131.764 6.578 -2.112 321 1HG1 VAL 41 HG13 VAL 41 133.158 3.906 -1.822 322 2HG1 VAL 41 HG12 VAL 41 133.210 5.150 -0.573 323 3HG1 VAL 41 HG11 VAL 41 131.667 4.436 -1.042 324 1HG2 VAL 41 HG23 VAL 41 133.747 7.064 -3.665 325 2HG2 VAL 41 HG22 VAL 41 134.081 7.137 -1.935 326 3HG2 VAL 41 HG21 VAL 41 134.568 5.723 -2.868 327 H GLY 42 HN GLY 42 129.904 6.757 -3.824 328 1HA GLY 42 HA2 GLY 42 130.468 7.818 -6.520 329 2HA GLY 42 HA1 GLY 42 129.027 8.151 -5.558 330 H ARG 43 HN ARG 43 129.482 10.437 -6.213 331 HA ARG 43 HA ARG 43 131.835 11.739 -5.049 332 1HB ARG 43 HB2 ARG 43 130.690 12.469 -7.199 333 2HB ARG 43 HB1 ARG 43 129.369 13.070 -6.195 334 1HG ARG 43 HG2 ARG 43 131.286 14.292 -4.882 335 2HG ARG 43 HG1 ARG 43 132.206 14.044 -6.365 336 1HD ARG 43 HD2 ARG 43 131.070 15.668 -7.450 337 2HD ARG 43 HD1 ARG 43 129.513 15.044 -6.908 338 HE ARG 43 HE ARG 43 130.899 16.379 -4.753 339 1HH1 ARG 43 HH21 ARG 43 129.018 16.940 -7.649 340 2HH1 ARG 43 HH22 ARG 43 128.442 18.473 -7.097 341 1HH2 ARG 43 HH11 ARG 43 130.127 18.366 -4.079 342 2HH2 ARG 43 HH12 ARG 43 129.060 19.275 -5.098 343 H ARG 44 HN ARG 44 128.331 11.649 -4.404 344 HA ARG 44 HA ARG 44 128.390 13.459 -2.177 345 1HB ARG 44 HB2 ARG 44 126.362 12.517 -3.543 346 2HB ARG 44 HB1 ARG 44 126.418 11.194 -2.377 347 1HG ARG 44 HG2 ARG 44 125.726 12.515 -0.636 348 2HG ARG 44 HG1 ARG 44 126.561 13.942 -1.252 349 1HD ARG 44 HD2 ARG 44 124.295 14.481 -1.571 350 2HD ARG 44 HD1 ARG 44 124.785 13.878 -3.155 351 HE ARG 44 HE ARG 44 123.831 11.664 -1.668 352 1HH1 ARG 44 HH21 ARG 44 122.626 14.657 -3.019 353 2HH1 ARG 44 HH22 ARG 44 121.028 14.032 -3.235 354 1HH2 ARG 44 HH11 ARG 44 121.750 10.898 -1.966 355 2HH2 ARG 44 HH12 ARG 44 120.536 11.928 -2.646 356 H THR 45 HN THR 45 128.960 9.999 -2.488 357 HA THR 45 HA THR 45 129.003 9.549 0.405 358 HB THR 45 HB THR 45 130.129 7.717 -1.720 359 HG1 THR 45 HG1 THR 45 127.450 7.889 -0.810 360 1HG2 THR 45 HG21 THR 45 129.032 7.391 1.073 361 2HG2 THR 45 HG23 THR 45 129.190 6.025 -0.032 362 3HG2 THR 45 HG22 THR 45 130.621 6.929 0.464 363 H TYR 46 HN TYR 46 131.315 10.245 -2.149 364 HA TYR 46 HA TYR 46 133.696 9.568 -0.681 365 1HB TYR 46 HB2 TYR 46 133.546 9.951 -3.179 366 2HB TYR 46 HB1 TYR 46 133.426 11.678 -2.839 367 HD1 TYR 46 HD1 TYR 46 135.558 8.697 -2.050 368 HD2 TYR 46 HD2 TYR 46 135.379 12.949 -2.633 369 HE1 TYR 46 HE1 TYR 46 138.026 8.830 -1.845 370 HE2 TYR 46 HE2 TYR 46 137.847 13.082 -2.428 371 HH TYR 46 HH TYR 46 139.690 11.034 -1.076 372 H GLU 47 HN GLU 47 131.692 12.466 -0.871 373 HA GLU 47 HA GLU 47 133.571 14.081 0.695 374 1HB GLU 47 HB2 GLU 47 130.689 14.595 -0.102 375 2HB GLU 47 HB1 GLU 47 131.767 15.778 0.639 376 1HG GLU 47 HG2 GLU 47 133.203 15.816 -1.257 377 2HG GLU 47 HG1 GLU 47 132.481 14.352 -1.927 378 H SER 48 HN SER 48 130.911 11.925 1.346 379 HA SER 48 HA SER 48 130.085 12.943 3.883 380 1HB SER 48 HB2 SER 48 129.051 10.808 4.220 381 2HB SER 48 HB1 SER 48 128.944 11.136 2.493 382 HG SER 48 HG SER 48 129.820 9.190 2.458 383 H PHE 49 HN PHE 49 132.844 11.003 2.904 384 HA PHE 49 HA PHE 49 133.583 10.023 5.491 385 1HB PHE 49 HB2 PHE 49 135.402 10.707 3.164 386 2HB PHE 49 HB1 PHE 49 135.786 9.630 4.507 387 HD1 PHE 49 HD1 PHE 49 133.618 7.903 4.919 388 HD2 PHE 49 HD2 PHE 49 134.967 9.558 1.192 389 HE1 PHE 49 HE1 PHE 49 132.571 6.014 3.702 390 HE2 PHE 49 HE2 PHE 49 133.918 7.669 -0.025 391 HZ PHE 49 HZ PHE 49 132.720 5.897 1.229 392 HA PRO 50 HA PRO 50 135.169 13.746 7.368 393 1HB PRO 50 HB2 PRO 50 136.791 12.494 9.266 394 2HB PRO 50 HB1 PRO 50 135.066 12.839 9.449 395 1HG PRO 50 HG2 PRO 50 136.364 10.288 9.149 396 2HG PRO 50 HG1 PRO 50 134.660 10.633 9.464 397 1HD PRO 50 HD2 PRO 50 135.912 9.823 6.977 398 2HD PRO 50 HD1 PRO 50 134.190 9.985 7.356 399 H LYS 51 HN LYS 51 137.691 11.201 7.163 400 HA LYS 51 HA LYS 51 139.605 13.311 6.259 401 1HB LYS 51 HB2 LYS 51 140.083 11.902 8.361 402 2HB LYS 51 HB1 LYS 51 140.344 10.554 7.252 403 1HG LYS 51 HG2 LYS 51 141.910 12.263 6.003 404 2HG LYS 51 HG1 LYS 51 141.933 13.082 7.565 405 1HD LYS 51 HD2 LYS 51 142.556 10.852 8.606 406 2HD LYS 51 HD1 LYS 51 142.781 10.238 6.967 407 1HE LYS 51 HE2 LYS 51 144.943 10.954 7.616 408 2HE LYS 51 HE1 LYS 51 144.331 12.274 6.618 409 1HZ LYS 51 HZ1 LYS 51 144.034 12.221 9.565 410 2HZ LYS 51 HZ3 LYS 51 145.367 12.931 8.794 411 3HZ LYS 51 HZ2 LYS 51 143.804 13.537 8.515 412 H ARG 52 HN ARG 52 139.454 13.311 4.039 413 HA ARG 52 HA ARG 52 139.545 10.674 2.644 414 1HB ARG 52 HB2 ARG 52 138.810 13.402 1.536 415 2HB ARG 52 HB1 ARG 52 138.692 11.865 0.681 416 1HG ARG 52 HG2 ARG 52 136.801 11.229 1.800 417 2HG ARG 52 HG1 ARG 52 137.311 11.993 3.305 418 1HD ARG 52 HD2 ARG 52 136.504 13.633 0.904 419 2HD ARG 52 HD1 ARG 52 135.311 13.054 2.068 420 HE ARG 52 HE ARG 52 137.253 14.268 3.635 421 1HH1 ARG 52 HH11 ARG 52 135.265 15.259 0.932 422 2HH1 ARG 52 HH12 ARG 52 135.227 16.911 1.438 423 1HH2 ARG 52 HH21 ARG 52 137.175 16.417 4.252 424 2HH2 ARG 52 HH22 ARG 52 136.294 17.563 3.297 425 HA PRO 53 HA PRO 53 140.017 9.868 0.713 426 1HB PRO 53 HB2 PRO 53 142.116 8.289 -0.231 427 2HB PRO 53 HB1 PRO 53 141.177 9.437 -1.198 428 1HG PRO 53 HG2 PRO 53 143.932 9.607 -0.422 429 2HG PRO 53 HG1 PRO 53 143.001 10.729 -1.425 430 1HD PRO 53 HD2 PRO 53 143.775 10.981 1.386 431 2HD PRO 53 HD1 PRO 53 143.160 12.217 0.278 432 H LEU 54 HN LEU 54 139.800 7.626 1.453 433 HA LEU 54 HA LEU 54 140.786 7.234 4.152 434 1HB LEU 54 HB2 LEU 54 139.246 5.415 2.281 435 2HB LEU 54 HB1 LEU 54 139.586 5.038 3.971 436 HG LEU 54 HG LEU 54 138.180 7.575 3.108 437 1HD1 LEU 54 HD12 LEU 54 137.121 4.823 3.698 438 2HD1 LEU 54 HD11 LEU 54 136.157 6.242 4.105 439 3HD1 LEU 54 HD13 LEU 54 136.634 5.952 2.432 440 1HD2 LEU 54 HD21 LEU 54 138.448 6.107 5.751 441 2HD2 LEU 54 HD23 LEU 54 139.214 7.638 5.327 442 3HD2 LEU 54 HD22 LEU 54 137.461 7.547 5.497 443 HA PRO 55 HA PRO 55 144.534 5.133 2.696 444 1HB PRO 55 HB2 PRO 55 145.610 4.903 5.269 445 2HB PRO 55 HB1 PRO 55 145.880 6.245 4.149 446 1HG PRO 55 HG2 PRO 55 144.418 6.255 6.615 447 2HG PRO 55 HG1 PRO 55 144.743 7.607 5.522 448 1HD PRO 55 HD2 PRO 55 142.285 6.080 5.861 449 2HD PRO 55 HD1 PRO 55 142.547 7.597 4.987 450 H GLU 56 HN GLU 56 145.744 3.078 3.552 451 HA GLU 56 HA GLU 56 145.653 0.788 4.040 452 1HB GLU 56 HB2 GLU 56 144.844 1.873 6.284 453 2HB GLU 56 HB1 GLU 56 143.257 1.282 5.791 454 1HG GLU 56 HG2 GLU 56 144.216 -0.463 7.113 455 2HG GLU 56 HG1 GLU 56 144.367 -0.993 5.437 456 H ARG 57 HN ARG 57 143.999 1.986 1.861 457 HA ARG 57 HA ARG 57 142.613 -0.366 1.031 458 1HB ARG 57 HB2 ARG 57 140.270 0.496 1.159 459 2HB ARG 57 HB1 ARG 57 140.975 0.206 2.748 460 1HG ARG 57 HG2 ARG 57 141.696 2.718 2.603 461 2HG ARG 57 HG1 ARG 57 140.437 2.825 1.373 462 1HD ARG 57 HD2 ARG 57 139.118 3.245 3.203 463 2HD ARG 57 HD1 ARG 57 139.070 1.483 3.269 464 HE ARG 57 HE ARG 57 141.345 2.469 4.727 465 1HH1 ARG 57 HH11 ARG 57 137.867 2.152 4.908 466 2HH1 ARG 57 HH12 ARG 57 137.860 2.119 6.636 467 1HH2 ARG 57 HH21 ARG 57 141.289 2.425 6.963 468 2HH2 ARG 57 HH22 ARG 57 139.775 2.271 7.789 469 H THR 58 HN THR 58 141.200 0.160 -0.964 470 HA THR 58 HA THR 58 142.581 2.308 -2.493 471 HB THR 58 HB THR 58 140.730 0.249 -3.682 472 HG1 THR 58 HG1 THR 58 142.583 -1.071 -3.898 473 1HG2 THR 58 HG22 THR 58 143.082 1.892 -4.629 474 2HG2 THR 58 HG21 THR 58 142.449 0.529 -5.554 475 3HG2 THR 58 HG23 THR 58 141.423 1.925 -5.226 476 H ASN 59 HN ASN 59 141.441 4.020 -3.374 477 HA ASN 59 HA ASN 59 138.521 4.139 -2.722 478 1HB ASN 59 HB2 ASN 59 140.615 6.324 -2.869 479 2HB ASN 59 HB1 ASN 59 138.884 6.652 -2.788 480 1HD2 ASN 59 HD22 ASN 59 140.824 5.238 0.534 481 2HD2 ASN 59 HD21 ASN 59 141.585 5.163 -0.983 482 H VAL 60 HN VAL 60 137.123 4.576 -4.393 483 HA VAL 60 HA VAL 60 138.298 5.370 -7.021 484 HB VAL 60 HB VAL 60 136.134 3.279 -6.642 485 1HG1 VAL 60 HG11 VAL 60 136.048 4.557 -8.765 486 2HG1 VAL 60 HG13 VAL 60 137.731 4.129 -9.078 487 3HG1 VAL 60 HG12 VAL 60 136.493 2.873 -9.039 488 1HG2 VAL 60 HG23 VAL 60 139.095 3.008 -7.244 489 2HG2 VAL 60 HG22 VAL 60 138.244 2.385 -5.832 490 3HG2 VAL 60 HG21 VAL 60 137.928 1.697 -7.425 491 H VAL 61 HN VAL 61 137.447 7.389 -7.285 492 HA VAL 61 HA VAL 61 134.726 8.009 -6.340 493 HB VAL 61 HB VAL 61 136.667 9.759 -7.880 494 1HG1 VAL 61 HG12 VAL 61 134.198 10.386 -7.774 495 2HG1 VAL 61 HG11 VAL 61 134.404 10.547 -6.031 496 3HG1 VAL 61 HG13 VAL 61 135.315 11.587 -7.126 497 1HG2 VAL 61 HG23 VAL 61 136.230 9.476 -4.888 498 2HG2 VAL 61 HG22 VAL 61 137.664 8.949 -5.770 499 3HG2 VAL 61 HG21 VAL 61 137.277 10.666 -5.661 500 H LEU 62 HN LEU 62 133.016 7.541 -7.619 501 HA LEU 62 HA LEU 62 133.425 7.466 -10.577 502 1HB LEU 62 HB2 LEU 62 132.559 5.396 -9.419 503 2HB LEU 62 HB1 LEU 62 131.120 6.315 -8.978 504 HG LEU 62 HG LEU 62 130.805 6.820 -11.438 505 1HD1 LEU 62 HD12 LEU 62 133.151 4.935 -11.554 506 2HD1 LEU 62 HD11 LEU 62 132.002 5.010 -12.890 507 3HD1 LEU 62 HD13 LEU 62 132.905 6.451 -12.422 508 1HD2 LEU 62 HD21 LEU 62 130.724 4.005 -10.343 509 2HD2 LEU 62 HD23 LEU 62 129.389 5.142 -10.542 510 3HD2 LEU 62 HD22 LEU 62 130.117 4.380 -11.956 511 H THR 63 HN THR 63 132.791 9.327 -11.542 512 HA THR 63 HA THR 63 130.144 10.458 -10.877 513 HB THR 63 HB THR 63 131.591 11.715 -9.382 514 HG1 THR 63 HG1 THR 63 130.692 13.504 -9.991 515 1HG2 THR 63 HG23 THR 63 133.275 12.099 -11.865 516 2HG2 THR 63 HG22 THR 63 133.480 13.063 -10.403 517 3HG2 THR 63 HG21 THR 63 133.750 11.321 -10.355 518 H HIS 64 HN HIS 64 129.722 12.372 -12.476 519 HA HIS 64 HA HIS 64 130.828 11.577 -15.138 520 1HB HIS 64 HB2 HIS 64 128.121 12.514 -14.237 521 2HB HIS 64 HB1 HIS 64 128.638 12.851 -15.888 522 HD1 HIS 64 HD1 HIS 64 128.043 9.948 -13.527 523 HD2 HIS 64 HD2 HIS 64 128.607 10.631 -17.600 524 HE1 HIS 64 HE1 HIS 64 127.580 7.747 -14.693 525 H GLN 65 HN GLN 65 132.340 13.332 -13.604 526 HA GLN 65 HA GLN 65 132.023 15.862 -15.149 527 1HB GLN 65 HB2 GLN 65 131.237 15.911 -12.638 528 2HB GLN 65 HB1 GLN 65 132.968 15.952 -12.299 529 1HG GLN 65 HG2 GLN 65 133.258 17.970 -13.560 530 2HG GLN 65 HG1 GLN 65 131.631 17.857 -14.232 531 1HE2 GLN 65 HE22 GLN 65 130.152 18.672 -10.937 532 2HE2 GLN 65 HE21 GLN 65 129.988 17.443 -12.097 533 H GLU 66 HN GLU 66 133.949 16.636 -15.952 534 HA GLU 66 HA GLU 66 136.378 15.022 -15.367 535 1HB GLU 66 HB2 GLU 66 135.852 17.047 -17.566 536 2HB GLU 66 HB1 GLU 66 137.282 16.024 -17.424 537 1HG GLU 66 HG2 GLU 66 135.720 14.023 -17.478 538 2HG GLU 66 HG1 GLU 66 134.430 15.143 -17.918 539 H ASP 67 HN ASP 67 135.315 17.133 -13.548 540 HA ASP 67 HA ASP 67 137.677 18.971 -13.610 541 1HB ASP 67 HB2 ASP 67 134.836 19.503 -12.698 542 2HB ASP 67 HB1 ASP 67 136.185 20.596 -12.381 543 H TYR 68 HN TYR 68 135.408 17.151 -11.570 544 HA TYR 68 HA TYR 68 136.577 17.763 -9.045 545 1HB TYR 68 HB2 TYR 68 134.372 16.548 -9.516 546 2HB TYR 68 HB1 TYR 68 135.344 15.098 -9.768 547 HD1 TYR 68 HD1 TYR 68 136.787 14.225 -7.908 548 HD2 TYR 68 HD2 TYR 68 133.962 17.406 -7.321 549 HE1 TYR 68 HE1 TYR 68 136.900 13.871 -5.456 550 HE2 TYR 68 HE2 TYR 68 134.074 17.054 -4.868 551 HH TYR 68 HH TYR 68 136.020 15.990 -3.253 552 H GLN 69 HN GLN 69 138.481 17.131 -8.153 553 HA GLN 69 HA GLN 69 139.841 14.710 -9.244 554 1HB GLN 69 HB2 GLN 69 140.906 17.511 -9.027 555 2HB GLN 69 HB1 GLN 69 142.009 16.149 -8.833 556 1HG GLN 69 HG2 GLN 69 141.745 15.441 -11.023 557 2HG GLN 69 HG1 GLN 69 140.125 16.124 -11.156 558 1HE2 GLN 69 HE22 GLN 69 143.118 18.936 -11.288 559 2HE2 GLN 69 HE21 GLN 69 143.137 17.756 -10.068 560 H ALA 70 HN ALA 70 141.525 13.887 -7.717 561 HA ALA 70 HA ALA 70 141.275 14.842 -4.924 562 1HB ALA 70 HB1 ALA 70 140.632 12.010 -5.802 563 2HB ALA 70 HB3 ALA 70 140.831 12.517 -4.124 564 3HB ALA 70 HB2 ALA 70 139.507 13.167 -5.090 565 H GLN 71 HN GLN 71 143.156 14.495 -3.759 566 HA GLN 71 HA GLN 71 145.458 13.437 -5.285 567 1HB GLN 71 HB2 GLN 71 145.179 14.983 -2.703 568 2HB GLN 71 HB1 GLN 71 146.718 14.281 -3.204 569 1HG GLN 71 HG2 GLN 71 145.206 15.913 -5.201 570 2HG GLN 71 HG1 GLN 71 146.050 16.761 -3.905 571 1HE2 GLN 71 HE22 GLN 71 148.292 15.934 -6.938 572 2HE2 GLN 71 HE21 GLN 71 146.681 16.466 -6.909 573 H GLY 72 HN GLY 72 145.666 11.250 -5.158 574 1HA GLY 72 HA2 GLY 72 146.544 9.406 -3.780 575 2HA GLY 72 HA1 GLY 72 145.573 10.015 -2.438 576 H ALA 73 HN ALA 73 143.160 10.469 -3.914 577 HA ALA 73 HA ALA 73 142.181 7.697 -4.037 578 1HB ALA 73 HB1 ALA 73 140.972 10.411 -3.885 579 2HB ALA 73 HB3 ALA 73 140.017 9.170 -4.698 580 3HB ALA 73 HB2 ALA 73 140.531 8.935 -3.027 581 H VAL 74 HN VAL 74 141.284 6.731 -5.904 582 HA VAL 74 HA VAL 74 142.414 7.658 -8.437 583 HB VAL 74 HB VAL 74 140.476 5.379 -7.932 584 1HG1 VAL 74 HG11 VAL 74 142.209 6.253 -10.231 585 2HG1 VAL 74 HG13 VAL 74 141.829 4.543 -10.017 586 3HG1 VAL 74 HG12 VAL 74 140.530 5.713 -10.249 587 1HG2 VAL 74 HG23 VAL 74 143.460 5.628 -7.638 588 2HG2 VAL 74 HG22 VAL 74 142.306 4.800 -6.593 589 3HG2 VAL 74 HG21 VAL 74 142.760 4.089 -8.141 590 H VAL 75 HN VAL 75 141.222 8.407 -10.233 591 HA VAL 75 HA VAL 75 138.383 9.165 -9.662 592 HB VAL 75 HB VAL 75 140.375 10.746 -11.315 593 1HG1 VAL 75 HG13 VAL 75 137.989 11.020 -11.931 594 2HG1 VAL 75 HG12 VAL 75 137.614 11.425 -10.255 595 3HG1 VAL 75 HG11 VAL 75 138.645 12.491 -11.210 596 1HG2 VAL 75 HG23 VAL 75 139.373 11.181 -8.482 597 2HG2 VAL 75 HG22 VAL 75 141.024 10.777 -8.949 598 3HG2 VAL 75 HG21 VAL 75 140.339 12.338 -9.398 599 H VAL 76 HN VAL 76 137.097 7.983 -10.979 600 HA VAL 76 HA VAL 76 138.099 7.317 -13.718 601 HB VAL 76 HB VAL 76 136.390 5.481 -13.644 602 1HG1 VAL 76 HG11 VAL 76 138.451 5.545 -11.419 603 2HG1 VAL 76 HG13 VAL 76 137.639 4.086 -11.988 604 3HG1 VAL 76 HG12 VAL 76 138.706 4.980 -13.070 605 1HG2 VAL 76 HG21 VAL 76 135.005 6.707 -11.872 606 2HG2 VAL 76 HG23 VAL 76 135.230 4.978 -11.613 607 3HG2 VAL 76 HG22 VAL 76 136.189 6.139 -10.696 608 H HIS 77 HN HIS 77 136.180 7.070 -15.322 609 HA HIS 77 HA HIS 77 133.922 8.894 -14.768 610 1HB HIS 77 HB2 HIS 77 135.801 9.367 -17.103 611 2HB HIS 77 HB1 HIS 77 134.362 10.306 -16.708 612 HD1 HIS 77 HD1 HIS 77 134.467 11.803 -14.543 613 HD2 HIS 77 HD2 HIS 77 138.082 9.994 -15.565 614 HE1 HIS 77 HE1 HIS 77 136.260 12.967 -13.185 615 H ASP 78 HN ASP 78 134.061 6.064 -15.221 616 HA ASP 78 HA ASP 78 132.083 5.806 -17.314 617 1HB ASP 78 HB2 ASP 78 134.387 5.959 -18.522 618 2HB ASP 78 HB1 ASP 78 134.640 4.326 -17.905 619 H VAL 79 HN VAL 79 130.885 3.980 -16.918 620 HA VAL 79 HA VAL 79 131.333 2.452 -14.543 621 HB VAL 79 HB VAL 79 129.623 1.701 -16.935 622 1HG1 VAL 79 HG11 VAL 79 129.553 0.909 -14.008 623 2HG1 VAL 79 HG13 VAL 79 128.288 0.517 -15.173 624 3HG1 VAL 79 HG12 VAL 79 129.910 -0.145 -15.376 625 1HG2 VAL 79 HG21 VAL 79 129.403 4.030 -15.532 626 2HG2 VAL 79 HG23 VAL 79 128.027 3.186 -16.241 627 3HG2 VAL 79 HG22 VAL 79 128.416 2.963 -14.536 628 H ALA 80 HN ALA 80 132.059 1.823 -17.954 629 HA ALA 80 HA ALA 80 132.904 -0.901 -17.620 630 1HB ALA 80 HB3 ALA 80 133.515 1.216 -19.689 631 2HB ALA 80 HB2 ALA 80 134.204 -0.405 -19.780 632 3HB ALA 80 HB1 ALA 80 132.455 -0.184 -19.846 633 H ALA 81 HN ALA 81 134.550 2.204 -17.273 634 HA ALA 81 HA ALA 81 137.224 1.162 -17.096 635 1HB ALA 81 HB1 ALA 81 135.932 3.703 -16.084 636 2HB ALA 81 HB3 ALA 81 137.645 3.358 -15.847 637 3HB ALA 81 HB2 ALA 81 136.994 3.507 -17.479 638 H VAL 82 HN VAL 82 134.662 1.701 -14.711 639 HA VAL 82 HA VAL 82 136.216 1.212 -12.362 640 HB VAL 82 HB VAL 82 133.288 0.552 -12.798 641 1HG1 VAL 82 HG13 VAL 82 134.407 -0.320 -10.715 642 2HG1 VAL 82 HG12 VAL 82 134.782 1.348 -10.284 643 3HG1 VAL 82 HG11 VAL 82 133.103 0.824 -10.399 644 1HG2 VAL 82 HG22 VAL 82 134.756 3.131 -12.350 645 2HG2 VAL 82 HG21 VAL 82 133.361 2.807 -13.378 646 3HG2 VAL 82 HG23 VAL 82 133.159 2.923 -11.630 647 H PHE 83 HN PHE 83 134.617 -0.954 -14.647 648 HA PHE 83 HA PHE 83 135.082 -3.344 -13.037 649 1HB PHE 83 HB2 PHE 83 133.948 -2.719 -15.715 650 2HB PHE 83 HB1 PHE 83 134.651 -4.325 -15.523 651 HD1 PHE 83 HD2 PHE 83 132.385 -1.934 -13.723 652 HD2 PHE 83 HD1 PHE 83 133.334 -6.027 -14.618 653 HE1 PHE 83 HE2 PHE 83 130.364 -2.672 -12.490 654 HE2 PHE 83 HE1 PHE 83 131.313 -6.765 -13.385 655 HZ PHE 83 HZ PHE 83 129.829 -5.088 -12.320 656 H ALA 84 HN ALA 84 136.784 -1.589 -15.560 657 HA ALA 84 HA ALA 84 138.645 -3.625 -16.312 658 1HB ALA 84 HB1 ALA 84 138.253 -1.388 -17.471 659 2HB ALA 84 HB3 ALA 84 139.233 -0.657 -16.200 660 3HB ALA 84 HB2 ALA 84 139.942 -1.856 -17.281 661 H TYR 85 HN TYR 85 138.698 -1.190 -13.723 662 HA TYR 85 HA TYR 85 141.358 -1.702 -12.808 663 1HB TYR 85 HB2 TYR 85 139.777 0.223 -12.153 664 2HB TYR 85 HB1 TYR 85 139.064 -0.913 -11.007 665 HD1 TYR 85 HD1 TYR 85 142.317 0.603 -12.051 666 HD2 TYR 85 HD2 TYR 85 140.094 -1.332 -8.926 667 HE1 TYR 85 HE1 TYR 85 144.169 1.042 -10.461 668 HE2 TYR 85 HE2 TYR 85 141.946 -0.893 -7.337 669 HH TYR 85 HH TYR 85 144.820 -0.391 -7.959 670 H ALA 86 HN ALA 86 138.230 -3.159 -11.952 671 HA ALA 86 HA ALA 86 139.322 -4.888 -9.902 672 1HB ALA 86 HB3 ALA 86 136.761 -5.138 -11.510 673 2HB ALA 86 HB2 ALA 86 137.142 -6.044 -10.045 674 3HB ALA 86 HB1 ALA 86 136.926 -4.295 -9.970 675 H LYS 87 HN LYS 87 138.465 -5.345 -13.333 676 HA LYS 87 HA LYS 87 139.143 -8.122 -13.470 677 1HB LYS 87 HB2 LYS 87 137.857 -6.804 -15.208 678 2HB LYS 87 HB1 LYS 87 139.394 -6.102 -15.714 679 1HG LYS 87 HG2 LYS 87 140.203 -8.570 -15.890 680 2HG LYS 87 HG1 LYS 87 138.484 -8.966 -15.897 681 1HD LYS 87 HD2 LYS 87 138.094 -7.796 -17.903 682 2HD LYS 87 HD1 LYS 87 139.585 -6.864 -17.755 683 1HE LYS 87 HE2 LYS 87 140.885 -8.974 -18.068 684 2HE LYS 87 HE1 LYS 87 139.368 -9.833 -18.336 685 1HZ LYS 87 HZ1 LYS 87 140.096 -7.447 -19.920 686 2HZ LYS 87 HZ3 LYS 87 140.620 -8.997 -20.367 687 3HZ LYS 87 HZ2 LYS 87 138.957 -8.654 -20.285 688 H GLN 88 HN GLN 88 141.054 -5.196 -14.208 689 HA GLN 88 HA GLN 88 143.459 -6.590 -14.910 690 1HB GLN 88 HB2 GLN 88 142.833 -3.785 -14.015 691 2HB GLN 88 HB1 GLN 88 144.508 -4.305 -14.192 692 1HG GLN 88 HG2 GLN 88 143.852 -5.125 -16.529 693 2HG GLN 88 HG1 GLN 88 142.360 -4.209 -16.315 694 1HE2 GLN 88 HE22 GLN 88 145.169 -2.101 -17.854 695 2HE2 GLN 88 HE21 GLN 88 144.660 -3.681 -18.207 696 H HIS 89 HN HIS 89 142.031 -5.713 -11.833 697 HA HIS 89 HA HIS 89 144.472 -6.747 -10.447 698 1HB HIS 89 HB2 HIS 89 142.310 -4.906 -9.379 699 2HB HIS 89 HB1 HIS 89 143.736 -5.446 -8.492 700 HD1 HIS 89 HD1 HIS 89 145.381 -3.579 -8.419 701 HD2 HIS 89 HD2 HIS 89 143.466 -3.779 -12.116 702 HE1 HIS 89 HE1 HIS 89 146.419 -1.775 -9.862 703 HA PRO 90 HA PRO 90 141.306 -9.986 -9.644 704 1HB PRO 90 HB2 PRO 90 143.275 -11.991 -9.525 705 2HB PRO 90 HB1 PRO 90 142.249 -11.609 -10.914 706 1HG PRO 90 HG2 PRO 90 145.067 -11.222 -10.646 707 2HG PRO 90 HG1 PRO 90 144.035 -10.837 -12.032 708 1HD PRO 90 HD2 PRO 90 145.168 -9.038 -10.031 709 2HD PRO 90 HD1 PRO 90 144.409 -8.651 -11.582 710 H ASP 91 HN ASP 91 144.362 -9.258 -8.066 711 HA ASP 91 HA ASP 91 144.000 -10.858 -5.716 712 1HB ASP 91 HB2 ASP 91 145.620 -9.245 -4.678 713 2HB ASP 91 HB1 ASP 91 146.173 -9.891 -6.223 714 H GLN 92 HN GLN 92 142.852 -7.652 -6.640 715 HA GLN 92 HA GLN 92 141.543 -7.347 -3.982 716 1HB GLN 92 HB2 GLN 92 141.743 -5.338 -6.246 717 2HB GLN 92 HB1 GLN 92 141.209 -5.019 -4.595 718 1HG GLN 92 HG2 GLN 92 143.562 -6.006 -3.948 719 2HG GLN 92 HG1 GLN 92 143.977 -5.587 -5.611 720 1HE2 GLN 92 HE21 GLN 92 144.200 -4.342 -2.575 721 2HE2 GLN 92 HE22 GLN 92 144.072 -2.685 -2.921 722 H GLU 93 HN GLU 93 139.246 -6.662 -3.980 723 HA GLU 93 HA GLU 93 137.762 -7.828 -6.303 724 1HB GLU 93 HB2 GLU 93 137.061 -7.719 -3.357 725 2HB GLU 93 HB1 GLU 93 135.912 -8.192 -4.611 726 1HG GLU 93 HG2 GLU 93 137.316 -10.053 -5.279 727 2HG GLU 93 HG1 GLU 93 138.596 -9.533 -4.181 728 H LEU 94 HN LEU 94 135.310 -6.877 -6.072 729 HA LEU 94 HA LEU 94 135.646 -3.904 -6.059 730 1HB LEU 94 HB2 LEU 94 135.044 -5.161 -8.239 731 2HB LEU 94 HB1 LEU 94 133.459 -5.400 -7.505 732 HG LEU 94 HG LEU 94 133.307 -2.923 -7.158 733 1HD1 LEU 94 HD12 LEU 94 135.964 -3.077 -8.569 734 2HD1 LEU 94 HD11 LEU 94 134.958 -1.637 -8.713 735 3HD1 LEU 94 HD13 LEU 94 135.531 -2.158 -7.128 736 1HD2 LEU 94 HD22 LEU 94 133.649 -4.093 -9.920 737 2HD2 LEU 94 HD21 LEU 94 132.152 -3.719 -9.065 738 3HD2 LEU 94 HD23 LEU 94 133.158 -2.413 -9.694 739 H VAL 95 HN VAL 95 134.650 -2.934 -4.372 740 HA VAL 95 HA VAL 95 132.230 -4.257 -3.207 741 HB VAL 95 HB VAL 95 134.183 -2.409 -1.804 742 1HG1 VAL 95 HG13 VAL 95 131.875 -2.439 -0.896 743 2HG1 VAL 95 HG12 VAL 95 131.967 -4.195 -0.753 744 3HG1 VAL 95 HG11 VAL 95 133.023 -3.174 0.223 745 1HG2 VAL 95 HG21 VAL 95 135.220 -4.576 -2.442 746 2HG2 VAL 95 HG23 VAL 95 135.016 -4.439 -0.696 747 3HG2 VAL 95 HG22 VAL 95 133.901 -5.427 -1.640 748 H ILE 96 HN ILE 96 130.400 -2.993 -2.957 749 HA ILE 96 HA ILE 96 130.591 -0.182 -3.963 750 HB ILE 96 HB ILE 96 128.151 -1.980 -3.938 751 1HG1 ILE 96 HG12 ILE 96 129.895 -2.896 -5.431 752 2HG1 ILE 96 HG11 ILE 96 128.548 -2.250 -6.363 753 1HG2 ILE 96 HG21 ILE 96 127.830 0.527 -3.945 754 2HG2 ILE 96 HG23 ILE 96 128.686 0.569 -5.486 755 3HG2 ILE 96 HG22 ILE 96 127.157 -0.299 -5.350 756 1HD1 ILE 96 HD13 ILE 96 131.145 -0.782 -5.801 757 2HD1 ILE 96 HD12 ILE 96 130.729 -1.568 -7.325 758 3HD1 ILE 96 HD11 ILE 96 129.803 -0.173 -6.771 759 H ALA 97 HN ALA 97 130.284 1.331 -2.420 760 HA ALA 97 HA ALA 97 128.783 0.557 0.046 761 1HB ALA 97 HB3 ALA 97 131.050 2.462 -0.476 762 2HB ALA 97 HB2 ALA 97 129.991 2.719 0.911 763 3HB ALA 97 HB1 ALA 97 130.908 1.219 0.766 764 H GLY 98 HN GLY 98 128.957 2.848 -2.604 765 1HA GLY 98 HA2 GLY 98 126.323 3.630 -2.674 766 2HA GLY 98 HA1 GLY 98 127.009 4.694 -1.445 767 H GLY 99 HN GLY 99 127.506 6.703 -4.445 768 1HA GLY 99 HA2 GLY 99 125.934 6.288 -2.009 769 2HA GLY 99 HA1 GLY 99 125.690 7.567 -3.199 770 H ALA 100 HN ALA 100 123.385 7.107 -3.120 771 HA ALA 100 HA ALA 100 122.282 4.533 -3.759 772 1HB ALA 100 HB2 ALA 100 121.177 7.344 -3.940 773 2HB ALA 100 HB1 ALA 100 120.220 5.921 -4.353 774 3HB ALA 100 HB3 ALA 100 120.837 6.124 -2.713 775 H GLN 101 HN GLN 101 123.283 7.295 -5.729 776 HA GLN 101 HA GLN 101 122.179 6.347 -8.211 777 1HB GLN 101 HB2 GLN 101 124.401 8.276 -7.526 778 2HB GLN 101 HB1 GLN 101 123.986 7.894 -9.197 779 1HG GLN 101 HG2 GLN 101 121.712 8.669 -8.874 780 2HG GLN 101 HG1 GLN 101 121.992 8.896 -7.148 781 1HE2 GLN 101 HE22 GLN 101 123.750 11.557 -9.756 782 2HE2 GLN 101 HE21 GLN 101 123.430 9.976 -10.285 783 H ILE 102 HN ILE 102 125.212 5.753 -6.515 784 HA ILE 102 HA ILE 102 126.515 4.411 -8.728 785 HB ILE 102 HB ILE 102 127.058 4.112 -5.760 786 1HG1 ILE 102 HG12 ILE 102 127.087 6.489 -6.428 787 2HG1 ILE 102 HG11 ILE 102 128.717 5.919 -6.079 788 1HG2 ILE 102 HG21 ILE 102 128.778 3.670 -8.220 789 2HG2 ILE 102 HG23 ILE 102 129.352 3.570 -6.555 790 3HG2 ILE 102 HG22 ILE 102 128.153 2.418 -7.145 791 1HD1 ILE 102 HD13 ILE 102 128.445 5.369 -8.782 792 2HD1 ILE 102 HD12 ILE 102 127.584 6.898 -8.604 793 3HD1 ILE 102 HD11 ILE 102 129.271 6.774 -8.104 794 H PHE 103 HN PHE 103 124.482 3.377 -6.024 795 HA PHE 103 HA PHE 103 124.867 0.557 -6.320 796 1HB PHE 103 HB2 PHE 103 122.649 2.250 -5.175 797 2HB PHE 103 HB1 PHE 103 122.494 0.496 -5.264 798 HD1 PHE 103 HD1 PHE 103 125.079 -0.574 -4.656 799 HD2 PHE 103 HD2 PHE 103 123.171 2.899 -2.998 800 HE1 PHE 103 HE1 PHE 103 126.447 -0.804 -2.602 801 HE2 PHE 103 HE2 PHE 103 124.541 2.670 -0.944 802 HZ PHE 103 HZ PHE 103 126.177 0.818 -0.746 803 H THR 104 HN THR 104 122.662 2.843 -7.888 804 HA THR 104 HA THR 104 121.061 0.884 -9.249 805 HB THR 104 HB THR 104 121.679 3.671 -10.255 806 HG1 THR 104 HG1 THR 104 121.048 4.040 -8.221 807 1HG2 THR 104 HG23 THR 104 120.350 2.052 -11.670 808 2HG2 THR 104 HG22 THR 104 119.140 2.029 -10.388 809 3HG2 THR 104 HG21 THR 104 119.489 3.531 -11.243 810 H ALA 105 HN ALA 105 124.103 2.501 -10.049 811 HA ALA 105 HA ALA 105 124.261 1.622 -12.776 812 1HB ALA 105 HB1 ALA 105 125.697 3.388 -11.484 813 2HB ALA 105 HB3 ALA 105 126.695 2.001 -11.045 814 3HB ALA 105 HB2 ALA 105 126.467 2.421 -12.743 815 H PHE 106 HN PHE 106 125.342 0.182 -9.714 816 HA PHE 106 HA PHE 106 126.159 -2.266 -11.214 817 1HB PHE 106 HB2 PHE 106 126.741 -1.512 -8.334 818 2HB PHE 106 HB1 PHE 106 127.420 -2.879 -9.217 819 HD1 PHE 106 HD2 PHE 106 128.379 -2.077 -11.672 820 HD2 PHE 106 HD1 PHE 106 128.170 0.306 -8.103 821 HE1 PHE 106 HE2 PHE 106 130.188 -0.619 -12.539 822 HE2 PHE 106 HE1 PHE 106 129.979 1.763 -8.971 823 HZ PHE 106 HZ PHE 106 130.988 1.301 -11.189 824 H LYS 107 HN LYS 107 123.371 -1.637 -10.764 825 HA LYS 107 HA LYS 107 122.467 -3.290 -8.514 826 1HB LYS 107 HB2 LYS 107 121.237 -1.239 -9.354 827 2HB LYS 107 HB1 LYS 107 120.809 -2.170 -10.789 828 1HG LYS 107 HG2 LYS 107 119.777 -3.898 -9.304 829 2HG LYS 107 HG1 LYS 107 120.103 -2.852 -7.921 830 1HD LYS 107 HD2 LYS 107 118.612 -1.178 -8.696 831 2HD LYS 107 HD1 LYS 107 118.549 -1.870 -10.317 832 1HE LYS 107 HE2 LYS 107 117.168 -3.640 -9.649 833 2HE LYS 107 HE1 LYS 107 117.633 -3.491 -7.955 834 1HZ LYS 107 HZ3 LYS 107 116.017 -1.518 -9.476 835 2HZ LYS 107 HZ2 LYS 107 115.405 -2.636 -8.353 836 3HZ LYS 107 HZ1 LYS 107 116.449 -1.397 -7.841 837 H ASP 108 HN ASP 108 122.901 -3.619 -11.989 838 HA ASP 108 HA ASP 108 121.661 -6.322 -11.924 839 1HB ASP 108 HB2 ASP 108 122.466 -4.427 -14.122 840 2HB ASP 108 HB1 ASP 108 122.217 -6.138 -14.468 841 H ASP 109 HN ASP 109 124.210 -5.789 -10.591 842 HA ASP 109 HA ASP 109 125.764 -7.949 -11.808 843 1HB ASP 109 HB2 ASP 109 126.655 -5.080 -11.921 844 2HB ASP 109 HB1 ASP 109 127.858 -6.357 -11.739 845 H VAL 110 HN VAL 110 124.943 -8.588 -9.575 846 HA VAL 110 HA VAL 110 127.114 -8.279 -7.653 847 HB VAL 110 HB VAL 110 125.824 -6.215 -7.222 848 1HG1 VAL 110 HG12 VAL 110 123.539 -8.158 -6.796 849 2HG1 VAL 110 HG11 VAL 110 123.499 -6.471 -6.283 850 3HG1 VAL 110 HG13 VAL 110 123.632 -6.869 -7.995 851 1HG2 VAL 110 HG22 VAL 110 125.708 -8.410 -5.144 852 2HG2 VAL 110 HG21 VAL 110 126.875 -7.095 -5.277 853 3HG2 VAL 110 HG23 VAL 110 125.218 -6.756 -4.781 854 H ASP 111 HN ASP 111 127.134 -10.008 -6.212 855 HA ASP 111 HA ASP 111 124.857 -11.937 -6.448 856 1HB ASP 111 HB2 ASP 111 127.294 -12.483 -7.348 857 2HB ASP 111 HB1 ASP 111 127.604 -12.825 -5.646 858 H THR 112 HN THR 112 127.450 -10.787 -4.278 859 HA THR 112 HA THR 112 126.020 -11.896 -1.941 860 HB THR 112 HB THR 112 128.505 -10.187 -1.838 861 HG1 THR 112 HG1 THR 112 128.271 -12.947 -2.441 862 1HG2 THR 112 HG22 THR 112 127.303 -12.383 -0.142 863 2HG2 THR 112 HG21 THR 112 128.944 -11.782 0.090 864 3HG2 THR 112 HG23 THR 112 127.571 -10.699 0.308 865 H LEU 113 HN LEU 113 124.590 -10.692 -0.802 866 HA LEU 113 HA LEU 113 124.644 -7.725 -1.174 867 1HB LEU 113 HB2 LEU 113 122.339 -9.568 -0.474 868 2HB LEU 113 HB1 LEU 113 122.229 -7.810 -0.554 869 HG LEU 113 HG LEU 113 123.172 -9.510 -2.874 870 1HD1 LEU 113 HD11 LEU 113 120.406 -8.485 -2.185 871 2HD1 LEU 113 HD13 LEU 113 120.865 -9.027 -3.799 872 3HD1 LEU 113 HD12 LEU 113 120.891 -10.159 -2.448 873 1HD2 LEU 113 HD23 LEU 113 122.485 -6.613 -2.431 874 2HD2 LEU 113 HD22 LEU 113 123.892 -7.306 -3.235 875 3HD2 LEU 113 HD21 LEU 113 122.321 -7.321 -4.037 876 H LEU 114 HN LEU 114 125.948 -7.126 0.564 877 HA LEU 114 HA LEU 114 125.416 -8.241 3.246 878 1HB LEU 114 HB2 LEU 114 127.382 -6.115 2.333 879 2HB LEU 114 HB1 LEU 114 127.328 -6.840 3.941 880 HG LEU 114 HG LEU 114 127.479 -8.706 1.622 881 1HD1 LEU 114 HD13 LEU 114 129.113 -6.873 1.097 882 2HD1 LEU 114 HD12 LEU 114 129.899 -7.190 2.644 883 3HD1 LEU 114 HD11 LEU 114 129.881 -8.433 1.391 884 1HD2 LEU 114 HD21 LEU 114 127.419 -9.201 4.189 885 2HD2 LEU 114 HD23 LEU 114 128.562 -10.089 3.183 886 3HD2 LEU 114 HD22 LEU 114 129.116 -8.723 4.150 887 H VAL 115 HN VAL 115 123.910 -7.323 4.546 888 HA VAL 115 HA VAL 115 123.477 -4.382 4.366 889 HB VAL 115 HB VAL 115 121.715 -5.480 3.028 890 1HG1 VAL 115 HG12 VAL 115 121.851 -7.628 4.446 891 2HG1 VAL 115 HG11 VAL 115 120.767 -6.806 5.568 892 3HG1 VAL 115 HG13 VAL 115 120.250 -7.117 3.912 893 1HG2 VAL 115 HG22 VAL 115 121.205 -3.432 4.374 894 2HG2 VAL 115 HG21 VAL 115 119.794 -4.462 4.133 895 3HG2 VAL 115 HG23 VAL 115 120.639 -4.474 5.680 896 H THR 116 HN THR 116 122.957 -3.414 6.349 897 HA THR 116 HA THR 116 123.239 -5.194 8.729 898 HB THR 116 HB THR 116 123.507 -2.177 8.621 899 HG1 THR 116 HG1 THR 116 125.713 -2.563 8.493 900 1HG2 THR 116 HG22 THR 116 123.059 -3.162 10.839 901 2HG2 THR 116 HG21 THR 116 124.431 -4.251 10.629 902 3HG2 THR 116 HG23 THR 116 124.696 -2.512 10.750 903 H ARG 117 HN ARG 117 121.250 -5.762 9.479 904 HA ARG 117 HA ARG 117 118.941 -3.973 9.160 905 1HB ARG 117 HB2 ARG 117 119.373 -6.769 10.155 906 2HB ARG 117 HB1 ARG 117 117.896 -5.920 10.612 907 1HG ARG 117 HG2 ARG 117 117.069 -5.927 8.475 908 2HG ARG 117 HG1 ARG 117 118.666 -5.764 7.745 909 1HD ARG 117 HD2 ARG 117 119.014 -8.026 7.675 910 2HD ARG 117 HD1 ARG 117 118.143 -8.310 9.182 911 HE ARG 117 HE ARG 117 116.997 -8.360 6.505 912 1HH1 ARG 117 HH11 ARG 117 116.346 -7.796 9.895 913 2HH1 ARG 117 HH12 ARG 117 114.664 -8.164 9.736 914 1HH2 ARG 117 HH21 ARG 117 114.815 -8.826 6.346 915 2HH2 ARG 117 HH22 ARG 117 113.804 -8.740 7.750 916 H LEU 118 HN LEU 118 118.891 -2.260 10.551 917 HA LEU 118 HA LEU 118 119.948 -2.505 13.282 918 1HB LEU 118 HB2 LEU 118 119.114 -0.326 11.482 919 2HB LEU 118 HB1 LEU 118 118.657 -0.064 13.165 920 HG LEU 118 HG LEU 118 121.155 -0.884 13.597 921 1HD1 LEU 118 HD11 LEU 118 121.486 -1.284 11.124 922 2HD1 LEU 118 HD13 LEU 118 121.355 0.459 10.888 923 3HD1 LEU 118 HD12 LEU 118 122.676 -0.204 11.850 924 1HD2 LEU 118 HD21 LEU 118 119.994 1.376 14.058 925 2HD2 LEU 118 HD23 LEU 118 121.748 1.401 13.869 926 3HD2 LEU 118 HD22 LEU 118 120.709 1.912 12.539 927 H ALA 119 HN ALA 119 118.218 -1.083 14.835 928 HA ALA 119 HA ALA 119 115.632 -2.577 14.645 929 1HB ALA 119 HB3 ALA 119 117.440 -2.147 17.026 930 2HB ALA 119 HB2 ALA 119 115.723 -2.501 17.226 931 3HB ALA 119 HB1 ALA 119 116.775 -3.662 16.415 932 H GLY 120 HN GLY 120 117.263 0.211 16.186 933 1HA GLY 120 HA2 GLY 120 114.873 1.598 16.914 934 2HA GLY 120 HA1 GLY 120 116.452 2.354 16.695 935 H SER 121 HN SER 121 113.711 3.228 15.820 936 HA SER 121 HA SER 121 113.827 3.061 12.881 937 1HB SER 121 HB2 SER 121 111.967 4.610 14.710 938 2HB SER 121 HB1 SER 121 111.776 4.440 12.967 939 HG SER 121 HG SER 121 110.607 2.912 14.414 940 H PHE 122 HN PHE 122 114.134 4.916 11.523 941 HA PHE 122 HA PHE 122 115.046 7.428 12.783 942 1HB PHE 122 HB2 PHE 122 116.818 5.836 10.903 943 2HB PHE 122 HB1 PHE 122 117.184 7.425 11.574 944 HD1 PHE 122 HD1 PHE 122 117.468 7.690 14.062 945 HD2 PHE 122 HD2 PHE 122 117.158 3.843 12.176 946 HE1 PHE 122 HE1 PHE 122 118.412 6.619 16.090 947 HE2 PHE 122 HE2 PHE 122 118.102 2.773 14.205 948 HZ PHE 122 HZ PHE 122 118.729 4.161 16.162 949 H GLU 123 HN GLU 123 113.962 8.965 11.670 950 HA GLU 123 HA GLU 123 113.052 8.427 8.914 951 1HB GLU 123 HB2 GLU 123 111.859 10.612 9.183 952 2HB GLU 123 HB1 GLU 123 111.448 9.444 10.441 953 1HG GLU 123 HG2 GLU 123 112.770 10.542 12.060 954 2HG GLU 123 HG1 GLU 123 113.674 11.440 10.840 955 H GLY 124 HN GLY 124 113.708 9.650 7.110 956 1HA GLY 124 HA2 GLY 124 115.567 11.883 7.376 957 2HA GLY 124 HA1 GLY 124 116.338 10.411 6.785 958 H ASP 125 HN ASP 125 116.600 10.675 4.618 959 HA ASP 125 HA ASP 125 114.182 11.171 2.979 960 1HB ASP 125 HB2 ASP 125 116.689 12.862 2.925 961 2HB ASP 125 HB1 ASP 125 115.579 12.785 1.557 962 H THR 126 HN THR 126 117.695 10.530 2.948 963 HA THR 126 HA THR 126 117.643 9.245 0.351 964 HB THR 126 HB THR 126 119.728 8.814 2.498 965 HG1 THR 126 HG1 THR 126 120.037 10.875 2.400 966 1HG2 THR 126 HG22 THR 126 119.663 7.568 0.223 967 2HG2 THR 126 HG21 THR 126 120.126 9.122 -0.472 968 3HG2 THR 126 HG23 THR 126 121.177 8.335 0.706 969 H LYS 127 HN LYS 127 116.598 7.347 0.034 970 HA LYS 127 HA LYS 127 116.654 5.320 2.235 971 1HB LYS 127 HB2 LYS 127 114.605 5.900 0.089 972 2HB LYS 127 HB1 LYS 127 114.616 4.384 0.990 973 1HG LYS 127 HG2 LYS 127 114.633 5.824 3.112 974 2HG LYS 127 HG1 LYS 127 114.226 7.182 2.062 975 1HD LYS 127 HD2 LYS 127 112.282 5.804 1.200 976 2HD LYS 127 HD1 LYS 127 112.626 4.647 2.486 977 1HE LYS 127 HE2 LYS 127 110.996 6.054 3.443 978 2HE LYS 127 HE1 LYS 127 112.513 6.697 4.073 979 1HZ LYS 127 HZ3 LYS 127 112.482 8.254 2.127 980 2HZ LYS 127 HZ2 LYS 127 110.887 7.748 1.830 981 3HZ LYS 127 HZ1 LYS 127 111.276 8.525 3.289 982 H MET 128 HN MET 128 116.710 3.034 1.457 983 HA MET 128 HA MET 128 118.735 2.727 -0.634 984 1HB MET 128 HB2 MET 128 118.663 1.362 1.495 985 2HB MET 128 HB1 MET 128 117.236 0.550 0.849 986 1HG MET 128 HG2 MET 128 119.140 -0.816 0.292 987 2HG MET 128 HG1 MET 128 118.610 -0.032 -1.196 988 1HE MET 128 HE3 MET 128 120.839 -1.357 -1.266 989 2HE MET 128 HE2 MET 128 121.470 -0.180 -2.414 990 3HE MET 128 HE1 MET 128 122.437 -0.642 -1.016 991 H ILE 129 HN ILE 129 118.438 1.548 -2.594 992 HA ILE 129 HA ILE 129 115.913 1.951 -3.904 993 HB ILE 129 HB ILE 129 116.928 0.558 -5.727 994 1HG1 ILE 129 HG12 ILE 129 119.408 0.447 -4.015 995 2HG1 ILE 129 HG11 ILE 129 118.210 -0.845 -3.944 996 1HG2 ILE 129 HG21 ILE 129 117.418 3.059 -5.264 997 2HG2 ILE 129 HG23 ILE 129 118.979 2.500 -4.665 998 3HG2 ILE 129 HG22 ILE 129 118.518 2.197 -6.340 999 1HD1 ILE 129 HD11 ILE 129 119.508 0.133 -6.503 1000 2HD1 ILE 129 HD13 ILE 129 120.040 -1.286 -5.600 1001 3HD1 ILE 129 HD12 ILE 129 118.434 -1.255 -6.329 1002 HA PRO 130 HA PRO 130 113.764 -1.829 -2.978 1003 1HB PRO 130 HB2 PRO 130 112.453 -2.193 -5.425 1004 2HB PRO 130 HB1 PRO 130 111.895 -1.174 -4.091 1005 1HG PRO 130 HG2 PRO 130 112.833 -0.358 -6.671 1006 2HG PRO 130 HG1 PRO 130 112.243 0.655 -5.346 1007 1HD PRO 130 HD2 PRO 130 114.994 0.168 -6.202 1008 2HD PRO 130 HD1 PRO 130 114.366 1.408 -5.105 1009 H LEU 131 HN LEU 131 115.261 -3.512 -2.821 1010 HA LEU 131 HA LEU 131 116.335 -4.720 -5.306 1011 1HB LEU 131 HB2 LEU 131 116.904 -5.183 -2.367 1012 2HB LEU 131 HB1 LEU 131 117.617 -6.158 -3.653 1013 HG LEU 131 HG LEU 131 117.802 -3.167 -3.811 1014 1HD1 LEU 131 HD12 LEU 131 118.556 -3.760 -1.529 1015 2HD1 LEU 131 HD11 LEU 131 119.656 -4.957 -2.211 1016 3HD1 LEU 131 HD13 LEU 131 119.908 -3.243 -2.538 1017 1HD2 LEU 131 HD22 LEU 131 118.508 -4.621 -5.702 1018 2HD2 LEU 131 HD21 LEU 131 119.865 -3.724 -5.020 1019 3HD2 LEU 131 HD23 LEU 131 119.650 -5.431 -4.630 1020 H ASN 132 HN ASN 132 115.830 -6.831 -5.950 1021 HA ASN 132 HA ASN 132 113.268 -7.878 -5.007 1022 1HB ASN 132 HB2 ASN 132 114.305 -7.919 -7.427 1023 2HB ASN 132 HB1 ASN 132 115.095 -9.387 -6.853 1024 1HD2 ASN 132 HD22 ASN 132 112.188 -11.213 -7.624 1025 2HD2 ASN 132 HD21 ASN 132 113.875 -11.080 -7.742 1026 H TRP 133 HN TRP 133 113.137 -9.150 -3.232 1027 HA TRP 133 HA TRP 133 115.539 -10.623 -2.315 1028 1HB TRP 133 HB2 TRP 133 112.835 -10.213 -1.004 1029 2HB TRP 133 HB1 TRP 133 114.220 -11.010 -0.258 1030 HD1 TRP 133 HD1 TRP 133 112.797 -7.623 -1.062 1031 HE1 TRP 133 HE1 TRP 133 114.348 -5.790 -0.125 1032 HE3 TRP 133 HE3 TRP 133 116.827 -10.468 0.260 1033 HZ2 TRP 133 HZ2 TRP 133 116.954 -5.561 1.033 1034 HZ3 TRP 133 HZ3 TRP 133 118.828 -9.418 1.276 1035 HH2 TRP 133 HH2 TRP 133 118.897 -6.970 1.664 1036 H ASP 134 HN ASP 134 113.268 -11.346 -4.524 1037 HA ASP 134 HA ASP 134 112.492 -13.999 -3.515 1038 1HB ASP 134 HB2 ASP 134 111.982 -12.526 -6.111 1039 2HB ASP 134 HB1 ASP 134 111.445 -14.182 -5.828 1040 H ASP 135 HN ASP 135 114.850 -12.569 -5.687 1041 HA ASP 135 HA ASP 135 115.719 -15.258 -6.603 1042 1HB ASP 135 HB2 ASP 135 116.723 -12.509 -7.410 1043 2HB ASP 135 HB1 ASP 135 117.141 -14.040 -8.183 1044 H PHE 136 HN PHE 136 116.111 -14.605 -3.839 1045 HA PHE 136 HA PHE 136 119.046 -14.905 -3.711 1046 1HB PHE 136 HB2 PHE 136 117.516 -12.638 -2.424 1047 2HB PHE 136 HB1 PHE 136 119.076 -13.179 -1.805 1048 HD1 PHE 136 HD1 PHE 136 121.119 -13.001 -3.197 1049 HD2 PHE 136 HD2 PHE 136 117.338 -11.454 -4.525 1050 HE1 PHE 136 HE1 PHE 136 122.275 -11.677 -4.947 1051 HE2 PHE 136 HE2 PHE 136 118.494 -10.130 -6.274 1052 HZ PHE 136 HZ PHE 136 120.963 -10.241 -6.485 1053 H THR 137 HN THR 137 119.707 -15.514 -1.428 1054 HA THR 137 HA THR 137 117.497 -16.609 0.220 1055 HB THR 137 HB THR 137 119.836 -18.377 -0.485 1056 HG1 THR 137 HG1 THR 137 117.325 -18.242 -1.795 1057 1HG2 THR 137 HG23 THR 137 117.089 -18.720 0.708 1058 2HG2 THR 137 HG22 THR 137 117.966 -20.090 0.028 1059 3HG2 THR 137 HG21 THR 137 118.647 -19.192 1.384 1060 H LYS 138 HN LYS 138 118.293 -17.283 2.385 1061 HA LYS 138 HA LYS 138 120.551 -15.553 3.235 1062 1HB LYS 138 HB2 LYS 138 118.113 -15.839 4.338 1063 2HB LYS 138 HB1 LYS 138 118.962 -17.115 5.214 1064 1HG LYS 138 HG2 LYS 138 120.404 -15.631 6.258 1065 2HG LYS 138 HG1 LYS 138 120.284 -14.440 4.961 1066 1HD LYS 138 HD2 LYS 138 119.088 -13.551 6.854 1067 2HD LYS 138 HD1 LYS 138 117.885 -14.054 5.666 1068 1HE LYS 138 HE2 LYS 138 118.095 -16.359 7.025 1069 2HE LYS 138 HE1 LYS 138 118.544 -15.247 8.317 1070 1HZ LYS 138 HZ2 LYS 138 116.500 -13.953 7.685 1071 2HZ LYS 138 HZ1 LYS 138 116.040 -15.286 6.736 1072 3HZ LYS 138 HZ3 LYS 138 116.220 -15.463 8.414 1073 H VAL 139 HN VAL 139 122.487 -16.409 3.845 1074 HA VAL 139 HA VAL 139 122.627 -19.369 4.255 1075 HB VAL 139 HB VAL 139 123.655 -18.703 2.111 1076 1HG1 VAL 139 HG12 VAL 139 124.216 -16.366 2.842 1077 2HG1 VAL 139 HG11 VAL 139 125.547 -17.031 3.788 1078 3HG1 VAL 139 HG13 VAL 139 125.548 -17.193 2.033 1079 1HG2 VAL 139 HG22 VAL 139 125.626 -19.493 4.279 1080 2HG2 VAL 139 HG21 VAL 139 124.663 -20.583 3.282 1081 3HG2 VAL 139 HG23 VAL 139 125.948 -19.621 2.551 1082 H SER 140 HN SER 140 124.040 -16.211 5.088 1083 HA SER 140 HA SER 140 124.811 -17.367 7.729 1084 1HB SER 140 HB2 SER 140 126.515 -15.617 5.938 1085 2HB SER 140 HB1 SER 140 126.877 -15.921 7.635 1086 HG SER 140 HG SER 140 127.043 -18.112 7.162 1087 H SER 141 HN SER 141 124.694 -15.868 9.467 1088 HA SER 141 HA SER 141 124.076 -13.063 9.047 1089 1HB SER 141 HB2 SER 141 121.887 -13.887 8.441 1090 2HB SER 141 HB1 SER 141 121.853 -14.969 9.830 1091 HG SER 141 HG SER 141 121.175 -13.363 10.991 1092 H ARG 142 HN ARG 142 124.524 -11.950 10.922 1093 HA ARG 142 HA ARG 142 124.780 -13.553 13.435 1094 1HB ARG 142 HB2 ARG 142 126.958 -12.775 12.188 1095 2HB ARG 142 HB1 ARG 142 126.560 -11.198 12.871 1096 1HG ARG 142 HG2 ARG 142 127.880 -12.102 14.565 1097 2HG ARG 142 HG1 ARG 142 126.266 -12.568 15.103 1098 1HD ARG 142 HD2 ARG 142 126.536 -14.777 14.063 1099 2HD ARG 142 HD1 ARG 142 128.134 -14.316 13.475 1100 HE ARG 142 HE ARG 142 127.495 -15.165 16.175 1101 1HH1 ARG 142 HH21 ARG 142 129.602 -13.124 14.269 1102 2HH1 ARG 142 HH22 ARG 142 130.864 -13.153 15.450 1103 1HH2 ARG 142 HH11 ARG 142 129.153 -15.173 17.676 1104 2HH2 ARG 142 HH12 ARG 142 130.615 -14.300 17.360 1105 H THR 143 HN THR 143 123.748 -12.676 15.174 1106 HA THR 143 HA THR 143 122.486 -10.001 14.813 1107 HB THR 143 HB THR 143 121.885 -11.959 17.032 1108 HG1 THR 143 HG1 THR 143 121.506 -13.172 15.273 1109 1HG2 THR 143 HG21 THR 143 121.026 -9.593 17.093 1110 2HG2 THR 143 HG23 THR 143 120.146 -9.934 15.604 1111 3HG2 THR 143 HG22 THR 143 119.758 -10.818 17.080 1112 H VAL 144 HN VAL 144 123.281 -8.296 15.940 1113 HA VAL 144 HA VAL 144 125.027 -8.870 18.303 1114 HB VAL 144 HB VAL 144 125.234 -6.517 16.400 1115 1HG1 VAL 144 HG12 VAL 144 126.817 -7.479 18.783 1116 2HG1 VAL 144 HG11 VAL 144 127.541 -6.430 17.565 1117 3HG1 VAL 144 HG13 VAL 144 126.145 -5.875 18.488 1118 1HG2 VAL 144 HG23 VAL 144 125.817 -8.673 15.308 1119 2HG2 VAL 144 HG22 VAL 144 127.234 -7.645 15.524 1120 3HG2 VAL 144 HG21 VAL 144 126.959 -9.007 16.611 1121 H GLU 145 HN GLU 145 124.000 -8.249 20.133 1122 HA GLU 145 HA GLU 145 121.938 -6.122 20.005 1123 1HB GLU 145 HB2 GLU 145 122.734 -8.139 22.113 1124 2HB GLU 145 HB1 GLU 145 121.610 -6.823 22.454 1125 1HG GLU 145 HG2 GLU 145 119.995 -7.643 20.967 1126 2HG GLU 145 HG1 GLU 145 121.171 -8.598 20.064 1127 H ASP 146 HN ASP 146 122.435 -4.069 20.579 1128 HA ASP 146 HA ASP 146 125.050 -3.522 21.848 1129 1HB ASP 146 HB2 ASP 146 123.774 -2.246 19.840 1130 2HB ASP 146 HB1 ASP 146 123.173 -1.305 21.206 1131 H THR 147 HN THR 147 124.686 -1.336 23.355 1132 HA THR 147 HA THR 147 123.554 -2.320 25.788 1133 HB THR 147 HB THR 147 123.836 0.051 26.579 1134 HG1 THR 147 HG1 THR 147 123.398 1.138 24.686 1135 1HG2 THR 147 HG21 THR 147 126.070 -1.325 25.082 1136 2HG2 THR 147 HG23 THR 147 126.340 0.112 26.068 1137 3HG2 THR 147 HG22 THR 147 125.736 -1.368 26.813 1138 H ASN 148 HN ASN 148 122.325 0.023 23.395 1139 HA ASN 148 HA ASN 148 119.715 0.074 24.818 1140 1HB ASN 148 HB2 ASN 148 120.994 1.771 22.685 1141 2HB ASN 148 HB1 ASN 148 119.245 1.804 22.909 1142 1HD2 ASN 148 HD22 ASN 148 119.631 4.148 25.501 1143 2HD2 ASN 148 HD21 ASN 148 118.811 3.684 24.090 1144 HA PRO 149 HA PRO 149 117.693 -2.464 21.771 1145 1HB PRO 149 HB2 PRO 149 115.206 -1.184 21.700 1146 2HB PRO 149 HB1 PRO 149 115.709 -2.403 22.878 1147 1HG PRO 149 HG2 PRO 149 115.206 0.382 23.319 1148 2HG PRO 149 HG1 PRO 149 115.674 -0.850 24.499 1149 1HD PRO 149 HD2 PRO 149 117.318 1.219 23.251 1150 2HD PRO 149 HD1 PRO 149 117.676 0.200 24.655 1151 H ALA 150 HN ALA 150 117.636 1.013 21.256 1152 HA ALA 150 HA ALA 150 116.724 0.826 18.487 1153 1HB ALA 150 HB2 ALA 150 117.756 3.036 20.251 1154 2HB ALA 150 HB1 ALA 150 117.596 3.287 18.512 1155 3HB ALA 150 HB3 ALA 150 116.178 2.880 19.479 1156 H LEU 151 HN LEU 151 119.790 0.652 20.140 1157 HA LEU 151 HA LEU 151 121.292 1.152 17.635 1158 1HB LEU 151 HB2 LEU 151 122.198 0.610 20.476 1159 2HB LEU 151 HB1 LEU 151 123.295 0.874 19.120 1160 HG LEU 151 HG LEU 151 121.129 2.855 19.841 1161 1HD1 LEU 151 HD11 LEU 151 122.801 2.395 21.731 1162 2HD1 LEU 151 HD13 LEU 151 124.034 3.056 20.657 1163 3HD1 LEU 151 HD12 LEU 151 122.686 4.066 21.180 1164 1HD2 LEU 151 HD22 LEU 151 123.672 2.940 18.192 1165 2HD2 LEU 151 HD21 LEU 151 122.017 3.128 17.613 1166 3HD2 LEU 151 HD23 LEU 151 122.745 4.378 18.619 1167 H THR 152 HN THR 152 119.558 -1.319 18.184 1168 HA THR 152 HA THR 152 121.533 -3.494 18.312 1169 HB THR 152 HB THR 152 118.587 -3.683 17.625 1170 HG1 THR 152 HG1 THR 152 118.186 -3.367 19.651 1171 1HG2 THR 152 HG21 THR 152 120.387 -5.607 17.342 1172 2HG2 THR 152 HG23 THR 152 120.181 -5.751 19.087 1173 3HG2 THR 152 HG22 THR 152 118.795 -5.956 18.016 1174 H HIS 153 HN HIS 153 122.308 -4.623 16.542 1175 HA HIS 153 HA HIS 153 121.127 -4.030 13.874 1176 1HB HIS 153 HB2 HIS 153 123.444 -3.778 12.947 1177 2HB HIS 153 HB1 HIS 153 122.998 -2.489 14.065 1178 HD1 HIS 153 HD1 HIS 153 123.723 -3.161 16.715 1179 HD2 HIS 153 HD2 HIS 153 125.903 -4.839 13.583 1180 HE1 HIS 153 HE1 HIS 153 125.922 -3.932 17.705 1181 H THR 154 HN THR 154 121.645 -5.662 12.267 1182 HA THR 154 HA THR 154 122.888 -8.156 13.308 1183 HB THR 154 HB THR 154 120.203 -8.085 11.898 1184 HG1 THR 154 HG1 THR 154 119.407 -8.683 13.937 1185 1HG2 THR 154 HG22 THR 154 122.016 -10.101 11.899 1186 2HG2 THR 154 HG21 THR 154 121.154 -10.460 13.396 1187 3HG2 THR 154 HG23 THR 154 120.273 -10.366 11.871 1188 H TYR 155 HN TYR 155 124.497 -8.540 11.869 1189 HA TYR 155 HA TYR 155 124.450 -7.496 9.160 1190 1HB TYR 155 HB2 TYR 155 126.299 -9.538 10.434 1191 2HB TYR 155 HB1 TYR 155 126.583 -8.704 8.906 1192 HD1 TYR 155 HD2 TYR 155 126.424 -6.063 9.018 1193 HD2 TYR 155 HD1 TYR 155 127.170 -8.613 12.393 1194 HE1 TYR 155 HE2 TYR 155 127.418 -4.150 10.243 1195 HE2 TYR 155 HE1 TYR 155 128.165 -6.700 13.619 1196 HH TYR 155 HH TYR 155 129.294 -4.488 12.967 1197 H GLU 156 HN GLU 156 123.537 -8.452 7.416 1198 HA GLU 156 HA GLU 156 122.997 -11.394 7.542 1199 1HB GLU 156 HB2 GLU 156 121.270 -9.129 6.537 1200 2HB GLU 156 HB1 GLU 156 121.020 -10.789 5.993 1201 1HG GLU 156 HG2 GLU 156 121.108 -11.297 8.598 1202 2HG GLU 156 HG1 GLU 156 120.626 -9.605 8.715 1203 H VAL 157 HN VAL 157 123.676 -12.554 5.776 1204 HA VAL 157 HA VAL 157 124.794 -10.990 3.479 1205 HB VAL 157 HB VAL 157 125.639 -13.741 4.437 1206 1HG1 VAL 157 HG11 VAL 157 125.954 -12.984 1.979 1207 2HG1 VAL 157 HG13 VAL 157 127.146 -11.857 2.626 1208 3HG1 VAL 157 HG12 VAL 157 127.370 -13.593 2.835 1209 1HG2 VAL 157 HG23 VAL 157 126.821 -10.991 4.919 1210 2HG2 VAL 157 HG22 VAL 157 126.254 -12.136 6.135 1211 3HG2 VAL 157 HG21 VAL 157 127.705 -12.491 5.198 1212 H TRP 158 HN TRP 158 122.915 -11.057 2.188 1213 HA TRP 158 HA TRP 158 121.571 -13.621 1.677 1214 1HB TRP 158 HB2 TRP 158 121.190 -10.823 0.581 1215 2HB TRP 158 HB1 TRP 158 120.243 -12.206 0.033 1216 HD1 TRP 158 HD1 TRP 158 121.092 -10.361 3.319 1217 HE1 TRP 158 HE1 TRP 158 119.073 -10.578 4.907 1218 HE3 TRP 158 HE3 TRP 158 118.078 -13.378 0.509 1219 HZ2 TRP 158 HZ2 TRP 158 116.518 -11.861 4.977 1220 HZ3 TRP 158 HZ3 TRP 158 115.859 -14.081 1.359 1221 HH2 TRP 158 HH2 TRP 158 115.076 -13.327 3.587 1222 H GLN 159 HN GLN 159 122.112 -14.986 0.044 1223 HA GLN 159 HA GLN 159 123.988 -13.970 -2.056 1224 1HB GLN 159 HB2 GLN 159 123.770 -16.571 -0.593 1225 2HB GLN 159 HB1 GLN 159 124.338 -16.603 -2.262 1226 1HG GLN 159 HG2 GLN 159 125.881 -14.617 -1.442 1227 2HG GLN 159 HG1 GLN 159 125.598 -15.336 0.143 1228 1HE2 GLN 159 HE22 GLN 159 127.264 -18.440 -0.761 1229 2HE2 GLN 159 HE21 GLN 159 125.912 -17.887 0.105 1230 H LYS 160 HN LYS 160 123.674 -14.868 -4.227 1231 HA LYS 160 HA LYS 160 120.847 -15.027 -4.936 1232 1HB LYS 160 HB2 LYS 160 122.681 -13.908 -6.321 1233 2HB LYS 160 HB1 LYS 160 123.208 -15.533 -6.760 1234 1HG LYS 160 HG2 LYS 160 121.294 -15.971 -7.997 1235 2HG LYS 160 HG1 LYS 160 120.311 -14.837 -7.072 1236 1HD LYS 160 HD2 LYS 160 121.756 -12.983 -8.085 1237 2HD LYS 160 HD1 LYS 160 122.363 -14.207 -9.199 1238 1HE LYS 160 HE2 LYS 160 120.311 -14.458 -10.260 1239 2HE LYS 160 HE1 LYS 160 119.401 -13.919 -8.849 1240 1HZ LYS 160 HZ3 LYS 160 121.196 -12.097 -10.330 1241 2HZ LYS 160 HZ2 LYS 160 119.578 -12.325 -10.795 1242 3HZ LYS 160 HZ1 LYS 160 119.944 -11.701 -9.258 1243 H LYS 161 HN LYS 161 119.783 -16.849 -5.825 1244 HA LYS 161 HA LYS 161 121.077 -19.452 -5.164 1245 1HB LYS 161 HB2 LYS 161 118.719 -20.343 -5.324 1246 2HB LYS 161 HB1 LYS 161 118.958 -19.153 -4.045 1247 1HG LYS 161 HG2 LYS 161 117.732 -17.527 -5.136 1248 2HG LYS 161 HG1 LYS 161 118.120 -18.158 -6.736 1249 1HD LYS 161 HD2 LYS 161 115.826 -18.691 -6.409 1250 2HD LYS 161 HD1 LYS 161 116.692 -20.197 -6.101 1251 1HE LYS 161 HE2 LYS 161 115.341 -20.136 -4.224 1252 2HE LYS 161 HE1 LYS 161 116.739 -19.251 -3.614 1253 1HZ LYS 161 HZ1 LYS 161 114.309 -18.030 -4.809 1254 2HZ LYS 161 HZ3 LYS 161 114.674 -18.081 -3.154 1255 3HZ LYS 161 HZ2 LYS 161 115.654 -17.182 -4.211 1256 H ALA 162 HN ALA 162 119.738 -17.574 -7.801 1257 HA ALA 162 HA ALA 162 119.553 -19.776 -9.681 1258 1HB ALA 162 HB3 ALA 162 118.470 -17.367 -9.741 1259 2HB ALA 162 HB2 ALA 162 119.971 -16.939 -10.562 1260 3HB ALA 162 HB1 ALA 162 118.913 -18.175 -11.245 1261 1HN2 MTX 170 1HN2 MTX 170 128.551 -1.337 7.915 1262 2HN2 MTX 170 2HN2 MTX 170 128.360 -1.839 6.305 1263 1HN4 MTX 170 1HN4 MTX 170 128.507 1.258 2.742 1264 2HN4 MTX 170 2HN4 MTX 170 128.755 2.908 3.058 1265 H7 MTX 170 H7 MTX 170 129.511 5.550 8.274 1266 1H9 MTX 170 H91 MTX 170 128.489 6.869 5.340 1267 2H9 MTX 170 H92 MTX 170 130.168 6.540 4.897 1268 1HM MTX 170 HM1 MTX 170 128.695 8.371 8.145 1269 2HM MTX 170 HM2 MTX 170 128.200 8.584 6.439 1270 3HM MTX 170 HM3 MTX 170 129.630 9.454 7.070 1271 H12 MTX 170 H13 MTX 170 132.777 7.791 10.341 1272 H13 MTX 170 H12 MTX 170 130.552 8.110 9.257 1273 H15 MTX 170 H16 MTX 170 132.080 6.314 5.616 1274 H16 MTX 170 H15 MTX 170 134.302 6.001 6.711 1275 HN MTX 170 HN MTX 170 135.202 4.869 8.318 1276 HA MTX 170 HA MTX 170 137.425 6.227 9.640 1277 1HB MTX 170 HB1 MTX 170 137.690 4.086 11.171 1278 2HB MTX 170 HB2 MTX 170 135.989 3.816 10.823 1279 1HG MTX 170 HG1 MTX 170 135.413 6.057 11.715 1280 2HG MTX 170 HG2 MTX 170 137.117 6.449 11.927 1281 HN1 MTX 170 H1N MTX 170 128.893 0.900 8.424 No H/Q in entry = 1281 Start of MODEL 13 1 1H THR 1 HT2 THR 1 131.573 -8.946 -7.194 2 2H THR 1 HT1 THR 1 132.136 -7.857 -8.371 3 3H THR 1 HT3 THR 1 132.795 -7.829 -6.809 4 HA THR 1 HA THR 1 131.342 -6.015 -6.856 5 HB THR 1 HB THR 1 130.156 -6.553 -8.911 6 HG1 THR 1 HG1 THR 1 128.856 -5.240 -7.863 7 1HG2 THR 1 HG23 THR 1 130.056 -9.011 -8.521 8 2HG2 THR 1 HG22 THR 1 128.797 -8.742 -7.317 9 3HG2 THR 1 HG21 THR 1 128.499 -8.343 -9.008 10 H ALA 2 HN ALA 2 130.402 -5.545 -4.899 11 HA ALA 2 HA ALA 2 128.842 -7.568 -3.447 12 1HB ALA 2 HB1 ALA 2 131.226 -8.128 -2.918 13 2HB ALA 2 HB3 ALA 2 131.421 -6.505 -2.255 14 3HB ALA 2 HB2 ALA 2 130.301 -7.638 -1.500 15 H PHE 3 HN PHE 3 127.127 -6.226 -3.069 16 HA PHE 3 HA PHE 3 127.387 -3.395 -2.535 17 1HB PHE 3 HB2 PHE 3 125.164 -5.404 -2.481 18 2HB PHE 3 HB1 PHE 3 124.917 -3.861 -1.670 19 HD1 PHE 3 HD2 PHE 3 126.807 -4.709 -4.803 20 HD2 PHE 3 HD1 PHE 3 123.523 -2.574 -3.038 21 HE1 PHE 3 HE2 PHE 3 126.337 -3.629 -6.983 22 HE2 PHE 3 HE1 PHE 3 123.051 -1.496 -5.220 23 HZ PHE 3 HZ PHE 3 124.457 -2.024 -7.193 24 H LEU 4 HN LEU 4 127.249 -2.312 -0.533 25 HA LEU 4 HA LEU 4 127.001 -3.913 1.941 26 1HB LEU 4 HB2 LEU 4 129.427 -3.959 1.324 27 2HB LEU 4 HB1 LEU 4 129.442 -2.197 1.399 28 HG LEU 4 HG LEU 4 128.411 -2.592 3.797 29 1HD1 LEU 4 HD12 LEU 4 129.521 -5.252 2.986 30 2HD1 LEU 4 HD11 LEU 4 129.731 -4.729 4.656 31 3HD1 LEU 4 HD13 LEU 4 128.111 -4.884 3.979 32 1HD2 LEU 4 HD23 LEU 4 130.763 -1.730 2.994 33 2HD2 LEU 4 HD22 LEU 4 130.550 -2.221 4.674 34 3HD2 LEU 4 HD21 LEU 4 131.317 -3.317 3.525 35 H TRP 5 HN TRP 5 125.442 -2.763 2.990 36 HA TRP 5 HA TRP 5 125.932 0.071 3.572 37 1HB TRP 5 HB2 TRP 5 123.855 0.910 2.659 38 2HB TRP 5 HB1 TRP 5 124.708 0.066 1.371 39 HD1 TRP 5 HD1 TRP 5 121.439 0.249 3.020 40 HE1 TRP 5 HE1 TRP 5 119.941 -1.733 2.337 41 HE3 TRP 5 HE3 TRP 5 124.917 -2.775 0.813 42 HZ2 TRP 5 HZ2 TRP 5 120.180 -4.262 1.031 43 HZ3 TRP 5 HZ3 TRP 5 124.253 -4.963 -0.139 44 HH2 TRP 5 HH2 TRP 5 121.891 -5.710 -0.033 45 H ALA 6 HN ALA 6 124.163 0.903 5.104 46 HA ALA 6 HA ALA 6 123.054 -1.345 6.737 47 1HB ALA 6 HB1 ALA 6 125.104 -0.343 7.779 48 2HB ALA 6 HB3 ALA 6 124.271 1.211 7.827 49 3HB ALA 6 HB2 ALA 6 123.657 -0.148 8.769 50 H GLN 7 HN GLN 7 120.914 -1.093 7.224 51 HA GLN 7 HA GLN 7 119.730 1.636 7.088 52 1HB GLN 7 HB2 GLN 7 117.787 0.683 5.822 53 2HB GLN 7 HB1 GLN 7 119.292 0.670 4.901 54 1HG GLN 7 HG2 GLN 7 119.457 -1.614 4.940 55 2HG GLN 7 HG1 GLN 7 118.750 -1.741 6.550 56 1HE2 GLN 7 HE22 GLN 7 116.210 -1.522 3.315 57 2HE2 GLN 7 HE21 GLN 7 117.765 -0.854 3.190 58 H ASP 8 HN ASP 8 117.202 1.243 7.724 59 HA ASP 8 HA ASP 8 117.214 -0.540 10.127 60 1HB ASP 8 HB2 ASP 8 115.767 1.179 11.230 61 2HB ASP 8 HB1 ASP 8 117.380 1.784 10.853 62 H ARG 9 HN ARG 9 114.603 -0.384 10.877 63 HA ARG 9 HA ARG 9 113.254 -2.099 9.066 64 1HB ARG 9 HB2 ARG 9 111.232 -1.630 10.435 65 2HB ARG 9 HB1 ARG 9 112.644 -1.975 11.433 66 1HG ARG 9 HG2 ARG 9 113.020 0.474 11.700 67 2HG ARG 9 HG1 ARG 9 111.551 0.777 10.774 68 1HD ARG 9 HD2 ARG 9 111.278 -1.102 13.055 69 2HD ARG 9 HD1 ARG 9 111.576 0.586 13.474 70 HE ARG 9 HE ARG 9 109.521 0.460 11.486 71 1HH1 ARG 9 HH11 ARG 9 110.096 -0.251 14.862 72 2HH1 ARG 9 HH12 ARG 9 108.440 -0.010 15.299 73 1HH2 ARG 9 HH21 ARG 9 107.389 0.763 12.096 74 2HH2 ARG 9 HH22 ARG 9 106.923 0.558 13.752 75 H ASP 10 HN ASP 10 113.066 1.428 9.458 76 HA ASP 10 HA ASP 10 110.892 1.823 7.617 77 1HB ASP 10 HB2 ASP 10 113.114 3.656 8.556 78 2HB ASP 10 HB1 ASP 10 111.793 4.190 7.516 79 H GLY 11 HN GLY 11 114.418 1.740 7.225 80 1HA GLY 11 HA2 GLY 11 115.317 0.816 5.111 81 2HA GLY 11 HA1 GLY 11 113.983 1.604 4.269 82 H LEU 12 HN LEU 12 115.745 3.199 6.849 83 HA LEU 12 HA LEU 12 116.574 5.296 4.933 84 1HB LEU 12 HB2 LEU 12 115.515 5.594 7.348 85 2HB LEU 12 HB1 LEU 12 117.194 5.416 7.862 86 HG LEU 12 HG LEU 12 117.729 7.190 6.059 87 1HD1 LEU 12 HD11 LEU 12 115.406 6.976 5.045 88 2HD1 LEU 12 HD13 LEU 12 114.796 7.823 6.467 89 3HD1 LEU 12 HD12 LEU 12 115.929 8.627 5.380 90 1HD2 LEU 12 HD23 LEU 12 117.612 7.464 8.619 91 2HD2 LEU 12 HD22 LEU 12 117.455 8.933 7.655 92 3HD2 LEU 12 HD21 LEU 12 116.022 8.177 8.350 93 H ILE 13 HN ILE 13 118.666 5.530 4.259 94 HA ILE 13 HA ILE 13 120.703 3.716 5.479 95 HB ILE 13 HB ILE 13 121.934 4.037 3.321 96 1HG1 ILE 13 HG12 ILE 13 119.372 5.369 2.397 97 2HG1 ILE 13 HG11 ILE 13 120.826 6.267 2.835 98 1HG2 ILE 13 HG22 ILE 13 119.072 3.060 3.074 99 2HG2 ILE 13 HG21 ILE 13 120.387 2.658 1.970 100 3HG2 ILE 13 HG23 ILE 13 120.441 2.104 3.644 101 1HD1 ILE 13 HD12 ILE 13 121.121 4.014 0.896 102 2HD1 ILE 13 HD11 ILE 13 120.369 5.500 0.317 103 3HD1 ILE 13 HD13 ILE 13 122.000 5.540 0.986 104 H GLY 14 HN GLY 14 119.969 7.049 4.653 105 1HA GLY 14 HA2 GLY 14 122.165 7.948 6.397 106 2HA GLY 14 HA1 GLY 14 122.291 8.449 4.710 107 H LYS 15 HN LYS 15 122.118 10.636 5.870 108 HA LYS 15 HA LYS 15 119.397 11.631 5.538 109 1HB LYS 15 HB2 LYS 15 119.620 10.643 7.951 110 2HB LYS 15 HB1 LYS 15 120.578 12.091 8.268 111 1HG LYS 15 HG2 LYS 15 118.487 13.235 7.016 112 2HG LYS 15 HG1 LYS 15 117.668 11.833 7.702 113 1HD LYS 15 HD2 LYS 15 117.970 12.539 9.865 114 2HD LYS 15 HD1 LYS 15 119.517 13.308 9.507 115 1HE LYS 15 HE2 LYS 15 118.538 15.283 8.831 116 2HE LYS 15 HE1 LYS 15 117.075 14.484 8.258 117 1HZ LYS 15 HZ3 LYS 15 116.585 14.011 10.659 118 2HZ LYS 15 HZ2 LYS 15 117.844 15.079 11.056 119 3HZ LYS 15 HZ1 LYS 15 116.487 15.642 10.205 120 H ASP 16 HN ASP 16 120.050 13.273 4.201 121 HA ASP 16 HA ASP 16 121.074 15.267 3.516 122 1HB ASP 16 HB2 ASP 16 121.007 15.444 6.495 123 2HB ASP 16 HB1 ASP 16 122.026 16.600 5.637 124 H GLY 17 HN GLY 17 122.672 12.757 3.808 125 1HA GLY 17 HA2 GLY 17 124.940 12.447 3.048 126 2HA GLY 17 HA1 GLY 17 125.343 14.045 3.678 127 H HIS 18 HN HIS 18 124.300 13.808 6.278 128 HA HIS 18 HA HIS 18 126.335 12.031 7.477 129 1HB HIS 18 HB2 HIS 18 125.646 13.156 9.612 130 2HB HIS 18 HB1 HIS 18 126.195 14.285 8.375 131 HD1 HIS 18 HD1 HIS 18 123.033 13.012 10.013 132 HD2 HIS 18 HD2 HIS 18 124.232 16.081 7.460 133 HE1 HIS 18 HE1 HIS 18 121.047 14.567 9.782 134 H LEU 19 HN LEU 19 125.770 10.478 9.137 135 HA LEU 19 HA LEU 19 123.329 9.016 8.528 136 1HB LEU 19 HB2 LEU 19 125.647 8.629 10.398 137 2HB LEU 19 HB1 LEU 19 124.186 7.665 10.617 138 HG LEU 19 HG LEU 19 125.529 7.906 7.924 139 1HD1 LEU 19 HD12 LEU 19 127.063 7.012 9.794 140 2HD1 LEU 19 HD11 LEU 19 125.970 5.629 9.859 141 3HD1 LEU 19 HD13 LEU 19 126.850 5.988 8.374 142 1HD2 LEU 19 HD21 LEU 19 123.178 7.059 8.097 143 2HD2 LEU 19 HD23 LEU 19 124.299 5.846 7.479 144 3HD2 LEU 19 HD22 LEU 19 123.756 5.772 9.155 145 HA PRO 20 HA PRO 20 120.750 10.781 11.708 146 1HB PRO 20 HB2 PRO 20 118.987 8.636 11.968 147 2HB PRO 20 HB1 PRO 20 118.877 9.916 10.752 148 1HG PRO 20 HG2 PRO 20 119.504 7.138 10.369 149 2HG PRO 20 HG1 PRO 20 119.300 8.402 9.149 150 1HD PRO 20 HD2 PRO 20 121.765 7.235 10.175 151 2HD PRO 20 HD1 PRO 20 121.526 8.296 8.777 152 H TRP 21 HN TRP 21 121.773 7.399 12.177 153 HA TRP 21 HA TRP 21 121.610 7.801 15.129 154 1HB TRP 21 HB2 TRP 21 121.870 5.312 15.228 155 2HB TRP 21 HB1 TRP 21 120.441 5.818 14.328 156 HD1 TRP 21 HD1 TRP 21 124.069 4.667 13.706 157 HE1 TRP 21 HE1 TRP 21 124.174 3.532 11.394 158 HE3 TRP 21 HE3 TRP 21 119.290 5.480 12.106 159 HZ2 TRP 21 HZ2 TRP 21 122.458 3.034 9.161 160 HZ3 TRP 21 HZ3 TRP 21 118.551 4.666 9.886 161 HH2 TRP 21 HH2 TRP 21 120.127 3.445 8.412 162 H HIS 22 HN HIS 22 123.467 6.138 16.108 163 HA HIS 22 HA HIS 22 126.050 6.800 14.776 164 1HB HIS 22 HB2 HIS 22 125.512 8.466 16.611 165 2HB HIS 22 HB1 HIS 22 125.582 7.125 17.753 166 HD1 HIS 22 HD1 HIS 22 127.795 8.681 15.056 167 HD2 HIS 22 HD2 HIS 22 128.142 6.632 18.670 168 HE1 HIS 22 HE1 HIS 22 130.267 8.601 15.600 169 H LEU 23 HN LEU 23 126.258 4.592 14.192 170 HA LEU 23 HA LEU 23 126.499 2.679 16.478 171 1HB LEU 23 HB2 LEU 23 124.858 2.397 14.365 172 2HB LEU 23 HB1 LEU 23 126.315 1.674 13.684 173 HG LEU 23 HG LEU 23 126.436 0.364 15.932 174 1HD1 LEU 23 HD12 LEU 23 124.597 1.791 16.944 175 2HD1 LEU 23 HD11 LEU 23 123.470 0.974 15.859 176 3HD1 LEU 23 HD13 LEU 23 124.346 0.050 17.079 177 1HD2 LEU 23 HD23 LEU 23 124.660 -0.065 13.569 178 2HD2 LEU 23 HD22 LEU 23 126.031 -1.022 14.131 179 3HD2 LEU 23 HD21 LEU 23 124.469 -1.162 14.937 180 HA PRO 24 HA PRO 24 130.862 2.964 15.163 181 1HB PRO 24 HB2 PRO 24 131.763 1.821 17.572 182 2HB PRO 24 HB1 PRO 24 131.666 3.547 17.200 183 1HG PRO 24 HG2 PRO 24 130.107 2.065 19.074 184 2HG PRO 24 HG1 PRO 24 130.001 3.787 18.684 185 1HD PRO 24 HD2 PRO 24 128.248 1.600 17.854 186 2HD PRO 24 HD1 PRO 24 127.981 3.348 17.758 187 H ASP 25 HN ASP 25 129.116 0.212 16.481 188 HA ASP 25 HA ASP 25 131.091 -1.799 15.903 189 1HB ASP 25 HB2 ASP 25 129.042 -2.058 17.394 190 2HB ASP 25 HB1 ASP 25 128.089 -2.195 15.916 191 H ASP 26 HN ASP 26 128.522 -0.293 14.005 192 HA ASP 26 HA ASP 26 128.711 -2.126 11.770 193 1HB ASP 26 HB2 ASP 26 126.777 -0.519 12.341 194 2HB ASP 26 HB1 ASP 26 127.768 0.739 11.601 195 H LEU 27 HN LEU 27 130.360 0.836 12.702 196 HA LEU 27 HA LEU 27 131.572 1.412 10.163 197 1HB LEU 27 HB2 LEU 27 132.181 2.139 13.017 198 2HB LEU 27 HB1 LEU 27 133.339 2.535 11.747 199 HG LEU 27 HG LEU 27 130.424 3.246 11.464 200 1HD1 LEU 27 HD12 LEU 27 132.614 4.824 12.843 201 2HD1 LEU 27 HD11 LEU 27 131.087 5.525 12.306 202 3HD1 LEU 27 HD13 LEU 27 131.094 4.276 13.551 203 1HD2 LEU 27 HD22 LEU 27 133.018 4.316 10.310 204 2HD2 LEU 27 HD21 LEU 27 131.795 3.379 9.452 205 3HD2 LEU 27 HD23 LEU 27 131.429 5.014 10.001 206 H HIS 28 HN HIS 28 132.432 -0.741 12.818 207 HA HIS 28 HA HIS 28 135.120 -1.305 11.982 208 1HB HIS 28 HB2 HIS 28 133.182 -3.091 13.489 209 2HB HIS 28 HB1 HIS 28 134.934 -3.286 13.422 210 HD1 HIS 28 HD1 HIS 28 135.626 -0.216 13.707 211 HD2 HIS 28 HD2 HIS 28 133.042 -2.333 16.200 212 HE1 HIS 28 HE1 HIS 28 135.534 1.060 15.892 213 H TYR 29 HN TYR 29 131.980 -2.610 11.048 214 HA TYR 29 HA TYR 29 133.060 -4.840 9.533 215 1HB TYR 29 HB2 TYR 29 130.662 -4.539 10.480 216 2HB TYR 29 HB1 TYR 29 130.371 -3.567 9.037 217 HD1 TYR 29 HD2 TYR 29 131.934 -6.850 9.981 218 HD2 TYR 29 HD1 TYR 29 129.573 -4.655 7.142 219 HE1 TYR 29 HE2 TYR 29 131.616 -8.917 8.649 220 HE2 TYR 29 HE1 TYR 29 129.255 -6.723 5.810 221 HH TYR 29 HH TYR 29 129.622 -9.669 6.873 222 H PHE 30 HN PHE 30 132.309 -1.477 8.858 223 HA PHE 30 HA PHE 30 132.407 -1.697 5.975 224 1HB PHE 30 HB2 PHE 30 131.338 0.203 7.220 225 2HB PHE 30 HB1 PHE 30 132.949 0.741 7.694 226 HD1 PHE 30 HD2 PHE 30 130.801 0.013 4.731 227 HD2 PHE 30 HD1 PHE 30 134.291 2.023 6.224 228 HE1 PHE 30 HE2 PHE 30 131.048 1.194 2.564 229 HE2 PHE 30 HE1 PHE 30 134.538 3.204 4.056 230 HZ PHE 30 HZ PHE 30 132.915 2.790 2.227 231 H ARG 31 HN ARG 31 134.804 -1.179 8.503 232 HA ARG 31 HA ARG 31 136.939 -0.451 6.656 233 1HB ARG 31 HB2 ARG 31 136.734 0.063 9.209 234 2HB ARG 31 HB1 ARG 31 137.396 -1.558 9.418 235 1HG ARG 31 HG2 ARG 31 139.289 -0.905 7.894 236 2HG ARG 31 HG1 ARG 31 138.665 0.744 7.911 237 1HD ARG 31 HD2 ARG 31 140.144 0.911 9.670 238 2HD ARG 31 HD1 ARG 31 138.734 0.328 10.555 239 HE ARG 31 HE ARG 31 140.254 -1.904 9.584 240 1HH1 ARG 31 HH21 ARG 31 140.330 0.630 11.994 241 2HH1 ARG 31 HH22 ARG 31 141.303 -0.297 13.082 242 1HH2 ARG 31 HH11 ARG 31 141.511 -3.066 11.022 243 2HH2 ARG 31 HH12 ARG 31 141.965 -2.368 12.540 244 H ALA 32 HN ALA 32 135.815 -3.419 8.219 245 HA ALA 32 HA ALA 32 138.063 -5.041 7.390 246 1HB ALA 32 HB3 ALA 32 135.236 -5.833 8.157 247 2HB ALA 32 HB2 ALA 32 136.591 -6.949 7.988 248 3HB ALA 32 HB1 ALA 32 136.613 -5.721 9.253 249 H GLN 33 HN GLN 33 135.022 -4.095 5.910 250 HA GLN 33 HA GLN 33 135.492 -5.956 3.639 251 1HB GLN 33 HB2 GLN 33 133.158 -4.079 4.118 252 2HB GLN 33 HB1 GLN 33 133.240 -5.378 2.929 253 1HG GLN 33 HG2 GLN 33 133.568 -5.892 5.890 254 2HG GLN 33 HG1 GLN 33 131.989 -5.908 5.105 255 1HE2 GLN 33 HE22 GLN 33 133.921 -9.291 5.010 256 2HE2 GLN 33 HE21 GLN 33 133.931 -8.123 6.242 257 H THR 34 HN THR 34 137.338 -3.807 3.967 258 HA THR 34 HA THR 34 136.914 -2.427 1.385 259 HB THR 34 HB THR 34 137.624 -0.233 2.491 260 HG1 THR 34 HG1 THR 34 136.708 -1.596 4.799 261 1HG2 THR 34 HG23 THR 34 134.957 -1.486 3.196 262 2HG2 THR 34 HG22 THR 34 135.305 0.240 3.287 263 3HG2 THR 34 HG21 THR 34 135.338 -0.585 1.728 264 H VAL 35 HN VAL 35 139.064 -2.865 4.204 265 HA VAL 35 HA VAL 35 141.482 -2.039 2.963 266 HB VAL 35 HB VAL 35 142.596 -3.492 4.678 267 1HG1 VAL 35 HG13 VAL 35 140.322 -1.667 5.476 268 2HG1 VAL 35 HG12 VAL 35 141.433 -2.354 6.663 269 3HG1 VAL 35 HG11 VAL 35 142.043 -1.290 5.395 270 1HG2 VAL 35 HG23 VAL 35 140.764 -5.262 4.554 271 2HG2 VAL 35 HG22 VAL 35 141.277 -4.820 6.181 272 3HG2 VAL 35 HG21 VAL 35 139.770 -4.179 5.527 273 H GLY 36 HN GLY 36 142.982 -3.120 1.687 274 1HA GLY 36 HA2 GLY 36 143.790 -4.719 0.174 275 2HA GLY 36 HA1 GLY 36 143.067 -5.933 1.230 276 H LYS 37 HN LYS 37 141.077 -3.420 -0.169 277 HA LYS 37 HA LYS 37 140.141 -5.227 -2.325 278 1HB LYS 37 HB2 LYS 37 138.434 -4.202 -0.045 279 2HB LYS 37 HB1 LYS 37 137.742 -4.743 -1.575 280 1HG LYS 37 HG2 LYS 37 138.566 -6.961 -1.280 281 2HG LYS 37 HG1 LYS 37 139.632 -6.468 0.035 282 1HD LYS 37 HD2 LYS 37 137.926 -7.274 1.331 283 2HD LYS 37 HD1 LYS 37 137.260 -5.664 1.056 284 1HE LYS 37 HE2 LYS 37 135.734 -6.417 -0.532 285 2HE LYS 37 HE1 LYS 37 136.705 -7.830 -0.945 286 1HZ LYS 37 HZ3 LYS 37 135.287 -7.435 1.635 287 2HZ LYS 37 HZ2 LYS 37 134.726 -8.398 0.353 288 3HZ LYS 37 HZ1 LYS 37 136.157 -8.814 1.168 289 H ILE 38 HN ILE 38 138.173 -3.905 -3.451 290 HA ILE 38 HA ILE 38 139.256 -1.155 -3.888 291 HB ILE 38 HB ILE 38 137.452 -2.795 -5.696 292 1HG1 ILE 38 HG12 ILE 38 140.406 -2.238 -6.052 293 2HG1 ILE 38 HG11 ILE 38 139.811 -3.704 -5.274 294 1HG2 ILE 38 HG23 ILE 38 137.346 -0.315 -5.963 295 2HG2 ILE 38 HG22 ILE 38 139.091 -0.295 -6.224 296 3HG2 ILE 38 HG21 ILE 38 138.036 -1.116 -7.375 297 1HD1 ILE 38 HD12 ILE 38 138.777 -2.865 -7.977 298 2HD1 ILE 38 HD11 ILE 38 140.273 -3.785 -7.828 299 3HD1 ILE 38 HD13 ILE 38 138.757 -4.467 -7.238 300 H MET 39 HN MET 39 138.095 0.354 -2.802 301 HA MET 39 HA MET 39 135.236 -0.139 -2.205 302 1HB MET 39 HB2 MET 39 136.931 0.755 -0.495 303 2HB MET 39 HB1 MET 39 136.866 2.273 -1.391 304 1HG MET 39 HG2 MET 39 134.359 2.240 -1.105 305 2HG MET 39 HG1 MET 39 134.559 0.855 -0.032 306 1HE MET 39 HE1 MET 39 135.789 4.069 -1.081 307 2HE MET 39 HE3 MET 39 135.541 5.164 0.287 308 3HE MET 39 HE2 MET 39 137.084 4.339 0.082 309 H VAL 40 HN VAL 40 133.766 0.554 -3.666 310 HA VAL 40 HA VAL 40 134.482 2.790 -5.491 311 HB VAL 40 HB VAL 40 132.080 0.940 -5.587 312 1HG1 VAL 40 HG12 VAL 40 131.856 3.102 -6.793 313 2HG1 VAL 40 HG11 VAL 40 133.336 2.742 -7.681 314 3HG1 VAL 40 HG13 VAL 40 131.907 1.732 -7.902 315 1HG2 VAL 40 HG22 VAL 40 134.794 0.777 -6.932 316 2HG2 VAL 40 HG21 VAL 40 134.078 -0.403 -5.835 317 3HG2 VAL 40 HG23 VAL 40 133.393 -0.165 -7.442 318 H VAL 41 HN VAL 41 133.967 4.740 -4.602 319 HA VAL 41 HA VAL 41 131.249 5.018 -3.381 320 HB VAL 41 HB VAL 41 132.251 6.787 -1.910 321 1HG1 VAL 41 HG12 VAL 41 133.104 3.909 -1.813 322 2HG1 VAL 41 HG11 VAL 41 133.707 5.032 -0.593 323 3HG1 VAL 41 HG13 VAL 41 131.972 4.771 -0.771 324 1HG2 VAL 41 HG22 VAL 41 134.223 7.211 -3.406 325 2HG2 VAL 41 HG21 VAL 41 134.671 6.940 -1.723 326 3HG2 VAL 41 HG23 VAL 41 134.881 5.653 -2.909 327 H GLY 42 HN GLY 42 130.192 7.029 -3.802 328 1HA GLY 42 HA2 GLY 42 131.046 8.297 -6.324 329 2HA GLY 42 HA1 GLY 42 129.511 8.565 -5.496 330 H ARG 43 HN ARG 43 129.902 10.885 -5.792 331 HA ARG 43 HA ARG 43 132.169 12.084 -4.345 332 1HB ARG 43 HB2 ARG 43 130.004 13.060 -6.155 333 2HB ARG 43 HB1 ARG 43 130.695 14.217 -5.016 334 1HG ARG 43 HG2 ARG 43 132.976 13.576 -5.839 335 2HG ARG 43 HG1 ARG 43 132.204 12.573 -7.067 336 1HD ARG 43 HD2 ARG 43 132.800 14.814 -7.953 337 2HD ARG 43 HD1 ARG 43 131.058 14.538 -7.984 338 HE ARG 43 HE ARG 43 131.902 15.841 -5.533 339 1HH1 ARG 43 HH11 ARG 43 131.123 16.369 -8.902 340 2HH1 ARG 43 HH12 ARG 43 130.678 18.020 -8.644 341 1HH2 ARG 43 HH21 ARG 43 131.317 17.980 -5.246 342 2HH2 ARG 43 HH22 ARG 43 130.786 18.925 -6.598 343 H ARG 44 HN ARG 44 128.715 11.568 -3.907 344 HA ARG 44 HA ARG 44 128.407 13.349 -1.654 345 1HB ARG 44 HB2 ARG 44 126.813 11.140 -2.892 346 2HB ARG 44 HB1 ARG 44 126.407 11.636 -1.250 347 1HG ARG 44 HG2 ARG 44 125.665 13.706 -1.910 348 2HG ARG 44 HG1 ARG 44 126.827 13.814 -3.233 349 1HD ARG 44 HD2 ARG 44 124.830 13.511 -4.401 350 2HD ARG 44 HD1 ARG 44 125.408 11.852 -4.261 351 HE ARG 44 HE ARG 44 123.605 11.393 -2.813 352 1HH1 ARG 44 HH11 ARG 44 124.030 14.848 -3.160 353 2HH1 ARG 44 HH12 ARG 44 122.573 15.213 -2.305 354 1HH2 ARG 44 HH21 ARG 44 121.728 11.912 -1.714 355 2HH2 ARG 44 HH22 ARG 44 121.282 13.571 -1.494 356 H THR 45 HN THR 45 129.374 9.980 -2.027 357 HA THR 45 HA THR 45 129.356 9.517 0.882 358 HB THR 45 HB THR 45 130.651 7.664 -1.096 359 HG1 THR 45 HG1 THR 45 128.846 7.444 -2.108 360 1HG2 THR 45 HG22 THR 45 130.379 7.435 1.527 361 2HG2 THR 45 HG21 THR 45 128.754 6.903 1.092 362 3HG2 THR 45 HG23 THR 45 130.161 6.034 0.479 363 H TYR 46 HN TYR 46 131.673 10.218 -1.686 364 HA TYR 46 HA TYR 46 134.071 9.644 -0.243 365 1HB TYR 46 HB2 TYR 46 133.870 10.151 -2.725 366 2HB TYR 46 HB1 TYR 46 133.725 11.853 -2.286 367 HD1 TYR 46 HD1 TYR 46 135.919 8.865 -1.736 368 HD2 TYR 46 HD2 TYR 46 135.653 13.145 -1.976 369 HE1 TYR 46 HE1 TYR 46 138.386 9.029 -1.545 370 HE2 TYR 46 HE2 TYR 46 138.120 13.309 -1.784 371 HH TYR 46 HH TYR 46 140.163 11.094 -2.409 372 H GLU 47 HN GLU 47 132.037 12.545 -0.403 373 HA GLU 47 HA GLU 47 133.829 14.099 1.308 374 1HB GLU 47 HB2 GLU 47 130.957 14.627 0.481 375 2HB GLU 47 HB1 GLU 47 132.044 15.792 1.240 376 1HG GLU 47 HG2 GLU 47 133.496 15.818 -0.659 377 2HG GLU 47 HG1 GLU 47 132.710 14.406 -1.365 378 H SER 48 HN SER 48 131.075 11.984 1.743 379 HA SER 48 HA SER 48 130.248 12.852 4.337 380 1HB SER 48 HB2 SER 48 130.050 10.246 2.841 381 2HB SER 48 HB1 SER 48 129.516 10.354 4.517 382 HG SER 48 HG SER 48 128.107 10.962 2.473 383 H PHE 49 HN PHE 49 132.832 10.694 3.267 384 HA PHE 49 HA PHE 49 133.481 9.571 5.813 385 1HB PHE 49 HB2 PHE 49 135.431 10.189 3.574 386 2HB PHE 49 HB1 PHE 49 135.605 8.962 4.828 387 HD1 PHE 49 HD2 PHE 49 133.109 7.581 4.967 388 HD2 PHE 49 HD1 PHE 49 135.077 9.189 1.504 389 HE1 PHE 49 HE2 PHE 49 131.919 5.946 3.531 390 HE2 PHE 49 HE1 PHE 49 133.889 7.553 0.068 391 HZ PHE 49 HZ PHE 49 132.309 5.932 1.081 392 HA PRO 50 HA PRO 50 135.562 12.960 7.833 393 1HB PRO 50 HB2 PRO 50 137.267 11.443 9.443 394 2HB PRO 50 HB1 PRO 50 135.590 11.854 9.822 395 1HG PRO 50 HG2 PRO 50 136.693 9.280 9.193 396 2HG PRO 50 HG1 PRO 50 135.030 9.687 9.636 397 1HD PRO 50 HD2 PRO 50 136.131 9.098 6.999 398 2HD PRO 50 HD1 PRO 50 134.438 9.212 7.504 399 H LYS 51 HN LYS 51 137.781 10.293 6.944 400 HA LYS 51 HA LYS 51 139.942 12.259 6.438 401 1HB LYS 51 HB2 LYS 51 140.066 9.815 7.563 402 2HB LYS 51 HB1 LYS 51 140.325 9.357 5.880 403 1HG LYS 51 HG2 LYS 51 142.506 9.829 6.437 404 2HG LYS 51 HG1 LYS 51 141.995 11.457 5.990 405 1HD LYS 51 HD2 LYS 51 141.362 11.821 8.414 406 2HD LYS 51 HD1 LYS 51 142.147 10.284 8.778 407 1HE LYS 51 HE2 LYS 51 143.553 12.536 7.326 408 2HE LYS 51 HE1 LYS 51 143.607 12.347 9.079 409 1HZ LYS 51 HZ2 LYS 51 144.371 10.001 8.614 410 2HZ LYS 51 HZ1 LYS 51 144.625 10.496 7.008 411 3HZ LYS 51 HZ3 LYS 51 145.485 11.237 8.269 412 H ARG 52 HN ARG 52 140.605 12.798 4.380 413 HA ARG 52 HA ARG 52 139.410 11.284 2.105 414 1HB ARG 52 HB2 ARG 52 139.195 14.170 2.767 415 2HB ARG 52 HB1 ARG 52 139.502 13.782 1.073 416 1HG ARG 52 HG2 ARG 52 137.447 12.828 0.779 417 2HG ARG 52 HG1 ARG 52 137.425 12.133 2.399 418 1HD ARG 52 HD2 ARG 52 135.718 13.951 2.052 419 2HD ARG 52 HD1 ARG 52 136.837 14.266 3.378 420 HE ARG 52 HE ARG 52 137.648 16.114 2.173 421 1HH1 ARG 52 HH11 ARG 52 135.949 13.945 0.021 422 2HH1 ARG 52 HH12 ARG 52 136.066 15.025 -1.323 423 1HH2 ARG 52 HH21 ARG 52 137.778 17.481 0.408 424 2HH2 ARG 52 HH22 ARG 52 137.090 17.007 -1.109 425 HA PRO 53 HA PRO 53 139.949 10.136 0.637 426 1HB PRO 53 HB2 PRO 53 141.848 8.254 -0.205 427 2HB PRO 53 HB1 PRO 53 140.988 9.400 -1.241 428 1HG PRO 53 HG2 PRO 53 143.768 9.359 -0.600 429 2HG PRO 53 HG1 PRO 53 142.898 10.520 -1.612 430 1HD PRO 53 HD2 PRO 53 143.830 10.810 1.155 431 2HD PRO 53 HD1 PRO 53 143.331 12.058 0.001 432 H LEU 54 HN LEU 54 140.477 7.428 0.980 433 HA LEU 54 HA LEU 54 140.956 7.285 3.918 434 1HB LEU 54 HB2 LEU 54 139.438 5.489 2.011 435 2HB LEU 54 HB1 LEU 54 139.764 5.053 3.689 436 HG LEU 54 HG LEU 54 138.452 7.675 2.974 437 1HD1 LEU 54 HD11 LEU 54 137.117 5.003 3.512 438 2HD1 LEU 54 HD13 LEU 54 136.280 6.554 3.438 439 3HD1 LEU 54 HD12 LEU 54 137.064 5.905 1.998 440 1HD2 LEU 54 HD22 LEU 54 139.426 7.312 5.254 441 2HD2 LEU 54 HD21 LEU 54 137.680 7.555 5.284 442 3HD2 LEU 54 HD23 LEU 54 138.348 5.932 5.456 443 HA PRO 55 HA PRO 55 144.714 5.035 2.777 444 1HB PRO 55 HB2 PRO 55 145.573 4.700 5.407 445 2HB PRO 55 HB1 PRO 55 145.939 6.090 4.376 446 1HG PRO 55 HG2 PRO 55 144.264 5.986 6.712 447 2HG PRO 55 HG1 PRO 55 144.725 7.392 5.743 448 1HD PRO 55 HD2 PRO 55 142.205 5.937 5.756 449 2HD PRO 55 HD1 PRO 55 142.599 7.481 4.984 450 H GLU 56 HN GLU 56 145.736 2.897 3.526 451 HA GLU 56 HA GLU 56 145.524 0.596 3.908 452 1HB GLU 56 HB2 GLU 56 143.238 1.388 5.736 453 2HB GLU 56 HB1 GLU 56 144.165 -0.112 5.786 454 1HG GLU 56 HG2 GLU 56 146.204 1.606 6.002 455 2HG GLU 56 HG1 GLU 56 144.938 2.627 6.684 456 H ARG 57 HN ARG 57 143.903 1.988 1.793 457 HA ARG 57 HA ARG 57 142.435 -0.264 0.846 458 1HB ARG 57 HB2 ARG 57 140.120 0.639 1.053 459 2HB ARG 57 HB1 ARG 57 140.836 0.265 2.620 460 1HG ARG 57 HG2 ARG 57 141.608 2.768 2.573 461 2HG ARG 57 HG1 ARG 57 140.334 2.952 1.367 462 1HD ARG 57 HD2 ARG 57 138.991 3.275 3.178 463 2HD ARG 57 HD1 ARG 57 139.022 1.515 3.288 464 HE ARG 57 HE ARG 57 141.285 2.565 4.678 465 1HH1 ARG 57 HH21 ARG 57 137.801 2.368 4.927 466 2HH1 ARG 57 HH22 ARG 57 137.821 2.443 6.654 467 1HH2 ARG 57 HH11 ARG 57 141.262 2.659 6.914 468 2HH2 ARG 57 HH12 ARG 57 139.758 2.605 7.769 469 H THR 58 HN THR 58 141.248 0.272 -1.188 470 HA THR 58 HA THR 58 142.555 2.569 -2.538 471 HB THR 58 HB THR 58 140.817 0.492 -3.869 472 HG1 THR 58 HG1 THR 58 143.581 0.318 -3.259 473 1HG2 THR 58 HG21 THR 58 141.556 2.504 -5.137 474 2HG2 THR 58 HG23 THR 58 143.232 2.067 -4.805 475 3HG2 THR 58 HG22 THR 58 142.224 1.010 -5.795 476 H ASN 59 HN ASN 59 141.404 4.329 -3.248 477 HA ASN 59 HA ASN 59 138.469 4.330 -2.684 478 1HB ASN 59 HB2 ASN 59 140.452 6.619 -2.870 479 2HB ASN 59 HB1 ASN 59 138.717 6.817 -2.620 480 1HD2 ASN 59 HD22 ASN 59 141.054 5.446 0.456 481 2HD2 ASN 59 HD21 ASN 59 141.675 5.479 -1.124 482 H VAL 60 HN VAL 60 137.098 4.549 -4.391 483 HA VAL 60 HA VAL 60 138.252 5.455 -7.001 484 HB VAL 60 HB VAL 60 136.055 3.398 -6.611 485 1HG1 VAL 60 HG11 VAL 60 136.027 4.727 -8.735 486 2HG1 VAL 60 HG13 VAL 60 137.666 4.164 -9.065 487 3HG1 VAL 60 HG12 VAL 60 136.333 3.010 -8.999 488 1HG2 VAL 60 HG22 VAL 60 139.034 3.146 -7.040 489 2HG2 VAL 60 HG21 VAL 60 138.023 2.321 -5.855 490 3HG2 VAL 60 HG23 VAL 60 137.928 1.874 -7.558 491 H VAL 61 HN VAL 61 137.424 7.476 -7.295 492 HA VAL 61 HA VAL 61 134.745 8.170 -6.294 493 HB VAL 61 HB VAL 61 136.663 9.836 -7.951 494 1HG1 VAL 61 HG11 VAL 61 134.246 10.485 -6.243 495 2HG1 VAL 61 HG13 VAL 61 135.380 11.704 -6.823 496 3HG1 VAL 61 HG12 VAL 61 134.436 10.761 -7.975 497 1HG2 VAL 61 HG22 VAL 61 136.422 9.360 -4.978 498 2HG2 VAL 61 HG21 VAL 61 137.871 9.305 -5.983 499 3HG2 VAL 61 HG23 VAL 61 137.113 10.853 -5.613 500 H LEU 62 HN LEU 62 132.954 7.837 -7.503 501 HA LEU 62 HA LEU 62 133.263 7.711 -10.479 502 1HB LEU 62 HB2 LEU 62 132.575 5.569 -9.340 503 2HB LEU 62 HB1 LEU 62 131.110 6.391 -8.802 504 HG LEU 62 HG LEU 62 130.703 6.965 -11.264 505 1HD1 LEU 62 HD12 LEU 62 132.972 4.984 -11.479 506 2HD1 LEU 62 HD11 LEU 62 131.812 5.205 -12.789 507 3HD1 LEU 62 HD13 LEU 62 132.817 6.556 -12.261 508 1HD2 LEU 62 HD21 LEU 62 130.641 4.141 -10.180 509 2HD2 LEU 62 HD23 LEU 62 129.315 5.301 -10.274 510 3HD2 LEU 62 HD22 LEU 62 129.940 4.554 -11.745 511 H THR 63 HN THR 63 132.673 9.757 -11.129 512 HA THR 63 HA THR 63 129.906 10.616 -10.480 513 HB THR 63 HB THR 63 131.261 11.836 -8.867 514 HG1 THR 63 HG1 THR 63 129.910 13.332 -9.443 515 1HG2 THR 63 HG23 THR 63 132.903 12.648 -11.281 516 2HG2 THR 63 HG22 THR 63 133.093 13.326 -9.665 517 3HG2 THR 63 HG21 THR 63 133.436 11.619 -9.951 518 H HIS 64 HN HIS 64 129.367 12.607 -11.933 519 HA HIS 64 HA HIS 64 130.452 12.029 -14.652 520 1HB HIS 64 HB2 HIS 64 127.886 11.989 -13.948 521 2HB HIS 64 HB1 HIS 64 128.025 13.727 -14.214 522 HD1 HIS 64 HD1 HIS 64 126.866 11.041 -16.024 523 HD2 HIS 64 HD2 HIS 64 129.787 13.882 -16.906 524 HE1 HIS 64 HE1 HIS 64 127.115 11.055 -18.544 525 H GLN 65 HN GLN 65 131.814 13.731 -12.666 526 HA GLN 65 HA GLN 65 131.589 16.391 -14.014 527 1HB GLN 65 HB2 GLN 65 131.324 15.998 -11.394 528 2HB GLN 65 HB1 GLN 65 133.087 16.035 -11.448 529 1HG GLN 65 HG2 GLN 65 132.520 18.296 -11.124 530 2HG GLN 65 HG1 GLN 65 132.772 18.193 -12.867 531 1HE2 GLN 65 HE22 GLN 65 129.158 19.272 -11.478 532 2HE2 GLN 65 HE21 GLN 65 130.525 19.143 -10.480 533 H GLU 66 HN GLU 66 133.132 16.561 -15.567 534 HA GLU 66 HA GLU 66 135.624 15.035 -15.421 535 1HB GLU 66 HB2 GLU 66 134.477 17.013 -17.393 536 2HB GLU 66 HB1 GLU 66 136.120 16.388 -17.552 537 1HG GLU 66 HG2 GLU 66 135.212 14.070 -17.513 538 2HG GLU 66 HG1 GLU 66 133.579 14.736 -17.457 539 H ASP 67 HN ASP 67 134.699 17.835 -13.880 540 HA ASP 67 HA ASP 67 137.392 19.089 -14.145 541 1HB ASP 67 HB2 ASP 67 136.297 21.052 -13.019 542 2HB ASP 67 HB1 ASP 67 135.575 20.641 -14.575 543 H TYR 68 HN TYR 68 135.169 17.574 -11.891 544 HA TYR 68 HA TYR 68 136.476 18.328 -9.457 545 1HB TYR 68 HB2 TYR 68 134.188 17.237 -9.693 546 2HB TYR 68 HB1 TYR 68 135.034 15.713 -9.960 547 HD1 TYR 68 HD2 TYR 68 134.837 18.580 -7.558 548 HD2 TYR 68 HD1 TYR 68 135.724 14.416 -8.131 549 HE1 TYR 68 HE2 TYR 68 135.113 18.301 -5.109 550 HE2 TYR 68 HE1 TYR 68 136.000 14.138 -5.682 551 HH TYR 68 HH TYR 68 136.584 15.643 -3.717 552 H GLN 69 HN GLN 69 138.341 17.580 -8.544 553 HA GLN 69 HA GLN 69 139.530 15.055 -9.594 554 1HB GLN 69 HB2 GLN 69 140.738 17.800 -9.561 555 2HB GLN 69 HB1 GLN 69 141.787 16.407 -9.292 556 1HG GLN 69 HG2 GLN 69 140.526 15.446 -11.409 557 2HG GLN 69 HG1 GLN 69 140.216 17.151 -11.735 558 1HE2 GLN 69 HE22 GLN 69 143.418 17.521 -13.130 559 2HE2 GLN 69 HE21 GLN 69 141.765 17.902 -13.185 560 H ALA 70 HN ALA 70 139.789 13.749 -7.861 561 HA ALA 70 HA ALA 70 139.919 14.861 -5.147 562 1HB ALA 70 HB3 ALA 70 138.659 12.746 -5.767 563 2HB ALA 70 HB2 ALA 70 140.227 11.968 -5.988 564 3HB ALA 70 HB1 ALA 70 139.762 12.580 -4.401 565 H GLN 71 HN GLN 71 141.707 14.544 -3.707 566 HA GLN 71 HA GLN 71 144.316 14.299 -5.122 567 1HB GLN 71 HB2 GLN 71 143.663 15.366 -2.356 568 2HB GLN 71 HB1 GLN 71 145.260 15.375 -3.106 569 1HG GLN 71 HG2 GLN 71 144.502 17.518 -3.622 570 2HG GLN 71 HG1 GLN 71 144.017 16.622 -5.063 571 1HE2 GLN 71 HE22 GLN 71 141.125 17.815 -2.395 572 2HE2 GLN 71 HE21 GLN 71 142.738 17.707 -1.877 573 H GLY 72 HN GLY 72 144.777 12.113 -5.173 574 1HA GLY 72 HA2 GLY 72 145.933 10.313 -4.017 575 2HA GLY 72 HA1 GLY 72 145.108 10.782 -2.533 576 H ALA 73 HN ALA 73 142.986 10.774 -5.215 577 HA ALA 73 HA ALA 73 142.103 7.995 -4.567 578 1HB ALA 73 HB3 ALA 73 140.566 10.557 -4.580 579 2HB ALA 73 HB2 ALA 73 139.750 9.109 -5.169 580 3HB ALA 73 HB1 ALA 73 140.395 9.152 -3.527 581 H VAL 74 HN VAL 74 141.358 6.792 -6.335 582 HA VAL 74 HA VAL 74 142.178 7.773 -8.974 583 HB VAL 74 HB VAL 74 140.795 5.173 -8.247 584 1HG1 VAL 74 HG12 VAL 74 140.816 5.893 -10.668 585 2HG1 VAL 74 HG11 VAL 74 142.579 5.862 -10.598 586 3HG1 VAL 74 HG13 VAL 74 141.660 4.376 -10.357 587 1HG2 VAL 74 HG23 VAL 74 143.715 5.969 -8.296 588 2HG2 VAL 74 HG22 VAL 74 142.813 5.248 -6.964 589 3HG2 VAL 74 HG21 VAL 74 143.191 4.287 -8.394 590 H VAL 75 HN VAL 75 140.808 9.102 -10.054 591 HA VAL 75 HA VAL 75 137.889 8.886 -9.620 592 HB VAL 75 HB VAL 75 139.434 10.829 -11.363 593 1HG1 VAL 75 HG12 VAL 75 136.985 10.538 -11.829 594 2HG1 VAL 75 HG11 VAL 75 136.655 11.009 -10.162 595 3HG1 VAL 75 HG13 VAL 75 137.402 12.158 -11.272 596 1HG2 VAL 75 HG23 VAL 75 140.091 10.910 -8.945 597 2HG2 VAL 75 HG22 VAL 75 139.285 12.382 -9.487 598 3HG2 VAL 75 HG21 VAL 75 138.400 11.192 -8.532 599 H VAL 76 HN VAL 76 136.454 8.205 -11.211 600 HA VAL 76 HA VAL 76 137.586 7.446 -13.863 601 HB VAL 76 HB VAL 76 136.265 5.315 -13.744 602 1HG1 VAL 76 HG12 VAL 76 138.714 5.447 -13.203 603 2HG1 VAL 76 HG11 VAL 76 138.283 5.627 -11.502 604 3HG1 VAL 76 HG13 VAL 76 137.881 4.140 -12.361 605 1HG2 VAL 76 HG21 VAL 76 134.869 6.392 -11.767 606 2HG2 VAL 76 HG23 VAL 76 135.153 4.652 -11.809 607 3HG2 VAL 76 HG22 VAL 76 136.137 5.681 -10.768 608 H HIS 77 HN HIS 77 135.681 6.842 -15.385 609 HA HIS 77 HA HIS 77 133.153 8.228 -14.715 610 1HB HIS 77 HB2 HIS 77 134.784 8.986 -17.159 611 2HB HIS 77 HB1 HIS 77 133.233 9.672 -16.674 612 HD1 HIS 77 HD1 HIS 77 133.233 11.432 -14.814 613 HD2 HIS 77 HD2 HIS 77 137.003 9.783 -15.489 614 HE1 HIS 77 HE1 HIS 77 134.878 12.847 -13.509 615 H ASP 78 HN ASP 78 133.806 5.458 -15.173 616 HA ASP 78 HA ASP 78 131.834 4.860 -17.236 617 1HB ASP 78 HB2 ASP 78 134.081 5.231 -18.453 618 2HB ASP 78 HB1 ASP 78 134.596 3.727 -17.688 619 H VAL 79 HN VAL 79 130.765 3.065 -16.562 620 HA VAL 79 HA VAL 79 131.492 1.658 -14.183 621 HB VAL 79 HB VAL 79 129.655 0.683 -16.390 622 1HG1 VAL 79 HG12 VAL 79 130.070 0.002 -13.487 623 2HG1 VAL 79 HG11 VAL 79 128.500 -0.254 -14.246 624 3HG1 VAL 79 HG13 VAL 79 129.925 -1.085 -14.869 625 1HG2 VAL 79 HG22 VAL 79 129.324 2.747 -14.234 626 2HG2 VAL 79 HG21 VAL 79 128.748 2.778 -15.900 627 3HG2 VAL 79 HG23 VAL 79 127.938 1.765 -14.704 628 H ALA 80 HN ALA 80 132.027 0.962 -17.611 629 HA ALA 80 HA ALA 80 132.983 -1.717 -17.307 630 1HB ALA 80 HB2 ALA 80 132.366 -0.647 -19.490 631 2HB ALA 80 HB1 ALA 80 133.836 0.321 -19.385 632 3HB ALA 80 HB3 ALA 80 133.944 -1.433 -19.526 633 H ALA 81 HN ALA 81 134.575 1.430 -17.044 634 HA ALA 81 HA ALA 81 137.268 0.415 -16.896 635 1HB ALA 81 HB1 ALA 81 136.715 2.796 -17.371 636 2HB ALA 81 HB3 ALA 81 136.133 2.969 -15.716 637 3HB ALA 81 HB2 ALA 81 137.836 2.631 -16.021 638 H VAL 82 HN VAL 82 134.781 1.109 -14.459 639 HA VAL 82 HA VAL 82 136.416 0.670 -12.151 640 HB VAL 82 HB VAL 82 133.447 0.123 -12.436 641 1HG1 VAL 82 HG11 VAL 82 135.323 0.574 -10.118 642 2HG1 VAL 82 HG13 VAL 82 133.598 0.914 -9.970 643 3HG1 VAL 82 HG12 VAL 82 134.146 -0.720 -10.344 644 1HG2 VAL 82 HG21 VAL 82 135.021 2.666 -12.020 645 2HG2 VAL 82 HG23 VAL 82 133.730 2.354 -13.180 646 3HG2 VAL 82 HG22 VAL 82 133.353 2.520 -11.466 647 H PHE 83 HN PHE 83 134.719 -1.521 -14.319 648 HA PHE 83 HA PHE 83 135.179 -3.850 -12.586 649 1HB PHE 83 HB2 PHE 83 133.856 -3.346 -15.219 650 2HB PHE 83 HB1 PHE 83 134.425 -4.981 -14.886 651 HD1 PHE 83 HD1 PHE 83 133.825 -5.911 -12.477 652 HD2 PHE 83 HD2 PHE 83 131.741 -2.719 -14.457 653 HE1 PHE 83 HE1 PHE 83 131.849 -6.306 -11.032 654 HE2 PHE 83 HE2 PHE 83 129.765 -3.114 -13.012 655 HZ PHE 83 HZ PHE 83 129.818 -4.906 -11.300 656 H ALA 84 HN ALA 84 136.589 -2.386 -15.475 657 HA ALA 84 HA ALA 84 138.335 -4.537 -16.186 658 1HB ALA 84 HB2 ALA 84 138.365 -1.564 -16.664 659 2HB ALA 84 HB1 ALA 84 139.736 -2.557 -17.156 660 3HB ALA 84 HB3 ALA 84 138.136 -2.869 -17.828 661 H TYR 85 HN TYR 85 138.565 -1.981 -13.782 662 HA TYR 85 HA TYR 85 141.360 -2.198 -13.215 663 1HB TYR 85 HB2 TYR 85 140.034 -0.318 -12.382 664 2HB TYR 85 HB1 TYR 85 139.035 -1.404 -11.429 665 HD1 TYR 85 HD1 TYR 85 142.597 -2.238 -11.551 666 HD2 TYR 85 HD2 TYR 85 139.626 0.071 -9.470 667 HE1 TYR 85 HE1 TYR 85 144.144 -1.972 -9.634 668 HE2 TYR 85 HE2 TYR 85 141.175 0.328 -7.554 669 HH TYR 85 HH TYR 85 144.354 -0.109 -7.687 670 H ALA 86 HN ALA 86 138.671 -3.474 -11.217 671 HA ALA 86 HA ALA 86 140.294 -5.235 -9.694 672 1HB ALA 86 HB1 ALA 86 137.915 -4.528 -9.174 673 2HB ALA 86 HB3 ALA 86 137.381 -5.691 -10.389 674 3HB ALA 86 HB2 ALA 86 138.239 -6.248 -8.952 675 H LYS 87 HN LYS 87 138.883 -5.589 -12.880 676 HA LYS 87 HA LYS 87 138.990 -8.429 -13.125 677 1HB LYS 87 HB2 LYS 87 137.897 -6.839 -14.751 678 2HB LYS 87 HB1 LYS 87 139.510 -6.414 -15.329 679 1HG LYS 87 HG2 LYS 87 139.797 -9.018 -15.575 680 2HG LYS 87 HG1 LYS 87 138.032 -9.014 -15.591 681 1HD LYS 87 HD2 LYS 87 139.639 -7.183 -17.376 682 2HD LYS 87 HD1 LYS 87 139.209 -8.820 -17.871 683 1HE LYS 87 HE2 LYS 87 136.787 -8.135 -17.187 684 2HE LYS 87 HE1 LYS 87 137.395 -6.484 -17.311 685 1HZ LYS 87 HZ3 LYS 87 137.670 -8.504 -19.466 686 2HZ LYS 87 HZ2 LYS 87 136.401 -7.377 -19.389 687 3HZ LYS 87 HZ1 LYS 87 138.005 -6.844 -19.564 688 H GLN 88 HN GLN 88 141.491 -5.975 -13.280 689 HA GLN 88 HA GLN 88 143.492 -7.730 -14.474 690 1HB GLN 88 HB2 GLN 88 143.515 -4.996 -13.222 691 2HB GLN 88 HB1 GLN 88 145.037 -5.837 -13.519 692 1HG GLN 88 HG2 GLN 88 144.554 -6.023 -15.878 693 2HG GLN 88 HG1 GLN 88 142.918 -5.408 -15.641 694 1HE2 GLN 88 HE22 GLN 88 144.178 -2.201 -16.420 695 2HE2 GLN 88 HE21 GLN 88 143.094 -3.440 -16.830 696 H HIS 89 HN HIS 89 142.467 -6.864 -11.222 697 HA HIS 89 HA HIS 89 144.573 -8.693 -10.138 698 1HB HIS 89 HB2 HIS 89 143.138 -6.413 -8.739 699 2HB HIS 89 HB1 HIS 89 144.383 -7.440 -8.026 700 HD1 HIS 89 HD1 HIS 89 144.514 -4.242 -8.682 701 HD2 HIS 89 HD2 HIS 89 146.412 -7.328 -10.746 702 HE1 HIS 89 HE1 HIS 89 146.486 -3.197 -9.879 703 HA PRO 90 HA PRO 90 140.435 -10.923 -9.899 704 1HB PRO 90 HB2 PRO 90 142.146 -13.241 -9.472 705 2HB PRO 90 HB1 PRO 90 140.993 -12.933 -10.777 706 1HG PRO 90 HG2 PRO 90 143.851 -12.771 -10.858 707 2HG PRO 90 HG1 PRO 90 142.696 -12.506 -12.172 708 1HD PRO 90 HD2 PRO 90 144.289 -10.547 -10.945 709 2HD PRO 90 HD1 PRO 90 142.917 -10.259 -12.026 710 H ASP 91 HN ASP 91 143.354 -11.053 -7.903 711 HA ASP 91 HA ASP 91 142.193 -12.360 -5.631 712 1HB ASP 91 HB2 ASP 91 144.576 -10.562 -6.032 713 2HB ASP 91 HB1 ASP 91 144.096 -11.058 -4.409 714 H GLN 92 HN GLN 92 142.088 -9.048 -6.772 715 HA GLN 92 HA GLN 92 140.970 -8.068 -4.219 716 1HB GLN 92 HB2 GLN 92 141.362 -6.637 -6.867 717 2HB GLN 92 HB1 GLN 92 140.940 -5.879 -5.331 718 1HG GLN 92 HG2 GLN 92 143.416 -7.578 -5.564 719 2HG GLN 92 HG1 GLN 92 143.441 -5.885 -6.059 720 1HE2 GLN 92 HE22 GLN 92 143.022 -4.642 -2.712 721 2HE2 GLN 92 HE21 GLN 92 142.728 -4.268 -4.342 722 H GLU 93 HN GLU 93 138.821 -7.199 -4.069 723 HA GLU 93 HA GLU 93 136.961 -8.203 -6.188 724 1HB GLU 93 HB2 GLU 93 136.473 -7.966 -3.202 725 2HB GLU 93 HB1 GLU 93 135.290 -8.511 -4.390 726 1HG GLU 93 HG2 GLU 93 136.455 -10.500 -4.829 727 2HG GLU 93 HG1 GLU 93 137.970 -9.865 -4.189 728 H LEU 94 HN LEU 94 134.825 -6.948 -6.150 729 HA LEU 94 HA LEU 94 135.447 -4.044 -5.859 730 1HB LEU 94 HB2 LEU 94 134.750 -5.071 -8.120 731 2HB LEU 94 HB1 LEU 94 133.140 -5.220 -7.415 732 HG LEU 94 HG LEU 94 133.496 -2.693 -6.776 733 1HD1 LEU 94 HD13 LEU 94 135.920 -2.868 -7.644 734 2HD1 LEU 94 HD12 LEU 94 135.212 -2.835 -9.259 735 3HD1 LEU 94 HD11 LEU 94 134.979 -1.470 -8.166 736 1HD2 LEU 94 HD21 LEU 94 131.854 -3.712 -8.432 737 2HD2 LEU 94 HD23 LEU 94 132.357 -2.062 -8.799 738 3HD2 LEU 94 HD22 LEU 94 133.058 -3.416 -9.687 739 H VAL 95 HN VAL 95 134.431 -2.956 -4.254 740 HA VAL 95 HA VAL 95 131.934 -4.147 -3.107 741 HB VAL 95 HB VAL 95 134.007 -2.474 -1.654 742 1HG1 VAL 95 HG13 VAL 95 131.560 -2.481 -0.882 743 2HG1 VAL 95 HG12 VAL 95 131.798 -4.188 -0.502 744 3HG1 VAL 95 HG11 VAL 95 132.761 -2.960 0.318 745 1HG2 VAL 95 HG22 VAL 95 133.554 -5.465 -1.801 746 2HG2 VAL 95 HG21 VAL 95 135.038 -4.579 -2.154 747 3HG2 VAL 95 HG23 VAL 95 134.459 -4.703 -0.492 748 H ILE 96 HN ILE 96 130.179 -2.792 -2.995 749 HA ILE 96 HA ILE 96 130.578 0.006 -3.949 750 HB ILE 96 HB ILE 96 127.990 -1.559 -3.773 751 1HG1 ILE 96 HG12 ILE 96 129.562 -2.686 -5.309 752 2HG1 ILE 96 HG11 ILE 96 128.248 -1.928 -6.206 753 1HG2 ILE 96 HG21 ILE 96 127.900 0.962 -3.848 754 2HG2 ILE 96 HG23 ILE 96 128.704 0.884 -5.415 755 3HG2 ILE 96 HG22 ILE 96 127.106 0.168 -5.209 756 1HD1 ILE 96 HD13 ILE 96 131.012 -0.738 -5.798 757 2HD1 ILE 96 HD12 ILE 96 130.432 -1.492 -7.283 758 3HD1 ILE 96 HD11 ILE 96 129.697 0.004 -6.710 759 H ALA 97 HN ALA 97 130.483 1.561 -2.418 760 HA ALA 97 HA ALA 97 129.182 0.931 0.184 761 1HB ALA 97 HB1 ALA 97 131.288 2.882 -0.700 762 2HB ALA 97 HB3 ALA 97 130.359 3.211 0.762 763 3HB ALA 97 HB2 ALA 97 131.323 1.739 0.643 764 H GLY 98 HN GLY 98 128.914 3.009 -2.620 765 1HA GLY 98 HA2 GLY 98 126.355 3.704 -2.695 766 2HA GLY 98 HA1 GLY 98 126.834 4.661 -1.293 767 H GLY 99 HN GLY 99 127.318 7.101 -3.949 768 1HA GLY 99 HA2 GLY 99 125.673 6.238 -1.691 769 2HA GLY 99 HA1 GLY 99 125.357 7.622 -2.738 770 H ALA 100 HN ALA 100 123.122 6.990 -2.921 771 HA ALA 100 HA ALA 100 122.262 4.414 -3.833 772 1HB ALA 100 HB1 ALA 100 120.948 7.135 -4.095 773 2HB ALA 100 HB3 ALA 100 120.147 5.603 -4.436 774 3HB ALA 100 HB2 ALA 100 120.690 5.967 -2.798 775 H GLN 101 HN GLN 101 123.239 7.357 -5.539 776 HA GLN 101 HA GLN 101 122.412 6.576 -8.161 777 1HB GLN 101 HB2 GLN 101 123.388 8.854 -7.220 778 2HB GLN 101 HB1 GLN 101 124.921 8.165 -7.759 779 1HG GLN 101 HG2 GLN 101 124.060 7.885 -10.016 780 2HG GLN 101 HG1 GLN 101 122.456 8.414 -9.506 781 1HE2 GLN 101 HE22 GLN 101 123.325 11.874 -9.433 782 2HE2 GLN 101 HE21 GLN 101 122.208 10.718 -8.889 783 H ILE 102 HN ILE 102 125.207 5.722 -6.215 784 HA ILE 102 HA ILE 102 126.642 4.498 -8.459 785 HB ILE 102 HB ILE 102 127.142 4.193 -5.485 786 1HG1 ILE 102 HG12 ILE 102 127.146 6.575 -6.140 787 2HG1 ILE 102 HG11 ILE 102 128.778 6.027 -5.765 788 1HG2 ILE 102 HG22 ILE 102 128.789 3.673 -7.968 789 2HG2 ILE 102 HG21 ILE 102 129.505 3.803 -6.362 790 3HG2 ILE 102 HG23 ILE 102 128.340 2.525 -6.707 791 1HD1 ILE 102 HD13 ILE 102 129.192 5.686 -8.199 792 2HD1 ILE 102 HD12 ILE 102 127.585 6.327 -8.539 793 3HD1 ILE 102 HD11 ILE 102 128.814 7.365 -7.815 794 H PHE 103 HN PHE 103 124.630 3.420 -5.744 795 HA PHE 103 HA PHE 103 125.023 0.609 -6.080 796 1HB PHE 103 HB2 PHE 103 122.740 2.241 -4.950 797 2HB PHE 103 HB1 PHE 103 122.703 0.479 -4.981 798 HD1 PHE 103 HD1 PHE 103 125.377 -0.373 -4.351 799 HD2 PHE 103 HD2 PHE 103 123.190 2.977 -2.785 800 HE1 PHE 103 HE1 PHE 103 126.749 -0.441 -2.290 801 HE2 PHE 103 HE2 PHE 103 124.567 2.909 -0.723 802 HZ PHE 103 HZ PHE 103 126.346 1.199 -0.475 803 H THR 104 HN THR 104 122.866 2.913 -7.660 804 HA THR 104 HA THR 104 121.250 0.952 -9.025 805 HB THR 104 HB THR 104 121.783 3.694 -10.139 806 HG1 THR 104 HG1 THR 104 120.099 3.117 -7.936 807 1HG2 THR 104 HG21 THR 104 119.470 1.770 -9.984 808 2HG2 THR 104 HG23 THR 104 119.210 3.476 -10.351 809 3HG2 THR 104 HG22 THR 104 120.211 2.487 -11.414 810 H ALA 105 HN ALA 105 124.332 2.493 -9.711 811 HA ALA 105 HA ALA 105 124.477 1.748 -12.494 812 1HB ALA 105 HB1 ALA 105 125.906 3.504 -11.420 813 2HB ALA 105 HB3 ALA 105 126.763 2.225 -10.557 814 3HB ALA 105 HB2 ALA 105 126.840 2.307 -12.318 815 H PHE 106 HN PHE 106 125.616 0.216 -9.488 816 HA PHE 106 HA PHE 106 126.425 -2.181 -11.065 817 1HB PHE 106 HB2 PHE 106 126.967 -1.376 -8.192 818 2HB PHE 106 HB1 PHE 106 127.485 -2.903 -8.906 819 HD1 PHE 106 HD2 PHE 106 127.804 0.796 -9.170 820 HD2 PHE 106 HD1 PHE 106 129.393 -3.022 -10.332 821 HE1 PHE 106 HE2 PHE 106 129.799 1.917 -10.126 822 HE2 PHE 106 HE1 PHE 106 131.388 -1.901 -11.288 823 HZ PHE 106 HZ PHE 106 131.591 0.569 -11.185 824 H LYS 107 HN LYS 107 123.616 -1.528 -10.624 825 HA LYS 107 HA LYS 107 122.682 -3.386 -8.539 826 1HB LYS 107 HB2 LYS 107 121.501 -1.229 -9.035 827 2HB LYS 107 HB1 LYS 107 121.076 -1.875 -10.620 828 1HG LYS 107 HG2 LYS 107 120.160 -3.908 -9.202 829 2HG LYS 107 HG1 LYS 107 120.098 -2.706 -7.911 830 1HD LYS 107 HD2 LYS 107 118.907 -1.214 -9.694 831 2HD LYS 107 HD1 LYS 107 118.612 -2.741 -10.527 832 1HE LYS 107 HE2 LYS 107 117.233 -3.553 -8.845 833 2HE LYS 107 HE1 LYS 107 117.990 -2.557 -7.602 834 1HZ LYS 107 HZ2 LYS 107 117.001 -0.598 -8.720 835 2HZ LYS 107 HZ1 LYS 107 116.147 -1.652 -9.744 836 3HZ LYS 107 HZ3 LYS 107 115.849 -1.666 -8.074 837 H ASP 108 HN ASP 108 123.155 -3.342 -12.011 838 HA ASP 108 HA ASP 108 121.562 -5.761 -12.464 839 1HB ASP 108 HB2 ASP 108 123.340 -4.035 -14.183 840 2HB ASP 108 HB1 ASP 108 122.738 -5.587 -14.768 841 H ASP 109 HN ASP 109 124.898 -4.974 -11.755 842 HA ASP 109 HA ASP 109 125.613 -7.849 -12.161 843 1HB ASP 109 HB2 ASP 109 127.364 -5.373 -12.254 844 2HB ASP 109 HB1 ASP 109 127.973 -7.025 -12.342 845 H VAL 110 HN VAL 110 124.547 -7.965 -9.926 846 HA VAL 110 HA VAL 110 126.683 -7.689 -7.886 847 HB VAL 110 HB VAL 110 125.295 -5.662 -7.662 848 1HG1 VAL 110 HG13 VAL 110 123.229 -6.941 -8.609 849 2HG1 VAL 110 HG12 VAL 110 122.954 -7.406 -6.931 850 3HG1 VAL 110 HG11 VAL 110 122.967 -5.702 -7.383 851 1HG2 VAL 110 HG23 VAL 110 124.928 -7.747 -5.491 852 2HG2 VAL 110 HG22 VAL 110 126.214 -6.546 -5.606 853 3HG2 VAL 110 HG21 VAL 110 124.559 -6.035 -5.274 854 H ASP 111 HN ASP 111 126.875 -9.608 -6.857 855 HA ASP 111 HA ASP 111 124.517 -11.449 -6.850 856 1HB ASP 111 HB2 ASP 111 126.228 -13.266 -6.577 857 2HB ASP 111 HB1 ASP 111 126.386 -12.382 -8.096 858 H THR 112 HN THR 112 127.262 -10.281 -4.903 859 HA THR 112 HA THR 112 126.114 -11.515 -2.474 860 HB THR 112 HB THR 112 128.477 -9.660 -2.452 861 HG1 THR 112 HG1 THR 112 128.503 -12.377 -3.263 862 1HG2 THR 112 HG23 THR 112 127.795 -12.231 -0.999 863 2HG2 THR 112 HG22 THR 112 129.222 -11.237 -0.708 864 3HG2 THR 112 HG21 THR 112 127.617 -10.603 -0.345 865 H LEU 113 HN LEU 113 125.033 -10.359 -0.904 866 HA LEU 113 HA LEU 113 124.876 -7.394 -1.239 867 1HB LEU 113 HB2 LEU 113 122.560 -9.252 -0.613 868 2HB LEU 113 HB1 LEU 113 122.473 -7.494 -0.728 869 HG LEU 113 HG LEU 113 123.410 -9.263 -3.001 870 1HD1 LEU 113 HD13 LEU 113 120.950 -9.531 -2.180 871 2HD1 LEU 113 HD12 LEU 113 120.718 -7.918 -2.854 872 3HD1 LEU 113 HD11 LEU 113 121.235 -9.243 -3.897 873 1HD2 LEU 113 HD21 LEU 113 122.761 -6.336 -2.655 874 2HD2 LEU 113 HD23 LEU 113 124.207 -7.068 -3.351 875 3HD2 LEU 113 HD22 LEU 113 122.687 -7.096 -4.245 876 H LEU 114 HN LEU 114 126.177 -6.934 0.546 877 HA LEU 114 HA LEU 114 125.572 -8.221 3.143 878 1HB LEU 114 HB2 LEU 114 127.642 -6.117 2.432 879 2HB LEU 114 HB1 LEU 114 127.541 -6.998 3.958 880 HG LEU 114 HG LEU 114 127.674 -8.588 1.429 881 1HD1 LEU 114 HD13 LEU 114 130.046 -7.217 2.733 882 2HD1 LEU 114 HD12 LEU 114 130.160 -8.477 1.506 883 3HD1 LEU 114 HD11 LEU 114 129.438 -6.919 1.106 884 1HD2 LEU 114 HD21 LEU 114 127.440 -9.421 3.890 885 2HD2 LEU 114 HD23 LEU 114 128.612 -10.222 2.844 886 3HD2 LEU 114 HD22 LEU 114 129.154 -9.025 4.020 887 H VAL 115 HN VAL 115 123.980 -7.329 4.370 888 HA VAL 115 HA VAL 115 123.737 -4.354 4.396 889 HB VAL 115 HB VAL 115 121.966 -5.280 2.945 890 1HG1 VAL 115 HG11 VAL 115 121.938 -7.513 4.205 891 2HG1 VAL 115 HG13 VAL 115 120.900 -6.711 5.382 892 3HG1 VAL 115 HG12 VAL 115 120.373 -6.871 3.707 893 1HG2 VAL 115 HG23 VAL 115 121.478 -3.286 4.323 894 2HG2 VAL 115 HG22 VAL 115 120.036 -4.278 4.108 895 3HG2 VAL 115 HG21 VAL 115 120.923 -4.329 5.632 896 H THR 116 HN THR 116 122.985 -3.484 6.396 897 HA THR 116 HA THR 116 123.091 -5.414 8.683 898 HB THR 116 HB THR 116 123.830 -2.470 8.695 899 HG1 THR 116 HG1 THR 116 125.878 -3.117 8.497 900 1HG2 THR 116 HG22 THR 116 123.999 -4.690 10.743 901 2HG2 THR 116 HG21 THR 116 124.904 -3.183 10.892 902 3HG2 THR 116 HG23 THR 116 123.139 -3.156 10.882 903 H ARG 117 HN ARG 117 120.930 -5.760 9.109 904 HA ARG 117 HA ARG 117 118.926 -3.668 8.878 905 1HB ARG 117 HB2 ARG 117 118.919 -6.466 10.020 906 2HB ARG 117 HB1 ARG 117 117.510 -5.411 10.141 907 1HG ARG 117 HG2 ARG 117 118.164 -5.138 7.489 908 2HG ARG 117 HG1 ARG 117 118.615 -6.815 7.789 909 1HD ARG 117 HD2 ARG 117 116.064 -6.233 9.038 910 2HD ARG 117 HD1 ARG 117 116.022 -5.811 7.328 911 HE ARG 117 HE ARG 117 116.220 -8.100 6.793 912 1HH1 ARG 117 HH11 ARG 117 116.960 -7.574 10.172 913 2HH1 ARG 117 HH12 ARG 117 117.006 -9.265 10.526 914 1HH2 ARG 117 HH21 ARG 117 116.290 -10.274 7.298 915 2HH2 ARG 117 HH22 ARG 117 116.631 -10.778 8.920 916 H LEU 118 HN LEU 118 118.273 -2.248 10.433 917 HA LEU 118 HA LEU 118 119.570 -2.450 13.107 918 1HB LEU 118 HB2 LEU 118 118.846 -0.256 11.323 919 2HB LEU 118 HB1 LEU 118 118.210 0.001 12.946 920 HG LEU 118 HG LEU 118 120.964 -1.008 12.983 921 1HD1 LEU 118 HD13 LEU 118 120.957 0.344 10.844 922 2HD1 LEU 118 HD12 LEU 118 120.526 1.752 11.815 923 3HD1 LEU 118 HD11 LEU 118 122.065 0.933 12.083 924 1HD2 LEU 118 HD23 LEU 118 119.432 0.209 14.764 925 2HD2 LEU 118 HD22 LEU 118 121.170 0.507 14.741 926 3HD2 LEU 118 HD21 LEU 118 120.067 1.669 14.006 927 H ALA 119 HN ALA 119 117.967 -1.275 14.824 928 HA ALA 119 HA ALA 119 115.360 -2.727 14.596 929 1HB ALA 119 HB3 ALA 119 117.211 -2.241 16.915 930 2HB ALA 119 HB2 ALA 119 115.487 -2.480 17.206 931 3HB ALA 119 HB1 ALA 119 116.430 -3.741 16.412 932 H GLY 120 HN GLY 120 116.910 0.174 15.994 933 1HA GLY 120 HA2 GLY 120 114.428 1.486 16.643 934 2HA GLY 120 HA1 GLY 120 116.002 2.275 16.524 935 H SER 121 HN SER 121 113.304 3.089 15.473 936 HA SER 121 HA SER 121 113.638 2.941 12.547 937 1HB SER 121 HB2 SER 121 111.513 4.159 12.466 938 2HB SER 121 HB1 SER 121 111.378 2.802 13.581 939 HG SER 121 HG SER 121 111.590 4.201 15.286 940 H PHE 122 HN PHE 122 113.823 4.900 11.239 941 HA PHE 122 HA PHE 122 114.655 7.374 12.629 942 1HB PHE 122 HB2 PHE 122 116.478 5.930 10.679 943 2HB PHE 122 HB1 PHE 122 116.793 7.497 11.423 944 HD1 PHE 122 HD1 PHE 122 117.111 7.664 13.903 945 HD2 PHE 122 HD2 PHE 122 116.831 3.884 11.880 946 HE1 PHE 122 HE1 PHE 122 118.085 6.531 15.883 947 HE2 PHE 122 HE2 PHE 122 117.805 2.753 13.859 948 HZ PHE 122 HZ PHE 122 118.432 4.076 15.861 949 H GLU 123 HN GLU 123 114.376 9.212 11.330 950 HA GLU 123 HA GLU 123 113.072 8.702 8.688 951 1HB GLU 123 HB2 GLU 123 112.066 10.977 9.018 952 2HB GLU 123 HB1 GLU 123 111.589 9.819 10.261 953 1HG GLU 123 HG2 GLU 123 113.163 10.734 11.832 954 2HG GLU 123 HG1 GLU 123 113.914 11.732 10.587 955 H GLY 124 HN GLY 124 113.826 9.810 6.872 956 1HA GLY 124 HA2 GLY 124 115.738 11.985 7.038 957 2HA GLY 124 HA1 GLY 124 116.516 10.464 6.599 958 H ASP 125 HN ASP 125 117.000 11.195 4.468 959 HA ASP 125 HA ASP 125 114.612 11.333 2.673 960 1HB ASP 125 HB2 ASP 125 117.146 12.990 2.588 961 2HB ASP 125 HB1 ASP 125 116.029 12.873 1.229 962 H THR 126 HN THR 126 118.099 10.619 2.899 963 HA THR 126 HA THR 126 118.201 9.232 0.358 964 HB THR 126 HB THR 126 120.103 8.789 2.662 965 HG1 THR 126 HG1 THR 126 120.452 10.846 2.580 966 1HG2 THR 126 HG21 THR 126 120.145 7.548 0.362 967 2HG2 THR 126 HG23 THR 126 120.769 9.078 -0.256 968 3HG2 THR 126 HG22 THR 126 121.650 8.210 1.002 969 H LYS 127 HN LYS 127 117.056 7.385 0.053 970 HA LYS 127 HA LYS 127 116.970 5.402 2.293 971 1HB LYS 127 HB2 LYS 127 114.953 6.075 0.145 972 2HB LYS 127 HB1 LYS 127 114.884 4.560 1.047 973 1HG LYS 127 HG2 LYS 127 114.968 5.987 3.169 974 2HG LYS 127 HG1 LYS 127 114.656 7.376 2.126 975 1HD LYS 127 HD2 LYS 127 112.689 5.878 1.216 976 2HD LYS 127 HD1 LYS 127 112.871 5.049 2.763 977 1HE LYS 127 HE2 LYS 127 112.358 6.995 4.000 978 2HE LYS 127 HE1 LYS 127 112.656 8.054 2.622 979 1HZ LYS 127 HZ2 LYS 127 110.485 6.035 2.680 980 2HZ LYS 127 HZ1 LYS 127 110.264 7.649 3.162 981 3HZ LYS 127 HZ3 LYS 127 110.702 7.296 1.562 982 H MET 128 HN MET 128 116.904 3.105 1.540 983 HA MET 128 HA MET 128 118.921 2.665 -0.530 984 1HB MET 128 HB2 MET 128 118.749 1.309 1.591 985 2HB MET 128 HB1 MET 128 117.266 0.601 0.950 986 1HG MET 128 HG2 MET 128 119.062 -0.906 0.398 987 2HG MET 128 HG1 MET 128 118.592 -0.090 -1.094 988 1HE MET 128 HE3 MET 128 120.349 -0.748 -2.210 989 2HE MET 128 HE2 MET 128 121.902 0.075 -2.316 990 3HE MET 128 HE1 MET 128 121.720 -1.310 -1.242 991 H ILE 129 HN ILE 129 118.582 1.686 -2.548 992 HA ILE 129 HA ILE 129 115.994 2.095 -3.769 993 HB ILE 129 HB ILE 129 117.046 0.975 -5.747 994 1HG1 ILE 129 HG12 ILE 129 119.590 0.850 -4.136 995 2HG1 ILE 129 HG11 ILE 129 118.469 -0.512 -4.130 996 1HG2 ILE 129 HG23 ILE 129 117.363 3.419 -5.194 997 2HG2 ILE 129 HG22 ILE 129 118.890 2.986 -4.426 998 3HG2 ILE 129 HG21 ILE 129 118.665 2.720 -6.156 999 1HD1 ILE 129 HD13 ILE 129 118.538 -0.475 -6.652 1000 2HD1 ILE 129 HD12 ILE 129 119.828 0.723 -6.539 1001 3HD1 ILE 129 HD11 ILE 129 120.073 -0.900 -5.893 1002 HA PRO 130 HA PRO 130 114.134 -1.901 -3.169 1003 1HB PRO 130 HB2 PRO 130 112.772 -2.107 -5.609 1004 2HB PRO 130 HB1 PRO 130 112.188 -1.277 -4.159 1005 1HG PRO 130 HG2 PRO 130 112.974 -0.126 -6.659 1006 2HG PRO 130 HG1 PRO 130 112.366 0.696 -5.215 1007 1HD PRO 130 HD2 PRO 130 115.110 0.500 -6.200 1008 2HD PRO 130 HD1 PRO 130 114.440 1.572 -4.960 1009 H LEU 131 HN LEU 131 115.545 -3.619 -3.228 1010 HA LEU 131 HA LEU 131 116.633 -4.471 -5.872 1011 1HB LEU 131 HB2 LEU 131 117.473 -5.172 -3.043 1012 2HB LEU 131 HB1 LEU 131 118.217 -5.834 -4.498 1013 HG LEU 131 HG LEU 131 117.977 -2.859 -4.238 1014 1HD1 LEU 131 HD13 LEU 131 118.911 -3.733 -2.066 1015 2HD1 LEU 131 HD12 LEU 131 120.217 -4.477 -2.989 1016 3HD1 LEU 131 HD11 LEU 131 120.037 -2.722 -2.972 1017 1HD2 LEU 131 HD21 LEU 131 118.833 -4.165 -6.282 1018 2HD2 LEU 131 HD23 LEU 131 119.876 -2.877 -5.678 1019 3HD2 LEU 131 HD22 LEU 131 120.242 -4.560 -5.299 1020 H ASN 132 HN ASN 132 116.829 -6.948 -6.066 1021 HA ASN 132 HA ASN 132 114.173 -8.102 -5.502 1022 1HB ASN 132 HB2 ASN 132 115.633 -8.289 -7.705 1023 2HB ASN 132 HB1 ASN 132 116.376 -9.634 -6.840 1024 1HD2 ASN 132 HD22 ASN 132 112.373 -9.920 -7.780 1025 2HD2 ASN 132 HD21 ASN 132 113.054 -8.384 -7.541 1026 H TRP 133 HN TRP 133 113.858 -9.193 -3.636 1027 HA TRP 133 HA TRP 133 116.209 -10.459 -2.304 1028 1HB TRP 133 HB2 TRP 133 113.489 -9.657 -1.229 1029 2HB TRP 133 HB1 TRP 133 114.727 -10.485 -0.284 1030 HD1 TRP 133 HD1 TRP 133 113.793 -7.115 -1.700 1031 HE1 TRP 133 HE1 TRP 133 115.474 -5.343 -0.876 1032 HE3 TRP 133 HE3 TRP 133 117.296 -10.151 0.440 1033 HZ2 TRP 133 HZ2 TRP 133 117.976 -5.229 0.507 1034 HZ3 TRP 133 HZ3 TRP 133 119.316 -9.187 1.502 1035 HH2 TRP 133 HH2 TRP 133 119.661 -6.731 1.539 1036 H ASP 134 HN ASP 134 113.062 -11.111 -3.709 1037 HA ASP 134 HA ASP 134 112.618 -13.719 -2.640 1038 1HB ASP 134 HB2 ASP 134 111.210 -14.055 -4.689 1039 2HB ASP 134 HB1 ASP 134 110.853 -12.551 -3.839 1040 H ASP 135 HN ASP 135 114.711 -12.567 -5.211 1041 HA ASP 135 HA ASP 135 115.354 -15.356 -6.011 1042 1HB ASP 135 HB2 ASP 135 116.049 -12.652 -7.180 1043 2HB ASP 135 HB1 ASP 135 116.777 -14.152 -7.757 1044 H PHE 136 HN PHE 136 116.143 -14.469 -3.390 1045 HA PHE 136 HA PHE 136 119.065 -14.874 -3.646 1046 1HB PHE 136 HB2 PHE 136 117.749 -12.477 -2.378 1047 2HB PHE 136 HB1 PHE 136 119.313 -13.050 -1.798 1048 HD1 PHE 136 HD1 PHE 136 117.485 -11.747 -4.752 1049 HD2 PHE 136 HD2 PHE 136 121.318 -12.761 -3.094 1050 HE1 PHE 136 HE1 PHE 136 118.608 -10.607 -6.647 1051 HE2 PHE 136 HE2 PHE 136 122.438 -11.621 -4.989 1052 HZ PHE 136 HZ PHE 136 121.084 -10.545 -6.766 1053 H THR 137 HN THR 137 120.017 -15.605 -1.593 1054 HA THR 137 HA THR 137 117.998 -16.558 0.393 1055 HB THR 137 HB THR 137 120.391 -18.231 -0.342 1056 HG1 THR 137 HG1 THR 137 119.527 -18.521 -2.218 1057 1HG2 THR 137 HG23 THR 137 117.651 -18.762 0.831 1058 2HG2 THR 137 HG22 THR 137 118.790 -20.034 0.390 1059 3HG2 THR 137 HG21 THR 137 119.204 -18.880 1.657 1060 H LYS 138 HN LYS 138 119.002 -17.062 2.526 1061 HA LYS 138 HA LYS 138 121.218 -15.160 3.086 1062 1HB LYS 138 HB2 LYS 138 118.976 -15.189 4.379 1063 2HB LYS 138 HB1 LYS 138 119.598 -16.648 5.152 1064 1HG LYS 138 HG2 LYS 138 121.345 -15.509 6.202 1065 2HG LYS 138 HG1 LYS 138 121.316 -14.186 5.036 1066 1HD LYS 138 HD2 LYS 138 120.279 -13.170 6.850 1067 2HD LYS 138 HD1 LYS 138 118.877 -13.818 5.999 1068 1HE LYS 138 HE2 LYS 138 120.268 -15.545 8.017 1069 2HE LYS 138 HE1 LYS 138 119.188 -14.272 8.584 1070 1HZ LYS 138 HZ3 LYS 138 117.559 -15.233 6.887 1071 2HZ LYS 138 HZ2 LYS 138 118.560 -16.606 6.891 1072 3HZ LYS 138 HZ1 LYS 138 117.805 -16.097 8.325 1073 H VAL 139 HN VAL 139 123.235 -15.974 3.309 1074 HA VAL 139 HA VAL 139 123.538 -18.882 3.903 1075 HB VAL 139 HB VAL 139 125.602 -16.939 2.825 1076 1HG1 VAL 139 HG12 VAL 139 125.497 -19.943 3.177 1077 2HG1 VAL 139 HG11 VAL 139 126.653 -19.156 2.103 1078 3HG1 VAL 139 HG13 VAL 139 126.685 -18.817 3.833 1079 1HG2 VAL 139 HG21 VAL 139 123.683 -17.221 1.276 1080 2HG2 VAL 139 HG23 VAL 139 125.144 -17.974 0.637 1081 3HG2 VAL 139 HG22 VAL 139 123.883 -18.972 1.362 1082 H SER 140 HN SER 140 125.038 -15.735 4.721 1083 HA SER 140 HA SER 140 125.741 -16.906 7.385 1084 1HB SER 140 HB2 SER 140 127.242 -14.738 5.891 1085 2HB SER 140 HB1 SER 140 127.711 -15.473 7.420 1086 HG SER 140 HG SER 140 128.560 -17.043 6.326 1087 H SER 141 HN SER 141 125.429 -15.540 9.198 1088 HA SER 141 HA SER 141 124.528 -12.793 8.924 1089 1HB SER 141 HB2 SER 141 122.497 -14.178 8.243 1090 2HB SER 141 HB1 SER 141 122.464 -14.781 9.898 1091 HG SER 141 HG SER 141 121.734 -12.913 10.552 1092 H ARG 142 HN ARG 142 125.314 -11.850 10.731 1093 HA ARG 142 HA ARG 142 125.480 -13.495 13.225 1094 1HB ARG 142 HB2 ARG 142 127.652 -12.693 12.084 1095 2HB ARG 142 HB1 ARG 142 127.190 -11.080 12.628 1096 1HG ARG 142 HG2 ARG 142 127.155 -11.810 14.944 1097 2HG ARG 142 HG1 ARG 142 127.443 -13.482 14.459 1098 1HD ARG 142 HD2 ARG 142 129.610 -12.863 14.958 1099 2HD ARG 142 HD1 ARG 142 129.559 -12.382 13.262 1100 HE ARG 142 HE ARG 142 129.713 -10.142 13.957 1101 1HH1 ARG 142 HH21 ARG 142 128.655 -12.144 16.622 1102 2HH1 ARG 142 HH22 ARG 142 128.731 -10.844 17.760 1103 1HH2 ARG 142 HH11 ARG 142 129.798 -8.489 15.464 1104 2HH2 ARG 142 HH12 ARG 142 129.371 -8.797 17.113 1105 H THR 143 HN THR 143 124.092 -12.823 14.774 1106 HA THR 143 HA THR 143 122.790 -10.195 14.561 1107 HB THR 143 HB THR 143 122.471 -12.155 16.836 1108 HG1 THR 143 HG1 THR 143 120.978 -13.226 15.586 1109 1HG2 THR 143 HG22 THR 143 121.439 -9.780 16.747 1110 2HG2 THR 143 HG21 THR 143 120.377 -10.445 15.506 1111 3HG2 THR 143 HG23 THR 143 120.371 -11.129 17.131 1112 H VAL 144 HN VAL 144 123.125 -8.465 15.958 1113 HA VAL 144 HA VAL 144 125.065 -8.815 18.186 1114 HB VAL 144 HB VAL 144 125.280 -6.599 16.127 1115 1HG1 VAL 144 HG13 VAL 144 127.018 -7.437 18.468 1116 2HG1 VAL 144 HG12 VAL 144 127.456 -6.203 17.287 1117 3HG1 VAL 144 HG11 VAL 144 126.067 -5.955 18.347 1118 1HG2 VAL 144 HG22 VAL 144 126.990 -9.076 16.528 1119 2HG2 VAL 144 HG21 VAL 144 125.914 -8.782 15.162 1120 3HG2 VAL 144 HG23 VAL 144 127.337 -7.767 15.398 1121 H GLU 145 HN GLU 145 124.043 -8.039 19.955 1122 HA GLU 145 HA GLU 145 121.967 -5.937 19.621 1123 1HB GLU 145 HB2 GLU 145 122.657 -7.761 21.943 1124 2HB GLU 145 HB1 GLU 145 121.401 -6.524 22.001 1125 1HG GLU 145 HG2 GLU 145 120.338 -7.617 19.994 1126 2HG GLU 145 HG1 GLU 145 121.508 -8.927 20.158 1127 H ASP 146 HN ASP 146 122.075 -3.980 20.805 1128 HA ASP 146 HA ASP 146 124.804 -3.319 21.823 1129 1HB ASP 146 HB2 ASP 146 123.422 -2.038 19.878 1130 2HB ASP 146 HB1 ASP 146 122.842 -1.150 21.287 1131 H THR 147 HN THR 147 124.317 -1.137 23.361 1132 HA THR 147 HA THR 147 123.168 -2.293 25.762 1133 HB THR 147 HB THR 147 123.547 0.132 26.614 1134 HG1 THR 147 HG1 THR 147 124.755 1.402 25.282 1135 1HG2 THR 147 HG23 THR 147 125.070 -1.787 27.024 1136 2HG2 THR 147 HG22 THR 147 125.885 -1.443 25.498 1137 3HG2 THR 147 HG21 THR 147 125.952 -0.274 26.818 1138 H ASN 148 HN ASN 148 122.156 0.212 23.450 1139 HA ASN 148 HA ASN 148 119.617 0.604 24.916 1140 1HB ASN 148 HB2 ASN 148 120.917 1.929 22.539 1141 2HB ASN 148 HB1 ASN 148 119.214 2.203 22.909 1142 1HD2 ASN 148 HD22 ASN 148 119.903 4.409 25.564 1143 2HD2 ASN 148 HD21 ASN 148 118.740 3.712 24.544 1144 HA PRO 149 HA PRO 149 117.233 -2.058 22.267 1145 1HB PRO 149 HB2 PRO 149 114.818 -0.641 22.346 1146 2HB PRO 149 HB1 PRO 149 115.365 -1.830 23.536 1147 1HG PRO 149 HG2 PRO 149 115.048 0.994 23.875 1148 2HG PRO 149 HG1 PRO 149 115.574 -0.203 25.069 1149 1HD PRO 149 HD2 PRO 149 117.181 1.714 23.556 1150 2HD PRO 149 HD1 PRO 149 117.627 0.751 24.974 1151 H ALA 150 HN ALA 150 117.352 1.370 21.515 1152 HA ALA 150 HA ALA 150 116.349 0.866 18.763 1153 1HB ALA 150 HB1 ALA 150 116.871 3.356 20.386 1154 2HB ALA 150 HB3 ALA 150 116.663 3.438 18.636 1155 3HB ALA 150 HB2 ALA 150 115.360 2.819 19.650 1156 H LEU 151 HN LEU 151 118.933 -0.199 19.590 1157 HA LEU 151 HA LEU 151 120.590 1.100 17.507 1158 1HB LEU 151 HB2 LEU 151 121.399 0.789 20.406 1159 2HB LEU 151 HB1 LEU 151 122.581 0.982 19.111 1160 HG LEU 151 HG LEU 151 120.302 2.911 19.632 1161 1HD1 LEU 151 HD12 LEU 151 122.349 2.624 21.328 1162 2HD1 LEU 151 HD11 LEU 151 123.168 3.607 20.114 1163 3HD1 LEU 151 HD13 LEU 151 121.715 4.215 20.909 1164 1HD2 LEU 151 HD22 LEU 151 122.576 2.745 17.675 1165 2HD2 LEU 151 HD21 LEU 151 120.898 3.211 17.395 1166 3HD2 LEU 151 HD23 LEU 151 122.002 4.329 18.195 1167 H THR 152 HN THR 152 119.156 -1.494 17.863 1168 HA THR 152 HA THR 152 121.332 -3.466 18.160 1169 HB THR 152 HB THR 152 118.463 -3.958 17.320 1170 HG1 THR 152 HG1 THR 152 117.913 -3.787 19.342 1171 1HG2 THR 152 HG22 THR 152 120.534 -5.670 17.230 1172 2HG2 THR 152 HG21 THR 152 120.083 -5.870 18.924 1173 3HG2 THR 152 HG23 THR 152 118.901 -6.185 17.653 1174 H HIS 153 HN HIS 153 122.370 -4.426 16.450 1175 HA HIS 153 HA HIS 153 121.300 -3.899 13.709 1176 1HB HIS 153 HB2 HIS 153 123.682 -3.660 12.955 1177 2HB HIS 153 HB1 HIS 153 123.160 -2.376 14.044 1178 HD1 HIS 153 HD1 HIS 153 123.768 -2.896 16.697 1179 HD2 HIS 153 HD2 HIS 153 125.994 -4.910 13.805 1180 HE1 HIS 153 HE1 HIS 153 125.861 -3.725 17.855 1181 H THR 154 HN THR 154 121.789 -5.543 12.155 1182 HA THR 154 HA THR 154 123.039 -8.033 13.199 1183 HB THR 154 HB THR 154 120.357 -7.964 11.782 1184 HG1 THR 154 HG1 THR 154 119.589 -7.693 13.697 1185 1HG2 THR 154 HG22 THR 154 122.249 -10.101 12.635 1186 2HG2 THR 154 HG21 THR 154 120.528 -10.411 12.871 1187 3HG2 THR 154 HG23 THR 154 121.147 -10.058 11.258 1188 H TYR 155 HN TYR 155 124.612 -8.516 11.757 1189 HA TYR 155 HA TYR 155 124.610 -7.433 9.054 1190 1HB TYR 155 HB2 TYR 155 126.420 -9.526 10.301 1191 2HB TYR 155 HB1 TYR 155 126.734 -8.634 8.812 1192 HD1 TYR 155 HD1 TYR 155 126.551 -5.987 9.052 1193 HD2 TYR 155 HD2 TYR 155 127.330 -8.706 12.285 1194 HE1 TYR 155 HE1 TYR 155 127.553 -4.137 10.365 1195 HE2 TYR 155 HE2 TYR 155 128.333 -6.856 13.599 1196 HH TYR 155 HH TYR 155 129.513 -4.354 12.642 1197 H GLU 156 HN GLU 156 124.101 -8.507 7.159 1198 HA GLU 156 HA GLU 156 123.375 -11.393 7.339 1199 1HB GLU 156 HB2 GLU 156 121.667 -9.147 6.246 1200 2HB GLU 156 HB1 GLU 156 121.393 -10.839 5.831 1201 1HG GLU 156 HG2 GLU 156 120.930 -11.426 8.094 1202 2HG GLU 156 HG1 GLU 156 121.558 -9.891 8.696 1203 H VAL 157 HN VAL 157 124.127 -12.546 5.611 1204 HA VAL 157 HA VAL 157 125.262 -10.990 3.322 1205 HB VAL 157 HB VAL 157 126.041 -13.765 4.269 1206 1HG1 VAL 157 HG13 VAL 157 127.017 -11.880 2.133 1207 2HG1 VAL 157 HG12 VAL 157 128.117 -13.057 2.851 1208 3HG1 VAL 157 HG11 VAL 157 126.666 -13.603 2.011 1209 1HG2 VAL 157 HG23 VAL 157 126.934 -11.031 5.047 1210 2HG2 VAL 157 HG22 VAL 157 126.933 -12.523 5.988 1211 3HG2 VAL 157 HG21 VAL 157 128.198 -12.234 4.794 1212 H TRP 158 HN TRP 158 123.375 -11.008 2.030 1213 HA TRP 158 HA TRP 158 122.014 -13.552 1.465 1214 1HB TRP 158 HB2 TRP 158 121.656 -10.752 0.357 1215 2HB TRP 158 HB1 TRP 158 120.655 -12.130 -0.101 1216 HD1 TRP 158 HD1 TRP 158 121.698 -10.213 3.090 1217 HE1 TRP 158 HE1 TRP 158 119.743 -10.319 4.766 1218 HE3 TRP 158 HE3 TRP 158 118.473 -13.207 0.497 1219 HZ2 TRP 158 HZ2 TRP 158 117.154 -11.516 4.980 1220 HZ3 TRP 158 HZ3 TRP 158 116.272 -13.814 1.460 1221 HH2 TRP 158 HH2 TRP 158 115.609 -12.973 3.696 1222 H GLN 159 HN GLN 159 122.431 -14.843 -0.278 1223 HA GLN 159 HA GLN 159 124.394 -13.826 -2.296 1224 1HB GLN 159 HB2 GLN 159 124.005 -16.516 -1.015 1225 2HB GLN 159 HB1 GLN 159 124.712 -16.416 -2.628 1226 1HG GLN 159 HG2 GLN 159 125.776 -14.605 -0.495 1227 2HG GLN 159 HG1 GLN 159 126.250 -16.304 -0.466 1228 1HE2 GLN 159 HE22 GLN 159 128.003 -16.084 -3.631 1229 2HE2 GLN 159 HE21 GLN 159 127.043 -17.150 -2.724 1230 H LYS 160 HN LYS 160 124.019 -14.425 -4.507 1231 HA LYS 160 HA LYS 160 121.199 -14.561 -5.224 1232 1HB LYS 160 HB2 LYS 160 123.115 -13.357 -6.490 1233 2HB LYS 160 HB1 LYS 160 123.494 -14.951 -7.142 1234 1HG LYS 160 HG2 LYS 160 121.264 -15.163 -8.076 1235 2HG LYS 160 HG1 LYS 160 120.756 -13.661 -7.302 1236 1HD LYS 160 HD2 LYS 160 122.752 -12.603 -8.620 1237 2HD LYS 160 HD1 LYS 160 122.630 -14.048 -9.624 1238 1HE LYS 160 HE2 LYS 160 120.311 -12.193 -9.012 1239 2HE LYS 160 HE1 LYS 160 121.266 -12.136 -10.493 1240 1HZ LYS 160 HZ2 LYS 160 120.680 -14.541 -10.782 1241 2HZ LYS 160 HZ1 LYS 160 119.555 -14.351 -9.522 1242 3HZ LYS 160 HZ3 LYS 160 119.385 -13.454 -10.953 1243 H LYS 161 HN LYS 161 120.153 -16.297 -6.304 1244 HA LYS 161 HA LYS 161 121.069 -18.948 -5.522 1245 1HB LYS 161 HB2 LYS 161 118.696 -17.848 -7.000 1246 2HB LYS 161 HB1 LYS 161 119.032 -19.579 -7.066 1247 1HG LYS 161 HG2 LYS 161 118.695 -19.870 -4.777 1248 2HG LYS 161 HG1 LYS 161 119.040 -18.180 -4.409 1249 1HD LYS 161 HD2 LYS 161 116.928 -17.465 -5.296 1250 2HD LYS 161 HD1 LYS 161 116.616 -19.053 -5.997 1251 1HE LYS 161 HE2 LYS 161 117.010 -18.694 -3.026 1252 2HE LYS 161 HE1 LYS 161 115.427 -18.497 -3.777 1253 1HZ LYS 161 HZ1 LYS 161 115.898 -20.757 -4.822 1254 2HZ LYS 161 HZ3 LYS 161 117.119 -20.914 -3.655 1255 3HZ LYS 161 HZ2 LYS 161 115.502 -20.725 -3.170 1256 H ALA 162 HN ALA 162 120.165 -17.720 -8.764 1257 HA ALA 162 HA ALA 162 122.635 -18.888 -9.892 1258 1HB ALA 162 HB3 ALA 162 120.787 -20.668 -9.856 1259 2HB ALA 162 HB2 ALA 162 119.951 -19.669 -11.044 1260 3HB ALA 162 HB1 ALA 162 121.535 -20.347 -11.420 1261 1HN2 MTX 170 1HN2 MTX 170 128.520 -1.500 8.213 1262 2HN2 MTX 170 2HN2 MTX 170 128.396 -2.065 6.618 1263 1HN4 MTX 170 1HN4 MTX 170 128.377 0.926 2.962 1264 2HN4 MTX 170 2HN4 MTX 170 128.496 2.598 3.229 1265 H7 MTX 170 H7 MTX 170 128.959 5.446 8.371 1266 1H9 MTX 170 H91 MTX 170 127.867 6.653 5.542 1267 2H9 MTX 170 H92 MTX 170 129.477 6.345 4.878 1268 1HM MTX 170 HM1 MTX 170 128.286 8.315 8.089 1269 2HM MTX 170 HM2 MTX 170 129.371 9.298 7.060 1270 3HM MTX 170 HM3 MTX 170 127.886 8.579 6.365 1271 H12 MTX 170 H13 MTX 170 132.523 7.604 10.163 1272 H13 MTX 170 H12 MTX 170 130.274 8.031 9.167 1273 H15 MTX 170 H16 MTX 170 131.479 5.919 5.574 1274 H16 MTX 170 H15 MTX 170 133.723 5.498 6.580 1275 HN MTX 170 HN MTX 170 134.469 4.296 8.501 1276 HA MTX 170 HA MTX 170 137.004 5.474 9.249 1277 1HB MTX 170 HB1 MTX 170 135.949 3.468 11.263 1278 2HB MTX 170 HB2 MTX 170 135.452 5.146 11.411 1279 1HG MTX 170 HG1 MTX 170 137.669 5.896 11.820 1280 2HG MTX 170 HG2 MTX 170 138.397 4.522 10.992 1281 HN1 MTX 170 H1N MTX 170 128.686 0.769 8.656 No H/Q in entry = 1281 Start of MODEL 14 1 1H THR 1 HT2 THR 1 133.030 -9.092 -5.742 2 2H THR 1 HT1 THR 1 133.765 -7.997 -6.814 3 3H THR 1 HT3 THR 1 133.464 -7.537 -5.210 4 HA THR 1 HA THR 1 131.796 -6.503 -6.487 5 HB THR 1 HB THR 1 130.900 -9.131 -7.619 6 HG1 THR 1 HG1 THR 1 132.972 -7.487 -8.644 7 1HG2 THR 1 HG21 THR 1 130.864 -6.266 -8.605 8 2HG2 THR 1 HG23 THR 1 130.150 -7.640 -9.448 9 3HG2 THR 1 HG22 THR 1 129.503 -7.130 -7.888 10 H ALA 2 HN ALA 2 130.790 -6.198 -4.502 11 HA ALA 2 HA ALA 2 128.591 -8.013 -3.852 12 1HB ALA 2 HB2 ALA 2 130.578 -9.067 -2.728 13 2HB ALA 2 HB1 ALA 2 130.773 -7.588 -1.790 14 3HB ALA 2 HB3 ALA 2 129.316 -8.565 -1.604 15 H PHE 3 HN PHE 3 126.942 -6.797 -3.056 16 HA PHE 3 HA PHE 3 127.295 -3.945 -2.649 17 1HB PHE 3 HB2 PHE 3 125.018 -5.881 -2.553 18 2HB PHE 3 HB1 PHE 3 124.817 -4.336 -1.728 19 HD1 PHE 3 HD1 PHE 3 126.628 -5.234 -4.898 20 HD2 PHE 3 HD2 PHE 3 123.463 -2.985 -3.060 21 HE1 PHE 3 HE1 PHE 3 126.155 -4.127 -7.067 22 HE2 PHE 3 HE2 PHE 3 122.991 -1.878 -5.227 23 HZ PHE 3 HZ PHE 3 124.336 -2.449 -7.230 24 H LEU 4 HN LEU 4 127.140 -2.795 -0.671 25 HA LEU 4 HA LEU 4 126.863 -4.296 1.852 26 1HB LEU 4 HB2 LEU 4 129.279 -4.509 1.247 27 2HB LEU 4 HB1 LEU 4 129.399 -2.749 1.230 28 HG LEU 4 HG LEU 4 128.391 -2.923 3.646 29 1HD1 LEU 4 HD13 LEU 4 129.284 -5.724 3.020 30 2HD1 LEU 4 HD12 LEU 4 129.431 -5.107 4.665 31 3HD1 LEU 4 HD11 LEU 4 127.849 -5.184 3.890 32 1HD2 LEU 4 HD21 LEU 4 131.230 -3.727 2.941 33 2HD2 LEU 4 HD23 LEU 4 130.633 -2.088 3.201 34 3HD2 LEU 4 HD22 LEU 4 130.714 -3.221 4.549 35 H TRP 5 HN TRP 5 125.376 -3.022 2.857 36 HA TRP 5 HA TRP 5 126.022 -0.190 3.303 37 1HB TRP 5 HB2 TRP 5 123.945 0.687 2.412 38 2HB TRP 5 HB1 TRP 5 124.744 -0.231 1.142 39 HD1 TRP 5 HD1 TRP 5 121.518 0.122 2.840 40 HE1 TRP 5 HE1 TRP 5 119.943 -1.835 2.265 41 HE3 TRP 5 HE3 TRP 5 124.853 -3.103 0.693 42 HZ2 TRP 5 HZ2 TRP 5 120.075 -4.419 1.059 43 HZ3 TRP 5 HZ3 TRP 5 124.097 -5.306 -0.154 44 HH2 TRP 5 HH2 TRP 5 121.715 -5.965 0.023 45 H ALA 6 HN ALA 6 124.308 0.795 4.824 46 HA ALA 6 HA ALA 6 123.241 -1.331 6.641 47 1HB ALA 6 HB1 ALA 6 125.263 -0.168 7.560 48 2HB ALA 6 HB3 ALA 6 124.376 1.355 7.474 49 3HB ALA 6 HB2 ALA 6 123.820 0.070 8.545 50 H GLN 7 HN GLN 7 121.073 -1.166 6.952 51 HA GLN 7 HA GLN 7 119.800 1.518 6.645 52 1HB GLN 7 HB2 GLN 7 117.883 0.380 5.499 53 2HB GLN 7 HB1 GLN 7 119.379 0.325 4.567 54 1HG GLN 7 HG2 GLN 7 119.791 -1.947 5.181 55 2HG GLN 7 HG1 GLN 7 118.543 -1.909 6.426 56 1HE2 GLN 7 HE22 GLN 7 115.844 -2.281 4.092 57 2HE2 GLN 7 HE21 GLN 7 116.240 -1.684 5.631 58 H ASP 8 HN ASP 8 117.606 1.575 7.677 59 HA ASP 8 HA ASP 8 117.576 -0.173 10.098 60 1HB ASP 8 HB2 ASP 8 116.125 1.654 11.068 61 2HB ASP 8 HB1 ASP 8 117.770 2.161 10.689 62 H ARG 9 HN ARG 9 115.033 -0.011 10.947 63 HA ARG 9 HA ARG 9 113.598 -1.774 9.220 64 1HB ARG 9 HB2 ARG 9 111.659 -1.292 10.749 65 2HB ARG 9 HB1 ARG 9 113.132 -1.759 11.598 66 1HG ARG 9 HG2 ARG 9 113.584 0.458 12.281 67 2HG ARG 9 HG1 ARG 9 112.480 1.142 11.088 68 1HD ARG 9 HD2 ARG 9 111.463 1.230 13.319 69 2HD ARG 9 HD1 ARG 9 110.569 0.110 12.290 70 HE ARG 9 HE ARG 9 112.548 -1.384 13.669 71 1HH1 ARG 9 HH21 ARG 9 109.643 0.442 14.348 72 2HH1 ARG 9 HH22 ARG 9 109.256 -0.501 15.744 73 1HH2 ARG 9 HH11 ARG 9 112.009 -2.578 15.482 74 2HH2 ARG 9 HH12 ARG 9 110.580 -2.193 16.381 75 H ASP 10 HN ASP 10 113.676 1.725 9.454 76 HA ASP 10 HA ASP 10 111.243 2.158 7.920 77 1HB ASP 10 HB2 ASP 10 113.550 3.919 8.753 78 2HB ASP 10 HB1 ASP 10 112.281 4.510 7.679 79 H GLY 11 HN GLY 11 114.694 1.920 7.183 80 1HA GLY 11 HA2 GLY 11 115.321 0.985 4.975 81 2HA GLY 11 HA1 GLY 11 113.975 1.890 4.280 82 H LEU 12 HN LEU 12 116.052 3.313 6.716 83 HA LEU 12 HA LEU 12 116.963 5.293 4.692 84 1HB LEU 12 HB2 LEU 12 115.837 5.939 6.929 85 2HB LEU 12 HB1 LEU 12 117.367 5.486 7.678 86 HG LEU 12 HG LEU 12 118.466 7.042 5.935 87 1HD1 LEU 12 HD13 LEU 12 115.568 7.919 5.774 88 2HD1 LEU 12 HD12 LEU 12 116.925 8.886 5.195 89 3HD1 LEU 12 HD11 LEU 12 116.571 7.327 4.449 90 1HD2 LEU 12 HD23 LEU 12 118.232 7.549 8.366 91 2HD2 LEU 12 HD22 LEU 12 118.101 8.997 7.368 92 3HD2 LEU 12 HD21 LEU 12 116.649 8.257 8.042 93 H ILE 13 HN ILE 13 119.082 5.360 4.064 94 HA ILE 13 HA ILE 13 120.967 3.492 5.429 95 HB ILE 13 HB ILE 13 122.310 3.710 3.321 96 1HG1 ILE 13 HG12 ILE 13 119.866 5.135 2.235 97 2HG1 ILE 13 HG11 ILE 13 121.313 5.992 2.769 98 1HG2 ILE 13 HG21 ILE 13 120.487 1.957 3.739 99 2HG2 ILE 13 HG23 ILE 13 119.450 2.943 2.709 100 3HG2 ILE 13 HG22 ILE 13 120.928 2.238 2.054 101 1HD1 ILE 13 HD13 ILE 13 121.638 3.714 0.854 102 2HD1 ILE 13 HD12 ILE 13 121.036 5.251 0.234 103 3HD1 ILE 13 HD11 ILE 13 122.608 5.176 1.030 104 H GLY 14 HN GLY 14 120.458 6.847 4.530 105 1HA GLY 14 HA2 GLY 14 122.663 7.634 6.327 106 2HA GLY 14 HA1 GLY 14 122.814 8.150 4.646 107 H LYS 15 HN LYS 15 122.727 10.302 5.958 108 HA LYS 15 HA LYS 15 120.074 11.446 5.547 109 1HB LYS 15 HB2 LYS 15 119.890 10.417 7.830 110 2HB LYS 15 HB1 LYS 15 121.217 11.455 8.355 111 1HG LYS 15 HG2 LYS 15 119.927 13.451 7.844 112 2HG LYS 15 HG1 LYS 15 118.628 12.476 7.155 113 1HD LYS 15 HD2 LYS 15 118.181 11.458 9.324 114 2HD LYS 15 HD1 LYS 15 119.553 12.307 10.037 115 1HE LYS 15 HE2 LYS 15 117.434 13.913 8.657 116 2HE LYS 15 HE1 LYS 15 117.106 13.288 10.274 117 1HZ LYS 15 HZ2 LYS 15 119.165 14.321 11.036 118 2HZ LYS 15 HZ1 LYS 15 119.431 14.958 9.484 119 3HZ LYS 15 HZ3 LYS 15 118.095 15.474 10.393 120 H ASP 16 HN ASP 16 120.615 13.312 4.540 121 HA ASP 16 HA ASP 16 121.723 15.314 4.032 122 1HB ASP 16 HB2 ASP 16 121.980 15.028 6.984 123 2HB ASP 16 HB1 ASP 16 123.045 16.201 6.205 124 H GLY 17 HN GLY 17 123.124 12.664 3.784 125 1HA GLY 17 HA2 GLY 17 125.251 12.294 2.718 126 2HA GLY 17 HA1 GLY 17 125.855 13.774 3.465 127 H HIS 18 HN HIS 18 125.153 13.313 6.136 128 HA HIS 18 HA HIS 18 127.091 11.175 6.824 129 1HB HIS 18 HB2 HIS 18 126.964 12.187 9.119 130 2HB HIS 18 HB1 HIS 18 127.487 13.328 7.880 131 HD1 HIS 18 HD1 HIS 18 124.377 12.352 9.832 132 HD2 HIS 18 HD2 HIS 18 125.827 15.552 7.588 133 HE1 HIS 18 HE1 HIS 18 122.704 14.234 10.104 134 H LEU 19 HN LEU 19 126.488 9.903 8.892 135 HA LEU 19 HA LEU 19 123.885 8.644 8.420 136 1HB LEU 19 HB2 LEU 19 126.105 8.085 10.406 137 2HB LEU 19 HB1 LEU 19 124.628 7.126 10.294 138 HG LEU 19 HG LEU 19 126.450 7.616 7.928 139 1HD1 LEU 19 HD13 LEU 19 126.393 5.305 9.890 140 2HD1 LEU 19 HD12 LEU 19 127.245 5.277 8.345 141 3HD1 LEU 19 HD11 LEU 19 127.737 6.410 9.603 142 1HD2 LEU 19 HD23 LEU 19 124.010 5.975 8.508 143 2HD2 LEU 19 HD22 LEU 19 124.417 6.897 7.061 144 3HD2 LEU 19 HD21 LEU 19 125.195 5.344 7.365 145 HA PRO 20 HA PRO 20 121.727 10.892 11.613 146 1HB PRO 20 HB2 PRO 20 119.653 9.061 11.967 147 2HB PRO 20 HB1 PRO 20 119.707 10.331 10.736 148 1HG PRO 20 HG2 PRO 20 119.889 7.476 10.386 149 2HG PRO 20 HG1 PRO 20 119.795 8.742 9.154 150 1HD PRO 20 HD2 PRO 20 122.113 7.231 10.022 151 2HD PRO 20 HD1 PRO 20 121.964 8.359 8.666 152 H TRP 21 HN TRP 21 122.582 7.507 12.073 153 HA TRP 21 HA TRP 21 122.391 7.898 15.033 154 1HB TRP 21 HB2 TRP 21 122.396 5.394 15.140 155 2HB TRP 21 HB1 TRP 21 121.012 6.045 14.261 156 HD1 TRP 21 HD1 TRP 21 124.476 4.492 13.594 157 HE1 TRP 21 HE1 TRP 21 124.424 3.360 11.280 158 HE3 TRP 21 HE3 TRP 21 119.808 5.866 12.044 159 HZ2 TRP 21 HZ2 TRP 21 122.640 3.074 9.064 160 HZ3 TRP 21 HZ3 TRP 21 118.958 5.149 9.829 161 HH2 TRP 21 HH2 TRP 21 120.368 3.757 8.339 162 H HIS 22 HN HIS 22 124.080 6.047 15.993 163 HA HIS 22 HA HIS 22 126.696 6.407 14.619 164 1HB HIS 22 HB2 HIS 22 126.324 8.184 16.418 165 2HB HIS 22 HB1 HIS 22 126.358 6.867 17.591 166 HD1 HIS 22 HD1 HIS 22 128.542 8.153 14.731 167 HD2 HIS 22 HD2 HIS 22 128.915 6.272 18.432 168 HE1 HIS 22 HE1 HIS 22 131.026 7.933 15.175 169 H LEU 23 HN LEU 23 126.658 4.166 14.125 170 HA LEU 23 HA LEU 23 126.739 2.331 16.487 171 1HB LEU 23 HB2 LEU 23 124.924 1.953 14.761 172 2HB LEU 23 HB1 LEU 23 126.202 1.572 13.605 173 HG LEU 23 HG LEU 23 127.030 -0.183 15.206 174 1HD1 LEU 23 HD12 LEU 23 124.598 0.785 16.689 175 2HD1 LEU 23 HD11 LEU 23 125.124 -0.890 16.858 176 3HD1 LEU 23 HD13 LEU 23 126.208 0.424 17.314 177 1HD2 LEU 23 HD23 LEU 23 125.229 -0.437 13.279 178 2HD2 LEU 23 HD22 LEU 23 125.568 -1.785 14.366 179 3HD2 LEU 23 HD21 LEU 23 124.146 -0.774 14.630 180 HA PRO 24 HA PRO 24 131.125 2.405 15.092 181 1HB PRO 24 HB2 PRO 24 131.854 1.207 17.590 182 2HB PRO 24 HB1 PRO 24 132.132 2.869 17.059 183 1HG PRO 24 HG2 PRO 24 130.323 1.958 19.048 184 2HG PRO 24 HG1 PRO 24 130.553 3.610 18.464 185 1HD PRO 24 HD2 PRO 24 128.351 1.810 17.955 186 2HD PRO 24 HD1 PRO 24 128.518 3.512 17.501 187 H ASP 25 HN ASP 25 129.178 -0.161 16.498 188 HA ASP 25 HA ASP 25 130.949 -2.353 16.005 189 1HB ASP 25 HB2 ASP 25 128.831 -2.403 17.402 190 2HB ASP 25 HB1 ASP 25 127.924 -2.442 15.890 191 H ASP 26 HN ASP 26 128.598 -0.674 13.966 192 HA ASP 26 HA ASP 26 128.790 -2.554 11.761 193 1HB ASP 26 HB2 ASP 26 126.871 -0.935 12.185 194 2HB ASP 26 HB1 ASP 26 127.937 0.347 11.610 195 H LEU 27 HN LEU 27 130.452 0.416 12.696 196 HA LEU 27 HA LEU 27 131.833 0.848 10.214 197 1HB LEU 27 HB2 LEU 27 132.488 1.638 13.066 198 2HB LEU 27 HB1 LEU 27 133.437 2.162 11.674 199 HG LEU 27 HG LEU 27 130.449 2.576 11.789 200 1HD1 LEU 27 HD12 LEU 27 132.656 4.141 13.082 201 2HD1 LEU 27 HD11 LEU 27 131.287 5.013 12.392 202 3HD1 LEU 27 HD13 LEU 27 131.023 3.822 13.666 203 1HD2 LEU 27 HD21 LEU 27 131.628 2.785 9.610 204 2HD2 LEU 27 HD23 LEU 27 130.972 4.331 10.149 205 3HD2 LEU 27 HD22 LEU 27 132.695 3.996 10.320 206 H HIS 28 HN HIS 28 132.509 -1.142 13.050 207 HA HIS 28 HA HIS 28 135.224 -1.798 12.432 208 1HB HIS 28 HB2 HIS 28 133.139 -3.480 13.858 209 2HB HIS 28 HB1 HIS 28 134.883 -3.731 13.921 210 HD1 HIS 28 HD1 HIS 28 135.619 -0.649 14.122 211 HD2 HIS 28 HD2 HIS 28 132.870 -2.639 16.543 212 HE1 HIS 28 HE1 HIS 28 135.430 0.705 16.254 213 H TYR 29 HN TYR 29 132.137 -3.200 11.409 214 HA TYR 29 HA TYR 29 133.374 -5.415 9.977 215 1HB TYR 29 HB2 TYR 29 130.964 -5.279 10.908 216 2HB TYR 29 HB1 TYR 29 130.604 -4.333 9.463 217 HD1 TYR 29 HD1 TYR 29 132.658 -7.392 10.208 218 HD2 TYR 29 HD2 TYR 29 129.609 -5.587 7.779 219 HE1 TYR 29 HE1 TYR 29 132.476 -9.481 8.884 220 HE2 TYR 29 HE2 TYR 29 129.428 -7.676 6.454 221 HH TYR 29 HH TYR 29 130.946 -9.648 5.919 222 H PHE 30 HN PHE 30 132.372 -2.135 9.209 223 HA PHE 30 HA PHE 30 132.481 -2.403 6.340 224 1HB PHE 30 HB2 PHE 30 131.354 -0.519 7.564 225 2HB PHE 30 HB1 PHE 30 132.950 0.094 7.998 226 HD1 PHE 30 HD2 PHE 30 131.091 -1.094 4.956 227 HD2 PHE 30 HD1 PHE 30 133.910 1.696 6.606 228 HE1 PHE 30 HE2 PHE 30 131.253 0.042 2.758 229 HE2 PHE 30 HE1 PHE 30 134.072 2.833 4.408 230 HZ PHE 30 HZ PHE 30 132.743 2.006 2.483 231 H ARG 31 HN ARG 31 134.845 -1.299 8.774 232 HA ARG 31 HA ARG 31 136.941 -0.669 6.937 233 1HB ARG 31 HB2 ARG 31 136.861 -0.051 9.389 234 2HB ARG 31 HB1 ARG 31 137.285 -1.722 9.759 235 1HG ARG 31 HG2 ARG 31 139.382 -1.532 8.597 236 2HG ARG 31 HG1 ARG 31 138.934 0.038 7.929 237 1HD ARG 31 HD2 ARG 31 139.145 1.122 10.009 238 2HD ARG 31 HD1 ARG 31 139.037 -0.391 10.910 239 HE ARG 31 HE ARG 31 141.456 0.750 9.787 240 1HH1 ARG 31 HH11 ARG 31 139.840 -2.250 10.577 241 2HH1 ARG 31 HH12 ARG 31 141.324 -3.122 10.743 242 1HH2 ARG 31 HH21 ARG 31 143.351 -0.417 10.011 243 2HH2 ARG 31 HH22 ARG 31 143.291 -2.097 10.426 244 H ALA 32 HN ALA 32 135.827 -3.710 8.290 245 HA ALA 32 HA ALA 32 138.191 -5.222 7.494 246 1HB ALA 32 HB2 ALA 32 135.404 -6.123 8.284 247 2HB ALA 32 HB1 ALA 32 136.780 -7.201 8.047 248 3HB ALA 32 HB3 ALA 32 136.805 -6.011 9.349 249 H GLN 33 HN GLN 33 135.111 -4.361 6.043 250 HA GLN 33 HA GLN 33 135.665 -6.147 3.727 251 1HB GLN 33 HB2 GLN 33 133.210 -4.467 4.329 252 2HB GLN 33 HB1 GLN 33 133.365 -5.668 3.046 253 1HG GLN 33 HG2 GLN 33 133.891 -6.468 5.894 254 2HG GLN 33 HG1 GLN 33 132.228 -6.348 5.313 255 1HE2 GLN 33 HE22 GLN 33 134.109 -9.705 4.532 256 2HE2 GLN 33 HE21 GLN 33 134.393 -8.676 5.851 257 H THR 34 HN THR 34 137.319 -3.818 4.151 258 HA THR 34 HA THR 34 136.825 -2.461 1.572 259 HB THR 34 HB THR 34 137.193 -0.211 2.662 260 HG1 THR 34 HG1 THR 34 136.617 -1.703 5.004 261 1HG2 THR 34 HG21 THR 34 134.947 -0.992 1.989 262 2HG2 THR 34 HG23 THR 34 134.748 -1.761 3.564 263 3HG2 THR 34 HG22 THR 34 134.872 -0.005 3.449 264 H VAL 35 HN VAL 35 138.901 -2.638 4.473 265 HA VAL 35 HA VAL 35 141.258 -1.577 3.274 266 HB VAL 35 HB VAL 35 142.464 -2.776 5.100 267 1HG1 VAL 35 HG13 VAL 35 141.375 -0.602 5.526 268 2HG1 VAL 35 HG12 VAL 35 139.877 -1.433 5.943 269 3HG1 VAL 35 HG11 VAL 35 141.307 -1.633 6.955 270 1HG2 VAL 35 HG21 VAL 35 139.874 -4.234 5.162 271 2HG2 VAL 35 HG23 VAL 35 141.493 -4.796 5.580 272 3HG2 VAL 35 HG22 VAL 35 140.568 -3.835 6.734 273 H GLY 36 HN GLY 36 142.828 -2.500 1.997 274 1HA GLY 36 HA2 GLY 36 143.897 -4.087 0.637 275 2HA GLY 36 HA1 GLY 36 143.258 -5.326 1.716 276 H LYS 37 HN LYS 37 141.171 -3.040 0.064 277 HA LYS 37 HA LYS 37 140.467 -5.020 -2.016 278 1HB LYS 37 HB2 LYS 37 138.682 -4.217 0.265 279 2HB LYS 37 HB1 LYS 37 137.972 -4.584 -1.307 280 1HG LYS 37 HG2 LYS 37 139.020 -6.790 -1.308 281 2HG LYS 37 HG1 LYS 37 139.839 -6.428 0.211 282 1HD LYS 37 HD2 LYS 37 137.489 -6.016 1.180 283 2HD LYS 37 HD1 LYS 37 136.883 -6.817 -0.271 284 1HE LYS 37 HE2 LYS 37 137.633 -8.874 0.391 285 2HE LYS 37 HE1 LYS 37 139.082 -8.216 1.150 286 1HZ LYS 37 HZ2 LYS 37 137.656 -7.372 2.951 287 2HZ LYS 37 HZ1 LYS 37 136.322 -8.150 2.243 288 3HZ LYS 37 HZ3 LYS 37 137.624 -9.066 2.830 289 H ILE 38 HN ILE 38 138.406 -3.947 -3.240 290 HA ILE 38 HA ILE 38 139.301 -1.186 -3.893 291 HB ILE 38 HB ILE 38 137.372 -2.984 -5.394 292 1HG1 ILE 38 HG12 ILE 38 140.287 -2.430 -6.014 293 2HG1 ILE 38 HG11 ILE 38 139.742 -3.870 -5.153 294 1HG2 ILE 38 HG23 ILE 38 138.807 -0.405 -6.084 295 2HG2 ILE 38 HG22 ILE 38 137.993 -1.417 -7.278 296 3HG2 ILE 38 HG21 ILE 38 137.066 -0.663 -5.981 297 1HD1 ILE 38 HD13 ILE 38 138.275 -4.443 -7.070 298 2HD1 ILE 38 HD12 ILE 38 138.879 -3.030 -7.936 299 3HD1 ILE 38 HD11 ILE 38 139.970 -4.359 -7.548 300 H MET 39 HN MET 39 138.183 0.434 -2.943 301 HA MET 39 HA MET 39 135.393 -0.070 -2.042 302 1HB MET 39 HB2 MET 39 137.236 0.918 -0.520 303 2HB MET 39 HB1 MET 39 137.028 2.399 -1.457 304 1HG MET 39 HG2 MET 39 134.750 2.618 -0.799 305 2HG MET 39 HG1 MET 39 134.692 0.968 -0.182 306 1HE MET 39 HE3 MET 39 136.663 4.079 -0.199 307 2HE MET 39 HE2 MET 39 135.474 4.768 0.904 308 3HE MET 39 HE1 MET 39 137.112 4.456 1.471 309 H VAL 40 HN VAL 40 133.795 0.609 -3.369 310 HA VAL 40 HA VAL 40 134.379 2.828 -5.282 311 HB VAL 40 HB VAL 40 132.130 0.795 -5.379 312 1HG1 VAL 40 HG12 VAL 40 133.166 2.910 -7.277 313 2HG1 VAL 40 HG11 VAL 40 132.145 1.577 -7.818 314 3HG1 VAL 40 HG13 VAL 40 131.532 2.734 -6.635 315 1HG2 VAL 40 HG21 VAL 40 134.456 -0.180 -5.595 316 2HG2 VAL 40 HG23 VAL 40 133.444 -0.394 -7.023 317 3HG2 VAL 40 HG22 VAL 40 134.690 0.854 -7.004 318 H VAL 41 HN VAL 41 133.590 4.756 -4.618 319 HA VAL 41 HA VAL 41 130.925 4.799 -3.268 320 HB VAL 41 HB VAL 41 131.787 6.687 -1.859 321 1HG1 VAL 41 HG13 VAL 41 131.691 4.379 -0.985 322 2HG1 VAL 41 HG12 VAL 41 133.306 4.070 -1.624 323 3HG1 VAL 41 HG11 VAL 41 133.080 5.246 -0.329 324 1HG2 VAL 41 HG23 VAL 41 133.669 7.293 -3.383 325 2HG2 VAL 41 HG22 VAL 41 134.208 7.034 -1.725 326 3HG2 VAL 41 HG21 VAL 41 134.477 5.789 -2.944 327 H GLY 42 HN GLY 42 129.658 6.664 -3.738 328 1HA GLY 42 HA2 GLY 42 130.341 7.950 -6.297 329 2HA GLY 42 HA1 GLY 42 128.807 8.101 -5.438 330 H ARG 43 HN ARG 43 129.143 10.455 -5.971 331 HA ARG 43 HA ARG 43 131.265 11.890 -4.567 332 1HB ARG 43 HB2 ARG 43 129.772 12.504 -6.735 333 2HB ARG 43 HB1 ARG 43 128.845 13.350 -5.494 334 1HG ARG 43 HG2 ARG 43 130.498 14.878 -5.112 335 2HG ARG 43 HG1 ARG 43 131.784 13.690 -5.322 336 1HD ARG 43 HD2 ARG 43 132.115 14.914 -7.246 337 2HD ARG 43 HD1 ARG 43 130.920 13.767 -7.853 338 HE ARG 43 HE ARG 43 129.361 15.531 -7.990 339 1HH1 ARG 43 HH11 ARG 43 132.094 16.481 -6.024 340 2HH1 ARG 43 HH12 ARG 43 131.576 18.128 -5.923 341 1HH2 ARG 43 HH21 ARG 43 128.729 17.669 -7.832 342 2HH2 ARG 43 HH22 ARG 43 129.692 18.795 -6.934 343 H ARG 44 HN ARG 44 127.806 11.281 -4.063 344 HA ARG 44 HA ARG 44 127.527 12.995 -1.767 345 1HB ARG 44 HB2 ARG 44 125.917 10.990 -3.178 346 2HB ARG 44 HB1 ARG 44 125.661 10.953 -1.434 347 1HG ARG 44 HG2 ARG 44 124.091 12.539 -2.274 348 2HG ARG 44 HG1 ARG 44 125.393 13.495 -1.564 349 1HD ARG 44 HD2 ARG 44 126.375 13.284 -4.047 350 2HD ARG 44 HD1 ARG 44 124.661 13.126 -4.431 351 HE ARG 44 HE ARG 44 125.988 15.556 -3.597 352 1HH1 ARG 44 HH21 ARG 44 122.978 13.787 -3.401 353 2HH1 ARG 44 HH22 ARG 44 122.035 15.217 -3.169 354 1HH2 ARG 44 HH11 ARG 44 124.730 17.381 -3.293 355 2HH2 ARG 44 HH12 ARG 44 123.015 17.231 -3.109 356 H THR 45 HN THR 45 128.269 9.532 -2.137 357 HA THR 45 HA THR 45 128.396 8.995 0.698 358 HB THR 45 HB THR 45 129.835 7.477 -1.491 359 HG1 THR 45 HG1 THR 45 127.795 7.498 -2.195 360 1HG2 THR 45 HG21 THR 45 128.675 6.667 1.189 361 2HG2 THR 45 HG23 THR 45 129.431 5.569 0.035 362 3HG2 THR 45 HG22 THR 45 130.389 6.831 0.810 363 H TYR 46 HN TYR 46 130.702 10.146 -1.696 364 HA TYR 46 HA TYR 46 133.104 9.719 -0.210 365 1HB TYR 46 HB2 TYR 46 132.880 10.421 -2.660 366 2HB TYR 46 HB1 TYR 46 132.603 12.057 -2.062 367 HD1 TYR 46 HD1 TYR 46 134.954 9.219 -1.305 368 HD2 TYR 46 HD2 TYR 46 134.478 13.424 -2.037 369 HE1 TYR 46 HE1 TYR 46 137.399 9.540 -1.048 370 HE2 TYR 46 HE2 TYR 46 136.924 13.746 -1.779 371 HH TYR 46 HH TYR 46 139.029 12.150 -2.093 372 H GLU 47 HN GLU 47 130.905 12.523 -0.362 373 HA GLU 47 HA GLU 47 132.388 14.130 1.508 374 1HB GLU 47 HB2 GLU 47 129.571 14.180 0.446 375 2HB GLU 47 HB1 GLU 47 130.053 15.270 1.747 376 1HG GLU 47 HG2 GLU 47 131.750 15.049 -0.726 377 2HG GLU 47 HG1 GLU 47 130.309 16.066 -0.735 378 H SER 48 HN SER 48 130.115 11.509 1.897 379 HA SER 48 HA SER 48 129.201 12.071 4.542 380 1HB SER 48 HB2 SER 48 128.229 10.321 3.052 381 2HB SER 48 HB1 SER 48 129.687 9.359 3.274 382 HG SER 48 HG SER 48 128.363 8.638 4.832 383 H PHE 49 HN PHE 49 132.183 10.640 3.331 384 HA PHE 49 HA PHE 49 133.093 9.545 5.826 385 1HB PHE 49 HB2 PHE 49 134.688 10.553 3.451 386 2HB PHE 49 HB1 PHE 49 135.333 9.563 4.761 387 HD1 PHE 49 HD1 PHE 49 133.790 7.398 5.289 388 HD2 PHE 49 HD2 PHE 49 134.048 9.438 1.518 389 HE1 PHE 49 HE1 PHE 49 133.001 5.353 4.129 390 HE2 PHE 49 HE2 PHE 49 133.258 7.394 0.358 391 HZ PHE 49 HZ PHE 49 132.734 5.351 1.663 392 HA PRO 50 HA PRO 50 134.422 13.250 7.921 393 1HB PRO 50 HB2 PRO 50 136.301 12.065 9.599 394 2HB PRO 50 HB1 PRO 50 134.560 12.137 9.901 395 1HG PRO 50 HG2 PRO 50 136.181 9.839 9.282 396 2HG PRO 50 HG1 PRO 50 134.466 9.901 9.711 397 1HD PRO 50 HD2 PRO 50 135.675 9.545 7.090 398 2HD PRO 50 HD1 PRO 50 133.979 9.374 7.569 399 H LYS 51 HN LYS 51 137.237 11.081 7.426 400 HA LYS 51 HA LYS 51 138.819 13.467 6.586 401 1HB LYS 51 HB2 LYS 51 139.581 11.881 8.489 402 2HB LYS 51 HB1 LYS 51 139.950 10.736 7.197 403 1HG LYS 51 HG2 LYS 51 141.199 12.788 6.124 404 2HG LYS 51 HG1 LYS 51 141.208 13.399 7.780 405 1HD LYS 51 HD2 LYS 51 142.443 11.530 8.576 406 2HD LYS 51 HD1 LYS 51 142.138 10.604 7.104 407 1HE LYS 51 HE2 LYS 51 143.519 13.222 6.778 408 2HE LYS 51 HE1 LYS 51 144.448 11.921 7.522 409 1HZ LYS 51 HZ3 LYS 51 143.796 10.500 5.629 410 2HZ LYS 51 HZ2 LYS 51 143.072 11.850 4.894 411 3HZ LYS 51 HZ1 LYS 51 144.748 11.826 5.170 412 H ARG 52 HN ARG 52 138.190 13.587 4.396 413 HA ARG 52 HA ARG 52 138.382 11.181 2.709 414 1HB ARG 52 HB2 ARG 52 137.840 14.050 1.889 415 2HB ARG 52 HB1 ARG 52 137.546 12.604 0.924 416 1HG ARG 52 HG2 ARG 52 135.853 11.838 2.477 417 2HG ARG 52 HG1 ARG 52 136.224 13.151 3.595 418 1HD ARG 52 HD2 ARG 52 135.269 13.603 0.757 419 2HD ARG 52 HD1 ARG 52 134.185 13.546 2.145 420 HE ARG 52 HE ARG 52 135.983 15.738 1.458 421 1HH1 ARG 52 HH11 ARG 52 134.270 14.123 4.046 422 2HH1 ARG 52 HH12 ARG 52 134.252 15.532 5.047 423 1HH2 ARG 52 HH21 ARG 52 135.937 17.535 2.788 424 2HH2 ARG 52 HH22 ARG 52 135.186 17.444 4.346 425 HA PRO 53 HA PRO 53 138.916 10.331 0.948 426 1HB PRO 53 HB2 PRO 53 140.970 8.777 -0.102 427 2HB PRO 53 HB1 PRO 53 140.026 9.966 -1.011 428 1HG PRO 53 HG2 PRO 53 142.802 10.078 -0.295 429 2HG PRO 53 HG1 PRO 53 141.863 11.240 -1.243 430 1HD PRO 53 HD2 PRO 53 142.683 11.384 1.571 431 2HD PRO 53 HD1 PRO 53 142.097 12.672 0.504 432 H LEU 54 HN LEU 54 139.481 7.739 1.169 433 HA LEU 54 HA LEU 54 140.291 7.418 4.014 434 1HB LEU 54 HB2 LEU 54 138.664 5.697 2.130 435 2HB LEU 54 HB1 LEU 54 139.199 5.133 3.713 436 HG LEU 54 HG LEU 54 137.572 7.650 3.261 437 1HD1 LEU 54 HD12 LEU 54 136.814 4.804 3.839 438 2HD1 LEU 54 HD11 LEU 54 135.850 6.109 4.531 439 3HD1 LEU 54 HD13 LEU 54 136.026 5.974 2.781 440 1HD2 LEU 54 HD21 LEU 54 138.591 6.171 5.690 441 2HD2 LEU 54 HD23 LEU 54 138.772 7.880 5.293 442 3HD2 LEU 54 HD22 LEU 54 137.201 7.252 5.791 443 HA PRO 55 HA PRO 55 144.044 5.577 2.235 444 1HB PRO 55 HB2 PRO 55 145.300 5.399 4.748 445 2HB PRO 55 HB1 PRO 55 145.471 6.714 3.578 446 1HG PRO 55 HG2 PRO 55 144.197 6.789 6.131 447 2HG PRO 55 HG1 PRO 55 144.358 8.097 4.950 448 1HD PRO 55 HD2 PRO 55 142.024 6.452 5.566 449 2HD PRO 55 HD1 PRO 55 142.119 7.959 4.640 450 H GLU 56 HN GLU 56 145.488 3.626 3.173 451 HA GLU 56 HA GLU 56 145.558 1.337 3.669 452 1HB GLU 56 HB2 GLU 56 144.502 2.462 5.862 453 2HB GLU 56 HB1 GLU 56 143.105 1.509 5.359 454 1HG GLU 56 HG2 GLU 56 144.173 -0.503 5.710 455 2HG GLU 56 HG1 GLU 56 145.767 0.159 5.343 456 H ARG 57 HN ARG 57 143.914 2.345 1.426 457 HA ARG 57 HA ARG 57 142.677 -0.100 0.637 458 1HB ARG 57 HB2 ARG 57 140.289 0.647 0.658 459 2HB ARG 57 HB1 ARG 57 140.955 0.433 2.277 460 1HG ARG 57 HG2 ARG 57 141.554 2.974 2.088 461 2HG ARG 57 HG1 ARG 57 140.334 2.985 0.814 462 1HD ARG 57 HD2 ARG 57 139.013 3.447 2.669 463 2HD ARG 57 HD1 ARG 57 138.897 1.688 2.616 464 HE ARG 57 HE ARG 57 141.144 2.545 4.225 465 1HH1 ARG 57 HH21 ARG 57 137.671 2.128 4.233 466 2HH1 ARG 57 HH22 ARG 57 137.600 1.920 5.948 467 1HH2 ARG 57 HH11 ARG 57 141.004 2.271 6.439 468 2HH2 ARG 57 HH12 ARG 57 139.465 1.999 7.185 469 H THR 58 HN THR 58 141.416 0.214 -1.451 470 HA THR 58 HA THR 58 142.694 2.395 -3.005 471 HB THR 58 HB THR 58 141.022 0.085 -4.033 472 HG1 THR 58 HG1 THR 58 142.698 -0.919 -3.140 473 1HG2 THR 58 HG21 THR 58 141.573 2.207 -5.435 474 2HG2 THR 58 HG23 THR 58 143.213 1.561 -5.476 475 3HG2 THR 58 HG22 THR 58 141.881 0.625 -6.151 476 H ASN 59 HN ASN 59 141.499 4.250 -2.864 477 HA ASN 59 HA ASN 59 138.596 4.235 -2.628 478 1HB ASN 59 HB2 ASN 59 140.367 6.586 -3.346 479 2HB ASN 59 HB1 ASN 59 138.766 6.635 -2.612 480 1HD2 ASN 59 HD22 ASN 59 140.274 5.086 0.477 481 2HD2 ASN 59 HD21 ASN 59 139.140 4.543 -0.664 482 H VAL 60 HN VAL 60 137.096 4.545 -4.248 483 HA VAL 60 HA VAL 60 138.099 5.125 -6.998 484 HB VAL 60 HB VAL 60 136.067 2.972 -6.335 485 1HG1 VAL 60 HG12 VAL 60 137.434 3.838 -8.899 486 2HG1 VAL 60 HG11 VAL 60 136.469 2.370 -8.741 487 3HG1 VAL 60 HG13 VAL 60 135.713 3.950 -8.529 488 1HG2 VAL 60 HG23 VAL 60 139.035 2.887 -6.863 489 2HG2 VAL 60 HG22 VAL 60 138.114 2.060 -5.605 490 3HG2 VAL 60 HG21 VAL 60 138.010 1.513 -7.279 491 H VAL 61 HN VAL 61 137.218 7.257 -6.693 492 HA VAL 61 HA VAL 61 134.396 7.602 -6.020 493 HB VAL 61 HB VAL 61 136.329 9.609 -7.218 494 1HG1 VAL 61 HG12 VAL 61 133.779 10.027 -7.204 495 2HG1 VAL 61 HG11 VAL 61 133.938 10.137 -5.451 496 3HG1 VAL 61 HG13 VAL 61 134.806 11.269 -6.487 497 1HG2 VAL 61 HG23 VAL 61 135.723 8.884 -4.334 498 2HG2 VAL 61 HG22 VAL 61 137.275 8.731 -5.158 499 3HG2 VAL 61 HG21 VAL 61 136.608 10.329 -4.823 500 H LEU 62 HN LEU 62 132.712 7.682 -7.441 501 HA LEU 62 HA LEU 62 133.367 7.762 -10.362 502 1HB LEU 62 HB2 LEU 62 132.575 5.521 -9.568 503 2HB LEU 62 HB1 LEU 62 131.070 6.279 -9.049 504 HG LEU 62 HG LEU 62 131.003 7.186 -11.515 505 1HD1 LEU 62 HD11 LEU 62 133.034 4.972 -11.585 506 2HD1 LEU 62 HD13 LEU 62 131.974 5.228 -12.971 507 3HD1 LEU 62 HD12 LEU 62 133.047 6.520 -12.432 508 1HD2 LEU 62 HD23 LEU 62 130.446 4.316 -10.711 509 2HD2 LEU 62 HD22 LEU 62 129.323 5.675 -10.649 510 3HD2 LEU 62 HD21 LEU 62 129.858 5.043 -12.207 511 H THR 63 HN THR 63 132.689 9.694 -11.142 512 HA THR 63 HA THR 63 129.995 10.677 -10.310 513 HB THR 63 HB THR 63 131.610 12.017 -9.073 514 HG1 THR 63 HG1 THR 63 130.101 13.381 -9.699 515 1HG2 THR 63 HG22 THR 63 132.940 12.224 -11.770 516 2HG2 THR 63 HG21 THR 63 133.247 13.412 -10.503 517 3HG2 THR 63 HG23 THR 63 133.644 11.715 -10.236 518 H HIS 64 HN HIS 64 129.330 12.522 -11.913 519 HA HIS 64 HA HIS 64 129.989 11.564 -14.662 520 1HB HIS 64 HB2 HIS 64 127.848 12.711 -15.299 521 2HB HIS 64 HB1 HIS 64 127.623 11.405 -14.135 522 HD1 HIS 64 HD1 HIS 64 127.763 15.184 -14.332 523 HD2 HIS 64 HD2 HIS 64 126.614 12.213 -11.643 524 HE1 HIS 64 HE1 HIS 64 126.589 16.362 -12.422 525 H GLN 65 HN GLN 65 131.634 13.461 -13.086 526 HA GLN 65 HA GLN 65 131.577 15.714 -15.036 527 1HB GLN 65 HB2 GLN 65 130.567 16.181 -12.630 528 2HB GLN 65 HB1 GLN 65 132.269 16.284 -12.175 529 1HG GLN 65 HG2 GLN 65 132.673 18.104 -13.614 530 2HG GLN 65 HG1 GLN 65 131.225 17.785 -14.571 531 1HE2 GLN 65 HE21 GLN 65 129.128 18.411 -13.633 532 2HE2 GLN 65 HE22 GLN 65 129.046 19.516 -12.347 533 H GLU 66 HN GLU 66 133.599 16.196 -15.803 534 HA GLU 66 HA GLU 66 135.880 14.678 -14.651 535 1HB GLU 66 HB2 GLU 66 137.040 15.356 -16.773 536 2HB GLU 66 HB1 GLU 66 135.582 14.401 -17.042 537 1HG GLU 66 HG2 GLU 66 134.432 16.161 -17.954 538 2HG GLU 66 HG1 GLU 66 135.217 17.348 -16.912 539 H ASP 67 HN ASP 67 134.729 17.189 -13.464 540 HA ASP 67 HA ASP 67 137.124 18.959 -13.720 541 1HB ASP 67 HB2 ASP 67 134.717 19.824 -14.226 542 2HB ASP 67 HB1 ASP 67 134.512 19.799 -12.474 543 H TYR 68 HN TYR 68 135.052 17.190 -11.501 544 HA TYR 68 HA TYR 68 136.067 18.239 -9.044 545 1HB TYR 68 HB2 TYR 68 134.023 16.761 -9.345 546 2HB TYR 68 HB1 TYR 68 135.129 15.398 -9.511 547 HD1 TYR 68 HD2 TYR 68 134.179 18.195 -7.225 548 HD2 TYR 68 HD1 TYR 68 136.056 14.351 -7.609 549 HE1 TYR 68 HE2 TYR 68 134.356 18.036 -4.757 550 HE2 TYR 68 HE1 TYR 68 136.233 14.191 -5.140 551 HH TYR 68 HH TYR 68 136.072 16.640 -3.124 552 H GLN 69 HN GLN 69 137.867 17.676 -7.829 553 HA GLN 69 HA GLN 69 139.672 15.583 -8.969 554 1HB GLN 69 HB2 GLN 69 140.281 18.414 -8.156 555 2HB GLN 69 HB1 GLN 69 141.531 17.176 -8.020 556 1HG GLN 69 HG2 GLN 69 141.061 16.574 -10.435 557 2HG GLN 69 HG1 GLN 69 140.040 18.010 -10.520 558 1HE2 GLN 69 HE22 GLN 69 142.764 20.228 -10.820 559 2HE2 GLN 69 HE21 GLN 69 141.078 20.028 -10.804 560 H ALA 70 HN ALA 70 141.220 14.729 -7.326 561 HA ALA 70 HA ALA 70 140.753 15.257 -4.505 562 1HB ALA 70 HB3 ALA 70 139.535 12.838 -5.828 563 2HB ALA 70 HB2 ALA 70 140.029 12.783 -4.136 564 3HB ALA 70 HB1 ALA 70 138.806 13.940 -4.661 565 H GLN 71 HN GLN 71 142.717 14.925 -3.600 566 HA GLN 71 HA GLN 71 144.703 13.254 -5.013 567 1HB GLN 71 HB2 GLN 71 144.958 14.984 -2.532 568 2HB GLN 71 HB1 GLN 71 146.295 14.188 -3.364 569 1HG GLN 71 HG2 GLN 71 145.637 15.445 -5.450 570 2HG GLN 71 HG1 GLN 71 144.485 16.351 -4.470 571 1HE2 GLN 71 HE22 GLN 71 147.048 18.651 -3.723 572 2HE2 GLN 71 HE21 GLN 71 145.473 18.400 -4.303 573 H GLY 72 HN GLY 72 145.186 11.206 -4.386 574 1HA GLY 72 HA2 GLY 72 145.711 9.610 -2.579 575 2HA GLY 72 HA1 GLY 72 144.434 10.357 -1.621 576 H ALA 73 HN ALA 73 142.639 10.487 -4.025 577 HA ALA 73 HA ALA 73 141.909 7.585 -4.111 578 1HB ALA 73 HB3 ALA 73 140.334 9.147 -2.871 579 2HB ALA 73 HB2 ALA 73 140.018 9.931 -4.420 580 3HB ALA 73 HB1 ALA 73 139.595 8.235 -4.188 581 H VAL 74 HN VAL 74 140.690 6.970 -6.122 582 HA VAL 74 HA VAL 74 141.990 8.210 -8.479 583 HB VAL 74 HB VAL 74 140.237 5.739 -8.328 584 1HG1 VAL 74 HG13 VAL 74 142.072 6.910 -10.430 585 2HG1 VAL 74 HG12 VAL 74 141.541 5.228 -10.466 586 3HG1 VAL 74 HG11 VAL 74 140.356 6.530 -10.582 587 1HG2 VAL 74 HG21 VAL 74 143.203 6.161 -7.978 588 2HG2 VAL 74 HG23 VAL 74 142.101 5.216 -6.976 589 3HG2 VAL 74 HG22 VAL 74 142.571 4.624 -8.569 590 H VAL 75 HN VAL 75 140.795 9.106 -10.200 591 HA VAL 75 HA VAL 75 137.914 9.644 -9.589 592 HB VAL 75 HB VAL 75 139.810 11.348 -11.233 593 1HG1 VAL 75 HG11 VAL 75 137.012 11.808 -10.153 594 2HG1 VAL 75 HG13 VAL 75 137.995 13.038 -10.947 595 3HG1 VAL 75 HG12 VAL 75 137.460 11.620 -11.848 596 1HG2 VAL 75 HG21 VAL 75 139.030 11.387 -8.323 597 2HG2 VAL 75 HG23 VAL 75 140.626 11.590 -9.043 598 3HG2 VAL 75 HG22 VAL 75 139.440 12.890 -9.150 599 H VAL 76 HN VAL 76 136.717 8.318 -10.874 600 HA VAL 76 HA VAL 76 137.603 7.943 -13.708 601 HB VAL 76 HB VAL 76 136.212 5.857 -13.639 602 1HG1 VAL 76 HG13 VAL 76 138.473 6.206 -11.657 603 2HG1 VAL 76 HG12 VAL 76 137.785 4.630 -12.050 604 3HG1 VAL 76 HG11 VAL 76 138.568 5.588 -13.306 605 1HG2 VAL 76 HG21 VAL 76 134.959 6.911 -11.530 606 2HG2 VAL 76 HG23 VAL 76 135.108 5.165 -11.724 607 3HG2 VAL 76 HG22 VAL 76 136.208 6.030 -10.651 608 H HIS 77 HN HIS 77 135.798 7.766 -15.289 609 HA HIS 77 HA HIS 77 133.287 9.109 -14.414 610 1HB HIS 77 HB2 HIS 77 134.850 9.889 -16.894 611 2HB HIS 77 HB1 HIS 77 133.357 10.628 -16.314 612 HD1 HIS 77 HD1 HIS 77 133.840 11.149 -13.428 613 HD2 HIS 77 HD2 HIS 77 136.862 11.663 -16.253 614 HE1 HIS 77 HE1 HIS 77 135.529 12.728 -12.392 615 H ASP 78 HN ASP 78 133.875 6.322 -15.062 616 HA ASP 78 HA ASP 78 131.739 5.878 -16.991 617 1HB ASP 78 HB2 ASP 78 133.837 6.333 -18.393 618 2HB ASP 78 HB1 ASP 78 134.462 4.811 -17.756 619 H VAL 79 HN VAL 79 130.737 4.000 -16.438 620 HA VAL 79 HA VAL 79 131.597 2.440 -14.205 621 HB VAL 79 HB VAL 79 129.665 1.608 -16.391 622 1HG1 VAL 79 HG12 VAL 79 129.946 0.813 -13.475 623 2HG1 VAL 79 HG11 VAL 79 128.654 0.281 -14.551 624 3HG1 VAL 79 HG13 VAL 79 130.320 -0.204 -14.867 625 1HG2 VAL 79 HG22 VAL 79 129.415 3.470 -14.043 626 2HG2 VAL 79 HG21 VAL 79 128.769 3.645 -15.674 627 3HG2 VAL 79 HG23 VAL 79 128.020 2.516 -14.545 628 H ALA 80 HN ALA 80 131.904 1.942 -17.706 629 HA ALA 80 HA ALA 80 132.973 -0.711 -17.595 630 1HB ALA 80 HB3 ALA 80 132.155 0.678 -19.645 631 2HB ALA 80 HB2 ALA 80 133.803 1.306 -19.676 632 3HB ALA 80 HB1 ALA 80 133.514 -0.423 -19.869 633 H ALA 81 HN ALA 81 134.446 2.478 -17.263 634 HA ALA 81 HA ALA 81 137.185 1.646 -17.424 635 1HB ALA 81 HB3 ALA 81 135.820 3.990 -16.083 636 2HB ALA 81 HB2 ALA 81 137.569 3.769 -16.035 637 3HB ALA 81 HB1 ALA 81 136.750 3.988 -17.581 638 H VAL 82 HN VAL 82 134.933 1.979 -14.683 639 HA VAL 82 HA VAL 82 136.791 1.292 -12.622 640 HB VAL 82 HB VAL 82 133.816 0.700 -12.677 641 1HG1 VAL 82 HG11 VAL 82 135.929 0.881 -10.541 642 2HG1 VAL 82 HG13 VAL 82 134.246 1.242 -10.153 643 3HG1 VAL 82 HG12 VAL 82 134.686 -0.351 -10.769 644 1HG2 VAL 82 HG21 VAL 82 135.381 3.222 -12.108 645 2HG2 VAL 82 HG23 VAL 82 133.992 3.014 -13.176 646 3HG2 VAL 82 HG22 VAL 82 133.775 2.962 -11.427 647 H PHE 83 HN PHE 83 134.909 -0.662 -14.863 648 HA PHE 83 HA PHE 83 135.416 -3.185 -13.507 649 1HB PHE 83 HB2 PHE 83 134.130 -2.290 -16.020 650 2HB PHE 83 HB1 PHE 83 134.869 -3.888 -16.097 651 HD1 PHE 83 HD1 PHE 83 132.863 -1.880 -13.631 652 HD2 PHE 83 HD2 PHE 83 133.479 -5.668 -15.559 653 HE1 PHE 83 HE1 PHE 83 130.943 -2.829 -12.379 654 HE2 PHE 83 HE2 PHE 83 131.559 -6.617 -14.308 655 HZ PHE 83 HZ PHE 83 130.292 -5.198 -12.718 656 H ALA 84 HN ALA 84 136.999 -1.297 -16.027 657 HA ALA 84 HA ALA 84 138.809 -3.310 -16.955 658 1HB ALA 84 HB1 ALA 84 138.380 -1.088 -18.067 659 2HB ALA 84 HB3 ALA 84 139.333 -0.328 -16.793 660 3HB ALA 84 HB2 ALA 84 140.090 -1.481 -17.892 661 H TYR 85 HN TYR 85 139.002 -0.967 -14.292 662 HA TYR 85 HA TYR 85 141.716 -1.499 -13.552 663 1HB TYR 85 HB2 TYR 85 140.290 0.428 -12.737 664 2HB TYR 85 HB1 TYR 85 139.465 -0.719 -11.681 665 HD1 TYR 85 HD1 TYR 85 142.871 0.554 -12.563 666 HD2 TYR 85 HD2 TYR 85 140.372 -1.267 -9.582 667 HE1 TYR 85 HE1 TYR 85 144.699 0.766 -10.902 668 HE2 TYR 85 HE2 TYR 85 142.201 -1.054 -7.920 669 HH TYR 85 HH TYR 85 144.675 0.916 -8.152 670 H ALA 86 HN ALA 86 138.683 -3.130 -12.827 671 HA ALA 86 HA ALA 86 139.823 -4.854 -10.771 672 1HB ALA 86 HB2 ALA 86 137.258 -5.097 -12.375 673 2HB ALA 86 HB1 ALA 86 137.676 -6.085 -10.975 674 3HB ALA 86 HB3 ALA 86 137.419 -4.350 -10.784 675 H LYS 87 HN LYS 87 139.430 -4.979 -14.257 676 HA LYS 87 HA LYS 87 139.782 -7.780 -14.655 677 1HB LYS 87 HB2 LYS 87 139.197 -5.862 -16.350 678 2HB LYS 87 HB1 LYS 87 140.946 -5.758 -16.550 679 1HG LYS 87 HG2 LYS 87 141.108 -7.974 -17.351 680 2HG LYS 87 HG1 LYS 87 139.514 -8.407 -16.730 681 1HD LYS 87 HD2 LYS 87 138.404 -7.108 -18.399 682 2HD LYS 87 HD1 LYS 87 139.904 -6.310 -18.875 683 1HE LYS 87 HE2 LYS 87 139.646 -7.930 -20.550 684 2HE LYS 87 HE1 LYS 87 140.730 -8.730 -19.412 685 1HZ LYS 87 HZ3 LYS 87 137.783 -9.026 -19.310 686 2HZ LYS 87 HZ2 LYS 87 138.786 -10.079 -20.190 687 3HZ LYS 87 HZ1 LYS 87 138.950 -9.956 -18.503 688 H GLN 88 HN GLN 88 142.113 -5.163 -14.168 689 HA GLN 88 HA GLN 88 144.356 -7.101 -14.413 690 1HB GLN 88 HB2 GLN 88 144.354 -4.082 -14.100 691 2HB GLN 88 HB1 GLN 88 145.795 -5.080 -14.305 692 1HG GLN 88 HG2 GLN 88 145.162 -5.725 -16.507 693 2HG GLN 88 HG1 GLN 88 143.516 -5.129 -16.289 694 1HE2 GLN 88 HE22 GLN 88 144.434 -2.054 -17.726 695 2HE2 GLN 88 HE21 GLN 88 143.306 -3.320 -17.626 696 H HIS 89 HN HIS 89 142.442 -7.084 -12.131 697 HA HIS 89 HA HIS 89 144.472 -6.868 -9.974 698 1HB HIS 89 HB2 HIS 89 141.822 -5.437 -10.077 699 2HB HIS 89 HB1 HIS 89 142.538 -5.886 -8.529 700 HD1 HIS 89 HD1 HIS 89 144.137 -4.223 -7.590 701 HD2 HIS 89 HD2 HIS 89 143.821 -3.867 -11.732 702 HE1 HIS 89 HE1 HIS 89 145.572 -2.244 -8.251 703 HA PRO 90 HA PRO 90 142.040 -10.789 -9.662 704 1HB PRO 90 HB2 PRO 90 144.346 -12.346 -9.356 705 2HB PRO 90 HB1 PRO 90 143.449 -12.104 -10.862 706 1HG PRO 90 HG2 PRO 90 146.072 -11.168 -10.195 707 2HG PRO 90 HG1 PRO 90 145.181 -10.951 -11.707 708 1HD PRO 90 HD2 PRO 90 145.616 -9.041 -9.535 709 2HD PRO 90 HD1 PRO 90 145.035 -8.751 -11.183 710 H ASP 91 HN ASP 91 144.586 -9.353 -7.732 711 HA ASP 91 HA ASP 91 143.910 -11.068 -5.405 712 1HB ASP 91 HB2 ASP 91 146.315 -10.228 -6.206 713 2HB ASP 91 HB1 ASP 91 145.883 -8.834 -5.214 714 H GLN 92 HN GLN 92 142.076 -8.946 -6.543 715 HA GLN 92 HA GLN 92 141.632 -7.515 -3.973 716 1HB GLN 92 HB2 GLN 92 141.779 -6.256 -6.723 717 2HB GLN 92 HB1 GLN 92 141.023 -5.460 -5.343 718 1HG GLN 92 HG2 GLN 92 143.856 -6.519 -5.263 719 2HG GLN 92 HG1 GLN 92 143.469 -4.867 -5.745 720 1HE2 GLN 92 HE22 GLN 92 143.585 -5.781 -1.834 721 2HE2 GLN 92 HE21 GLN 92 144.131 -6.841 -3.043 722 H GLU 93 HN GLU 93 139.390 -6.788 -3.733 723 HA GLU 93 HA GLU 93 137.502 -8.281 -5.512 724 1HB GLU 93 HB2 GLU 93 137.400 -7.797 -2.523 725 2HB GLU 93 HB1 GLU 93 136.019 -8.380 -3.453 726 1HG GLU 93 HG2 GLU 93 138.710 -9.754 -3.543 727 2HG GLU 93 HG1 GLU 93 137.478 -10.176 -2.354 728 H LEU 94 HN LEU 94 135.530 -7.213 -6.016 729 HA LEU 94 HA LEU 94 135.685 -4.264 -5.815 730 1HB LEU 94 HB2 LEU 94 135.144 -5.553 -7.975 731 2HB LEU 94 HB1 LEU 94 133.563 -5.860 -7.256 732 HG LEU 94 HG LEU 94 133.541 -3.277 -6.832 733 1HD1 LEU 94 HD12 LEU 94 135.899 -2.930 -7.494 734 2HD1 LEU 94 HD11 LEU 94 135.528 -3.518 -9.114 735 3HD1 LEU 94 HD13 LEU 94 134.805 -2.018 -8.533 736 1HD2 LEU 94 HD23 LEU 94 133.118 -4.728 -9.440 737 2HD2 LEU 94 HD22 LEU 94 131.912 -4.124 -8.302 738 3HD2 LEU 94 HD21 LEU 94 132.803 -2.996 -9.325 739 H VAL 95 HN VAL 95 134.650 -3.263 -4.173 740 HA VAL 95 HA VAL 95 132.189 -4.553 -3.057 741 HB VAL 95 HB VAL 95 134.171 -2.807 -1.563 742 1HG1 VAL 95 HG12 VAL 95 131.775 -2.844 -0.776 743 2HG1 VAL 95 HG11 VAL 95 131.941 -4.584 -0.536 744 3HG1 VAL 95 HG13 VAL 95 132.928 -3.465 0.405 745 1HG2 VAL 95 HG21 VAL 95 135.084 -5.047 -2.278 746 2HG2 VAL 95 HG23 VAL 95 134.983 -4.843 -0.530 747 3HG2 VAL 95 HG22 VAL 95 133.773 -5.808 -1.377 748 H ILE 96 HN ILE 96 130.385 -3.312 -3.219 749 HA ILE 96 HA ILE 96 130.717 -0.456 -4.005 750 HB ILE 96 HB ILE 96 128.198 -2.140 -4.090 751 1HG1 ILE 96 HG12 ILE 96 129.938 -3.157 -5.517 752 2HG1 ILE 96 HG11 ILE 96 128.674 -2.426 -6.502 753 1HG2 ILE 96 HG23 ILE 96 128.078 0.411 -4.114 754 2HG2 ILE 96 HG22 ILE 96 128.908 0.341 -5.668 755 3HG2 ILE 96 HG21 ILE 96 127.323 -0.408 -5.480 756 1HD1 ILE 96 HD11 ILE 96 130.559 -0.373 -6.064 757 2HD1 ILE 96 HD13 ILE 96 131.507 -1.815 -6.425 758 3HD1 ILE 96 HD12 ILE 96 130.283 -1.256 -7.565 759 H ALA 97 HN ALA 97 130.390 1.049 -2.453 760 HA ALA 97 HA ALA 97 128.865 0.264 -0.012 761 1HB ALA 97 HB1 ALA 97 130.834 2.527 -0.464 762 2HB ALA 97 HB3 ALA 97 130.016 2.184 1.060 763 3HB ALA 97 HB2 ALA 97 131.165 1.022 0.394 764 H GLY 98 HN GLY 98 128.935 2.524 -2.690 765 1HA GLY 98 HA2 GLY 98 126.311 3.219 -2.834 766 2HA GLY 98 HA1 GLY 98 126.864 4.249 -1.513 767 H GLY 99 HN GLY 99 127.405 6.453 -4.364 768 1HA GLY 99 HA2 GLY 99 125.728 5.794 -2.049 769 2HA GLY 99 HA1 GLY 99 125.501 7.157 -3.144 770 H ALA 100 HN ALA 100 123.260 6.723 -3.417 771 HA ALA 100 HA ALA 100 122.244 4.145 -4.222 772 1HB ALA 100 HB3 ALA 100 120.879 5.997 -3.181 773 2HB ALA 100 HB2 ALA 100 120.983 6.857 -4.717 774 3HB ALA 100 HB1 ALA 100 120.160 5.299 -4.631 775 H GLN 101 HN GLN 101 123.210 7.069 -6.000 776 HA GLN 101 HA GLN 101 122.388 6.191 -8.593 777 1HB GLN 101 HB2 GLN 101 124.280 8.234 -7.521 778 2HB GLN 101 HB1 GLN 101 124.467 7.770 -9.213 779 1HG GLN 101 HG2 GLN 101 122.029 8.214 -9.556 780 2HG GLN 101 HG1 GLN 101 121.942 8.808 -7.897 781 1HE2 GLN 101 HE22 GLN 101 124.326 11.005 -10.437 782 2HE2 GLN 101 HE21 GLN 101 124.379 9.311 -10.519 783 H ILE 102 HN ILE 102 125.223 5.480 -6.646 784 HA ILE 102 HA ILE 102 126.761 4.308 -8.818 785 HB ILE 102 HB ILE 102 127.038 3.847 -5.834 786 1HG1 ILE 102 HG12 ILE 102 127.104 6.256 -6.374 787 2HG1 ILE 102 HG11 ILE 102 128.699 5.676 -5.903 788 1HG2 ILE 102 HG22 ILE 102 128.734 3.274 -8.244 789 2HG2 ILE 102 HG21 ILE 102 129.511 3.611 -6.697 790 3HG2 ILE 102 HG23 ILE 102 128.398 2.251 -6.847 791 1HD1 ILE 102 HD11 ILE 102 128.664 5.270 -8.653 792 2HD1 ILE 102 HD13 ILE 102 127.809 6.800 -8.457 793 3HD1 ILE 102 HD12 ILE 102 129.445 6.616 -7.824 794 H PHE 103 HN PHE 103 124.573 3.073 -6.311 795 HA PHE 103 HA PHE 103 125.007 0.287 -6.811 796 1HB PHE 103 HB2 PHE 103 122.646 1.812 -5.688 797 2HB PHE 103 HB1 PHE 103 122.673 0.053 -5.800 798 HD1 PHE 103 HD2 PHE 103 125.382 -0.702 -5.111 799 HD2 PHE 103 HD1 PHE 103 122.946 2.426 -3.458 800 HE1 PHE 103 HE2 PHE 103 126.670 -0.817 -2.996 801 HE2 PHE 103 HE1 PHE 103 124.235 2.310 -1.343 802 HZ PHE 103 HZ PHE 103 126.096 0.688 -1.112 803 H THR 104 HN THR 104 122.842 2.671 -8.285 804 HA THR 104 HA THR 104 121.258 0.860 -9.822 805 HB THR 104 HB THR 104 122.062 3.638 -10.709 806 HG1 THR 104 HG1 THR 104 120.788 4.443 -9.216 807 1HG2 THR 104 HG21 THR 104 119.800 1.740 -11.239 808 2HG2 THR 104 HG23 THR 104 119.520 3.477 -11.360 809 3HG2 THR 104 HG22 THR 104 120.733 2.707 -12.381 810 H ALA 105 HN ALA 105 124.434 2.289 -10.391 811 HA ALA 105 HA ALA 105 124.643 1.450 -13.152 812 1HB ALA 105 HB1 ALA 105 126.598 2.387 -11.062 813 2HB ALA 105 HB3 ALA 105 127.180 1.744 -12.598 814 3HB ALA 105 HB2 ALA 105 126.138 3.166 -12.576 815 H PHE 106 HN PHE 106 125.778 0.077 -10.063 816 HA PHE 106 HA PHE 106 126.639 -2.381 -11.493 817 1HB PHE 106 HB2 PHE 106 126.939 -1.646 -8.564 818 2HB PHE 106 HB1 PHE 106 127.715 -2.997 -9.389 819 HD1 PHE 106 HD2 PHE 106 129.077 -2.322 -11.576 820 HD2 PHE 106 HD1 PHE 106 128.130 0.349 -8.348 821 HE1 PHE 106 HE2 PHE 106 130.942 -0.835 -12.258 822 HE2 PHE 106 HE1 PHE 106 129.994 1.835 -9.030 823 HZ PHE 106 HZ PHE 106 131.401 1.243 -10.985 824 H LYS 107 HN LYS 107 123.957 -2.184 -11.659 825 HA LYS 107 HA LYS 107 122.766 -3.688 -9.392 826 1HB LYS 107 HB2 LYS 107 121.602 -1.684 -10.412 827 2HB LYS 107 HB1 LYS 107 121.387 -2.641 -11.878 828 1HG LYS 107 HG2 LYS 107 119.388 -3.069 -10.756 829 2HG LYS 107 HG1 LYS 107 120.383 -4.423 -10.220 830 1HD LYS 107 HD2 LYS 107 120.894 -3.329 -8.139 831 2HD LYS 107 HD1 LYS 107 120.170 -1.818 -8.692 832 1HE LYS 107 HE2 LYS 107 118.600 -2.955 -7.212 833 2HE LYS 107 HE1 LYS 107 117.965 -2.980 -8.856 834 1HZ LYS 107 HZ2 LYS 107 119.580 -5.198 -7.746 835 2HZ LYS 107 HZ1 LYS 107 117.888 -5.142 -7.592 836 3HZ LYS 107 HZ3 LYS 107 118.597 -5.208 -9.132 837 H ASP 108 HN ASP 108 123.704 -4.066 -12.754 838 HA ASP 108 HA ASP 108 122.482 -6.774 -12.843 839 1HB ASP 108 HB2 ASP 108 123.643 -4.918 -14.915 840 2HB ASP 108 HB1 ASP 108 123.430 -6.635 -15.266 841 H ASP 109 HN ASP 109 124.826 -6.156 -11.149 842 HA ASP 109 HA ASP 109 126.523 -8.370 -12.038 843 1HB ASP 109 HB2 ASP 109 127.460 -5.509 -12.091 844 2HB ASP 109 HB1 ASP 109 128.601 -6.810 -11.750 845 H VAL 110 HN VAL 110 125.479 -9.014 -9.946 846 HA VAL 110 HA VAL 110 127.314 -8.634 -7.741 847 HB VAL 110 HB VAL 110 126.066 -6.508 -7.570 848 1HG1 VAL 110 HG13 VAL 110 123.648 -8.325 -7.340 849 2HG1 VAL 110 HG12 VAL 110 123.635 -6.593 -7.009 850 3HG1 VAL 110 HG11 VAL 110 123.978 -7.176 -8.637 851 1HG2 VAL 110 HG22 VAL 110 125.519 -8.596 -5.445 852 2HG2 VAL 110 HG21 VAL 110 126.806 -7.390 -5.471 853 3HG2 VAL 110 HG23 VAL 110 125.134 -6.889 -5.222 854 H ASP 111 HN ASP 111 127.051 -10.279 -6.222 855 HA ASP 111 HA ASP 111 124.668 -12.054 -6.562 856 1HB ASP 111 HB2 ASP 111 126.214 -13.987 -6.126 857 2HB ASP 111 HB1 ASP 111 126.546 -13.152 -7.645 858 H THR 112 HN THR 112 127.343 -11.065 -4.423 859 HA THR 112 HA THR 112 125.872 -12.116 -2.074 860 HB THR 112 HB THR 112 128.519 -10.652 -2.055 861 HG1 THR 112 HG1 THR 112 128.037 -13.426 -2.394 862 1HG2 THR 112 HG22 THR 112 127.222 -12.701 -0.237 863 2HG2 THR 112 HG21 THR 112 128.854 -12.066 -0.030 864 3HG2 THR 112 HG23 THR 112 127.466 -10.989 0.118 865 H LEU 113 HN LEU 113 124.568 -10.795 -0.906 866 HA LEU 113 HA LEU 113 124.945 -7.840 -1.197 867 1HB LEU 113 HB2 LEU 113 122.375 -9.345 -0.621 868 2HB LEU 113 HB1 LEU 113 122.535 -7.605 -0.857 869 HG LEU 113 HG LEU 113 123.412 -9.586 -2.961 870 1HD1 LEU 113 HD12 LEU 113 120.973 -9.865 -2.373 871 2HD1 LEU 113 HD11 LEU 113 120.733 -8.175 -2.815 872 3HD1 LEU 113 HD13 LEU 113 121.260 -9.340 -4.031 873 1HD2 LEU 113 HD21 LEU 113 122.975 -6.623 -2.756 874 2HD2 LEU 113 HD23 LEU 113 124.303 -7.504 -3.510 875 3HD2 LEU 113 HD22 LEU 113 122.738 -7.412 -4.315 876 H LEU 114 HN LEU 114 126.041 -7.274 0.645 877 HA LEU 114 HA LEU 114 125.278 -8.503 3.233 878 1HB LEU 114 HB2 LEU 114 127.520 -6.627 2.432 879 2HB LEU 114 HB1 LEU 114 127.240 -7.160 4.089 880 HG LEU 114 HG LEU 114 127.498 -9.167 1.858 881 1HD1 LEU 114 HD11 LEU 114 129.676 -7.671 3.309 882 2HD1 LEU 114 HD13 LEU 114 129.944 -9.314 2.728 883 3HD1 LEU 114 HD12 LEU 114 129.543 -8.029 1.587 884 1HD2 LEU 114 HD21 LEU 114 127.991 -9.194 4.853 885 2HD2 LEU 114 HD23 LEU 114 126.663 -9.980 3.998 886 3HD2 LEU 114 HD22 LEU 114 128.315 -10.557 3.780 887 H VAL 115 HN VAL 115 123.771 -7.504 4.467 888 HA VAL 115 HA VAL 115 123.583 -4.529 4.345 889 HB VAL 115 HB VAL 115 121.778 -5.493 2.960 890 1HG1 VAL 115 HG11 VAL 115 121.656 -7.675 4.169 891 2HG1 VAL 115 HG13 VAL 115 120.870 -6.849 5.515 892 3HG1 VAL 115 HG12 VAL 115 120.074 -6.928 3.943 893 1HG2 VAL 115 HG23 VAL 115 120.825 -4.363 5.611 894 2HG2 VAL 115 HG22 VAL 115 121.321 -3.424 4.204 895 3HG2 VAL 115 HG21 VAL 115 119.868 -4.420 4.131 896 H THR 116 HN THR 116 123.026 -3.545 6.322 897 HA THR 116 HA THR 116 123.081 -5.375 8.687 898 HB THR 116 HB THR 116 123.742 -2.424 8.697 899 HG1 THR 116 HG1 THR 116 125.900 -3.090 8.523 900 1HG2 THR 116 HG22 THR 116 123.198 -3.699 10.832 901 2HG2 THR 116 HG21 THR 116 124.655 -4.646 10.532 902 3HG2 THR 116 HG23 THR 116 124.773 -2.907 10.800 903 H ARG 117 HN ARG 117 120.940 -5.696 9.191 904 HA ARG 117 HA ARG 117 118.969 -3.546 8.943 905 1HB ARG 117 HB2 ARG 117 118.723 -6.287 10.223 906 2HB ARG 117 HB1 ARG 117 117.386 -5.207 9.822 907 1HG ARG 117 HG2 ARG 117 119.332 -5.999 7.677 908 2HG ARG 117 HG1 ARG 117 118.054 -7.120 8.146 909 1HD ARG 117 HD2 ARG 117 116.508 -5.001 7.898 910 2HD ARG 117 HD1 ARG 117 117.822 -4.409 6.881 911 HE ARG 117 HE ARG 117 117.209 -7.054 6.050 912 1HH1 ARG 117 HH11 ARG 117 115.744 -3.879 6.117 913 2HH1 ARG 117 HH12 ARG 117 114.777 -4.184 4.717 914 1HH2 ARG 117 HH21 ARG 117 115.940 -7.407 4.242 915 2HH2 ARG 117 HH22 ARG 117 114.885 -6.159 3.665 916 H LEU 118 HN LEU 118 118.649 -2.034 10.488 917 HA LEU 118 HA LEU 118 119.746 -2.510 13.207 918 1HB LEU 118 HB2 LEU 118 118.953 -0.068 11.643 919 2HB LEU 118 HB1 LEU 118 119.046 0.012 13.403 920 HG LEU 118 HG LEU 118 121.379 -1.052 13.150 921 1HD1 LEU 118 HD12 LEU 118 120.736 -0.263 10.305 922 2HD1 LEU 118 HD11 LEU 118 122.399 -0.383 10.883 923 3HD1 LEU 118 HD13 LEU 118 121.355 -1.804 10.897 924 1HD2 LEU 118 HD22 LEU 118 120.802 1.397 13.642 925 2HD2 LEU 118 HD21 LEU 118 122.395 1.101 12.947 926 3HD2 LEU 118 HD23 LEU 118 121.086 1.701 11.929 927 H ALA 119 HN ALA 119 118.213 -1.088 14.858 928 HA ALA 119 HA ALA 119 115.463 -2.223 14.519 929 1HB ALA 119 HB1 ALA 119 117.097 -1.832 17.044 930 2HB ALA 119 HB3 ALA 119 115.402 -2.320 17.024 931 3HB ALA 119 HB2 ALA 119 116.631 -3.372 16.319 932 H GLY 120 HN GLY 120 117.366 0.449 15.908 933 1HA GLY 120 HA2 GLY 120 115.146 2.060 16.714 934 2HA GLY 120 HA1 GLY 120 116.765 2.670 16.371 935 H SER 121 HN SER 121 113.938 3.585 15.588 936 HA SER 121 HA SER 121 114.002 3.384 12.650 937 1HB SER 121 HB2 SER 121 111.987 4.958 12.888 938 2HB SER 121 HB1 SER 121 111.809 3.346 13.574 939 HG SER 121 HG SER 121 111.145 4.949 15.046 940 H PHE 122 HN PHE 122 114.378 5.163 11.260 941 HA PHE 122 HA PHE 122 115.202 7.744 12.441 942 1HB PHE 122 HB2 PHE 122 117.070 6.136 10.671 943 2HB PHE 122 HB1 PHE 122 117.385 7.736 11.341 944 HD1 PHE 122 HD2 PHE 122 117.546 8.023 13.843 945 HD2 PHE 122 HD1 PHE 122 117.405 4.162 11.966 946 HE1 PHE 122 HE2 PHE 122 118.421 6.982 15.918 947 HE2 PHE 122 HE1 PHE 122 118.280 3.121 14.040 948 HZ PHE 122 HZ PHE 122 118.787 4.532 16.016 949 H GLU 123 HN GLU 123 114.897 9.447 10.999 950 HA GLU 123 HA GLU 123 113.803 8.694 8.318 951 1HB GLU 123 HB2 GLU 123 112.616 10.903 8.437 952 2HB GLU 123 HB1 GLU 123 112.119 9.775 9.699 953 1HG GLU 123 HG2 GLU 123 113.443 10.888 11.349 954 2HG GLU 123 HG1 GLU 123 114.290 11.837 10.127 955 H GLY 124 HN GLY 124 114.566 9.827 6.501 956 1HA GLY 124 HA2 GLY 124 116.360 12.101 6.730 957 2HA GLY 124 HA1 GLY 124 117.225 10.612 6.346 958 H ASP 125 HN ASP 125 117.768 11.482 4.248 959 HA ASP 125 HA ASP 125 115.457 11.537 2.346 960 1HB ASP 125 HB2 ASP 125 116.914 13.002 0.922 961 2HB ASP 125 HB1 ASP 125 116.488 13.736 2.468 962 H THR 126 HN THR 126 118.851 10.590 2.812 963 HA THR 126 HA THR 126 119.060 9.194 0.284 964 HB THR 126 HB THR 126 120.730 8.529 2.699 965 HG1 THR 126 HG1 THR 126 121.787 10.399 2.517 966 1HG2 THR 126 HG23 THR 126 121.009 8.516 -0.282 967 2HG2 THR 126 HG22 THR 126 122.455 8.729 0.705 968 3HG2 THR 126 HG21 THR 126 121.467 7.280 0.889 969 H LYS 127 HN LYS 127 117.802 7.443 -0.128 970 HA LYS 127 HA LYS 127 117.396 5.463 2.081 971 1HB LYS 127 HB2 LYS 127 115.563 6.444 -0.091 972 2HB LYS 127 HB1 LYS 127 115.350 4.822 0.567 973 1HG LYS 127 HG2 LYS 127 115.325 5.859 2.873 974 2HG LYS 127 HG1 LYS 127 115.279 7.439 2.089 975 1HD LYS 127 HD2 LYS 127 113.139 7.104 1.233 976 2HD LYS 127 HD1 LYS 127 113.285 5.346 1.281 977 1HE LYS 127 HE2 LYS 127 112.900 5.249 3.597 978 2HE LYS 127 HE1 LYS 127 113.318 6.947 3.831 979 1HZ LYS 127 HZ2 LYS 127 111.322 7.521 2.520 980 2HZ LYS 127 HZ1 LYS 127 110.896 5.877 2.488 981 3HZ LYS 127 HZ3 LYS 127 110.959 6.707 3.966 982 H MET 128 HN MET 128 117.006 3.190 1.170 983 HA MET 128 HA MET 128 119.095 2.649 -0.862 984 1HB MET 128 HB2 MET 128 119.017 1.387 1.323 985 2HB MET 128 HB1 MET 128 117.498 0.666 0.785 986 1HG MET 128 HG2 MET 128 119.224 -0.891 0.199 987 2HG MET 128 HG1 MET 128 118.740 -0.099 -1.301 988 1HE MET 128 HE3 MET 128 120.526 -1.182 -2.128 989 2HE MET 128 HE2 MET 128 121.871 -0.168 -2.643 990 3HE MET 128 HE1 MET 128 122.102 -1.328 -1.338 991 H ILE 129 HN ILE 129 118.648 1.625 -2.827 992 HA ILE 129 HA ILE 129 116.064 2.033 -3.991 993 HB ILE 129 HB ILE 129 116.965 0.645 -5.873 994 1HG1 ILE 129 HG12 ILE 129 119.556 0.486 -4.352 995 2HG1 ILE 129 HG11 ILE 129 118.332 -0.762 -4.114 996 1HG2 ILE 129 HG23 ILE 129 118.559 2.885 -4.645 997 2HG2 ILE 129 HG22 ILE 129 119.099 2.131 -6.145 998 3HG2 ILE 129 HG21 ILE 129 117.522 2.917 -6.071 999 1HD1 ILE 129 HD11 ILE 129 118.258 -0.885 -6.705 1000 2HD1 ILE 129 HD13 ILE 129 119.800 -0.030 -6.643 1001 3HD1 ILE 129 HD12 ILE 129 119.638 -1.613 -5.882 1002 HA PRO 130 HA PRO 130 113.921 -1.732 -2.982 1003 1HB PRO 130 HB2 PRO 130 112.544 -2.115 -5.395 1004 2HB PRO 130 HB1 PRO 130 112.020 -1.096 -4.048 1005 1HG PRO 130 HG2 PRO 130 112.868 -0.275 -6.652 1006 2HG PRO 130 HG1 PRO 130 112.338 0.738 -5.301 1007 1HD PRO 130 HD2 PRO 130 115.051 0.228 -6.264 1008 2HD PRO 130 HD1 PRO 130 114.473 1.482 -5.157 1009 H LEU 131 HN LEU 131 115.479 -3.376 -2.857 1010 HA LEU 131 HA LEU 131 116.478 -4.621 -5.343 1011 1HB LEU 131 HB2 LEU 131 117.043 -5.194 -2.418 1012 2HB LEU 131 HB1 LEU 131 117.817 -6.028 -3.766 1013 HG LEU 131 HG LEU 131 117.864 -3.039 -3.753 1014 1HD1 LEU 131 HD13 LEU 131 119.363 -4.845 -1.871 1015 2HD1 LEU 131 HD12 LEU 131 120.120 -3.367 -2.463 1016 3HD1 LEU 131 HD11 LEU 131 118.616 -3.280 -1.548 1017 1HD2 LEU 131 HD22 LEU 131 119.752 -5.255 -4.606 1018 2HD2 LEU 131 HD21 LEU 131 118.794 -4.213 -5.660 1019 3HD2 LEU 131 HD23 LEU 131 120.133 -3.537 -4.731 1020 H ASN 132 HN ASN 132 116.070 -6.819 -5.880 1021 HA ASN 132 HA ASN 132 113.451 -7.803 -4.987 1022 1HB ASN 132 HB2 ASN 132 114.698 -7.910 -7.383 1023 2HB ASN 132 HB1 ASN 132 115.175 -9.480 -6.737 1024 1HD2 ASN 132 HD22 ASN 132 111.120 -8.818 -7.058 1025 2HD2 ASN 132 HD21 ASN 132 112.123 -7.547 -6.549 1026 H TRP 133 HN TRP 133 113.416 -8.855 -3.052 1027 HA TRP 133 HA TRP 133 115.750 -10.421 -2.160 1028 1HB TRP 133 HB2 TRP 133 113.061 -9.952 -0.834 1029 2HB TRP 133 HB1 TRP 133 114.461 -10.713 -0.078 1030 HD1 TRP 133 HD1 TRP 133 112.937 -7.390 -0.806 1031 HE1 TRP 133 HE1 TRP 133 114.508 -5.504 -0.021 1032 HE3 TRP 133 HE3 TRP 133 117.162 -10.098 0.143 1033 HZ2 TRP 133 HZ2 TRP 133 117.201 -5.185 0.890 1034 HZ3 TRP 133 HZ3 TRP 133 119.213 -8.979 0.968 1035 HH2 TRP 133 HH2 TRP 133 119.239 -6.528 1.342 1036 H ASP 134 HN ASP 134 112.542 -10.948 -3.482 1037 HA ASP 134 HA ASP 134 112.184 -13.682 -2.781 1038 1HB ASP 134 HB2 ASP 134 110.711 -13.769 -4.806 1039 2HB ASP 134 HB1 ASP 134 110.367 -12.392 -3.757 1040 H ASP 135 HN ASP 135 114.340 -12.192 -5.079 1041 HA ASP 135 HA ASP 135 114.857 -14.791 -6.419 1042 1HB ASP 135 HB2 ASP 135 114.638 -12.507 -7.638 1043 2HB ASP 135 HB1 ASP 135 116.264 -12.195 -7.029 1044 H PHE 136 HN PHE 136 115.626 -14.231 -3.585 1045 HA PHE 136 HA PHE 136 118.459 -15.039 -3.837 1046 1HB PHE 136 HB2 PHE 136 117.504 -12.576 -2.368 1047 2HB PHE 136 HB1 PHE 136 119.001 -13.395 -1.923 1048 HD1 PHE 136 HD1 PHE 136 117.234 -11.619 -4.658 1049 HD2 PHE 136 HD2 PHE 136 120.968 -13.250 -3.298 1050 HE1 PHE 136 HE1 PHE 136 118.410 -10.470 -6.513 1051 HE2 PHE 136 HE2 PHE 136 122.144 -12.102 -5.155 1052 HZ PHE 136 HZ PHE 136 120.866 -10.712 -6.762 1053 H THR 137 HN THR 137 119.259 -15.488 -1.419 1054 HA THR 137 HA THR 137 117.062 -16.432 0.318 1055 HB THR 137 HB THR 137 119.194 -18.339 -0.691 1056 HG1 THR 137 HG1 THR 137 117.320 -19.309 -1.708 1057 1HG2 THR 137 HG22 THR 137 116.753 -18.681 1.070 1058 2HG2 THR 137 HG21 THR 137 117.703 -20.019 0.424 1059 3HG2 THR 137 HG23 THR 137 118.438 -18.879 1.550 1060 H LYS 138 HN LYS 138 117.650 -16.303 2.451 1061 HA LYS 138 HA LYS 138 120.242 -15.141 3.109 1062 1HB LYS 138 HB2 LYS 138 117.943 -14.741 4.266 1063 2HB LYS 138 HB1 LYS 138 118.293 -16.240 5.128 1064 1HG LYS 138 HG2 LYS 138 120.209 -15.344 6.162 1065 2HG LYS 138 HG1 LYS 138 120.334 -14.028 4.995 1066 1HD LYS 138 HD2 LYS 138 119.463 -13.072 7.021 1067 2HD LYS 138 HD1 LYS 138 118.119 -13.169 5.882 1068 1HE LYS 138 HE2 LYS 138 118.553 -15.545 7.618 1069 2HE LYS 138 HE1 LYS 138 117.947 -14.092 8.412 1070 1HZ LYS 138 HZ1 LYS 138 116.297 -14.019 6.479 1071 2HZ LYS 138 HZ3 LYS 138 116.724 -15.640 6.219 1072 3HZ LYS 138 HZ2 LYS 138 116.041 -15.172 7.702 1073 H VAL 139 HN VAL 139 122.050 -16.321 3.456 1074 HA VAL 139 HA VAL 139 121.737 -19.195 4.217 1075 HB VAL 139 HB VAL 139 124.055 -19.449 3.298 1076 1HG1 VAL 139 HG12 VAL 139 121.811 -18.392 1.577 1077 2HG1 VAL 139 HG11 VAL 139 123.327 -18.950 0.868 1078 3HG1 VAL 139 HG13 VAL 139 122.327 -20.064 1.801 1079 1HG2 VAL 139 HG21 VAL 139 124.647 -17.014 3.648 1080 2HG2 VAL 139 HG23 VAL 139 125.053 -17.634 2.048 1081 3HG2 VAL 139 HG22 VAL 139 123.621 -16.630 2.265 1082 H SER 140 HN SER 140 123.274 -16.148 5.051 1083 HA SER 140 HA SER 140 124.170 -17.395 7.613 1084 1HB SER 140 HB2 SER 140 125.727 -15.537 5.803 1085 2HB SER 140 HB1 SER 140 126.149 -15.788 7.495 1086 HG SER 140 HG SER 140 125.857 -17.846 5.557 1087 H SER 141 HN SER 141 124.147 -15.939 9.421 1088 HA SER 141 HA SER 141 123.289 -13.174 9.120 1089 1HB SER 141 HB2 SER 141 121.171 -14.577 8.755 1090 2HB SER 141 HB1 SER 141 121.312 -15.040 10.448 1091 HG SER 141 HG SER 141 120.470 -12.703 9.328 1092 H ARG 142 HN ARG 142 123.672 -12.034 11.025 1093 HA ARG 142 HA ARG 142 124.287 -13.608 13.479 1094 1HB ARG 142 HB2 ARG 142 126.311 -12.730 11.906 1095 2HB ARG 142 HB1 ARG 142 126.065 -11.295 12.902 1096 1HG ARG 142 HG2 ARG 142 127.592 -12.523 14.182 1097 2HG ARG 142 HG1 ARG 142 126.049 -13.002 14.891 1098 1HD ARG 142 HD2 ARG 142 126.089 -15.106 13.900 1099 2HD ARG 142 HD1 ARG 142 127.136 -14.579 12.584 1100 HE ARG 142 HE ARG 142 129.004 -15.048 13.944 1101 1HH1 ARG 142 HH11 ARG 142 126.097 -14.912 15.885 1102 2HH1 ARG 142 HH12 ARG 142 126.901 -15.479 17.307 1103 1HH2 ARG 142 HH21 ARG 142 130.002 -15.779 15.807 1104 2HH2 ARG 142 HH22 ARG 142 129.087 -15.965 17.266 1105 H THR 143 HN THR 143 123.013 -12.789 15.054 1106 HA THR 143 HA THR 143 121.991 -10.023 14.832 1107 HB THR 143 HB THR 143 121.384 -12.021 17.020 1108 HG1 THR 143 HG1 THR 143 120.665 -13.149 15.380 1109 1HG2 THR 143 HG22 THR 143 120.708 -9.600 17.250 1110 2HG2 THR 143 HG21 THR 143 119.704 -9.809 15.814 1111 3HG2 THR 143 HG23 THR 143 119.360 -10.736 17.274 1112 H VAL 144 HN VAL 144 122.763 -8.358 16.058 1113 HA VAL 144 HA VAL 144 124.428 -8.995 18.446 1114 HB VAL 144 HB VAL 144 125.211 -6.977 16.322 1115 1HG1 VAL 144 HG13 VAL 144 126.489 -7.968 18.880 1116 2HG1 VAL 144 HG12 VAL 144 127.402 -7.120 17.632 1117 3HG1 VAL 144 HG11 VAL 144 126.067 -6.310 18.453 1118 1HG2 VAL 144 HG21 VAL 144 125.411 -9.322 15.520 1119 2HG2 VAL 144 HG23 VAL 144 126.990 -8.566 15.734 1120 3HG2 VAL 144 HG22 VAL 144 126.389 -9.708 16.936 1121 H GLU 145 HN GLU 145 123.671 -7.846 20.146 1122 HA GLU 145 HA GLU 145 121.999 -5.440 19.604 1123 1HB GLU 145 HB2 GLU 145 121.137 -7.380 21.029 1124 2HB GLU 145 HB1 GLU 145 122.316 -6.884 22.245 1125 1HG GLU 145 HG2 GLU 145 121.260 -4.506 21.909 1126 2HG GLU 145 HG1 GLU 145 119.894 -5.409 21.252 1127 H ASP 146 HN ASP 146 122.567 -3.435 20.442 1128 HA ASP 146 HA ASP 146 125.325 -3.227 21.535 1129 1HB ASP 146 HB2 ASP 146 124.141 -1.819 19.540 1130 2HB ASP 146 HB1 ASP 146 123.775 -0.772 20.911 1131 H THR 147 HN THR 147 125.177 -0.851 22.917 1132 HA THR 147 HA THR 147 124.047 -1.677 25.437 1133 HB THR 147 HB THR 147 124.626 0.708 26.116 1134 HG1 THR 147 HG1 THR 147 124.897 2.031 24.531 1135 1HG2 THR 147 HG22 THR 147 126.752 -0.946 24.726 1136 2HG2 THR 147 HG21 THR 147 127.065 0.327 25.905 1137 3HG2 THR 147 HG23 THR 147 126.216 -1.139 26.395 1138 H ASN 148 HN ASN 148 123.204 1.093 23.319 1139 HA ASN 148 HA ASN 148 120.703 1.568 24.713 1140 1HB ASN 148 HB2 ASN 148 121.819 2.575 22.083 1141 2HB ASN 148 HB1 ASN 148 120.258 3.088 22.726 1142 1HD2 ASN 148 HD22 ASN 148 123.282 5.208 23.929 1143 2HD2 ASN 148 HD21 ASN 148 123.035 4.500 22.406 1144 HA PRO 149 HA PRO 149 118.027 -1.151 22.427 1145 1HB PRO 149 HB2 PRO 149 115.707 0.416 22.493 1146 2HB PRO 149 HB1 PRO 149 116.250 -0.687 23.764 1147 1HG PRO 149 HG2 PRO 149 116.117 2.171 23.840 1148 2HG PRO 149 HG1 PRO 149 116.634 1.062 25.118 1149 1HD PRO 149 HD2 PRO 149 118.268 2.719 23.347 1150 2HD PRO 149 HD1 PRO 149 118.731 1.871 24.832 1151 H ALA 150 HN ALA 150 118.318 2.180 21.351 1152 HA ALA 150 HA ALA 150 117.132 1.494 18.713 1153 1HB ALA 150 HB1 ALA 150 116.696 3.692 20.103 1154 2HB ALA 150 HB3 ALA 150 118.229 4.204 19.397 1155 3HB ALA 150 HB2 ALA 150 116.873 3.782 18.351 1156 H LEU 151 HN LEU 151 119.749 0.426 19.613 1157 HA LEU 151 HA LEU 151 121.378 1.483 17.351 1158 1HB LEU 151 HB2 LEU 151 122.187 1.182 20.234 1159 2HB LEU 151 HB1 LEU 151 123.392 1.005 18.958 1160 HG LEU 151 HG LEU 151 121.556 3.400 19.243 1161 1HD1 LEU 151 HD13 LEU 151 123.483 2.873 21.011 1162 2HD1 LEU 151 HD12 LEU 151 124.504 3.526 19.729 1163 3HD1 LEU 151 HD11 LEU 151 123.211 4.510 20.415 1164 1HD2 LEU 151 HD21 LEU 151 123.751 2.585 17.362 1165 2HD2 LEU 151 HD23 LEU 151 122.210 3.362 17.003 1166 3HD2 LEU 151 HD22 LEU 151 123.522 4.296 17.722 1167 H THR 152 HN THR 152 119.691 -0.929 17.706 1168 HA THR 152 HA THR 152 121.571 -3.166 17.999 1169 HB THR 152 HB THR 152 118.726 -3.247 16.959 1170 HG1 THR 152 HG1 THR 152 119.690 -3.443 19.620 1171 1HG2 THR 152 HG23 THR 152 120.675 -5.253 18.079 1172 2HG2 THR 152 HG22 THR 152 118.937 -5.547 18.133 1173 3HG2 THR 152 HG21 THR 152 119.749 -5.336 16.582 1174 H HIS 153 HN HIS 153 121.927 -4.723 16.228 1175 HA HIS 153 HA HIS 153 121.332 -3.876 13.485 1176 1HB HIS 153 HB2 HIS 153 123.754 -3.806 12.830 1177 2HB HIS 153 HB1 HIS 153 123.283 -2.486 13.900 1178 HD1 HIS 153 HD1 HIS 153 123.827 -2.926 16.538 1179 HD2 HIS 153 HD2 HIS 153 125.850 -5.341 13.807 1180 HE1 HIS 153 HE1 HIS 153 125.783 -3.936 17.788 1181 H THR 154 HN THR 154 121.423 -5.627 12.082 1182 HA THR 154 HA THR 154 122.569 -8.170 13.163 1183 HB THR 154 HB THR 154 119.986 -7.919 11.591 1184 HG1 THR 154 HG1 THR 154 120.457 -8.409 14.344 1185 1HG2 THR 154 HG21 THR 154 121.409 -10.232 12.930 1186 2HG2 THR 154 HG23 THR 154 119.736 -10.309 12.376 1187 3HG2 THR 154 HG22 THR 154 121.039 -10.052 11.215 1188 H TYR 155 HN TYR 155 124.242 -8.658 11.831 1189 HA TYR 155 HA TYR 155 124.466 -7.660 9.128 1190 1HB TYR 155 HB2 TYR 155 125.988 -9.871 10.545 1191 2HB TYR 155 HB1 TYR 155 126.448 -9.154 9.001 1192 HD1 TYR 155 HD2 TYR 155 126.395 -6.431 9.082 1193 HD2 TYR 155 HD1 TYR 155 127.082 -9.045 12.421 1194 HE1 TYR 155 HE2 TYR 155 127.558 -4.597 10.279 1195 HE2 TYR 155 HE1 TYR 155 128.245 -7.211 13.618 1196 HH TYR 155 HH TYR 155 129.341 -4.455 12.133 1197 H GLU 156 HN GLU 156 122.892 -8.374 7.723 1198 HA GLU 156 HA GLU 156 122.248 -11.279 7.661 1199 1HB GLU 156 HB2 GLU 156 120.933 -8.915 6.287 1200 2HB GLU 156 HB1 GLU 156 120.380 -10.586 6.173 1201 1HG GLU 156 HG2 GLU 156 120.331 -10.521 8.768 1202 2HG GLU 156 HG1 GLU 156 120.380 -8.769 8.577 1203 H VAL 157 HN VAL 157 123.042 -12.552 6.054 1204 HA VAL 157 HA VAL 157 124.427 -11.201 3.773 1205 HB VAL 157 HB VAL 157 124.870 -14.003 4.848 1206 1HG1 VAL 157 HG13 VAL 157 125.441 -13.516 2.428 1207 2HG1 VAL 157 HG12 VAL 157 126.592 -12.314 3.014 1208 3HG1 VAL 157 HG11 VAL 157 126.812 -14.017 3.419 1209 1HG2 VAL 157 HG23 VAL 157 126.206 -11.358 5.427 1210 2HG2 VAL 157 HG22 VAL 157 125.638 -12.576 6.571 1211 3HG2 VAL 157 HG21 VAL 157 127.083 -12.879 5.605 1212 H TRP 158 HN TRP 158 123.088 -11.215 2.029 1213 HA TRP 158 HA TRP 158 121.310 -13.564 1.594 1214 1HB TRP 158 HB2 TRP 158 121.355 -10.813 0.317 1215 2HB TRP 158 HB1 TRP 158 120.218 -12.093 -0.109 1216 HD1 TRP 158 HD1 TRP 158 121.331 -10.113 3.022 1217 HE1 TRP 158 HE1 TRP 158 119.291 -9.860 4.577 1218 HE3 TRP 158 HE3 TRP 158 117.885 -12.828 0.406 1219 HZ2 TRP 158 HZ2 TRP 158 116.559 -10.698 4.697 1220 HZ3 TRP 158 HZ3 TRP 158 115.573 -13.084 1.263 1221 HH2 TRP 158 HH2 TRP 158 114.907 -12.023 3.403 1222 H GLN 159 HN GLN 159 121.990 -15.086 0.176 1223 HA GLN 159 HA GLN 159 124.056 -14.320 -1.840 1224 1HB GLN 159 HB2 GLN 159 123.447 -16.846 -0.345 1225 2HB GLN 159 HB1 GLN 159 124.191 -16.966 -1.940 1226 1HG GLN 159 HG2 GLN 159 125.395 -14.953 -0.127 1227 2HG GLN 159 HG1 GLN 159 125.612 -16.634 0.358 1228 1HE2 GLN 159 HE22 GLN 159 127.014 -15.752 -3.409 1229 2HE2 GLN 159 HE21 GLN 159 125.486 -15.181 -2.939 1230 H LYS 160 HN LYS 160 123.800 -15.122 -4.016 1231 HA LYS 160 HA LYS 160 120.973 -15.293 -4.839 1232 1HB LYS 160 HB2 LYS 160 122.952 -13.959 -5.979 1233 2HB LYS 160 HB1 LYS 160 123.269 -15.510 -6.758 1234 1HG LYS 160 HG2 LYS 160 120.967 -15.587 -7.599 1235 2HG LYS 160 HG1 LYS 160 120.598 -14.073 -6.773 1236 1HD LYS 160 HD2 LYS 160 122.678 -13.182 -8.137 1237 2HD LYS 160 HD1 LYS 160 122.299 -14.540 -9.196 1238 1HE LYS 160 HE2 LYS 160 120.271 -12.464 -8.328 1239 2HE LYS 160 HE1 LYS 160 121.155 -12.398 -9.852 1240 1HZ LYS 160 HZ1 LYS 160 120.254 -14.601 -10.390 1241 2HZ LYS 160 HZ3 LYS 160 119.340 -14.573 -8.961 1242 3HZ LYS 160 HZ2 LYS 160 119.031 -13.438 -10.188 1243 H LYS 161 HN LYS 161 120.001 -17.240 -5.030 1244 HA LYS 161 HA LYS 161 121.565 -19.710 -5.024 1245 1HB LYS 161 HB2 LYS 161 119.341 -20.818 -5.091 1246 2HB LYS 161 HB1 LYS 161 119.443 -19.616 -3.806 1247 1HG LYS 161 HG2 LYS 161 118.548 -18.162 -6.025 1248 2HG LYS 161 HG1 LYS 161 117.678 -19.690 -6.133 1249 1HD LYS 161 HD2 LYS 161 116.952 -19.435 -3.778 1250 2HD LYS 161 HD1 LYS 161 117.796 -17.887 -3.698 1251 1HE LYS 161 HE2 LYS 161 115.502 -17.375 -4.166 1252 2HE LYS 161 HE1 LYS 161 116.380 -17.148 -5.680 1253 1HZ LYS 161 HZ2 LYS 161 114.882 -19.594 -4.908 1254 2HZ LYS 161 HZ1 LYS 161 114.341 -18.412 -6.002 1255 3HZ LYS 161 HZ3 LYS 161 115.703 -19.350 -6.375 1256 H ALA 162 HN ALA 162 119.922 -17.727 -7.404 1257 HA ALA 162 HA ALA 162 121.244 -19.020 -9.601 1258 1HB ALA 162 HB1 ALA 162 118.294 -19.646 -9.262 1259 2HB ALA 162 HB3 ALA 162 119.263 -20.035 -10.683 1260 3HB ALA 162 HB2 ALA 162 119.613 -20.810 -9.138 1261 1HN2 MTX 170 1HN2 MTX 170 128.734 -1.855 7.898 1262 2HN2 MTX 170 2HN2 MTX 170 128.599 -2.292 6.264 1263 1HN4 MTX 170 1HN4 MTX 170 128.814 0.957 2.841 1264 2HN4 MTX 170 2HN4 MTX 170 129.030 2.594 3.234 1265 H7 MTX 170 H7 MTX 170 129.595 5.023 8.572 1266 1H9 MTX 170 H91 MTX 170 128.633 6.466 5.717 1267 2H9 MTX 170 H92 MTX 170 130.300 6.151 5.222 1268 1HM MTX 170 HM1 MTX 170 129.852 8.954 7.592 1269 2HM MTX 170 HM2 MTX 170 128.418 8.177 6.856 1270 3HM MTX 170 HM3 MTX 170 128.857 7.818 8.553 1271 H12 MTX 170 H13 MTX 170 133.012 7.112 10.680 1272 H13 MTX 170 H12 MTX 170 130.775 7.510 9.646 1273 H15 MTX 170 H16 MTX 170 132.225 5.867 5.902 1274 H16 MTX 170 H15 MTX 170 134.458 5.474 6.947 1275 HN MTX 170 HN MTX 170 135.409 4.310 8.401 1276 HA MTX 170 HA MTX 170 137.663 5.546 9.760 1277 1HB MTX 170 HB1 MTX 170 136.852 2.809 10.801 1278 2HB MTX 170 HB2 MTX 170 136.116 4.246 11.494 1279 1HG MTX 170 HG1 MTX 170 138.555 5.153 11.762 1280 2HG MTX 170 HG2 MTX 170 139.084 3.508 11.421 1281 HN1 MTX 170 H1N MTX 170 129.032 0.362 8.510 No H/Q in entry = 1281 Start of MODEL 15 1 1H THR 1 HT3 THR 1 132.590 -8.269 -6.893 2 2H THR 1 HT2 THR 1 132.823 -7.091 -8.095 3 3H THR 1 HT1 THR 1 133.046 -6.694 -6.457 4 HA THR 1 HA THR 1 130.958 -5.802 -7.132 5 HB THR 1 HB THR 1 129.207 -7.565 -7.879 6 HG1 THR 1 HG1 THR 1 129.945 -9.485 -8.217 7 1HG2 THR 1 HG22 THR 1 131.510 -6.652 -9.613 8 2HG2 THR 1 HG21 THR 1 130.058 -7.411 -10.264 9 3HG2 THR 1 HG23 THR 1 129.942 -5.871 -9.411 10 H ALA 2 HN ALA 2 130.482 -5.421 -5.005 11 HA ALA 2 HA ALA 2 129.052 -7.509 -3.512 12 1HB ALA 2 HB1 ALA 2 131.533 -7.829 -3.027 13 2HB ALA 2 HB3 ALA 2 131.497 -6.244 -2.255 14 3HB ALA 2 HB2 ALA 2 130.513 -7.559 -1.614 15 H PHE 3 HN PHE 3 127.281 -6.368 -2.914 16 HA PHE 3 HA PHE 3 127.335 -3.481 -2.542 17 1HB PHE 3 HB2 PHE 3 125.267 -5.644 -2.304 18 2HB PHE 3 HB1 PHE 3 124.944 -4.070 -1.581 19 HD1 PHE 3 HD1 PHE 3 126.724 -5.057 -4.741 20 HD2 PHE 3 HD2 PHE 3 123.463 -2.907 -2.951 21 HE1 PHE 3 HE1 PHE 3 126.097 -4.153 -6.964 22 HE2 PHE 3 HE2 PHE 3 122.838 -2.004 -5.174 23 HZ PHE 3 HZ PHE 3 124.154 -2.627 -7.180 24 H LEU 4 HN LEU 4 126.997 -2.369 -0.537 25 HA LEU 4 HA LEU 4 126.960 -3.859 1.982 26 1HB LEU 4 HB2 LEU 4 129.374 -3.922 1.305 27 2HB LEU 4 HB1 LEU 4 129.382 -2.158 1.318 28 HG LEU 4 HG LEU 4 128.429 -2.438 3.746 29 1HD1 LEU 4 HD11 LEU 4 129.465 -5.167 3.042 30 2HD1 LEU 4 HD13 LEU 4 129.650 -4.575 4.693 31 3HD1 LEU 4 HD12 LEU 4 128.042 -4.724 3.984 32 1HD2 LEU 4 HD23 LEU 4 130.669 -1.518 3.106 33 2HD2 LEU 4 HD22 LEU 4 130.708 -2.420 4.621 34 3HD2 LEU 4 HD21 LEU 4 131.315 -3.158 3.139 35 H TRP 5 HN TRP 5 125.412 -2.664 2.999 36 HA TRP 5 HA TRP 5 125.919 0.175 3.493 37 1HB TRP 5 HB2 TRP 5 123.898 1.037 2.500 38 2HB TRP 5 HB1 TRP 5 124.745 0.120 1.259 39 HD1 TRP 5 HD1 TRP 5 121.453 0.491 2.809 40 HE1 TRP 5 HE1 TRP 5 119.894 -1.458 2.176 41 HE3 TRP 5 HE3 TRP 5 124.861 -2.775 0.840 42 HZ2 TRP 5 HZ2 TRP 5 120.062 -4.052 0.997 43 HZ3 TRP 5 HZ3 TRP 5 124.129 -4.978 -0.024 44 HH2 TRP 5 HH2 TRP 5 121.736 -5.620 0.049 45 H ALA 6 HN ALA 6 124.080 1.074 4.938 46 HA ALA 6 HA ALA 6 123.088 -1.127 6.708 47 1HB ALA 6 HB3 ALA 6 124.100 1.640 7.414 48 2HB ALA 6 HB2 ALA 6 123.256 0.594 8.556 49 3HB ALA 6 HB1 ALA 6 124.806 0.094 7.882 50 H GLN 7 HN GLN 7 120.951 -0.965 7.434 51 HA GLN 7 HA GLN 7 119.385 1.455 6.770 52 1HB GLN 7 HB2 GLN 7 117.656 0.094 5.587 53 2HB GLN 7 HB1 GLN 7 119.192 0.142 4.723 54 1HG GLN 7 HG2 GLN 7 119.617 -2.077 5.076 55 2HG GLN 7 HG1 GLN 7 118.886 -2.065 6.683 56 1HE2 GLN 7 HE22 GLN 7 116.170 -2.228 3.599 57 2HE2 GLN 7 HE21 GLN 7 117.445 -1.111 3.523 58 H ASP 8 HN ASP 8 117.024 1.080 7.567 59 HA ASP 8 HA ASP 8 117.127 -0.529 10.090 60 1HB ASP 8 HB2 ASP 8 115.452 1.161 10.963 61 2HB ASP 8 HB1 ASP 8 117.065 1.811 10.670 62 H ARG 9 HN ARG 9 114.544 -0.608 10.828 63 HA ARG 9 HA ARG 9 113.364 -2.480 8.992 64 1HB ARG 9 HB2 ARG 9 111.367 -2.308 10.518 65 2HB ARG 9 HB1 ARG 9 112.877 -2.672 11.354 66 1HG ARG 9 HG2 ARG 9 112.994 -0.590 12.345 67 2HG ARG 9 HG1 ARG 9 112.134 0.203 11.025 68 1HD ARG 9 HD2 ARG 9 110.045 -0.386 11.845 69 2HD ARG 9 HD1 ARG 9 110.663 -1.809 12.686 70 HE ARG 9 HE ARG 9 111.810 0.482 13.908 71 1HH1 ARG 9 HH21 ARG 9 108.683 -1.032 13.500 72 2HH1 ARG 9 HH22 ARG 9 108.072 -0.400 14.989 73 1HH2 ARG 9 HH11 ARG 9 110.978 1.278 15.825 74 2HH2 ARG 9 HH12 ARG 9 109.355 0.895 16.292 75 H ASP 10 HN ASP 10 113.074 0.985 9.386 76 HA ASP 10 HA ASP 10 110.585 1.274 7.938 77 1HB ASP 10 HB2 ASP 10 112.827 3.201 8.587 78 2HB ASP 10 HB1 ASP 10 111.367 3.685 7.722 79 H GLY 11 HN GLY 11 114.018 1.666 7.014 80 1HA GLY 11 HA2 GLY 11 114.391 0.555 4.684 81 2HA GLY 11 HA1 GLY 11 113.164 1.705 4.156 82 H LEU 12 HN LEU 12 114.332 3.690 6.202 83 HA LEU 12 HA LEU 12 115.946 5.196 4.425 84 1HB LEU 12 HB2 LEU 12 114.789 6.092 6.461 85 2HB LEU 12 HB1 LEU 12 116.008 5.295 7.456 86 HG LEU 12 HG LEU 12 117.684 6.592 5.863 87 1HD1 LEU 12 HD11 LEU 12 115.752 7.453 4.471 88 2HD1 LEU 12 HD13 LEU 12 115.269 8.423 5.862 89 3HD1 LEU 12 HD12 LEU 12 116.828 8.708 5.086 90 1HD2 LEU 12 HD21 LEU 12 116.100 7.893 8.102 91 2HD2 LEU 12 HD23 LEU 12 117.540 6.894 8.294 92 3HD2 LEU 12 HD22 LEU 12 117.657 8.467 7.503 93 H ILE 13 HN ILE 13 118.163 5.329 4.110 94 HA ILE 13 HA ILE 13 119.810 3.252 5.497 95 HB ILE 13 HB ILE 13 121.267 3.343 3.464 96 1HG1 ILE 13 HG12 ILE 13 119.005 5.018 2.324 97 2HG1 ILE 13 HG11 ILE 13 120.577 5.661 2.796 98 1HG2 ILE 13 HG22 ILE 13 119.000 1.926 3.848 99 2HG2 ILE 13 HG21 ILE 13 118.548 2.800 2.385 100 3HG2 ILE 13 HG23 ILE 13 119.981 1.773 2.391 101 1HD1 ILE 13 HD13 ILE 13 120.363 3.361 0.859 102 2HD1 ILE 13 HD12 ILE 13 120.236 5.031 0.306 103 3HD1 ILE 13 HD11 ILE 13 121.709 4.476 1.100 104 H GLY 14 HN GLY 14 119.645 6.617 4.451 105 1HA GLY 14 HA2 GLY 14 121.674 7.333 6.452 106 2HA GLY 14 HA1 GLY 14 122.139 7.655 4.781 107 H LYS 15 HN LYS 15 122.143 9.940 5.731 108 HA LYS 15 HA LYS 15 119.611 11.240 4.989 109 1HB LYS 15 HB2 LYS 15 119.437 10.670 7.461 110 2HB LYS 15 HB1 LYS 15 120.788 11.774 7.727 111 1HG LYS 15 HG2 LYS 15 119.521 13.626 6.784 112 2HG LYS 15 HG1 LYS 15 118.196 12.545 6.356 113 1HD LYS 15 HD2 LYS 15 117.634 12.157 8.634 114 2HD LYS 15 HD1 LYS 15 119.156 12.842 9.205 115 1HE LYS 15 HE2 LYS 15 117.562 14.553 9.589 116 2HE LYS 15 HE1 LYS 15 118.375 15.036 8.100 117 1HZ LYS 15 HZ1 LYS 15 115.849 13.484 8.172 118 2HZ LYS 15 HZ3 LYS 15 115.913 15.171 8.013 119 3HZ LYS 15 HZ2 LYS 15 116.591 14.179 6.811 120 H ASP 16 HN ASP 16 120.316 12.799 3.630 121 HA ASP 16 HA ASP 16 121.599 14.545 2.736 122 1HB ASP 16 HB2 ASP 16 121.875 14.836 5.688 123 2HB ASP 16 HB1 ASP 16 123.024 15.728 4.689 124 H GLY 17 HN GLY 17 122.749 11.779 3.045 125 1HA GLY 17 HA2 GLY 17 124.818 11.015 2.074 126 2HA GLY 17 HA1 GLY 17 125.564 12.550 2.518 127 H HIS 18 HN HIS 18 124.826 12.670 5.231 128 HA HIS 18 HA HIS 18 126.662 10.636 6.336 129 1HB HIS 18 HB2 HIS 18 126.448 11.994 8.435 130 2HB HIS 18 HB1 HIS 18 127.015 12.933 7.056 131 HD1 HIS 18 HD1 HIS 18 123.875 12.287 9.080 132 HD2 HIS 18 HD2 HIS 18 125.320 15.030 6.294 133 HE1 HIS 18 HE1 HIS 18 122.176 14.162 8.973 134 H LEU 19 HN LEU 19 126.039 9.429 8.300 135 HA LEU 19 HA LEU 19 123.345 8.323 8.038 136 1HB LEU 19 HB2 LEU 19 125.748 7.707 9.742 137 2HB LEU 19 HB1 LEU 19 124.182 6.987 10.120 138 HG LEU 19 HG LEU 19 125.289 6.871 7.321 139 1HD1 LEU 19 HD13 LEU 19 125.837 4.941 9.597 140 2HD1 LEU 19 HD12 LEU 19 126.215 4.635 7.901 141 3HD1 LEU 19 HD11 LEU 19 127.034 5.935 8.767 142 1HD2 LEU 19 HD23 LEU 19 123.313 5.259 8.960 143 2HD2 LEU 19 HD22 LEU 19 122.972 6.249 7.540 144 3HD2 LEU 19 HD21 LEU 19 123.889 4.751 7.372 145 HA PRO 20 HA PRO 20 121.473 10.776 11.260 146 1HB PRO 20 HB2 PRO 20 119.385 9.029 11.858 147 2HB PRO 20 HB1 PRO 20 119.385 10.219 10.550 148 1HG PRO 20 HG2 PRO 20 119.465 7.348 10.362 149 2HG PRO 20 HG1 PRO 20 119.340 8.539 9.061 150 1HD PRO 20 HD2 PRO 20 121.665 7.013 9.913 151 2HD PRO 20 HD1 PRO 20 121.461 8.029 8.477 152 H TRP 21 HN TRP 21 122.351 7.425 11.844 153 HA TRP 21 HA TRP 21 122.349 7.969 14.786 154 1HB TRP 21 HB2 TRP 21 122.305 5.475 15.029 155 2HB TRP 21 HB1 TRP 21 120.879 6.114 14.214 156 HD1 TRP 21 HD1 TRP 21 124.256 4.447 13.392 157 HE1 TRP 21 HE1 TRP 21 124.017 3.189 11.155 158 HE3 TRP 21 HE3 TRP 21 119.514 5.836 12.100 159 HZ2 TRP 21 HZ2 TRP 21 122.072 2.820 9.090 160 HZ3 TRP 21 HZ3 TRP 21 118.494 5.018 9.995 161 HH2 TRP 21 HH2 TRP 21 119.767 3.514 8.489 162 H HIS 22 HN HIS 22 124.055 6.135 15.732 163 HA HIS 22 HA HIS 22 126.580 6.343 14.168 164 1HB HIS 22 HB2 HIS 22 126.354 8.214 15.913 165 2HB HIS 22 HB1 HIS 22 126.477 6.946 17.131 166 HD1 HIS 22 HD1 HIS 22 128.402 7.658 13.902 167 HD2 HIS 22 HD2 HIS 22 129.111 6.796 17.919 168 HE1 HIS 22 HE1 HIS 22 130.917 7.542 14.176 169 H LEU 23 HN LEU 23 126.923 4.176 13.845 170 HA LEU 23 HA LEU 23 126.701 2.371 16.221 171 1HB LEU 23 HB2 LEU 23 125.366 2.073 13.902 172 2HB LEU 23 HB1 LEU 23 126.858 1.237 13.470 173 HG LEU 23 HG LEU 23 126.605 -0.026 15.690 174 1HD1 LEU 23 HD11 LEU 23 123.989 1.442 15.505 175 2HD1 LEU 23 HD13 LEU 23 124.042 -0.155 16.250 176 3HD1 LEU 23 HD12 LEU 23 125.008 1.161 16.916 177 1HD2 LEU 23 HD22 LEU 23 125.013 -0.323 13.195 178 2HD2 LEU 23 HD21 LEU 23 126.142 -1.449 13.950 179 3HD2 LEU 23 HD23 LEU 23 124.496 -1.306 14.565 180 HA PRO 24 HA PRO 24 131.276 3.001 15.592 181 1HB PRO 24 HB2 PRO 24 131.470 1.592 18.130 182 2HB PRO 24 HB1 PRO 24 131.945 3.249 17.738 183 1HG PRO 24 HG2 PRO 24 129.647 2.358 19.195 184 2HG PRO 24 HG1 PRO 24 130.148 4.017 18.837 185 1HD PRO 24 HD2 PRO 24 127.916 2.682 17.770 186 2HD PRO 24 HD1 PRO 24 128.590 4.220 17.212 187 H ASP 25 HN ASP 25 129.431 0.146 16.601 188 HA ASP 25 HA ASP 25 131.508 -1.779 16.075 189 1HB ASP 25 HB2 ASP 25 129.432 -2.197 17.452 190 2HB ASP 25 HB1 ASP 25 128.514 -2.233 15.946 191 H ASP 26 HN ASP 26 128.809 -0.522 14.114 192 HA ASP 26 HA ASP 26 129.246 -2.189 11.834 193 1HB ASP 26 HB2 ASP 26 127.238 -0.668 12.319 194 2HB ASP 26 HB1 ASP 26 128.232 0.656 11.709 195 H LEU 27 HN LEU 27 130.817 0.746 12.946 196 HA LEU 27 HA LEU 27 132.118 1.454 10.487 197 1HB LEU 27 HB2 LEU 27 132.674 2.010 13.398 198 2HB LEU 27 HB1 LEU 27 133.812 2.525 12.152 199 HG LEU 27 HG LEU 27 130.875 3.168 11.930 200 1HD1 LEU 27 HD13 LEU 27 132.992 4.495 13.597 201 2HD1 LEU 27 HD12 LEU 27 131.748 5.482 12.831 202 3HD1 LEU 27 HD11 LEU 27 131.292 4.218 13.972 203 1HD2 LEU 27 HD22 LEU 27 133.460 4.132 10.719 204 2HD2 LEU 27 HD21 LEU 27 131.985 3.611 9.904 205 3HD2 LEU 27 HD23 LEU 27 132.037 5.174 10.722 206 H HIS 28 HN HIS 28 132.924 -0.795 13.087 207 HA HIS 28 HA HIS 28 135.619 -1.338 12.217 208 1HB HIS 28 HB2 HIS 28 133.707 -3.078 13.806 209 2HB HIS 28 HB1 HIS 28 135.447 -3.326 13.672 210 HD1 HIS 28 HD1 HIS 28 136.468 -0.463 14.011 211 HD2 HIS 28 HD2 HIS 28 133.467 -2.101 16.396 212 HE1 HIS 28 HE1 HIS 28 136.441 0.884 16.157 213 H TYR 29 HN TYR 29 132.471 -2.837 11.534 214 HA TYR 29 HA TYR 29 133.508 -5.018 9.969 215 1HB TYR 29 HB2 TYR 29 131.123 -4.655 10.978 216 2HB TYR 29 HB1 TYR 29 130.807 -3.783 9.478 217 HD1 TYR 29 HD2 TYR 29 132.479 -6.971 10.561 218 HD2 TYR 29 HD1 TYR 29 129.906 -5.018 7.729 219 HE1 TYR 29 HE2 TYR 29 132.150 -9.124 9.376 220 HE2 TYR 29 HE1 TYR 29 129.576 -7.172 6.544 221 HH TYR 29 HH TYR 29 129.725 -9.706 7.264 222 H PHE 30 HN PHE 30 132.671 -1.680 9.236 223 HA PHE 30 HA PHE 30 132.677 -1.923 6.371 224 1HB PHE 30 HB2 PHE 30 131.747 0.026 7.656 225 2HB PHE 30 HB1 PHE 30 133.401 0.512 8.027 226 HD1 PHE 30 HD1 PHE 30 131.148 -0.301 5.148 227 HD2 PHE 30 HD2 PHE 30 134.607 1.848 6.517 228 HE1 PHE 30 HE1 PHE 30 131.307 0.843 2.954 229 HE2 PHE 30 HE2 PHE 30 134.765 2.991 4.322 230 HZ PHE 30 HZ PHE 30 133.115 2.488 2.540 231 H ARG 31 HN ARG 31 135.210 -1.126 8.740 232 HA ARG 31 HA ARG 31 137.280 -0.603 6.824 233 1HB ARG 31 HB2 ARG 31 137.156 -0.226 9.449 234 2HB ARG 31 HB1 ARG 31 137.922 -1.815 9.487 235 1HG ARG 31 HG2 ARG 31 139.829 -1.067 8.345 236 2HG ARG 31 HG1 ARG 31 138.995 0.338 7.680 237 1HD ARG 31 HD2 ARG 31 140.231 1.341 9.372 238 2HD ARG 31 HD1 ARG 31 138.731 0.991 10.230 239 HE ARG 31 HE ARG 31 139.907 -0.574 11.534 240 1HH1 ARG 31 HH21 ARG 31 141.724 0.177 8.641 241 2HH1 ARG 31 HH22 ARG 31 143.104 -0.729 9.153 242 1HH2 ARG 31 HH11 ARG 31 141.714 -1.735 12.156 243 2HH2 ARG 31 HH12 ARG 31 143.102 -1.800 11.121 244 H ALA 32 HN ALA 32 136.077 -3.565 8.320 245 HA ALA 32 HA ALA 32 138.235 -5.259 7.406 246 1HB ALA 32 HB1 ALA 32 135.385 -5.918 8.208 247 2HB ALA 32 HB3 ALA 32 136.648 -7.117 7.924 248 3HB ALA 32 HB2 ALA 32 136.805 -5.967 9.254 249 H GLN 33 HN GLN 33 135.225 -4.124 5.996 250 HA GLN 33 HA GLN 33 135.623 -5.901 3.641 251 1HB GLN 33 HB2 GLN 33 133.310 -4.092 4.410 252 2HB GLN 33 HB1 GLN 33 133.360 -5.112 2.971 253 1HG GLN 33 HG2 GLN 33 133.754 -6.237 5.748 254 2HG GLN 33 HG1 GLN 33 132.157 -6.091 5.012 255 1HE2 GLN 33 HE22 GLN 33 134.074 -9.374 4.164 256 2HE2 GLN 33 HE21 GLN 33 134.107 -8.495 5.616 257 H THR 34 HN THR 34 137.455 -3.721 4.098 258 HA THR 34 HA THR 34 137.037 -2.262 1.558 259 HB THR 34 HB THR 34 137.664 -0.092 2.726 260 HG1 THR 34 HG1 THR 34 136.890 -1.591 5.004 261 1HG2 THR 34 HG21 THR 34 135.058 -1.438 3.487 262 2HG2 THR 34 HG23 THR 34 135.358 0.298 3.558 263 3HG2 THR 34 HG22 THR 34 135.368 -0.536 2.005 264 H VAL 35 HN VAL 35 139.150 -2.706 4.402 265 HA VAL 35 HA VAL 35 141.569 -1.856 3.150 266 HB VAL 35 HB VAL 35 142.699 -3.170 4.944 267 1HG1 VAL 35 HG11 VAL 35 141.749 -0.884 5.340 268 2HG1 VAL 35 HG13 VAL 35 140.274 -1.644 5.937 269 3HG1 VAL 35 HG12 VAL 35 141.797 -1.879 6.794 270 1HG2 VAL 35 HG21 VAL 35 139.991 -4.382 5.059 271 2HG2 VAL 35 HG23 VAL 35 141.556 -5.084 5.466 272 3HG2 VAL 35 HG22 VAL 35 140.733 -4.037 6.621 273 H GLY 36 HN GLY 36 142.471 -2.756 1.377 274 1HA GLY 36 HA2 GLY 36 143.535 -4.490 0.137 275 2HA GLY 36 HA1 GLY 36 142.835 -5.674 1.241 276 H LYS 37 HN LYS 37 141.046 -3.139 -0.457 277 HA LYS 37 HA LYS 37 139.999 -5.015 -2.455 278 1HB LYS 37 HB2 LYS 37 138.362 -4.065 -0.106 279 2HB LYS 37 HB1 LYS 37 137.593 -4.473 -1.641 280 1HG LYS 37 HG2 LYS 37 138.957 -6.682 -1.480 281 2HG LYS 37 HG1 LYS 37 139.140 -6.265 0.225 282 1HD LYS 37 HD2 LYS 37 136.529 -5.884 0.093 283 2HD LYS 37 HD1 LYS 37 136.653 -6.962 -1.298 284 1HE LYS 37 HE2 LYS 37 137.855 -8.613 0.138 285 2HE LYS 37 HE1 LYS 37 137.595 -7.553 1.523 286 1HZ LYS 37 HZ1 LYS 37 135.170 -7.686 0.978 287 2HZ LYS 37 HZ3 LYS 37 135.545 -8.924 -0.118 288 3HZ LYS 37 HZ2 LYS 37 135.863 -9.132 1.538 289 H ILE 38 HN ILE 38 137.969 -3.737 -3.534 290 HA ILE 38 HA ILE 38 139.053 -1.035 -4.153 291 HB ILE 38 HB ILE 38 136.951 -2.640 -5.639 292 1HG1 ILE 38 HG12 ILE 38 139.886 -2.287 -6.316 293 2HG1 ILE 38 HG11 ILE 38 139.235 -3.722 -5.521 294 1HG2 ILE 38 HG23 ILE 38 136.921 -0.184 -6.018 295 2HG2 ILE 38 HG22 ILE 38 138.628 -0.248 -6.461 296 3HG2 ILE 38 HG21 ILE 38 137.426 -1.064 -7.460 297 1HD1 ILE 38 HD12 ILE 38 138.003 -2.740 -8.082 298 2HD1 ILE 38 HD11 ILE 38 139.473 -3.713 -8.129 299 3HD1 ILE 38 HD13 ILE 38 138.004 -4.368 -7.404 300 H MET 39 HN MET 39 138.112 0.578 -3.010 301 HA MET 39 HA MET 39 135.343 0.259 -2.012 302 1HB MET 39 HB2 MET 39 137.399 1.217 -0.690 303 2HB MET 39 HB1 MET 39 137.035 2.704 -1.566 304 1HG MET 39 HG2 MET 39 134.701 2.606 -0.736 305 2HG MET 39 HG1 MET 39 135.099 1.150 0.175 306 1HE MET 39 HE1 MET 39 135.435 4.611 -0.593 307 2HE MET 39 HE3 MET 39 134.681 5.010 0.957 308 3HE MET 39 HE2 MET 39 136.365 5.432 0.659 309 H VAL 40 HN VAL 40 133.768 0.848 -3.421 310 HA VAL 40 HA VAL 40 134.296 3.101 -5.303 311 HB VAL 40 HB VAL 40 132.028 1.086 -5.333 312 1HG1 VAL 40 HG13 VAL 40 133.066 3.038 -7.413 313 2HG1 VAL 40 HG12 VAL 40 131.761 1.877 -7.663 314 3HG1 VAL 40 HG11 VAL 40 131.558 3.199 -6.513 315 1HG2 VAL 40 HG23 VAL 40 134.668 1.139 -6.828 316 2HG2 VAL 40 HG22 VAL 40 134.150 -0.071 -5.655 317 3HG2 VAL 40 HG21 VAL 40 133.330 0.057 -7.211 318 H VAL 41 HN VAL 41 133.421 5.038 -4.791 319 HA VAL 41 HA VAL 41 130.807 5.128 -3.387 320 HB VAL 41 HB VAL 41 131.706 6.878 -1.830 321 1HG1 VAL 41 HG13 VAL 41 131.529 4.374 -1.301 322 2HG1 VAL 41 HG12 VAL 41 133.269 4.302 -1.581 323 3HG1 VAL 41 HG11 VAL 41 132.625 5.312 -0.286 324 1HG2 VAL 41 HG23 VAL 41 133.706 7.345 -3.372 325 2HG2 VAL 41 HG22 VAL 41 134.056 7.256 -1.646 326 3HG2 VAL 41 HG21 VAL 41 134.433 5.888 -2.693 327 H GLY 42 HN GLY 42 129.647 7.069 -3.799 328 1HA GLY 42 HA2 GLY 42 130.485 8.468 -6.247 329 2HA GLY 42 HA1 GLY 42 128.938 8.659 -5.420 330 H ARG 43 HN ARG 43 129.481 11.017 -5.862 331 HA ARG 43 HA ARG 43 131.606 12.235 -4.274 332 1HB ARG 43 HB2 ARG 43 129.587 13.114 -6.236 333 2HB ARG 43 HB1 ARG 43 129.906 14.296 -4.966 334 1HG ARG 43 HG2 ARG 43 132.196 12.934 -6.365 335 2HG ARG 43 HG1 ARG 43 131.398 14.318 -7.114 336 1HD ARG 43 HD2 ARG 43 132.684 14.255 -4.368 337 2HD ARG 43 HD1 ARG 43 133.294 15.101 -5.789 338 HE ARG 43 HE ARG 43 131.159 16.020 -4.040 339 1HH1 ARG 43 HH11 ARG 43 132.429 16.118 -7.298 340 2HH1 ARG 43 HH12 ARG 43 131.672 17.632 -7.653 341 1HH2 ARG 43 HH21 ARG 43 130.197 17.975 -4.543 342 2HH2 ARG 43 HH22 ARG 43 130.422 18.673 -6.112 343 H ARG 44 HN ARG 44 128.125 11.730 -3.947 344 HA ARG 44 HA ARG 44 127.721 13.437 -1.680 345 1HB ARG 44 HB2 ARG 44 126.253 11.170 -2.953 346 2HB ARG 44 HB1 ARG 44 125.811 11.601 -1.301 347 1HG ARG 44 HG2 ARG 44 126.073 13.729 -3.417 348 2HG ARG 44 HG1 ARG 44 124.583 12.800 -3.260 349 1HD ARG 44 HD2 ARG 44 124.020 14.393 -1.736 350 2HD ARG 44 HD1 ARG 44 125.058 13.471 -0.650 351 HE ARG 44 HE ARG 44 126.806 15.193 -1.938 352 1HH1 ARG 44 HH21 ARG 44 123.852 15.589 -0.108 353 2HH1 ARG 44 HH22 ARG 44 124.302 17.155 0.470 354 1HH2 ARG 44 HH11 ARG 44 127.347 17.222 -1.166 355 2HH2 ARG 44 HH12 ARG 44 126.259 18.071 -0.120 356 H THR 45 HN THR 45 128.951 10.165 -2.024 357 HA THR 45 HA THR 45 128.913 9.745 0.907 358 HB THR 45 HB THR 45 130.108 7.888 -1.155 359 HG1 THR 45 HG1 THR 45 128.117 8.008 -1.920 360 1HG2 THR 45 HG21 THR 45 128.863 7.514 1.582 361 2HG2 THR 45 HG23 THR 45 129.395 6.194 0.539 362 3HG2 THR 45 HG22 THR 45 130.570 7.347 1.172 363 H TYR 46 HN TYR 46 131.153 10.422 -1.721 364 HA TYR 46 HA TYR 46 133.587 9.913 -0.295 365 1HB TYR 46 HB2 TYR 46 133.330 10.272 -2.800 366 2HB TYR 46 HB1 TYR 46 133.193 11.997 -2.456 367 HD1 TYR 46 HD2 TYR 46 135.386 9.087 -1.537 368 HD2 TYR 46 HD1 TYR 46 135.143 13.263 -2.513 369 HE1 TYR 46 HE2 TYR 46 137.857 9.261 -1.409 370 HE2 TYR 46 HE1 TYR 46 137.614 13.437 -2.387 371 HH TYR 46 HH TYR 46 139.638 11.032 -2.597 372 H GLU 47 HN GLU 47 131.422 12.690 -0.437 373 HA GLU 47 HA GLU 47 133.276 14.401 1.070 374 1HB GLU 47 HB2 GLU 47 130.480 14.740 -0.004 375 2HB GLU 47 HB1 GLU 47 131.183 15.922 1.101 376 1HG GLU 47 HG2 GLU 47 133.218 15.874 -0.536 377 2HG GLU 47 HG1 GLU 47 132.065 15.183 -1.678 378 H SER 48 HN SER 48 131.404 11.836 2.017 379 HA SER 48 HA SER 48 130.483 13.116 4.536 380 1HB SER 48 HB2 SER 48 129.950 10.375 3.360 381 2HB SER 48 HB1 SER 48 129.323 10.930 4.909 382 HG SER 48 HG SER 48 128.639 11.666 2.312 383 H PHE 49 HN PHE 49 133.359 12.462 3.854 384 HA PHE 49 HA PHE 49 133.893 10.538 6.081 385 1HB PHE 49 HB2 PHE 49 135.583 11.261 3.670 386 2HB PHE 49 HB1 PHE 49 136.120 10.214 4.984 387 HD1 PHE 49 HD1 PHE 49 134.081 8.435 5.639 388 HD2 PHE 49 HD2 PHE 49 134.926 10.093 1.769 389 HE1 PHE 49 HE1 PHE 49 132.951 6.505 4.566 390 HE2 PHE 49 HE2 PHE 49 133.797 8.164 0.696 391 HZ PHE 49 HZ PHE 49 132.809 6.370 2.094 392 HA PRO 50 HA PRO 50 135.998 13.818 8.237 393 1HB PRO 50 HB2 PRO 50 137.831 12.260 9.650 394 2HB PRO 50 HB1 PRO 50 136.153 12.558 10.125 395 1HG PRO 50 HG2 PRO 50 137.344 10.099 9.245 396 2HG PRO 50 HG1 PRO 50 135.682 10.388 9.783 397 1HD PRO 50 HD2 PRO 50 136.705 10.079 7.063 398 2HD PRO 50 HD1 PRO 50 135.031 10.049 7.640 399 H LYS 51 HN LYS 51 138.486 11.359 7.449 400 HA LYS 51 HA LYS 51 140.221 13.582 6.456 401 1HB LYS 51 HB2 LYS 51 140.955 12.028 8.405 402 2HB LYS 51 HB1 LYS 51 141.189 10.810 7.148 403 1HG LYS 51 HG2 LYS 51 142.343 13.495 6.601 404 2HG LYS 51 HG1 LYS 51 143.125 12.556 7.874 405 1HD LYS 51 HD2 LYS 51 142.467 11.246 5.249 406 2HD LYS 51 HD1 LYS 51 143.912 12.248 5.391 407 1HE LYS 51 HE2 LYS 51 144.168 10.758 7.637 408 2HE LYS 51 HE1 LYS 51 143.317 9.607 6.607 409 1HZ LYS 51 HZ1 LYS 51 145.018 10.168 4.863 410 2HZ LYS 51 HZ3 LYS 51 145.896 10.961 6.078 411 3HZ LYS 51 HZ2 LYS 51 145.595 9.293 6.200 412 H ARG 52 HN ARG 52 139.598 13.661 4.286 413 HA ARG 52 HA ARG 52 139.531 11.137 2.738 414 1HB ARG 52 HB2 ARG 52 138.904 13.993 1.930 415 2HB ARG 52 HB1 ARG 52 138.704 12.581 0.893 416 1HG ARG 52 HG2 ARG 52 137.057 11.636 2.393 417 2HG ARG 52 HG1 ARG 52 137.345 12.907 3.582 418 1HD ARG 52 HD2 ARG 52 136.150 13.238 0.817 419 2HD ARG 52 HD1 ARG 52 135.331 13.472 2.361 420 HE ARG 52 HE ARG 52 137.104 15.381 1.052 421 1HH1 ARG 52 HH11 ARG 52 135.813 14.290 4.114 422 2HH1 ARG 52 HH12 ARG 52 136.071 15.819 4.881 423 1HH2 ARG 52 HH21 ARG 52 137.423 17.338 2.083 424 2HH2 ARG 52 HH22 ARG 52 136.974 17.527 3.746 425 HA PRO 53 HA PRO 53 139.823 10.324 0.819 426 1HB PRO 53 HB2 PRO 53 141.734 8.627 -0.309 427 2HB PRO 53 HB1 PRO 53 140.785 9.836 -1.184 428 1HG PRO 53 HG2 PRO 53 143.600 9.838 -0.664 429 2HG PRO 53 HG1 PRO 53 142.648 11.035 -1.554 430 1HD PRO 53 HD2 PRO 53 143.687 11.165 1.184 431 2HD PRO 53 HD1 PRO 53 143.072 12.469 0.155 432 H LEU 54 HN LEU 54 139.974 7.781 1.167 433 HA LEU 54 HA LEU 54 140.960 7.396 3.928 434 1HB LEU 54 HB2 LEU 54 139.219 5.688 2.130 435 2HB LEU 54 HB1 LEU 54 139.672 5.247 3.777 436 HG LEU 54 HG LEU 54 138.222 7.803 3.028 437 1HD1 LEU 54 HD13 LEU 54 137.196 5.205 4.210 438 2HD1 LEU 54 HD12 LEU 54 136.259 6.695 4.097 439 3HD1 LEU 54 HD11 LEU 54 136.784 5.869 2.630 440 1HD2 LEU 54 HD23 LEU 54 139.099 6.527 5.622 441 2HD2 LEU 54 HD22 LEU 54 139.375 8.178 5.065 442 3HD2 LEU 54 HD21 LEU 54 137.763 7.678 5.577 443 HA PRO 55 HA PRO 55 144.505 5.222 2.103 444 1HB PRO 55 HB2 PRO 55 145.824 4.983 4.563 445 2HB PRO 55 HB1 PRO 55 146.022 6.301 3.401 446 1HG PRO 55 HG2 PRO 55 144.822 6.397 5.999 447 2HG PRO 55 HG1 PRO 55 145.055 7.719 4.847 448 1HD PRO 55 HD2 PRO 55 142.619 6.234 5.471 449 2HD PRO 55 HD1 PRO 55 142.809 7.745 4.566 450 H GLU 56 HN GLU 56 145.787 3.164 2.962 451 HA GLU 56 HA GLU 56 145.688 0.882 3.484 452 1HB GLU 56 HB2 GLU 56 144.984 2.037 5.745 453 2HB GLU 56 HB1 GLU 56 143.388 1.401 5.344 454 1HG GLU 56 HG2 GLU 56 144.097 -0.823 5.461 455 2HG GLU 56 HG1 GLU 56 145.788 -0.401 5.190 456 H ARG 57 HN ARG 57 143.982 2.027 1.351 457 HA ARG 57 HA ARG 57 142.491 -0.309 0.669 458 1HB ARG 57 HB2 ARG 57 140.184 0.637 0.846 459 2HB ARG 57 HB1 ARG 57 140.939 0.385 2.419 460 1HG ARG 57 HG2 ARG 57 141.733 2.861 2.157 461 2HG ARG 57 HG1 ARG 57 140.447 2.968 0.956 462 1HD ARG 57 HD2 ARG 57 139.238 3.536 2.838 463 2HD ARG 57 HD1 ARG 57 139.044 1.783 2.895 464 HE ARG 57 HE ARG 57 141.413 2.704 4.321 465 1HH1 ARG 57 HH21 ARG 57 137.964 2.157 4.535 466 2HH1 ARG 57 HH22 ARG 57 137.998 1.982 6.256 467 1HH2 ARG 57 HH11 ARG 57 141.409 2.471 6.546 468 2HH2 ARG 57 HH12 ARG 57 139.926 2.156 7.383 469 H THR 58 HN THR 58 141.574 -0.123 -1.453 470 HA THR 58 HA THR 58 142.775 2.006 -3.059 471 HB THR 58 HB THR 58 140.815 -0.108 -3.985 472 HG1 THR 58 HG1 THR 58 142.350 -1.522 -3.805 473 1HG2 THR 58 HG21 THR 58 142.941 1.583 -5.311 474 2HG2 THR 58 HG23 THR 58 142.242 0.159 -6.083 475 3HG2 THR 58 HG22 THR 58 141.215 1.533 -5.671 476 H ASN 59 HN ASN 59 141.796 3.956 -3.229 477 HA ASN 59 HA ASN 59 138.922 4.248 -2.685 478 1HB ASN 59 HB2 ASN 59 140.857 6.387 -3.610 479 2HB ASN 59 HB1 ASN 59 139.322 6.618 -2.776 480 1HD2 ASN 59 HD22 ASN 59 140.952 4.973 0.240 481 2HD2 ASN 59 HD21 ASN 59 139.736 4.448 -0.820 482 H VAL 60 HN VAL 60 137.357 4.721 -4.215 483 HA VAL 60 HA VAL 60 138.200 5.140 -7.034 484 HB VAL 60 HB VAL 60 136.177 3.035 -6.207 485 1HG1 VAL 60 HG13 VAL 60 136.027 4.292 -8.476 486 2HG1 VAL 60 HG12 VAL 60 137.478 3.386 -8.905 487 3HG1 VAL 60 HG11 VAL 60 135.990 2.529 -8.502 488 1HG2 VAL 60 HG21 VAL 60 139.108 2.906 -6.872 489 2HG2 VAL 60 HG23 VAL 60 138.218 2.056 -5.608 490 3HG2 VAL 60 HG22 VAL 60 138.057 1.553 -7.291 491 H VAL 61 HN VAL 61 137.340 7.238 -6.992 492 HA VAL 61 HA VAL 61 134.573 7.660 -6.060 493 HB VAL 61 HB VAL 61 136.473 9.624 -7.376 494 1HG1 VAL 61 HG11 VAL 61 134.070 10.255 -7.373 495 2HG1 VAL 61 HG13 VAL 61 134.028 10.030 -5.625 496 3HG1 VAL 61 HG12 VAL 61 135.025 11.304 -6.327 497 1HG2 VAL 61 HG21 VAL 61 136.026 8.889 -4.469 498 2HG2 VAL 61 HG23 VAL 61 137.538 8.806 -5.373 499 3HG2 VAL 61 HG22 VAL 61 136.832 10.373 -4.977 500 H LEU 62 HN LEU 62 132.823 7.899 -7.408 501 HA LEU 62 HA LEU 62 133.348 7.705 -10.349 502 1HB LEU 62 HB2 LEU 62 132.244 5.701 -9.306 503 2HB LEU 62 HB1 LEU 62 130.895 6.743 -8.848 504 HG LEU 62 HG LEU 62 130.730 7.386 -11.314 505 1HD1 LEU 62 HD13 LEU 62 132.742 5.142 -11.419 506 2HD1 LEU 62 HD12 LEU 62 131.675 5.463 -12.786 507 3HD1 LEU 62 HD11 LEU 62 132.794 6.708 -12.231 508 1HD2 LEU 62 HD21 LEU 62 130.168 4.631 -10.227 509 2HD2 LEU 62 HD23 LEU 62 129.036 5.947 -10.541 510 3HD2 LEU 62 HD22 LEU 62 129.731 5.042 -11.886 511 H THR 63 HN THR 63 133.024 9.716 -11.189 512 HA THR 63 HA THR 63 130.485 11.111 -10.492 513 HB THR 63 HB THR 63 132.194 12.227 -9.167 514 HG1 THR 63 HG1 THR 63 131.850 14.241 -9.944 515 1HG2 THR 63 HG21 THR 63 134.113 11.401 -10.566 516 2HG2 THR 63 HG23 THR 63 133.707 12.636 -11.757 517 3HG2 THR 63 HG22 THR 63 134.225 13.108 -10.138 518 H HIS 64 HN HIS 64 129.845 12.682 -12.171 519 HA HIS 64 HA HIS 64 130.619 11.717 -14.855 520 1HB HIS 64 HB2 HIS 64 128.390 13.442 -13.787 521 2HB HIS 64 HB1 HIS 64 128.735 13.377 -15.516 522 HD1 HIS 64 HD1 HIS 64 126.326 12.016 -13.576 523 HD2 HIS 64 HD2 HIS 64 129.284 10.157 -15.849 524 HE1 HIS 64 HE1 HIS 64 125.506 9.664 -14.033 525 H GLN 65 HN GLN 65 131.338 14.365 -12.756 526 HA GLN 65 HA GLN 65 132.087 16.172 -14.967 527 1HB GLN 65 HB2 GLN 65 131.089 16.846 -12.647 528 2HB GLN 65 HB1 GLN 65 132.741 16.638 -12.064 529 1HG GLN 65 HG2 GLN 65 133.497 18.185 -13.911 530 2HG GLN 65 HG1 GLN 65 131.797 18.510 -14.251 531 1HE2 GLN 65 HE22 GLN 65 133.264 19.773 -10.611 532 2HE2 GLN 65 HE21 GLN 65 133.893 18.356 -11.303 533 H GLU 66 HN GLU 66 134.170 16.451 -15.681 534 HA GLU 66 HA GLU 66 136.240 14.662 -14.515 535 1HB GLU 66 HB2 GLU 66 136.285 16.249 -17.101 536 2HB GLU 66 HB1 GLU 66 137.459 15.030 -16.603 537 1HG GLU 66 HG2 GLU 66 135.738 13.300 -16.637 538 2HG GLU 66 HG1 GLU 66 134.503 14.501 -17.021 539 H ASP 67 HN ASP 67 135.404 17.209 -13.246 540 HA ASP 67 HA ASP 67 137.928 18.785 -13.535 541 1HB ASP 67 HB2 ASP 67 135.621 19.888 -13.897 542 2HB ASP 67 HB1 ASP 67 135.417 19.733 -12.151 543 H TYR 68 HN TYR 68 135.927 16.954 -11.322 544 HA TYR 68 HA TYR 68 136.989 17.843 -8.839 545 1HB TYR 68 HB2 TYR 68 135.028 16.203 -9.349 546 2HB TYR 68 HB1 TYR 68 136.280 14.961 -9.357 547 HD1 TYR 68 HD1 TYR 68 135.020 17.825 -7.295 548 HD2 TYR 68 HD2 TYR 68 136.965 13.996 -7.337 549 HE1 TYR 68 HE1 TYR 68 134.994 17.784 -4.814 550 HE2 TYR 68 HE2 TYR 68 136.939 13.954 -4.858 551 HH TYR 68 HH TYR 68 136.826 15.590 -2.995 552 H GLN 69 HN GLN 69 139.034 17.693 -8.069 553 HA GLN 69 HA GLN 69 140.863 15.677 -9.301 554 1HB GLN 69 HB2 GLN 69 141.509 18.242 -7.813 555 2HB GLN 69 HB1 GLN 69 142.695 17.146 -8.525 556 1HG GLN 69 HG2 GLN 69 140.506 18.122 -10.300 557 2HG GLN 69 HG1 GLN 69 141.762 19.280 -9.856 558 1HE2 GLN 69 HE22 GLN 69 144.345 17.560 -11.647 559 2HE2 GLN 69 HE21 GLN 69 144.055 18.631 -10.362 560 H ALA 70 HN ALA 70 141.881 14.189 -7.987 561 HA ALA 70 HA ALA 70 141.580 14.473 -5.037 562 1HB ALA 70 HB3 ALA 70 139.776 12.969 -6.136 563 2HB ALA 70 HB2 ALA 70 141.093 11.827 -6.403 564 3HB ALA 70 HB1 ALA 70 140.666 12.312 -4.762 565 H GLN 71 HN GLN 71 143.604 14.338 -4.220 566 HA GLN 71 HA GLN 71 145.722 12.963 -5.757 567 1HB GLN 71 HB2 GLN 71 145.651 14.855 -3.427 568 2HB GLN 71 HB1 GLN 71 147.081 13.851 -3.672 569 1HG GLN 71 HG2 GLN 71 147.551 15.822 -4.893 570 2HG GLN 71 HG1 GLN 71 147.006 14.678 -6.120 571 1HE2 GLN 71 HE22 GLN 71 144.542 17.802 -5.081 572 2HE2 GLN 71 HE21 GLN 71 145.759 17.312 -4.005 573 H GLY 72 HN GLY 72 145.948 10.810 -5.413 574 1HA GLY 72 HA2 GLY 72 146.722 9.051 -3.881 575 2HA GLY 72 HA1 GLY 72 145.777 9.814 -2.603 576 H ALA 73 HN ALA 73 143.471 10.243 -4.453 577 HA ALA 73 HA ALA 73 142.378 7.483 -4.273 578 1HB ALA 73 HB3 ALA 73 141.096 10.213 -4.492 579 2HB ALA 73 HB2 ALA 73 140.172 8.723 -4.687 580 3HB ALA 73 HB1 ALA 73 140.983 9.065 -3.158 581 H VAL 74 HN VAL 74 141.187 6.597 -6.084 582 HA VAL 74 HA VAL 74 142.261 7.517 -8.694 583 HB VAL 74 HB VAL 74 140.680 5.011 -8.047 584 1HG1 VAL 74 HG12 VAL 74 142.299 5.931 -10.435 585 2HG1 VAL 74 HG11 VAL 74 141.823 4.251 -10.189 586 3HG1 VAL 74 HG13 VAL 74 140.591 5.494 -10.397 587 1HG2 VAL 74 HG23 VAL 74 142.872 5.225 -6.811 588 2HG2 VAL 74 HG22 VAL 74 142.806 3.860 -7.927 589 3HG2 VAL 74 HG21 VAL 74 143.679 5.326 -8.377 590 H VAL 75 HN VAL 75 141.000 8.842 -9.892 591 HA VAL 75 HA VAL 75 138.066 8.876 -9.398 592 HB VAL 75 HB VAL 75 139.751 10.799 -11.030 593 1HG1 VAL 75 HG11 VAL 75 137.328 10.752 -11.563 594 2HG1 VAL 75 HG13 VAL 75 136.961 11.034 -9.861 595 3HG1 VAL 75 HG12 VAL 75 137.797 12.271 -10.799 596 1HG2 VAL 75 HG22 VAL 75 138.883 10.830 -8.128 597 2HG2 VAL 75 HG21 VAL 75 140.526 10.937 -8.762 598 3HG2 VAL 75 HG23 VAL 75 139.405 12.281 -8.984 599 H VAL 76 HN VAL 76 136.671 8.073 -10.903 600 HA VAL 76 HA VAL 76 137.772 7.423 -13.610 601 HB VAL 76 HB VAL 76 136.188 5.478 -13.604 602 1HG1 VAL 76 HG11 VAL 76 138.669 5.474 -12.798 603 2HG1 VAL 76 HG13 VAL 76 137.975 5.284 -11.187 604 3HG1 VAL 76 HG12 VAL 76 137.661 4.073 -12.431 605 1HG2 VAL 76 HG22 VAL 76 134.740 6.563 -11.777 606 2HG2 VAL 76 HG21 VAL 76 135.049 4.836 -11.609 607 3HG2 VAL 76 HG23 VAL 76 135.953 5.993 -10.631 608 H HIS 77 HN HIS 77 135.890 7.130 -15.231 609 HA HIS 77 HA HIS 77 133.514 8.778 -14.618 610 1HB HIS 77 HB2 HIS 77 135.372 9.451 -16.921 611 2HB HIS 77 HB1 HIS 77 133.867 10.276 -16.516 612 HD1 HIS 77 HD1 HIS 77 133.868 11.260 -13.907 613 HD2 HIS 77 HD2 HIS 77 137.563 10.632 -15.732 614 HE1 HIS 77 HE1 HIS 77 135.556 12.617 -12.594 615 H ASP 78 HN ASP 78 133.983 5.960 -15.242 616 HA ASP 78 HA ASP 78 132.011 5.679 -17.382 617 1HB ASP 78 HB2 ASP 78 134.909 5.018 -17.805 618 2HB ASP 78 HB1 ASP 78 133.678 4.005 -18.561 619 H VAL 79 HN VAL 79 130.795 3.894 -16.942 620 HA VAL 79 HA VAL 79 131.241 2.327 -14.595 621 HB VAL 79 HB VAL 79 129.530 1.597 -16.991 622 1HG1 VAL 79 HG11 VAL 79 129.996 -0.133 -15.167 623 2HG1 VAL 79 HG13 VAL 79 129.124 0.933 -14.066 624 3HG1 VAL 79 HG12 VAL 79 128.297 0.237 -15.461 625 1HG2 VAL 79 HG23 VAL 79 129.033 3.414 -14.621 626 2HG2 VAL 79 HG22 VAL 79 128.875 3.804 -16.333 627 3HG2 VAL 79 HG21 VAL 79 127.720 2.713 -15.568 628 H ALA 80 HN ALA 80 131.844 1.649 -18.037 629 HA ALA 80 HA ALA 80 132.742 -1.050 -17.676 630 1HB ALA 80 HB1 ALA 80 132.119 0.157 -19.869 631 2HB ALA 80 HB3 ALA 80 133.756 0.813 -19.827 632 3HB ALA 80 HB2 ALA 80 133.507 -0.931 -19.920 633 H ALA 81 HN ALA 81 134.356 2.074 -17.437 634 HA ALA 81 HA ALA 81 137.055 1.116 -17.399 635 1HB ALA 81 HB1 ALA 81 135.708 3.585 -16.304 636 2HB ALA 81 HB3 ALA 81 137.427 3.291 -16.048 637 3HB ALA 81 HB2 ALA 81 136.794 3.452 -17.686 638 H VAL 82 HN VAL 82 134.648 1.590 -14.828 639 HA VAL 82 HA VAL 82 136.372 1.001 -12.624 640 HB VAL 82 HB VAL 82 133.400 0.438 -12.831 641 1HG1 VAL 82 HG12 VAL 82 135.250 0.976 -10.488 642 2HG1 VAL 82 HG11 VAL 82 133.495 0.843 -10.371 643 3HG1 VAL 82 HG13 VAL 82 134.455 -0.553 -10.861 644 1HG2 VAL 82 HG23 VAL 82 134.979 2.961 -12.486 645 2HG2 VAL 82 HG22 VAL 82 133.460 2.701 -13.345 646 3HG2 VAL 82 HG21 VAL 82 133.475 2.786 -11.583 647 H PHE 83 HN PHE 83 134.474 -1.065 -14.782 648 HA PHE 83 HA PHE 83 134.909 -3.508 -13.301 649 1HB PHE 83 HB2 PHE 83 133.861 -2.761 -15.984 650 2HB PHE 83 HB1 PHE 83 134.487 -4.401 -15.818 651 HD1 PHE 83 HD2 PHE 83 132.495 -2.027 -13.690 652 HD2 PHE 83 HD1 PHE 83 132.874 -5.991 -15.301 653 HE1 PHE 83 HE2 PHE 83 130.418 -2.703 -12.517 654 HE2 PHE 83 HE1 PHE 83 130.796 -6.667 -14.128 655 HZ PHE 83 HZ PHE 83 129.568 -5.023 -12.736 656 H ALA 84 HN ALA 84 136.619 -1.890 -15.954 657 HA ALA 84 HA ALA 84 138.470 -3.986 -16.538 658 1HB ALA 84 HB3 ALA 84 138.010 -1.751 -17.801 659 2HB ALA 84 HB2 ALA 84 139.208 -1.069 -16.701 660 3HB ALA 84 HB1 ALA 84 139.657 -2.385 -17.787 661 H TYR 85 HN TYR 85 138.506 -1.397 -14.123 662 HA TYR 85 HA TYR 85 141.214 -1.921 -13.228 663 1HB TYR 85 HB2 TYR 85 139.863 0.229 -12.879 664 2HB TYR 85 HB1 TYR 85 139.016 -0.635 -11.595 665 HD1 TYR 85 HD2 TYR 85 140.292 -1.522 -9.630 666 HD2 TYR 85 HD1 TYR 85 142.107 1.016 -12.583 667 HE1 TYR 85 HE2 TYR 85 142.167 -1.053 -8.076 668 HE2 TYR 85 HE1 TYR 85 143.982 1.484 -11.028 669 HH TYR 85 HH TYR 85 145.010 0.033 -8.902 670 H ALA 86 HN ALA 86 138.023 -3.139 -12.385 671 HA ALA 86 HA ALA 86 138.888 -4.486 -9.956 672 1HB ALA 86 HB2 ALA 86 136.482 -3.783 -10.661 673 2HB ALA 86 HB1 ALA 86 136.481 -5.286 -11.584 674 3HB ALA 86 HB3 ALA 86 136.691 -5.325 -9.834 675 H LYS 87 HN LYS 87 138.280 -5.507 -13.318 676 HA LYS 87 HA LYS 87 138.842 -8.283 -12.926 677 1HB LYS 87 HB2 LYS 87 137.846 -6.997 -14.995 678 2HB LYS 87 HB1 LYS 87 139.534 -6.881 -15.492 679 1HG LYS 87 HG2 LYS 87 139.404 -9.510 -14.781 680 2HG LYS 87 HG1 LYS 87 137.761 -9.250 -15.366 681 1HD LYS 87 HD2 LYS 87 140.259 -8.493 -16.908 682 2HD LYS 87 HD1 LYS 87 139.344 -9.979 -17.167 683 1HE LYS 87 HE2 LYS 87 137.337 -8.662 -17.713 684 2HE LYS 87 HE1 LYS 87 138.235 -7.169 -17.436 685 1HZ LYS 87 HZ1 LYS 87 139.826 -8.011 -19.176 686 2HZ LYS 87 HZ3 LYS 87 138.668 -9.190 -19.556 687 3HZ LYS 87 HZ2 LYS 87 138.293 -7.542 -19.738 688 H GLN 88 HN GLN 88 140.932 -5.544 -13.819 689 HA GLN 88 HA GLN 88 143.326 -7.039 -14.232 690 1HB GLN 88 HB2 GLN 88 142.751 -4.183 -13.469 691 2HB GLN 88 HB1 GLN 88 144.412 -4.776 -13.524 692 1HG GLN 88 HG2 GLN 88 144.028 -5.544 -15.863 693 2HG GLN 88 HG1 GLN 88 142.408 -4.846 -15.801 694 1HE2 GLN 88 HE22 GLN 88 145.592 -2.229 -15.689 695 2HE2 GLN 88 HE21 GLN 88 145.759 -3.757 -14.968 696 H HIS 89 HN HIS 89 141.675 -6.072 -11.308 697 HA HIS 89 HA HIS 89 143.999 -7.045 -9.695 698 1HB HIS 89 HB2 HIS 89 141.697 -5.256 -8.854 699 2HB HIS 89 HB1 HIS 89 143.048 -5.748 -7.832 700 HD1 HIS 89 HD1 HIS 89 144.504 -3.733 -7.592 701 HD2 HIS 89 HD2 HIS 89 143.197 -4.224 -11.518 702 HE1 HIS 89 HE1 HIS 89 145.657 -1.940 -8.960 703 HA PRO 90 HA PRO 90 140.889 -10.374 -9.106 704 1HB PRO 90 HB2 PRO 90 142.884 -12.305 -8.706 705 2HB PRO 90 HB1 PRO 90 142.039 -11.979 -10.224 706 1HG PRO 90 HG2 PRO 90 144.785 -11.487 -9.586 707 2HG PRO 90 HG1 PRO 90 143.943 -11.194 -11.113 708 1HD PRO 90 HD2 PRO 90 144.731 -9.279 -9.061 709 2HD PRO 90 HD1 PRO 90 144.159 -8.979 -10.708 710 H ASP 91 HN ASP 91 143.828 -9.699 -7.238 711 HA ASP 91 HA ASP 91 143.116 -11.156 -4.881 712 1HB ASP 91 HB2 ASP 91 144.879 -8.738 -5.336 713 2HB ASP 91 HB1 ASP 91 144.687 -9.486 -3.749 714 H GLN 92 HN GLN 92 142.335 -7.894 -6.001 715 HA GLN 92 HA GLN 92 140.783 -7.394 -3.513 716 1HB GLN 92 HB2 GLN 92 141.620 -5.618 -5.819 717 2HB GLN 92 HB1 GLN 92 140.501 -5.088 -4.562 718 1HG GLN 92 HG2 GLN 92 142.130 -5.087 -2.915 719 2HG GLN 92 HG1 GLN 92 143.095 -6.323 -3.724 720 1HE2 GLN 92 HE22 GLN 92 144.445 -2.717 -4.150 721 2HE2 GLN 92 HE21 GLN 92 143.729 -3.426 -2.785 722 H GLU 93 HN GLU 93 138.545 -6.578 -3.755 723 HA GLU 93 HA GLU 93 137.215 -7.615 -6.228 724 1HB GLU 93 HB2 GLU 93 136.205 -7.766 -3.370 725 2HB GLU 93 HB1 GLU 93 135.310 -8.292 -4.797 726 1HG GLU 93 HG2 GLU 93 136.757 -10.091 -5.203 727 2HG GLU 93 HG1 GLU 93 138.065 -9.376 -4.260 728 H LEU 94 HN LEU 94 135.115 -6.536 -6.674 729 HA LEU 94 HA LEU 94 135.324 -3.649 -6.211 730 1HB LEU 94 HB2 LEU 94 134.542 -4.881 -8.375 731 2HB LEU 94 HB1 LEU 94 132.990 -5.001 -7.546 732 HG LEU 94 HG LEU 94 133.243 -2.464 -7.116 733 1HD1 LEU 94 HD11 LEU 94 135.710 -2.625 -7.926 734 2HD1 LEU 94 HD13 LEU 94 135.019 -2.600 -9.548 735 3HD1 LEU 94 HD12 LEU 94 134.750 -1.244 -8.454 736 1HD2 LEU 94 HD23 LEU 94 131.632 -3.475 -8.712 737 2HD2 LEU 94 HD22 LEU 94 132.272 -1.945 -9.317 738 3HD2 LEU 94 HD21 LEU 94 132.882 -3.472 -9.957 739 H VAL 95 HN VAL 95 134.364 -2.630 -4.532 740 HA VAL 95 HA VAL 95 132.040 -3.977 -3.209 741 HB VAL 95 HB VAL 95 134.062 -2.117 -1.922 742 1HG1 VAL 95 HG11 VAL 95 131.768 -2.198 -0.917 743 2HG1 VAL 95 HG13 VAL 95 131.963 -3.938 -0.704 744 3HG1 VAL 95 HG12 VAL 95 133.017 -2.820 0.162 745 1HG2 VAL 95 HG21 VAL 95 133.884 -5.124 -2.106 746 2HG2 VAL 95 HG23 VAL 95 135.286 -4.086 -2.373 747 3HG2 VAL 95 HG22 VAL 95 134.678 -4.347 -0.737 748 H ILE 96 HN ILE 96 130.178 -2.827 -3.299 749 HA ILE 96 HA ILE 96 130.329 0.035 -4.110 750 HB ILE 96 HB ILE 96 127.901 -1.778 -4.053 751 1HG1 ILE 96 HG12 ILE 96 129.605 -2.689 -5.588 752 2HG1 ILE 96 HG11 ILE 96 128.248 -2.021 -6.493 753 1HG2 ILE 96 HG21 ILE 96 127.506 0.689 -4.036 754 2HG2 ILE 96 HG23 ILE 96 128.428 0.816 -5.533 755 3HG2 ILE 96 HG22 ILE 96 126.915 -0.089 -5.504 756 1HD1 ILE 96 HD13 ILE 96 129.556 0.099 -6.787 757 2HD1 ILE 96 HD12 ILE 96 130.929 -0.686 -6.008 758 3HD1 ILE 96 HD11 ILE 96 130.320 -1.297 -7.546 759 H ALA 97 HN ALA 97 130.195 1.452 -2.452 760 HA ALA 97 HA ALA 97 128.781 0.636 0.036 761 1HB ALA 97 HB1 ALA 97 131.204 1.737 -0.171 762 2HB ALA 97 HB3 ALA 97 130.259 3.226 -0.185 763 3HB ALA 97 HB2 ALA 97 130.137 2.117 1.181 764 H GLY 98 HN GLY 98 128.624 2.904 -2.633 765 1HA GLY 98 HA2 GLY 98 126.031 3.510 -2.796 766 2HA GLY 98 HA1 GLY 98 126.430 4.419 -1.338 767 H GLY 99 HN GLY 99 126.960 6.981 -3.864 768 1HA GLY 99 HA2 GLY 99 125.265 6.015 -1.693 769 2HA GLY 99 HA1 GLY 99 124.937 7.408 -2.726 770 H ALA 100 HN ALA 100 122.726 6.687 -2.960 771 HA ALA 100 HA ALA 100 121.979 4.110 -3.949 772 1HB ALA 100 HB2 ALA 100 120.507 6.008 -2.935 773 2HB ALA 100 HB1 ALA 100 120.433 6.615 -4.589 774 3HB ALA 100 HB3 ALA 100 119.820 5.005 -4.212 775 H GLN 101 HN GLN 101 122.996 7.074 -5.568 776 HA GLN 101 HA GLN 101 122.225 6.354 -8.227 777 1HB GLN 101 HB2 GLN 101 122.992 8.640 -7.455 778 2HB GLN 101 HB1 GLN 101 124.639 8.010 -7.447 779 1HG GLN 101 HG2 GLN 101 124.156 7.278 -9.883 780 2HG GLN 101 HG1 GLN 101 122.788 8.389 -9.796 781 1HE2 GLN 101 HE22 GLN 101 124.962 11.007 -10.710 782 2HE2 GLN 101 HE21 GLN 101 123.520 10.167 -11.023 783 H ILE 102 HN ILE 102 125.069 5.580 -6.281 784 HA ILE 102 HA ILE 102 126.514 4.343 -8.491 785 HB ILE 102 HB ILE 102 126.942 4.008 -5.508 786 1HG1 ILE 102 HG12 ILE 102 126.978 6.393 -6.158 787 2HG1 ILE 102 HG11 ILE 102 128.595 5.831 -5.738 788 1HG2 ILE 102 HG23 ILE 102 128.777 3.616 -7.891 789 2HG2 ILE 102 HG22 ILE 102 129.260 3.472 -6.202 790 3HG2 ILE 102 HG21 ILE 102 128.098 2.337 -6.887 791 1HD1 ILE 102 HD12 ILE 102 129.040 5.465 -8.182 792 2HD1 ILE 102 HD11 ILE 102 127.474 6.196 -8.533 793 3HD1 ILE 102 HD13 ILE 102 128.744 7.154 -7.771 794 H PHE 103 HN PHE 103 124.400 3.240 -5.877 795 HA PHE 103 HA PHE 103 124.818 0.428 -6.228 796 1HB PHE 103 HB2 PHE 103 122.538 2.062 -5.111 797 2HB PHE 103 HB1 PHE 103 122.446 0.305 -5.209 798 HD1 PHE 103 HD1 PHE 103 125.059 -0.668 -4.548 799 HD2 PHE 103 HD2 PHE 103 122.978 2.717 -2.917 800 HE1 PHE 103 HE1 PHE 103 126.384 -0.859 -2.462 801 HE2 PHE 103 HE2 PHE 103 124.308 2.529 -0.833 802 HZ PHE 103 HZ PHE 103 126.010 0.739 -0.605 803 H THR 104 HN THR 104 122.670 2.746 -7.810 804 HA THR 104 HA THR 104 121.118 0.789 -9.254 805 HB THR 104 HB THR 104 121.619 3.581 -10.264 806 HG1 THR 104 HG1 THR 104 119.950 4.196 -8.761 807 1HG2 THR 104 HG22 THR 104 120.151 2.015 -11.520 808 2HG2 THR 104 HG21 THR 104 119.136 1.852 -10.088 809 3HG2 THR 104 HG23 THR 104 119.267 3.410 -10.904 810 H ALA 105 HN ALA 105 124.171 2.428 -9.852 811 HA ALA 105 HA ALA 105 124.385 1.759 -12.646 812 1HB ALA 105 HB2 ALA 105 126.465 2.415 -10.542 813 2HB ALA 105 HB1 ALA 105 126.855 2.167 -12.244 814 3HB ALA 105 HB3 ALA 105 125.802 3.498 -11.767 815 H PHE 106 HN PHE 106 125.467 0.152 -9.663 816 HA PHE 106 HA PHE 106 126.333 -2.190 -11.296 817 1HB PHE 106 HB2 PHE 106 126.850 -1.579 -8.368 818 2HB PHE 106 HB1 PHE 106 127.543 -2.913 -9.292 819 HD1 PHE 106 HD2 PHE 106 128.760 -2.207 -11.535 820 HD2 PHE 106 HD1 PHE 106 128.065 0.410 -8.203 821 HE1 PHE 106 HE2 PHE 106 130.590 -0.725 -12.318 822 HE2 PHE 106 HE1 PHE 106 129.894 1.893 -8.985 823 HZ PHE 106 HZ PHE 106 131.156 1.324 -11.043 824 H LYS 107 HN LYS 107 123.540 -1.686 -10.931 825 HA LYS 107 HA LYS 107 122.601 -3.466 -8.786 826 1HB LYS 107 HB2 LYS 107 121.362 -1.390 -9.542 827 2HB LYS 107 HB1 LYS 107 120.992 -2.242 -11.041 828 1HG LYS 107 HG2 LYS 107 119.936 -4.064 -9.704 829 2HG LYS 107 HG1 LYS 107 120.220 -3.116 -8.243 830 1HD LYS 107 HD2 LYS 107 118.741 -1.392 -8.946 831 2HD LYS 107 HD1 LYS 107 118.705 -1.993 -10.603 832 1HE LYS 107 HE2 LYS 107 117.392 -3.879 -10.006 833 2HE LYS 107 HE1 LYS 107 117.718 -3.661 -8.287 834 1HZ LYS 107 HZ3 LYS 107 116.273 -1.655 -9.917 835 2HZ LYS 107 HZ2 LYS 107 115.481 -2.898 -9.072 836 3HZ LYS 107 HZ1 LYS 107 116.386 -1.734 -8.227 837 H ASP 108 HN ASP 108 123.185 -3.597 -12.247 838 HA ASP 108 HA ASP 108 121.741 -6.087 -12.670 839 1HB ASP 108 HB2 ASP 108 123.693 -4.459 -14.285 840 2HB ASP 108 HB1 ASP 108 123.225 -6.074 -14.814 841 H ASP 109 HN ASP 109 125.008 -5.198 -11.743 842 HA ASP 109 HA ASP 109 125.780 -8.084 -11.802 843 1HB ASP 109 HB2 ASP 109 127.456 -5.557 -11.818 844 2HB ASP 109 HB1 ASP 109 128.135 -7.173 -11.614 845 H VAL 110 HN VAL 110 124.331 -8.012 -9.749 846 HA VAL 110 HA VAL 110 126.113 -7.473 -7.416 847 HB VAL 110 HB VAL 110 124.417 -5.684 -7.542 848 1HG1 VAL 110 HG13 VAL 110 122.755 -7.278 -8.743 849 2HG1 VAL 110 HG12 VAL 110 122.284 -7.768 -7.116 850 3HG1 VAL 110 HG11 VAL 110 122.102 -6.087 -7.618 851 1HG2 VAL 110 HG22 VAL 110 125.165 -6.796 -5.328 852 2HG2 VAL 110 HG21 VAL 110 123.709 -5.801 -5.286 853 3HG2 VAL 110 HG23 VAL 110 123.574 -7.559 -5.329 854 H ASP 111 HN ASP 111 126.563 -9.460 -6.606 855 HA ASP 111 HA ASP 111 124.383 -11.509 -6.590 856 1HB ASP 111 HB2 ASP 111 126.262 -13.165 -6.376 857 2HB ASP 111 HB1 ASP 111 126.296 -12.257 -7.886 858 H THR 112 HN THR 112 127.054 -10.132 -4.680 859 HA THR 112 HA THR 112 125.993 -11.451 -2.240 860 HB THR 112 HB THR 112 128.376 -9.614 -2.292 861 HG1 THR 112 HG1 THR 112 129.517 -11.026 -3.349 862 1HG2 THR 112 HG21 THR 112 127.320 -10.711 -0.200 863 2HG2 THR 112 HG23 THR 112 128.009 -12.214 -0.814 864 3HG2 THR 112 HG22 THR 112 129.065 -10.860 -0.412 865 H LEU 113 HN LEU 113 124.835 -10.321 -0.726 866 HA LEU 113 HA LEU 113 124.723 -7.344 -1.016 867 1HB LEU 113 HB2 LEU 113 122.450 -9.246 -0.369 868 2HB LEU 113 HB1 LEU 113 122.332 -7.486 -0.343 869 HG LEU 113 HG LEU 113 123.317 -8.917 -2.803 870 1HD1 LEU 113 HD12 LEU 113 121.094 -9.872 -2.094 871 2HD1 LEU 113 HD11 LEU 113 120.423 -8.244 -2.201 872 3HD1 LEU 113 HD13 LEU 113 121.051 -9.037 -3.647 873 1HD2 LEU 113 HD23 LEU 113 122.168 -6.222 -2.098 874 2HD2 LEU 113 HD22 LEU 113 123.648 -6.597 -2.982 875 3HD2 LEU 113 HD21 LEU 113 122.079 -6.818 -3.756 876 H LEU 114 HN LEU 114 126.129 -6.925 0.714 877 HA LEU 114 HA LEU 114 125.601 -8.182 3.339 878 1HB LEU 114 HB2 LEU 114 127.674 -6.152 2.446 879 2HB LEU 114 HB1 LEU 114 127.587 -6.851 4.064 880 HG LEU 114 HG LEU 114 127.582 -8.798 1.823 881 1HD1 LEU 114 HD13 LEU 114 129.983 -7.085 2.516 882 2HD1 LEU 114 HD12 LEU 114 130.103 -8.632 1.678 883 3HD1 LEU 114 HD11 LEU 114 129.238 -7.289 0.931 884 1HD2 LEU 114 HD22 LEU 114 127.719 -9.078 4.460 885 2HD2 LEU 114 HD21 LEU 114 128.622 -10.156 3.397 886 3HD2 LEU 114 HD23 LEU 114 129.439 -8.803 4.178 887 H VAL 115 HN VAL 115 123.666 -7.298 4.089 888 HA VAL 115 HA VAL 115 123.602 -4.318 4.355 889 HB VAL 115 HB VAL 115 121.836 -5.203 2.870 890 1HG1 VAL 115 HG13 VAL 115 121.684 -7.455 3.918 891 2HG1 VAL 115 HG12 VAL 115 120.897 -6.725 5.318 892 3HG1 VAL 115 HG11 VAL 115 120.105 -6.690 3.743 893 1HG2 VAL 115 HG21 VAL 115 121.499 -3.276 4.601 894 2HG2 VAL 115 HG23 VAL 115 120.080 -3.948 3.800 895 3HG2 VAL 115 HG22 VAL 115 120.476 -4.437 5.446 896 H THR 116 HN THR 116 123.185 -3.471 6.386 897 HA THR 116 HA THR 116 123.176 -5.426 8.635 898 HB THR 116 HB THR 116 123.711 -2.444 8.748 899 HG1 THR 116 HG1 THR 116 125.899 -3.082 8.768 900 1HG2 THR 116 HG23 THR 116 124.053 -4.757 10.656 901 2HG2 THR 116 HG22 THR 116 124.943 -3.248 10.860 902 3HG2 THR 116 HG21 THR 116 123.180 -3.247 10.914 903 H ARG 117 HN ARG 117 121.035 -5.895 9.041 904 HA ARG 117 HA ARG 117 118.929 -3.899 8.828 905 1HB ARG 117 HB2 ARG 117 119.048 -6.732 9.869 906 2HB ARG 117 HB1 ARG 117 117.587 -5.753 10.016 907 1HG ARG 117 HG2 ARG 117 117.452 -5.469 7.621 908 2HG ARG 117 HG1 ARG 117 119.026 -6.232 7.394 909 1HD ARG 117 HD2 ARG 117 118.214 -8.367 7.927 910 2HD ARG 117 HD1 ARG 117 116.808 -7.723 8.777 911 HE ARG 117 HE ARG 117 115.678 -7.607 6.713 912 1HH1 ARG 117 HH21 ARG 117 119.120 -7.948 6.187 913 2HH1 ARG 117 HH22 ARG 117 118.941 -8.144 4.479 914 1HH2 ARG 117 HH11 ARG 117 115.493 -7.866 4.498 915 2HH2 ARG 117 HH12 ARG 117 116.911 -8.098 3.531 916 H LEU 118 HN LEU 118 118.394 -2.440 10.368 917 HA LEU 118 HA LEU 118 119.565 -2.744 13.083 918 1HB LEU 118 HB2 LEU 118 118.651 -0.466 11.405 919 2HB LEU 118 HB1 LEU 118 118.390 -0.309 13.143 920 HG LEU 118 HG LEU 118 120.874 -1.120 13.325 921 1HD1 LEU 118 HD13 LEU 118 120.623 -0.230 10.447 922 2HD1 LEU 118 HD12 LEU 118 122.161 -0.173 11.310 923 3HD1 LEU 118 HD11 LEU 118 121.340 -1.715 11.071 924 1HD2 LEU 118 HD23 LEU 118 119.887 1.183 13.826 925 2HD2 LEU 118 HD22 LEU 118 121.593 1.166 13.376 926 3HD2 LEU 118 HD21 LEU 118 120.374 1.646 12.196 927 H ALA 119 HN ALA 119 117.850 -1.448 14.699 928 HA ALA 119 HA ALA 119 115.243 -2.880 14.372 929 1HB ALA 119 HB2 ALA 119 116.726 -3.900 16.122 930 2HB ALA 119 HB1 ALA 119 116.693 -2.362 16.984 931 3HB ALA 119 HB3 ALA 119 115.206 -3.284 16.768 932 H GLY 120 HN GLY 120 116.847 -0.203 16.127 933 1HA GLY 120 HA2 GLY 120 114.432 1.176 16.802 934 2HA GLY 120 HA1 GLY 120 116.035 1.912 16.741 935 H SER 121 HN SER 121 113.329 2.835 15.726 936 HA SER 121 HA SER 121 113.608 2.869 12.811 937 1HB SER 121 HB2 SER 121 111.786 4.527 14.580 938 2HB SER 121 HB1 SER 121 111.617 4.270 12.846 939 HG SER 121 HG SER 121 110.420 2.879 14.522 940 H PHE 122 HN PHE 122 113.777 4.966 11.623 941 HA PHE 122 HA PHE 122 115.057 7.185 13.096 942 1HB PHE 122 HB2 PHE 122 116.440 5.666 10.864 943 2HB PHE 122 HB1 PHE 122 117.004 7.197 11.534 944 HD1 PHE 122 HD2 PHE 122 117.592 7.324 13.996 945 HD2 PHE 122 HD1 PHE 122 116.867 3.604 11.973 946 HE1 PHE 122 HE2 PHE 122 118.727 6.103 15.833 947 HE2 PHE 122 HE1 PHE 122 118.002 2.385 13.810 948 HZ PHE 122 HZ PHE 122 118.933 3.634 15.739 949 H GLU 123 HN GLU 123 115.516 9.034 11.491 950 HA GLU 123 HA GLU 123 113.467 9.011 9.309 951 1HB GLU 123 HB2 GLU 123 112.789 10.386 11.293 952 2HB GLU 123 HB1 GLU 123 114.227 11.377 11.047 953 1HG GLU 123 HG2 GLU 123 113.450 11.941 8.771 954 2HG GLU 123 HG1 GLU 123 112.002 10.965 9.028 955 H GLY 124 HN GLY 124 114.061 10.089 7.388 956 1HA GLY 124 HA2 GLY 124 116.319 11.769 7.034 957 2HA GLY 124 HA1 GLY 124 116.835 10.113 6.711 958 H ASP 125 HN ASP 125 117.122 11.342 4.514 959 HA ASP 125 HA ASP 125 114.575 11.136 2.958 960 1HB ASP 125 HB2 ASP 125 115.698 12.674 1.326 961 2HB ASP 125 HB1 ASP 125 115.451 13.404 2.914 962 H THR 126 HN THR 126 118.003 10.286 3.071 963 HA THR 126 HA THR 126 118.067 8.994 0.483 964 HB THR 126 HB THR 126 119.872 8.264 2.784 965 HG1 THR 126 HG1 THR 126 120.050 10.558 1.128 966 1HG2 THR 126 HG22 THR 126 120.003 8.317 -0.214 967 2HG2 THR 126 HG21 THR 126 121.491 8.432 0.726 968 3HG2 THR 126 HG23 THR 126 120.446 7.021 0.896 969 H LYS 127 HN LYS 127 117.525 6.911 -0.052 970 HA LYS 127 HA LYS 127 116.948 4.981 2.142 971 1HB LYS 127 HB2 LYS 127 115.075 5.770 -0.103 972 2HB LYS 127 HB1 LYS 127 114.875 4.291 0.838 973 1HG LYS 127 HG2 LYS 127 114.697 5.587 2.903 974 2HG LYS 127 HG1 LYS 127 114.999 7.083 2.017 975 1HD LYS 127 HD2 LYS 127 112.929 6.934 0.852 976 2HD LYS 127 HD1 LYS 127 112.695 5.252 1.328 977 1HE LYS 127 HE2 LYS 127 112.574 6.020 3.721 978 2HE LYS 127 HE1 LYS 127 112.604 7.683 3.134 979 1HZ LYS 127 HZ1 LYS 127 110.611 5.678 2.244 980 2HZ LYS 127 HZ3 LYS 127 110.343 6.739 3.539 981 3HZ LYS 127 HZ2 LYS 127 110.585 7.355 1.974 982 H MET 128 HN MET 128 116.598 2.719 1.142 983 HA MET 128 HA MET 128 118.755 2.274 -0.824 984 1HB MET 128 HB2 MET 128 118.446 0.873 1.280 985 2HB MET 128 HB1 MET 128 117.011 0.192 0.514 986 1HG MET 128 HG2 MET 128 118.846 -1.295 0.035 987 2HG MET 128 HG1 MET 128 118.470 -0.432 -1.456 988 1HE MET 128 HE2 MET 128 120.785 -1.998 -1.151 989 2HE MET 128 HE1 MET 128 121.123 -0.913 -2.498 990 3HE MET 128 HE3 MET 128 122.325 -1.144 -1.221 991 H ILE 129 HN ILE 129 118.407 1.082 -2.792 992 HA ILE 129 HA ILE 129 115.947 1.768 -4.160 993 HB ILE 129 HB ILE 129 116.938 0.420 -6.030 994 1HG1 ILE 129 HG12 ILE 129 119.354 0.082 -4.253 995 2HG1 ILE 129 HG11 ILE 129 118.091 -1.149 -4.302 996 1HG2 ILE 129 HG23 ILE 129 117.514 2.817 -5.678 997 2HG2 ILE 129 HG22 ILE 129 118.878 2.320 -4.677 998 3HG2 ILE 129 HG21 ILE 129 118.847 1.909 -6.393 999 1HD1 ILE 129 HD13 ILE 129 118.350 -1.190 -6.815 1000 2HD1 ILE 129 HD12 ILE 129 119.759 -0.146 -6.624 1001 3HD1 ILE 129 HD11 ILE 129 119.762 -1.767 -5.929 1002 HA PRO 130 HA PRO 130 113.586 -1.945 -3.503 1003 1HB PRO 130 HB2 PRO 130 112.386 -2.162 -6.026 1004 2HB PRO 130 HB1 PRO 130 111.804 -1.174 -4.679 1005 1HG PRO 130 HG2 PRO 130 112.892 -0.292 -7.174 1006 2HG PRO 130 HG1 PRO 130 112.295 0.691 -5.829 1007 1HD PRO 130 HD2 PRO 130 115.054 0.098 -6.594 1008 2HD PRO 130 HD1 PRO 130 114.441 1.333 -5.482 1009 H LEU 131 HN LEU 131 115.259 -3.542 -3.363 1010 HA LEU 131 HA LEU 131 116.194 -4.811 -5.867 1011 1HB LEU 131 HB2 LEU 131 116.886 -5.281 -2.953 1012 2HB LEU 131 HB1 LEU 131 117.585 -6.194 -4.291 1013 HG LEU 131 HG LEU 131 117.681 -3.176 -4.201 1014 1HD1 LEU 131 HD12 LEU 131 118.761 -4.119 -2.159 1015 2HD1 LEU 131 HD11 LEU 131 119.788 -5.113 -3.192 1016 3HD1 LEU 131 HD13 LEU 131 119.922 -3.355 -3.243 1017 1HD2 LEU 131 HD21 LEU 131 119.013 -5.384 -5.760 1018 2HD2 LEU 131 HD23 LEU 131 118.213 -3.932 -6.362 1019 3HD2 LEU 131 HD22 LEU 131 119.799 -3.813 -5.598 1020 H ASN 132 HN ASN 132 115.899 -7.104 -6.238 1021 HA ASN 132 HA ASN 132 113.272 -8.061 -5.320 1022 1HB ASN 132 HB2 ASN 132 114.265 -8.265 -7.714 1023 2HB ASN 132 HB1 ASN 132 115.186 -9.617 -7.054 1024 1HD2 ASN 132 HD22 ASN 132 111.119 -9.976 -7.487 1025 2HD2 ASN 132 HD21 ASN 132 111.835 -8.438 -7.538 1026 H TRP 133 HN TRP 133 113.052 -9.342 -3.563 1027 HA TRP 133 HA TRP 133 115.470 -10.721 -2.501 1028 1HB TRP 133 HB2 TRP 133 112.809 -10.126 -1.173 1029 2HB TRP 133 HB1 TRP 133 114.201 -10.874 -0.390 1030 HD1 TRP 133 HD1 TRP 133 112.989 -7.551 -1.829 1031 HE1 TRP 133 HE1 TRP 133 114.524 -5.667 -0.969 1032 HE3 TRP 133 HE3 TRP 133 116.582 -10.333 0.503 1033 HZ2 TRP 133 HZ2 TRP 133 116.954 -5.377 0.513 1034 HZ3 TRP 133 HZ3 TRP 133 118.492 -9.228 1.630 1035 HH2 TRP 133 HH2 TRP 133 118.684 -6.756 1.637 1036 H ASP 134 HN ASP 134 113.136 -11.550 -4.602 1037 HA ASP 134 HA ASP 134 112.250 -14.062 -3.365 1038 1HB ASP 134 HB2 ASP 134 110.845 -12.683 -4.974 1039 2HB ASP 134 HB1 ASP 134 111.941 -13.205 -6.253 1040 H ASP 135 HN ASP 135 114.708 -12.961 -5.618 1041 HA ASP 135 HA ASP 135 115.508 -15.781 -6.156 1042 1HB ASP 135 HB2 ASP 135 115.227 -13.932 -7.991 1043 2HB ASP 135 HB1 ASP 135 116.800 -13.375 -7.419 1044 H PHE 136 HN PHE 136 115.955 -14.531 -3.557 1045 HA PHE 136 HA PHE 136 118.917 -14.799 -3.478 1046 1HB PHE 136 HB2 PHE 136 117.288 -12.504 -2.374 1047 2HB PHE 136 HB1 PHE 136 118.890 -12.895 -1.748 1048 HD1 PHE 136 HD2 PHE 136 116.997 -11.782 -4.726 1049 HD2 PHE 136 HD1 PHE 136 120.887 -12.503 -3.052 1050 HE1 PHE 136 HE2 PHE 136 118.039 -10.576 -6.626 1051 HE2 PHE 136 HE1 PHE 136 121.928 -11.296 -4.951 1052 HZ PHE 136 HZ PHE 136 120.504 -10.332 -6.738 1053 H THR 137 HN THR 137 119.596 -15.995 -1.734 1054 HA THR 137 HA THR 137 117.510 -16.756 0.272 1055 HB THR 137 HB THR 137 119.977 -18.350 -0.468 1056 HG1 THR 137 HG1 THR 137 118.696 -18.248 -2.277 1057 1HG2 THR 137 HG21 THR 137 117.479 -18.859 1.143 1058 2HG2 THR 137 HG23 THR 137 118.436 -20.187 0.488 1059 3HG2 THR 137 HG22 THR 137 119.160 -19.059 1.634 1060 H LYS 138 HN LYS 138 118.391 -17.231 2.471 1061 HA LYS 138 HA LYS 138 120.456 -15.227 3.182 1062 1HB LYS 138 HB2 LYS 138 118.135 -15.590 4.363 1063 2HB LYS 138 HB1 LYS 138 118.974 -16.906 5.186 1064 1HG LYS 138 HG2 LYS 138 120.414 -15.478 6.302 1065 2HG LYS 138 HG1 LYS 138 120.327 -14.242 5.046 1066 1HD LYS 138 HD2 LYS 138 119.084 -13.304 6.816 1067 2HD LYS 138 HD1 LYS 138 117.845 -13.991 5.766 1068 1HE LYS 138 HE2 LYS 138 118.998 -15.754 7.883 1069 2HE LYS 138 HE1 LYS 138 117.875 -14.490 8.388 1070 1HZ LYS 138 HZ2 LYS 138 116.363 -15.338 6.594 1071 2HZ LYS 138 HZ1 LYS 138 117.393 -16.682 6.455 1072 3HZ LYS 138 HZ3 LYS 138 116.582 -16.383 7.915 1073 H VAL 139 HN VAL 139 122.449 -15.794 4.007 1074 HA VAL 139 HA VAL 139 122.980 -18.715 4.387 1075 HB VAL 139 HB VAL 139 124.912 -16.667 3.261 1076 1HG1 VAL 139 HG12 VAL 139 125.009 -19.674 3.622 1077 2HG1 VAL 139 HG11 VAL 139 126.157 -18.777 2.629 1078 3HG1 VAL 139 HG13 VAL 139 126.068 -18.477 4.365 1079 1HG2 VAL 139 HG23 VAL 139 123.024 -18.625 1.965 1080 2HG2 VAL 139 HG22 VAL 139 123.339 -16.942 1.537 1081 3HG2 VAL 139 HG21 VAL 139 124.535 -18.185 1.166 1082 H SER 140 HN SER 140 124.604 -15.577 4.995 1083 HA SER 140 HA SER 140 125.406 -16.607 7.670 1084 1HB SER 140 HB2 SER 140 126.336 -14.150 6.155 1085 2HB SER 140 HB1 SER 140 126.985 -14.713 7.692 1086 HG SER 140 HG SER 140 127.902 -16.396 6.703 1087 H SER 141 HN SER 141 124.810 -15.519 9.562 1088 HA SER 141 HA SER 141 123.293 -13.007 9.420 1089 1HB SER 141 HB2 SER 141 121.486 -14.548 8.972 1090 2HB SER 141 HB1 SER 141 122.007 -15.617 10.270 1091 HG SER 141 HG SER 141 121.312 -14.180 11.746 1092 H ARG 142 HN ARG 142 124.625 -12.027 10.913 1093 HA ARG 142 HA ARG 142 125.036 -13.427 13.522 1094 1HB ARG 142 HB2 ARG 142 126.987 -12.500 11.962 1095 2HB ARG 142 HB1 ARG 142 126.589 -10.983 12.770 1096 1HG ARG 142 HG2 ARG 142 126.930 -13.463 14.422 1097 2HG ARG 142 HG1 ARG 142 128.365 -12.621 13.835 1098 1HD ARG 142 HD2 ARG 142 127.107 -10.486 14.755 1099 2HD ARG 142 HD1 ARG 142 126.263 -11.673 15.751 1100 HE ARG 142 HE ARG 142 128.232 -11.915 17.009 1101 1HH1 ARG 142 HH21 ARG 142 128.988 -10.534 13.885 1102 2HH1 ARG 142 HH22 ARG 142 130.650 -10.286 14.286 1103 1HH2 ARG 142 HH11 ARG 142 130.391 -11.575 17.484 1104 2HH2 ARG 142 HH12 ARG 142 131.440 -10.868 16.300 1105 H THR 143 HN THR 143 123.853 -12.651 15.188 1106 HA THR 143 HA THR 143 122.512 -10.025 14.907 1107 HB THR 143 HB THR 143 122.217 -12.025 17.161 1108 HG1 THR 143 HG1 THR 143 121.606 -13.172 15.438 1109 1HG2 THR 143 HG22 THR 143 121.346 -9.719 17.507 1110 2HG2 THR 143 HG21 THR 143 120.350 -9.906 16.063 1111 3HG2 THR 143 HG23 THR 143 120.061 -10.927 17.473 1112 H VAL 144 HN VAL 144 122.907 -8.297 16.301 1113 HA VAL 144 HA VAL 144 124.892 -8.663 18.479 1114 HB VAL 144 HB VAL 144 125.167 -6.522 16.349 1115 1HG1 VAL 144 HG12 VAL 144 126.703 -7.275 18.833 1116 2HG1 VAL 144 HG11 VAL 144 127.484 -6.406 17.512 1117 3HG1 VAL 144 HG13 VAL 144 126.107 -5.688 18.347 1118 1HG2 VAL 144 HG23 VAL 144 126.576 -9.169 16.761 1119 2HG2 VAL 144 HG22 VAL 144 125.770 -8.585 15.305 1120 3HG2 VAL 144 HG21 VAL 144 127.291 -7.858 15.823 1121 H GLU 145 HN GLU 145 123.989 -7.754 20.248 1122 HA GLU 145 HA GLU 145 122.041 -5.524 19.870 1123 1HB GLU 145 HB2 GLU 145 121.377 -7.673 21.101 1124 2HB GLU 145 HB1 GLU 145 122.459 -7.143 22.390 1125 1HG GLU 145 HG2 GLU 145 121.187 -5.159 22.776 1126 2HG GLU 145 HG1 GLU 145 120.267 -5.375 21.286 1127 H ASP 146 HN ASP 146 122.463 -3.534 20.767 1128 HA ASP 146 HA ASP 146 125.120 -3.186 22.055 1129 1HB ASP 146 HB2 ASP 146 123.972 -1.774 20.042 1130 2HB ASP 146 HB1 ASP 146 123.438 -0.819 21.426 1131 H THR 147 HN THR 147 124.726 -0.904 23.531 1132 HA THR 147 HA THR 147 123.559 -1.892 25.949 1133 HB THR 147 HB THR 147 123.756 0.541 26.686 1134 HG1 THR 147 HG1 THR 147 124.329 1.990 25.251 1135 1HG2 THR 147 HG21 THR 147 126.140 -0.829 25.411 1136 2HG2 THR 147 HG23 THR 147 126.251 0.516 26.546 1137 3HG2 THR 147 HG22 THR 147 125.576 -1.026 27.071 1138 H ASN 148 HN ASN 148 122.280 0.052 23.308 1139 HA ASN 148 HA ASN 148 119.661 0.199 24.746 1140 1HB ASN 148 HB2 ASN 148 120.824 1.918 22.537 1141 2HB ASN 148 HB1 ASN 148 119.148 2.027 23.075 1142 1HD2 ASN 148 HD22 ASN 148 121.639 4.282 25.030 1143 2HD2 ASN 148 HD21 ASN 148 121.664 3.880 23.381 1144 HA PRO 149 HA PRO 149 117.861 -2.378 21.596 1145 1HB PRO 149 HB2 PRO 149 115.273 -1.322 21.638 1146 2HB PRO 149 HB1 PRO 149 115.904 -2.555 22.738 1147 1HG PRO 149 HG2 PRO 149 115.173 0.153 23.337 1148 2HG PRO 149 HG1 PRO 149 115.751 -1.101 24.443 1149 1HD PRO 149 HD2 PRO 149 117.207 1.163 23.311 1150 2HD PRO 149 HD1 PRO 149 117.668 0.089 24.643 1151 H ALA 150 HN ALA 150 117.458 1.107 21.305 1152 HA ALA 150 HA ALA 150 116.472 1.064 18.576 1153 1HB ALA 150 HB3 ALA 150 117.623 3.194 20.376 1154 2HB ALA 150 HB2 ALA 150 117.281 3.527 18.678 1155 3HB ALA 150 HB1 ALA 150 115.976 3.044 19.761 1156 H LEU 151 HN LEU 151 119.640 0.956 20.061 1157 HA LEU 151 HA LEU 151 120.960 1.468 17.451 1158 1HB LEU 151 HB2 LEU 151 121.924 1.291 20.301 1159 2HB LEU 151 HB1 LEU 151 123.061 1.172 18.958 1160 HG LEU 151 HG LEU 151 121.072 3.437 19.230 1161 1HD1 LEU 151 HD12 LEU 151 122.772 3.234 21.144 1162 2HD1 LEU 151 HD11 LEU 151 124.011 3.558 19.931 1163 3HD1 LEU 151 HD13 LEU 151 122.763 4.761 20.260 1164 1HD2 LEU 151 HD22 LEU 151 123.453 2.823 17.483 1165 2HD2 LEU 151 HD21 LEU 151 121.832 3.323 16.999 1166 3HD2 LEU 151 HD23 LEU 151 122.932 4.487 17.740 1167 H THR 152 HN THR 152 119.392 -0.984 17.920 1168 HA THR 152 HA THR 152 121.405 -3.119 18.213 1169 HB THR 152 HB THR 152 118.496 -3.407 17.423 1170 HG1 THR 152 HG1 THR 152 117.983 -3.071 19.428 1171 1HG2 THR 152 HG21 THR 152 120.257 -5.311 17.240 1172 2HG2 THR 152 HG23 THR 152 120.189 -5.330 19.001 1173 3HG2 THR 152 HG22 THR 152 118.733 -5.655 18.058 1174 H HIS 153 HN HIS 153 122.028 -4.508 16.501 1175 HA HIS 153 HA HIS 153 121.025 -3.902 13.780 1176 1HB HIS 153 HB2 HIS 153 123.379 -3.726 12.927 1177 2HB HIS 153 HB1 HIS 153 122.915 -2.389 13.979 1178 HD1 HIS 153 HD1 HIS 153 123.534 -2.961 16.673 1179 HD2 HIS 153 HD2 HIS 153 125.790 -4.814 13.697 1180 HE1 HIS 153 HE1 HIS 153 125.680 -3.733 17.776 1181 H THR 154 HN THR 154 121.550 -5.590 12.247 1182 HA THR 154 HA THR 154 122.714 -8.074 13.401 1183 HB THR 154 HB THR 154 120.138 -8.085 11.811 1184 HG1 THR 154 HG1 THR 154 120.561 -8.149 14.613 1185 1HG2 THR 154 HG22 THR 154 121.883 -10.096 12.227 1186 2HG2 THR 154 HG21 THR 154 120.929 -10.235 13.703 1187 3HG2 THR 154 HG23 THR 154 120.141 -10.353 12.130 1188 H TYR 155 HN TYR 155 124.435 -8.342 12.049 1189 HA TYR 155 HA TYR 155 124.522 -7.424 9.328 1190 1HB TYR 155 HB2 TYR 155 126.214 -9.529 10.713 1191 2HB TYR 155 HB1 TYR 155 126.603 -8.751 9.179 1192 HD1 TYR 155 HD2 TYR 155 126.553 -6.097 9.227 1193 HD2 TYR 155 HD1 TYR 155 127.064 -8.603 12.678 1194 HE1 TYR 155 HE2 TYR 155 127.590 -4.204 10.447 1195 HE2 TYR 155 HE1 TYR 155 128.102 -6.710 13.899 1196 HH TYR 155 HH TYR 155 129.364 -4.133 12.562 1197 H GLU 156 HN GLU 156 123.643 -8.347 7.550 1198 HA GLU 156 HA GLU 156 123.055 -11.278 7.615 1199 1HB GLU 156 HB2 GLU 156 121.289 -9.114 6.429 1200 2HB GLU 156 HB1 GLU 156 120.959 -10.846 6.412 1201 1HG GLU 156 HG2 GLU 156 121.335 -9.232 8.948 1202 2HG GLU 156 HG1 GLU 156 119.760 -9.598 8.244 1203 H VAL 157 HN VAL 157 123.715 -12.362 5.801 1204 HA VAL 157 HA VAL 157 124.706 -10.708 3.510 1205 HB VAL 157 HB VAL 157 125.697 -13.440 4.379 1206 1HG1 VAL 157 HG13 VAL 157 125.993 -12.913 1.981 1207 2HG1 VAL 157 HG12 VAL 157 126.790 -11.401 2.415 1208 3HG1 VAL 157 HG11 VAL 157 127.543 -12.944 2.822 1209 1HG2 VAL 157 HG21 VAL 157 126.448 -10.668 5.169 1210 2HG2 VAL 157 HG23 VAL 157 126.590 -12.173 6.078 1211 3HG2 VAL 157 HG22 VAL 157 127.776 -11.779 4.834 1212 H TRP 158 HN TRP 158 123.154 -10.862 1.951 1213 HA TRP 158 HA TRP 158 121.737 -13.443 1.559 1214 1HB TRP 158 HB2 TRP 158 121.283 -10.707 0.330 1215 2HB TRP 158 HB1 TRP 158 120.283 -12.127 0.029 1216 HD1 TRP 158 HD1 TRP 158 121.565 -10.191 3.136 1217 HE1 TRP 158 HE1 TRP 158 119.656 -10.111 4.865 1218 HE3 TRP 158 HE3 TRP 158 118.000 -12.863 0.640 1219 HZ2 TRP 158 HZ2 TRP 158 116.970 -11.053 5.152 1220 HZ3 TRP 158 HZ3 TRP 158 115.777 -13.255 1.663 1221 HH2 TRP 158 HH2 TRP 158 115.259 -12.355 3.914 1222 H GLN 159 HN GLN 159 121.839 -14.570 -0.421 1223 HA GLN 159 HA GLN 159 123.876 -13.591 -2.381 1224 1HB GLN 159 HB2 GLN 159 123.626 -16.269 -1.042 1225 2HB GLN 159 HB1 GLN 159 124.287 -16.176 -2.674 1226 1HG GLN 159 HG2 GLN 159 125.921 -14.460 -1.855 1227 2HG GLN 159 HG1 GLN 159 125.322 -14.731 -0.218 1228 1HE2 GLN 159 HE22 GLN 159 127.864 -17.418 -1.905 1229 2HE2 GLN 159 HE21 GLN 159 127.325 -16.061 -2.771 1230 H LYS 160 HN LYS 160 123.474 -14.233 -4.573 1231 HA LYS 160 HA LYS 160 120.639 -14.548 -5.203 1232 1HB LYS 160 HB2 LYS 160 122.565 -13.244 -6.489 1233 2HB LYS 160 HB1 LYS 160 122.775 -14.804 -7.285 1234 1HG LYS 160 HG2 LYS 160 120.368 -14.819 -7.869 1235 2HG LYS 160 HG1 LYS 160 120.184 -13.237 -7.109 1236 1HD LYS 160 HD2 LYS 160 120.497 -12.670 -9.361 1237 2HD LYS 160 HD1 LYS 160 122.130 -12.528 -8.709 1238 1HE LYS 160 HE2 LYS 160 122.484 -13.821 -10.627 1239 2HE LYS 160 HE1 LYS 160 122.336 -15.053 -9.374 1240 1HZ LYS 160 HZ1 LYS 160 120.121 -14.109 -11.112 1241 2HZ LYS 160 HZ3 LYS 160 120.983 -15.553 -11.330 1242 3HZ LYS 160 HZ2 LYS 160 120.025 -15.338 -9.943 1243 H LYS 161 HN LYS 161 119.761 -16.322 -6.447 1244 HA LYS 161 HA LYS 161 120.773 -18.916 -5.628 1245 1HB LYS 161 HB2 LYS 161 118.583 -18.140 -7.578 1246 2HB LYS 161 HB1 LYS 161 118.903 -19.789 -7.039 1247 1HG LYS 161 HG2 LYS 161 118.658 -18.868 -4.646 1248 2HG LYS 161 HG1 LYS 161 117.944 -17.442 -5.399 1249 1HD LYS 161 HD2 LYS 161 116.094 -18.623 -6.197 1250 2HD LYS 161 HD1 LYS 161 116.938 -20.172 -6.148 1251 1HE LYS 161 HE2 LYS 161 115.496 -20.301 -4.295 1252 2HE LYS 161 HE1 LYS 161 117.021 -19.786 -3.575 1253 1HZ LYS 161 HZ1 LYS 161 116.244 -17.485 -3.723 1254 2HZ LYS 161 HZ3 LYS 161 114.758 -18.022 -4.341 1255 3HZ LYS 161 HZ2 LYS 161 115.220 -18.436 -2.759 1256 H ALA 162 HN ALA 162 121.966 -20.374 -6.825 1257 HA ALA 162 HA ALA 162 123.367 -21.162 -8.532 1258 1HB ALA 162 HB2 ALA 162 121.025 -20.831 -9.730 1259 2HB ALA 162 HB1 ALA 162 121.880 -19.529 -10.556 1260 3HB ALA 162 HB3 ALA 162 122.472 -21.186 -10.674 1261 1HN2 MTX 170 1HN2 MTX 170 126.676 -1.486 7.757 1262 2HN2 MTX 170 2HN2 MTX 170 126.978 -2.172 6.234 1263 1HN4 MTX 170 1HN4 MTX 170 128.954 0.358 2.767 1264 2HN4 MTX 170 2HN4 MTX 170 129.374 1.981 3.031 1265 H7 MTX 170 H7 MTX 170 128.709 5.172 7.941 1266 1H9 MTX 170 H91 MTX 170 128.974 6.325 4.947 1267 2H9 MTX 170 H92 MTX 170 130.569 5.570 4.809 1268 1HM MTX 170 HM1 MTX 170 128.309 7.350 6.856 1269 2HM MTX 170 HM2 MTX 170 129.627 8.558 6.934 1270 3HM MTX 170 HM3 MTX 170 129.388 7.407 8.282 1271 H12 MTX 170 H13 MTX 170 134.100 8.421 8.320 1272 H13 MTX 170 H12 MTX 170 131.723 8.594 7.580 1273 H15 MTX 170 H16 MTX 170 131.773 4.399 6.477 1274 H16 MTX 170 H15 MTX 170 134.151 4.239 7.220 1275 HN MTX 170 HN MTX 170 135.253 4.486 9.263 1276 HA MTX 170 HA MTX 170 137.765 5.960 9.593 1277 1HB MTX 170 HB1 MTX 170 137.744 3.271 10.794 1278 2HB MTX 170 HB2 MTX 170 136.282 4.144 11.218 1279 1HG MTX 170 HG1 MTX 170 138.044 6.157 11.645 1280 2HG MTX 170 HG2 MTX 170 139.164 4.815 11.864 1281 HN1 MTX 170 H1N MTX 170 127.223 0.725 8.190 No H/Q in entry = 1281 Start of MODEL 16 1 1H THR 1 HT2 THR 1 132.696 -8.252 -6.828 2 2H THR 1 HT1 THR 1 133.039 -6.924 -7.830 3 3H THR 1 HT3 THR 1 132.968 -6.719 -6.149 4 HA THR 1 HA THR 1 130.965 -5.864 -7.178 5 HB THR 1 HB THR 1 129.444 -7.516 -8.283 6 HG1 THR 1 HG1 THR 1 130.102 -9.531 -8.606 7 1HG2 THR 1 HG21 THR 1 131.107 -6.025 -9.517 8 2HG2 THR 1 HG23 THR 1 132.144 -7.446 -9.641 9 3HG2 THR 1 HG22 THR 1 130.550 -7.449 -10.397 10 H ALA 2 HN ALA 2 130.583 -5.600 -4.943 11 HA ALA 2 HA ALA 2 128.859 -7.682 -3.742 12 1HB ALA 2 HB2 ALA 2 131.367 -6.619 -2.403 13 2HB ALA 2 HB1 ALA 2 130.134 -7.591 -1.598 14 3HB ALA 2 HB3 ALA 2 131.080 -8.283 -2.914 15 H PHE 3 HN PHE 3 127.095 -6.621 -3.012 16 HA PHE 3 HA PHE 3 127.131 -3.715 -2.660 17 1HB PHE 3 HB2 PHE 3 125.062 -5.875 -2.639 18 2HB PHE 3 HB1 PHE 3 124.684 -4.365 -1.813 19 HD1 PHE 3 HD2 PHE 3 126.618 -5.122 -4.947 20 HD2 PHE 3 HD1 PHE 3 123.290 -3.074 -3.159 21 HE1 PHE 3 HE2 PHE 3 126.110 -4.047 -7.122 22 HE2 PHE 3 HE1 PHE 3 122.782 -2.000 -5.336 23 HZ PHE 3 HZ PHE 3 124.192 -2.487 -7.318 24 H LEU 4 HN LEU 4 126.978 -2.611 -0.696 25 HA LEU 4 HA LEU 4 126.646 -4.099 1.821 26 1HB LEU 4 HB2 LEU 4 129.078 -4.325 1.279 27 2HB LEU 4 HB1 LEU 4 129.206 -2.567 1.275 28 HG LEU 4 HG LEU 4 128.081 -2.798 3.661 29 1HD1 LEU 4 HD11 LEU 4 129.044 -5.542 2.977 30 2HD1 LEU 4 HD13 LEU 4 129.316 -4.966 4.621 31 3HD1 LEU 4 HD12 LEU 4 127.677 -5.049 3.978 32 1HD2 LEU 4 HD23 LEU 4 130.985 -3.449 3.066 33 2HD2 LEU 4 HD22 LEU 4 130.296 -1.838 3.265 34 3HD2 LEU 4 HD21 LEU 4 130.374 -2.940 4.640 35 H TRP 5 HN TRP 5 125.182 -2.812 2.839 36 HA TRP 5 HA TRP 5 125.817 0.034 3.221 37 1HB TRP 5 HB2 TRP 5 123.720 0.872 2.329 38 2HB TRP 5 HB1 TRP 5 124.529 -0.057 1.073 39 HD1 TRP 5 HD1 TRP 5 121.305 0.275 2.789 40 HE1 TRP 5 HE1 TRP 5 119.756 -1.711 2.252 41 HE3 TRP 5 HE3 TRP 5 124.670 -2.930 0.657 42 HZ2 TRP 5 HZ2 TRP 5 119.915 -4.310 1.078 43 HZ3 TRP 5 HZ3 TRP 5 123.940 -5.153 -0.156 44 HH2 TRP 5 HH2 TRP 5 121.570 -5.846 0.049 45 H ALA 6 HN ALA 6 124.278 1.037 4.825 46 HA ALA 6 HA ALA 6 123.188 -1.056 6.669 47 1HB ALA 6 HB3 ALA 6 124.523 1.597 7.258 48 2HB ALA 6 HB2 ALA 6 123.616 0.695 8.471 49 3HB ALA 6 HB1 ALA 6 125.060 -0.010 7.745 50 H GLN 7 HN GLN 7 121.081 -0.775 7.382 51 HA GLN 7 HA GLN 7 119.726 1.811 6.910 52 1HB GLN 7 HB2 GLN 7 117.845 0.669 5.715 53 2HB GLN 7 HB1 GLN 7 119.354 0.653 4.803 54 1HG GLN 7 HG2 GLN 7 119.684 -1.614 5.118 55 2HG GLN 7 HG1 GLN 7 118.802 -1.637 6.646 56 1HE2 GLN 7 HE22 GLN 7 115.901 -2.801 5.048 57 2HE2 GLN 7 HE21 GLN 7 116.897 -2.808 6.422 58 H ASP 8 HN ASP 8 117.269 1.449 7.642 59 HA ASP 8 HA ASP 8 117.348 -0.180 10.151 60 1HB ASP 8 HB2 ASP 8 115.833 1.539 11.134 61 2HB ASP 8 HB1 ASP 8 117.397 2.211 10.671 62 H ARG 9 HN ARG 9 114.739 -0.109 10.901 63 HA ARG 9 HA ARG 9 113.491 -2.020 9.207 64 1HB ARG 9 HB2 ARG 9 111.469 -1.638 10.590 65 2HB ARG 9 HB1 ARG 9 112.916 -1.812 11.581 66 1HG ARG 9 HG2 ARG 9 113.093 0.695 11.651 67 2HG ARG 9 HG1 ARG 9 111.543 0.781 10.815 68 1HD ARG 9 HD2 ARG 9 112.058 -0.505 13.512 69 2HD ARG 9 HD1 ARG 9 111.174 0.992 13.219 70 HE ARG 9 HE ARG 9 110.123 -1.694 12.900 71 1HH1 ARG 9 HH11 ARG 9 109.928 1.591 11.715 72 2HH1 ARG 9 HH12 ARG 9 108.302 1.400 11.160 73 1HH2 ARG 9 HH21 ARG 9 108.018 -1.895 12.168 74 2HH2 ARG 9 HH22 ARG 9 107.230 -0.551 11.413 75 H ASP 10 HN ASP 10 112.982 1.499 9.476 76 HA ASP 10 HA ASP 10 110.776 1.677 7.680 77 1HB ASP 10 HB2 ASP 10 112.947 3.634 8.449 78 2HB ASP 10 HB1 ASP 10 111.659 4.064 7.324 79 H GLY 11 HN GLY 11 114.280 1.720 7.088 80 1HA GLY 11 HA2 GLY 11 115.070 0.644 4.988 81 2HA GLY 11 HA1 GLY 11 113.679 1.366 4.179 82 H LEU 12 HN LEU 12 115.569 3.138 6.546 83 HA LEU 12 HA LEU 12 116.308 5.076 4.422 84 1HB LEU 12 HB2 LEU 12 115.215 5.820 6.583 85 2HB LEU 12 HB1 LEU 12 116.692 5.334 7.416 86 HG LEU 12 HG LEU 12 117.868 6.831 5.601 87 1HD1 LEU 12 HD12 LEU 12 115.569 7.136 4.458 88 2HD1 LEU 12 HD11 LEU 12 115.209 8.250 5.776 89 3HD1 LEU 12 HD13 LEU 12 116.557 8.579 4.687 90 1HD2 LEU 12 HD23 LEU 12 116.270 7.959 7.922 91 2HD2 LEU 12 HD22 LEU 12 117.903 7.298 8.005 92 3HD2 LEU 12 HD21 LEU 12 117.601 8.792 7.118 93 H ILE 13 HN ILE 13 118.412 5.325 3.752 94 HA ILE 13 HA ILE 13 120.451 3.583 5.061 95 HB ILE 13 HB ILE 13 121.719 3.891 2.919 96 1HG1 ILE 13 HG12 ILE 13 119.154 5.143 1.904 97 2HG1 ILE 13 HG11 ILE 13 120.550 6.100 2.403 98 1HG2 ILE 13 HG23 ILE 13 120.189 1.961 3.298 99 2HG2 ILE 13 HG22 ILE 13 118.877 2.889 2.572 100 3HG2 ILE 13 HG21 ILE 13 120.273 2.426 1.599 101 1HD1 ILE 13 HD13 ILE 13 120.769 3.878 0.365 102 2HD1 ILE 13 HD12 ILE 13 120.399 5.541 -0.093 103 3HD1 ILE 13 HD11 ILE 13 121.929 5.164 0.700 104 H GLY 14 HN GLY 14 119.709 6.907 4.208 105 1HA GLY 14 HA2 GLY 14 121.775 7.869 6.029 106 2HA GLY 14 HA1 GLY 14 122.130 8.223 4.339 107 H LYS 15 HN LYS 15 121.879 10.447 5.652 108 HA LYS 15 HA LYS 15 119.215 11.493 4.869 109 1HB LYS 15 HB2 LYS 15 119.167 10.903 7.328 110 2HB LYS 15 HB1 LYS 15 120.443 12.096 7.574 111 1HG LYS 15 HG2 LYS 15 118.985 13.845 6.603 112 2HG LYS 15 HG1 LYS 15 117.702 12.650 6.398 113 1HD LYS 15 HD2 LYS 15 117.352 12.436 8.703 114 2HD LYS 15 HD1 LYS 15 118.955 13.055 9.102 115 1HE LYS 15 HE2 LYS 15 116.960 14.817 7.699 116 2HE LYS 15 HE1 LYS 15 116.892 14.616 9.450 117 1HZ LYS 15 HZ2 LYS 15 119.370 15.370 8.011 118 2HZ LYS 15 HZ1 LYS 15 118.279 16.517 8.627 119 3HZ LYS 15 HZ3 LYS 15 119.069 15.449 9.681 120 H ASP 16 HN ASP 16 119.829 13.005 3.393 121 HA ASP 16 HA ASP 16 120.910 14.861 2.454 122 1HB ASP 16 HB2 ASP 16 121.024 15.335 5.395 123 2HB ASP 16 HB1 ASP 16 122.068 16.330 4.380 124 H GLY 17 HN GLY 17 122.381 12.306 2.883 125 1HA GLY 17 HA2 GLY 17 124.580 11.800 2.024 126 2HA GLY 17 HA1 GLY 17 125.110 13.412 2.509 127 H HIS 18 HN HIS 18 124.230 13.454 5.165 128 HA HIS 18 HA HIS 18 126.199 11.623 6.389 129 1HB HIS 18 HB2 HIS 18 125.736 12.964 8.457 130 2HB HIS 18 HB1 HIS 18 126.285 13.946 7.100 131 HD1 HIS 18 HD1 HIS 18 123.157 13.062 9.032 132 HD2 HIS 18 HD2 HIS 18 124.397 15.804 6.148 133 HE1 HIS 18 HE1 HIS 18 121.282 14.748 8.793 134 H LEU 19 HN LEU 19 125.626 10.272 8.223 135 HA LEU 19 HA LEU 19 123.018 8.997 7.890 136 1HB LEU 19 HB2 LEU 19 125.303 8.484 9.814 137 2HB LEU 19 HB1 LEU 19 123.846 7.493 9.724 138 HG LEU 19 HG LEU 19 125.361 8.031 7.198 139 1HD1 LEU 19 HD11 LEU 19 126.144 5.990 9.303 140 2HD1 LEU 19 HD13 LEU 19 126.778 6.039 7.658 141 3HD1 LEU 19 HD12 LEU 19 127.117 7.363 8.772 142 1HD2 LEU 19 HD21 LEU 19 123.584 5.884 8.349 143 2HD2 LEU 19 HD23 LEU 19 123.382 6.801 6.857 144 3HD2 LEU 19 HD22 LEU 19 124.612 5.542 6.957 145 HA PRO 20 HA PRO 20 120.954 11.204 11.170 146 1HB PRO 20 HB2 PRO 20 118.979 9.296 11.672 147 2HB PRO 20 HB1 PRO 20 118.910 10.549 10.425 148 1HG PRO 20 HG2 PRO 20 119.170 7.703 10.092 149 2HG PRO 20 HG1 PRO 20 118.992 8.951 8.850 150 1HD PRO 20 HD2 PRO 20 121.390 7.521 9.665 151 2HD PRO 20 HD1 PRO 20 121.145 8.591 8.275 152 H TRP 21 HN TRP 21 121.777 7.790 11.667 153 HA TRP 21 HA TRP 21 121.786 8.243 14.615 154 1HB TRP 21 HB2 TRP 21 121.956 5.750 14.747 155 2HB TRP 21 HB1 TRP 21 120.506 6.293 13.903 156 HD1 TRP 21 HD1 TRP 21 124.026 4.913 13.183 157 HE1 TRP 21 HE1 TRP 21 123.994 3.762 10.877 158 HE3 TRP 21 HE3 TRP 21 119.283 6.073 11.685 159 HZ2 TRP 21 HZ2 TRP 21 122.195 3.384 8.686 160 HZ3 TRP 21 HZ3 TRP 21 118.437 5.305 9.485 161 HH2 TRP 21 HH2 TRP 21 119.886 3.963 7.986 162 H HIS 22 HN HIS 22 123.642 6.501 15.505 163 HA HIS 22 HA HIS 22 126.157 6.903 13.999 164 1HB HIS 22 HB2 HIS 22 125.850 8.909 15.492 165 2HB HIS 22 HB1 HIS 22 125.874 7.816 16.876 166 HD1 HIS 22 HD1 HIS 22 128.076 8.413 13.803 167 HD2 HIS 22 HD2 HIS 22 128.427 7.541 17.865 168 HE1 HIS 22 HE1 HIS 22 130.557 8.310 14.302 169 H LEU 23 HN LEU 23 126.813 4.804 13.897 170 HA LEU 23 HA LEU 23 126.896 3.260 16.453 171 1HB LEU 23 HB2 LEU 23 125.116 2.602 14.616 172 2HB LEU 23 HB1 LEU 23 126.509 1.858 13.832 173 HG LEU 23 HG LEU 23 126.997 0.720 16.061 174 1HD1 LEU 23 HD13 LEU 23 124.293 1.942 16.611 175 2HD1 LEU 23 HD12 LEU 23 124.822 0.481 17.444 176 3HD1 LEU 23 HD11 LEU 23 125.739 1.976 17.620 177 1HD2 LEU 23 HD21 LEU 23 124.506 0.158 14.440 178 2HD2 LEU 23 HD23 LEU 23 126.078 -0.635 14.335 179 3HD2 LEU 23 HD22 LEU 23 125.037 -0.921 15.730 180 HA PRO 24 HA PRO 24 131.200 3.077 15.000 181 1HB PRO 24 HB2 PRO 24 132.151 2.127 17.453 182 2HB PRO 24 HB1 PRO 24 132.045 3.825 16.972 183 1HG PRO 24 HG2 PRO 24 130.525 2.450 18.976 184 2HG PRO 24 HG1 PRO 24 130.460 4.160 18.525 185 1HD PRO 24 HD2 PRO 24 128.608 2.010 17.839 186 2HD PRO 24 HD1 PRO 24 128.406 3.761 17.659 187 H ASP 25 HN ASP 25 129.376 0.546 16.628 188 HA ASP 25 HA ASP 25 131.219 -1.610 16.203 189 1HB ASP 25 HB2 ASP 25 129.144 -1.596 17.704 190 2HB ASP 25 HB1 ASP 25 128.206 -1.872 16.236 191 H ASP 26 HN ASP 26 128.685 -0.177 14.193 192 HA ASP 26 HA ASP 26 128.808 -2.203 12.125 193 1HB ASP 26 HB2 ASP 26 126.870 -0.633 12.494 194 2HB ASP 26 HB1 ASP 26 127.876 0.670 11.860 195 H LEU 27 HN LEU 27 130.518 0.803 12.775 196 HA LEU 27 HA LEU 27 131.725 1.095 10.178 197 1HB LEU 27 HB2 LEU 27 132.339 2.139 12.933 198 2HB LEU 27 HB1 LEU 27 133.491 2.389 11.620 199 HG LEU 27 HG LEU 27 130.598 3.027 11.154 200 1HD1 LEU 27 HD11 LEU 27 132.589 4.820 12.580 201 2HD1 LEU 27 HD13 LEU 27 131.005 5.326 11.991 202 3HD1 LEU 27 HD12 LEU 27 131.125 4.133 13.285 203 1HD2 LEU 27 HD23 LEU 27 133.260 4.113 10.186 204 2HD2 LEU 27 HD22 LEU 27 132.106 3.151 9.260 205 3HD2 LEU 27 HD21 LEU 27 131.699 4.800 9.736 206 H HIS 28 HN HIS 28 132.549 -0.766 13.050 207 HA HIS 28 HA HIS 28 135.246 -1.420 12.322 208 1HB HIS 28 HB2 HIS 28 133.256 -3.006 13.975 209 2HB HIS 28 HB1 HIS 28 134.998 -3.281 13.929 210 HD1 HIS 28 HD1 HIS 28 135.830 -0.237 13.922 211 HD2 HIS 28 HD2 HIS 28 133.145 -1.979 16.595 212 HE1 HIS 28 HE1 HIS 28 135.797 1.247 15.975 213 H TYR 29 HN TYR 29 132.119 -2.893 11.555 214 HA TYR 29 HA TYR 29 133.252 -5.210 10.227 215 1HB TYR 29 HB2 TYR 29 130.894 -5.029 11.166 216 2HB TYR 29 HB1 TYR 29 130.506 -4.016 9.776 217 HD1 TYR 29 HD1 TYR 29 132.143 -7.303 10.564 218 HD2 TYR 29 HD2 TYR 29 129.706 -5.043 7.842 219 HE1 TYR 29 HE1 TYR 29 131.812 -9.331 9.175 220 HE2 TYR 29 HE2 TYR 29 129.377 -7.070 6.454 221 HH TYR 29 HH TYR 29 131.255 -9.772 6.674 222 H PHE 30 HN PHE 30 132.327 -1.962 9.241 223 HA PHE 30 HA PHE 30 132.344 -2.383 6.408 224 1HB PHE 30 HB2 PHE 30 131.454 -0.339 7.579 225 2HB PHE 30 HB1 PHE 30 133.121 0.148 7.885 226 HD1 PHE 30 HD1 PHE 30 130.774 -0.791 5.129 227 HD2 PHE 30 HD2 PHE 30 134.347 1.313 6.248 228 HE1 PHE 30 HE1 PHE 30 130.909 0.190 2.855 229 HE2 PHE 30 HE2 PHE 30 134.482 2.295 3.975 230 HZ PHE 30 HZ PHE 30 132.762 1.734 2.279 231 H ARG 31 HN ARG 31 134.906 -1.464 8.699 232 HA ARG 31 HA ARG 31 136.970 -1.066 6.757 233 1HB ARG 31 HB2 ARG 31 136.916 -0.527 9.319 234 2HB ARG 31 HB1 ARG 31 137.528 -2.171 9.500 235 1HG ARG 31 HG2 ARG 31 139.255 -1.451 7.666 236 2HG ARG 31 HG1 ARG 31 138.821 0.188 8.156 237 1HD ARG 31 HD2 ARG 31 140.601 -0.279 9.595 238 2HD ARG 31 HD1 ARG 31 139.213 -0.729 10.586 239 HE ARG 31 HE ARG 31 140.023 -3.024 9.118 240 1HH1 ARG 31 HH21 ARG 31 141.189 -0.935 11.668 241 2HH1 ARG 31 HH22 ARG 31 142.127 -2.188 12.404 242 1HH2 ARG 31 HH11 ARG 31 141.249 -4.615 10.103 243 2HH2 ARG 31 HH12 ARG 31 142.162 -4.250 11.529 244 H ALA 32 HN ALA 32 135.664 -3.951 8.282 245 HA ALA 32 HA ALA 32 137.816 -5.718 7.477 246 1HB ALA 32 HB3 ALA 32 136.065 -6.124 9.313 247 2HB ALA 32 HB2 ALA 32 134.958 -6.545 8.007 248 3HB ALA 32 HB1 ALA 32 136.427 -7.488 8.255 249 H GLN 33 HN GLN 33 134.863 -4.556 5.973 250 HA GLN 33 HA GLN 33 135.285 -6.402 3.672 251 1HB GLN 33 HB2 GLN 33 132.960 -4.583 4.377 252 2HB GLN 33 HB1 GLN 33 133.030 -5.619 2.951 253 1HG GLN 33 HG2 GLN 33 133.495 -6.814 5.667 254 2HG GLN 33 HG1 GLN 33 131.846 -6.497 5.127 255 1HE2 GLN 33 HE22 GLN 33 131.793 -9.431 3.202 256 2HE2 GLN 33 HE21 GLN 33 130.942 -8.297 4.135 257 H THR 34 HN THR 34 137.150 -4.283 4.044 258 HA THR 34 HA THR 34 136.738 -2.838 1.500 259 HB THR 34 HB THR 34 137.454 -0.674 2.685 260 HG1 THR 34 HG1 THR 34 136.453 -2.104 4.915 261 1HG2 THR 34 HG23 THR 34 135.119 -1.300 1.855 262 2HG2 THR 34 HG22 THR 34 134.752 -1.729 3.526 263 3HG2 THR 34 HG21 THR 34 135.191 -0.070 3.118 264 H VAL 35 HN VAL 35 138.860 -3.302 4.334 265 HA VAL 35 HA VAL 35 141.286 -2.469 3.102 266 HB VAL 35 HB VAL 35 142.400 -3.859 4.851 267 1HG1 VAL 35 HG11 VAL 35 141.422 -1.557 5.280 268 2HG1 VAL 35 HG13 VAL 35 140.008 -2.366 5.958 269 3HG1 VAL 35 HG12 VAL 35 141.590 -2.572 6.712 270 1HG2 VAL 35 HG23 VAL 35 139.665 -5.016 4.948 271 2HG2 VAL 35 HG22 VAL 35 141.218 -5.768 5.303 272 3HG2 VAL 35 HG21 VAL 35 140.440 -4.746 6.510 273 H GLY 36 HN GLY 36 142.386 -3.368 1.447 274 1HA GLY 36 HA2 GLY 36 143.424 -5.099 0.191 275 2HA GLY 36 HA1 GLY 36 142.549 -6.288 1.155 276 H LYS 37 HN LYS 37 140.689 -3.688 -0.204 277 HA LYS 37 HA LYS 37 139.906 -5.334 -2.549 278 1HB LYS 37 HB2 LYS 37 137.941 -4.271 -0.492 279 2HB LYS 37 HB1 LYS 37 137.507 -5.059 -2.007 280 1HG LYS 37 HG2 LYS 37 139.194 -6.366 0.146 281 2HG LYS 37 HG1 LYS 37 137.453 -6.590 -0.008 282 1HD LYS 37 HD2 LYS 37 137.745 -7.489 -2.274 283 2HD LYS 37 HD1 LYS 37 139.486 -7.229 -2.167 284 1HE LYS 37 HE2 LYS 37 139.219 -9.510 -1.608 285 2HE LYS 37 HE1 LYS 37 139.382 -8.705 -0.047 286 1HZ LYS 37 HZ3 LYS 37 136.789 -9.347 -1.341 287 2HZ LYS 37 HZ2 LYS 37 137.523 -10.297 -0.140 288 3HZ LYS 37 HZ1 LYS 37 137.017 -8.715 0.217 289 H ILE 38 HN ILE 38 137.997 -3.896 -3.680 290 HA ILE 38 HA ILE 38 139.208 -1.184 -3.971 291 HB ILE 38 HB ILE 38 137.300 -2.623 -5.840 292 1HG1 ILE 38 HG12 ILE 38 140.303 -2.285 -6.104 293 2HG1 ILE 38 HG11 ILE 38 139.537 -3.763 -5.522 294 1HG2 ILE 38 HG22 ILE 38 138.798 -0.025 -5.886 295 2HG2 ILE 38 HG21 ILE 38 138.521 -0.878 -7.406 296 3HG2 ILE 38 HG23 ILE 38 137.152 -0.374 -6.415 297 1HD1 ILE 38 HD11 ILE 38 138.597 -2.578 -8.109 298 2HD1 ILE 38 HD13 ILE 38 140.111 -3.482 -8.089 299 3HD1 ILE 38 HD12 ILE 38 138.611 -4.264 -7.592 300 H MET 39 HN MET 39 138.145 0.121 -2.516 301 HA MET 39 HA MET 39 135.302 -0.165 -1.949 302 1HB MET 39 HB2 MET 39 137.210 0.796 -0.432 303 2HB MET 39 HB1 MET 39 136.899 2.300 -1.300 304 1HG MET 39 HG2 MET 39 134.454 2.026 -0.713 305 2HG MET 39 HG1 MET 39 134.924 0.687 0.333 306 1HE MET 39 HE3 MET 39 135.333 4.129 -0.760 307 2HE MET 39 HE2 MET 39 134.215 4.561 0.532 308 3HE MET 39 HE1 MET 39 135.889 5.104 0.608 309 H VAL 40 HN VAL 40 133.904 0.345 -3.577 310 HA VAL 40 HA VAL 40 134.495 2.682 -5.318 311 HB VAL 40 HB VAL 40 132.260 0.642 -5.540 312 1HG1 VAL 40 HG11 VAL 40 133.317 2.851 -7.305 313 2HG1 VAL 40 HG13 VAL 40 132.425 1.489 -7.981 314 3HG1 VAL 40 HG12 VAL 40 131.654 2.548 -6.802 315 1HG2 VAL 40 HG23 VAL 40 135.074 0.717 -6.633 316 2HG2 VAL 40 HG22 VAL 40 134.246 -0.612 -5.822 317 3HG2 VAL 40 HG21 VAL 40 133.795 -0.167 -7.469 318 H VAL 41 HN VAL 41 133.512 4.595 -4.912 319 HA VAL 41 HA VAL 41 130.824 4.634 -3.669 320 HB VAL 41 HB VAL 41 131.590 6.357 -2.012 321 1HG1 VAL 41 HG12 VAL 41 131.432 3.790 -1.619 322 2HG1 VAL 41 HG11 VAL 41 133.195 3.835 -1.635 323 3HG1 VAL 41 HG13 VAL 41 132.299 4.763 -0.432 324 1HG2 VAL 41 HG21 VAL 41 134.304 5.492 -3.052 325 2HG2 VAL 41 HG23 VAL 41 133.620 7.117 -3.102 326 3HG2 VAL 41 HG22 VAL 41 134.069 6.396 -1.557 327 H GLY 42 HN GLY 42 129.755 6.708 -3.964 328 1HA GLY 42 HA2 GLY 42 130.617 8.057 -6.425 329 2HA GLY 42 HA1 GLY 42 129.120 8.365 -5.544 330 H ARG 43 HN ARG 43 129.734 10.677 -5.923 331 HA ARG 43 HA ARG 43 132.026 11.712 -4.403 332 1HB ARG 43 HB2 ARG 43 131.195 12.683 -6.607 333 2HB ARG 43 HB1 ARG 43 129.809 13.305 -5.711 334 1HG ARG 43 HG2 ARG 43 131.429 14.439 -4.146 335 2HG ARG 43 HG1 ARG 43 132.729 13.961 -5.240 336 1HD ARG 43 HD2 ARG 43 132.123 16.180 -5.886 337 2HD ARG 43 HD1 ARG 43 131.404 15.117 -7.095 338 HE ARG 43 HE ARG 43 129.276 15.775 -6.332 339 1HH1 ARG 43 HH21 ARG 43 131.713 16.603 -3.963 340 2HH1 ARG 43 HH22 ARG 43 130.598 17.477 -2.973 341 1HH2 ARG 43 HH11 ARG 43 127.868 16.916 -5.021 342 2HH2 ARG 43 HH12 ARG 43 128.443 17.654 -3.564 343 H ARG 44 HN ARG 44 128.532 11.456 -4.058 344 HA ARG 44 HA ARG 44 128.255 13.266 -1.840 345 1HB ARG 44 HB2 ARG 44 126.430 12.159 -3.358 346 2HB ARG 44 HB1 ARG 44 126.509 10.839 -2.191 347 1HG ARG 44 HG2 ARG 44 125.595 12.093 -0.498 348 2HG ARG 44 HG1 ARG 44 126.315 13.593 -1.079 349 1HD ARG 44 HD2 ARG 44 124.263 12.331 -2.828 350 2HD ARG 44 HD1 ARG 44 123.688 13.071 -1.334 351 HE ARG 44 HE ARG 44 124.642 14.492 -3.661 352 1HH1 ARG 44 HH11 ARG 44 124.560 14.576 -0.165 353 2HH1 ARG 44 HH12 ARG 44 124.699 16.298 -0.103 354 1HH2 ARG 44 HH21 ARG 44 124.821 16.718 -3.533 355 2HH2 ARG 44 HH22 ARG 44 124.845 17.500 -1.988 356 H THR 45 HN THR 45 129.192 9.887 -2.105 357 HA THR 45 HA THR 45 129.118 9.527 0.828 358 HB THR 45 HB THR 45 130.227 7.565 -1.183 359 HG1 THR 45 HG1 THR 45 127.527 7.906 -0.388 360 1HG2 THR 45 HG22 THR 45 130.535 7.154 1.256 361 2HG2 THR 45 HG21 THR 45 128.784 7.208 1.457 362 3HG2 THR 45 HG23 THR 45 129.521 5.933 0.487 363 H TYR 46 HN TYR 46 131.435 10.046 -1.769 364 HA TYR 46 HA TYR 46 133.818 9.381 -0.333 365 1HB TYR 46 HB2 TYR 46 133.658 9.788 -2.816 366 2HB TYR 46 HB1 TYR 46 133.521 11.512 -2.468 367 HD1 TYR 46 HD2 TYR 46 135.677 8.602 -1.459 368 HD2 TYR 46 HD1 TYR 46 135.482 12.758 -2.527 369 HE1 TYR 46 HE2 TYR 46 138.144 8.764 -1.276 370 HE2 TYR 46 HE1 TYR 46 137.950 12.919 -2.344 371 HH TYR 46 HH TYR 46 139.787 11.688 -1.129 372 H GLU 47 HN GLU 47 131.838 12.298 -0.445 373 HA GLU 47 HA GLU 47 133.760 13.871 1.113 374 1HB GLU 47 HB2 GLU 47 130.952 14.353 0.109 375 2HB GLU 47 HB1 GLU 47 131.739 15.478 1.217 376 1HG GLU 47 HG2 GLU 47 133.247 14.591 -1.213 377 2HG GLU 47 HG1 GLU 47 131.963 15.785 -1.410 378 H SER 48 HN SER 48 130.996 11.819 1.739 379 HA SER 48 HA SER 48 130.299 12.780 4.337 380 1HB SER 48 HB2 SER 48 128.988 11.128 2.926 381 2HB SER 48 HB1 SER 48 130.158 9.901 3.404 382 HG SER 48 HG SER 48 128.150 10.207 4.720 383 H PHE 49 HN PHE 49 132.884 10.676 3.215 384 HA PHE 49 HA PHE 49 133.606 9.542 5.740 385 1HB PHE 49 HB2 PHE 49 135.407 10.195 3.388 386 2HB PHE 49 HB1 PHE 49 135.769 9.060 4.690 387 HD1 PHE 49 HD1 PHE 49 133.577 7.408 5.128 388 HD2 PHE 49 HD2 PHE 49 134.787 9.167 1.401 389 HE1 PHE 49 HE1 PHE 49 132.389 5.614 3.896 390 HE2 PHE 49 HE2 PHE 49 133.598 7.373 0.168 391 HZ PHE 49 HZ PHE 49 132.398 5.596 1.416 392 HA PRO 50 HA PRO 50 135.574 13.009 7.736 393 1HB PRO 50 HB2 PRO 50 137.238 11.552 9.434 394 2HB PRO 50 HB1 PRO 50 135.544 11.952 9.749 395 1HG PRO 50 HG2 PRO 50 136.704 9.377 9.193 396 2HG PRO 50 HG1 PRO 50 135.034 9.769 9.626 397 1HD PRO 50 HD2 PRO 50 136.131 9.113 7.014 398 2HD PRO 50 HD1 PRO 50 134.437 9.277 7.503 399 H LYS 51 HN LYS 51 137.956 10.368 7.267 400 HA LYS 51 HA LYS 51 139.965 12.410 6.458 401 1HB LYS 51 HB2 LYS 51 140.465 10.645 8.238 402 2HB LYS 51 HB1 LYS 51 140.436 9.458 6.933 403 1HG LYS 51 HG2 LYS 51 142.657 9.959 6.771 404 2HG LYS 51 HG1 LYS 51 142.075 11.342 5.846 405 1HD LYS 51 HD2 LYS 51 143.370 12.451 7.404 406 2HD LYS 51 HD1 LYS 51 141.839 12.409 8.280 407 1HE LYS 51 HE2 LYS 51 142.736 10.082 9.136 408 2HE LYS 51 HE1 LYS 51 144.307 10.755 8.701 409 1HZ LYS 51 HZ1 LYS 51 142.356 12.203 10.395 410 2HZ LYS 51 HZ3 LYS 51 143.543 11.177 11.039 411 3HZ LYS 51 HZ2 LYS 51 144.001 12.557 10.161 412 H ARG 52 HN ARG 52 139.445 12.813 4.292 413 HA ARG 52 HA ARG 52 139.201 10.483 2.467 414 1HB ARG 52 HB2 ARG 52 138.820 13.431 1.865 415 2HB ARG 52 HB1 ARG 52 138.385 12.079 0.819 416 1HG ARG 52 HG2 ARG 52 136.690 11.333 2.350 417 2HG ARG 52 HG1 ARG 52 137.240 12.454 3.596 418 1HD ARG 52 HD2 ARG 52 136.089 13.262 0.909 419 2HD ARG 52 HD1 ARG 52 135.214 13.299 2.440 420 HE ARG 52 HE ARG 52 137.213 15.231 1.555 421 1HH1 ARG 52 HH11 ARG 52 135.665 13.756 4.324 422 2HH1 ARG 52 HH12 ARG 52 136.012 15.097 5.359 423 1HH2 ARG 52 HH21 ARG 52 137.644 16.941 2.930 424 2HH2 ARG 52 HH22 ARG 52 137.120 16.883 4.580 425 HA PRO 53 HA PRO 53 139.692 9.562 0.756 426 1HB PRO 53 HB2 PRO 53 141.689 7.891 -0.245 427 2HB PRO 53 HB1 PRO 53 140.755 9.057 -1.194 428 1HG PRO 53 HG2 PRO 53 143.544 9.136 -0.541 429 2HG PRO 53 HG1 PRO 53 142.611 10.280 -1.516 430 1HD PRO 53 HD2 PRO 53 143.508 10.524 1.265 431 2HD PRO 53 HD1 PRO 53 142.915 11.779 0.163 432 H LEU 54 HN LEU 54 139.715 7.133 1.314 433 HA LEU 54 HA LEU 54 140.628 6.832 4.079 434 1HB LEU 54 HB2 LEU 54 139.091 5.023 2.201 435 2HB LEU 54 HB1 LEU 54 139.514 4.563 3.851 436 HG LEU 54 HG LEU 54 138.047 7.133 3.234 437 1HD1 LEU 54 HD13 LEU 54 136.807 5.086 2.393 438 2HD1 LEU 54 HD12 LEU 54 136.785 4.504 4.057 439 3HD1 LEU 54 HD11 LEU 54 135.959 6.004 3.637 440 1HD2 LEU 54 HD21 LEU 54 139.166 6.883 5.442 441 2HD2 LEU 54 HD23 LEU 54 137.410 6.950 5.599 442 3HD2 LEU 54 HD22 LEU 54 138.247 5.403 5.721 443 HA PRO 55 HA PRO 55 144.425 4.800 2.702 444 1HB PRO 55 HB2 PRO 55 145.398 4.399 5.287 445 2HB PRO 55 HB1 PRO 55 145.678 5.833 4.290 446 1HG PRO 55 HG2 PRO 55 144.097 5.594 6.682 447 2HG PRO 55 HG1 PRO 55 144.474 7.047 5.744 448 1HD PRO 55 HD2 PRO 55 142.005 5.516 5.809 449 2HD PRO 55 HD1 PRO 55 142.324 7.088 5.058 450 H GLU 56 HN GLU 56 145.584 2.692 3.346 451 HA GLU 56 HA GLU 56 145.503 0.372 3.640 452 1HB GLU 56 HB2 GLU 56 144.412 1.470 5.940 453 2HB GLU 56 HB1 GLU 56 143.162 0.339 5.424 454 1HG GLU 56 HG2 GLU 56 146.096 -0.376 5.712 455 2HG GLU 56 HG1 GLU 56 144.866 -0.703 6.935 456 H ARG 57 HN ARG 57 143.812 1.733 1.598 457 HA ARG 57 HA ARG 57 142.403 -0.542 0.612 458 1HB ARG 57 HB2 ARG 57 140.066 0.286 0.862 459 2HB ARG 57 HB1 ARG 57 140.808 -0.094 2.415 460 1HG ARG 57 HG2 ARG 57 141.491 2.413 2.456 461 2HG ARG 57 HG1 ARG 57 140.269 2.613 1.201 462 1HD ARG 57 HD2 ARG 57 138.802 2.833 2.916 463 2HD ARG 57 HD1 ARG 57 138.941 1.083 3.081 464 HE ARG 57 HE ARG 57 141.039 2.473 4.523 465 1HH1 ARG 57 HH21 ARG 57 137.690 1.472 4.655 466 2HH1 ARG 57 HH22 ARG 57 137.660 1.453 6.383 467 1HH2 ARG 57 HH11 ARG 57 140.954 2.436 6.757 468 2HH2 ARG 57 HH12 ARG 57 139.486 1.993 7.563 469 H THR 58 HN THR 58 141.264 -0.034 -1.425 470 HA THR 58 HA THR 58 142.455 2.346 -2.728 471 HB THR 58 HB THR 58 140.748 0.273 -4.100 472 HG1 THR 58 HG1 THR 58 143.524 0.091 -3.557 473 1HG2 THR 58 HG22 THR 58 141.590 2.406 -5.223 474 2HG2 THR 58 HG21 THR 58 143.214 1.737 -5.058 475 3HG2 THR 58 HG23 THR 58 142.007 0.894 -6.030 476 H ASN 59 HN ASN 59 141.206 4.015 -3.598 477 HA ASN 59 HA ASN 59 138.285 3.923 -2.944 478 1HB ASN 59 HB2 ASN 59 140.293 6.172 -2.803 479 2HB ASN 59 HB1 ASN 59 138.561 6.492 -2.898 480 1HD2 ASN 59 HD22 ASN 59 139.930 4.508 0.445 481 2HD2 ASN 59 HD21 ASN 59 140.716 4.256 -1.038 482 H VAL 60 HN VAL 60 136.869 4.447 -4.577 483 HA VAL 60 HA VAL 60 138.023 5.455 -7.143 484 HB VAL 60 HB VAL 60 135.886 3.317 -6.901 485 1HG1 VAL 60 HG12 VAL 60 137.343 4.619 -9.208 486 2HG1 VAL 60 HG11 VAL 60 136.537 3.059 -9.374 487 3HG1 VAL 60 HG13 VAL 60 135.603 4.493 -8.951 488 1HG2 VAL 60 HG23 VAL 60 138.158 2.563 -6.150 489 2HG2 VAL 60 HG22 VAL 60 137.600 1.737 -7.605 490 3HG2 VAL 60 HG21 VAL 60 138.791 3.031 -7.728 491 H VAL 61 HN VAL 61 137.192 7.536 -6.944 492 HA VAL 61 HA VAL 61 134.441 8.009 -6.080 493 HB VAL 61 HB VAL 61 136.377 9.925 -7.414 494 1HG1 VAL 61 HG13 VAL 61 133.965 10.595 -7.340 495 2HG1 VAL 61 HG12 VAL 61 134.010 10.426 -5.585 496 3HG1 VAL 61 HG11 VAL 61 135.003 11.648 -6.379 497 1HG2 VAL 61 HG23 VAL 61 136.056 8.993 -4.570 498 2HG2 VAL 61 HG22 VAL 61 137.538 9.245 -5.492 499 3HG2 VAL 61 HG21 VAL 61 136.620 10.630 -4.902 500 H LEU 62 HN LEU 62 132.687 7.951 -7.388 501 HA LEU 62 HA LEU 62 133.138 8.064 -10.345 502 1HB LEU 62 HB2 LEU 62 132.268 5.883 -9.392 503 2HB LEU 62 HB1 LEU 62 130.812 6.755 -8.910 504 HG LEU 62 HG LEU 62 130.751 7.536 -11.400 505 1HD1 LEU 62 HD11 LEU 62 132.708 5.246 -11.425 506 2HD1 LEU 62 HD13 LEU 62 131.681 5.559 -12.823 507 3HD1 LEU 62 HD12 LEU 62 132.808 6.795 -12.264 508 1HD2 LEU 62 HD22 LEU 62 129.248 5.842 -10.148 509 2HD2 LEU 62 HD21 LEU 62 129.289 5.738 -11.908 510 3HD2 LEU 62 HD23 LEU 62 130.218 4.598 -10.935 511 H THR 63 HN THR 63 132.501 10.012 -11.115 512 HA THR 63 HA THR 63 129.845 11.059 -10.365 513 HB THR 63 HB THR 63 131.271 12.130 -8.705 514 HG1 THR 63 HG1 THR 63 130.854 13.974 -10.812 515 1HG2 THR 63 HG22 THR 63 132.968 12.882 -11.097 516 2HG2 THR 63 HG21 THR 63 133.173 13.574 -9.488 517 3HG2 THR 63 HG23 THR 63 133.436 11.850 -9.747 518 H HIS 64 HN HIS 64 129.229 12.894 -11.827 519 HA HIS 64 HA HIS 64 130.402 12.460 -14.523 520 1HB HIS 64 HB2 HIS 64 127.762 13.359 -13.471 521 2HB HIS 64 HB1 HIS 64 128.283 14.047 -15.009 522 HD1 HIS 64 HD1 HIS 64 127.064 10.907 -13.446 523 HD2 HIS 64 HD2 HIS 64 128.693 12.077 -17.101 524 HE1 HIS 64 HE1 HIS 64 126.655 8.998 -15.058 525 H GLN 65 HN GLN 65 131.868 14.031 -12.584 526 HA GLN 65 HA GLN 65 131.737 16.710 -13.911 527 1HB GLN 65 HB2 GLN 65 131.063 16.562 -11.416 528 2HB GLN 65 HB1 GLN 65 132.777 16.277 -11.110 529 1HG GLN 65 HG2 GLN 65 133.321 18.381 -12.314 530 2HG GLN 65 HG1 GLN 65 131.597 18.678 -12.540 531 1HE2 GLN 65 HE22 GLN 65 131.134 19.084 -8.889 532 2HE2 GLN 65 HE21 GLN 65 130.448 18.144 -10.125 533 H GLU 66 HN GLU 66 133.575 17.215 -14.989 534 HA GLU 66 HA GLU 66 135.996 15.553 -14.512 535 1HB GLU 66 HB2 GLU 66 135.157 17.359 -16.794 536 2HB GLU 66 HB1 GLU 66 136.762 16.635 -16.682 537 1HG GLU 66 HG2 GLU 66 135.330 14.416 -16.292 538 2HG GLU 66 HG1 GLU 66 134.124 15.330 -17.200 539 H ASP 67 HN ASP 67 135.258 17.661 -12.643 540 HA ASP 67 HA ASP 67 137.682 19.374 -12.951 541 1HB ASP 67 HB2 ASP 67 135.435 20.536 -13.534 542 2HB ASP 67 HB1 ASP 67 135.118 20.465 -11.800 543 H TYR 68 HN TYR 68 136.978 16.933 -11.317 544 HA TYR 68 HA TYR 68 136.952 18.025 -8.564 545 1HB TYR 68 HB2 TYR 68 135.677 15.892 -9.462 546 2HB TYR 68 HB1 TYR 68 137.229 15.103 -9.182 547 HD1 TYR 68 HD1 TYR 68 135.242 17.741 -7.386 548 HD2 TYR 68 HD2 TYR 68 137.292 13.973 -7.150 549 HE1 TYR 68 HE1 TYR 68 134.749 17.624 -4.958 550 HE2 TYR 68 HE2 TYR 68 136.799 13.857 -4.723 551 HH TYR 68 HH TYR 68 136.296 15.763 -2.857 552 H GLN 69 HN GLN 69 138.575 16.837 -7.031 553 HA GLN 69 HA GLN 69 141.185 16.318 -8.344 554 1HB GLN 69 HB2 GLN 69 140.668 18.482 -6.289 555 2HB GLN 69 HB1 GLN 69 142.280 17.866 -6.653 556 1HG GLN 69 HG2 GLN 69 141.443 18.351 -9.164 557 2HG GLN 69 HG1 GLN 69 140.480 19.560 -8.313 558 1HE2 GLN 69 HE22 GLN 69 144.365 20.291 -8.935 559 2HE2 GLN 69 HE21 GLN 69 143.512 19.051 -9.717 560 H ALA 70 HN ALA 70 140.808 14.141 -7.587 561 HA ALA 70 HA ALA 70 140.678 13.748 -4.649 562 1HB ALA 70 HB1 ALA 70 139.358 12.417 -6.529 563 2HB ALA 70 HB3 ALA 70 140.849 11.479 -6.600 564 3HB ALA 70 HB2 ALA 70 139.947 11.588 -5.088 565 H GLN 71 HN GLN 71 142.738 14.162 -3.862 566 HA GLN 71 HA GLN 71 145.109 13.103 -5.240 567 1HB GLN 71 HB2 GLN 71 144.695 14.665 -2.683 568 2HB GLN 71 HB1 GLN 71 146.278 14.057 -3.172 569 1HG GLN 71 HG2 GLN 71 146.210 15.331 -5.223 570 2HG GLN 71 HG1 GLN 71 144.536 15.804 -4.930 571 1HE2 GLN 71 HE22 GLN 71 147.554 17.824 -3.093 572 2HE2 GLN 71 HE21 GLN 71 147.879 16.473 -4.068 573 H GLY 72 HN GLY 72 145.542 10.965 -5.022 574 1HA GLY 72 HA2 GLY 72 146.424 9.206 -3.547 575 2HA GLY 72 HA1 GLY 72 145.311 9.764 -2.298 576 H ALA 73 HN ALA 73 142.985 10.015 -3.922 577 HA ALA 73 HA ALA 73 142.301 7.147 -4.207 578 1HB ALA 73 HB3 ALA 73 140.740 9.695 -3.928 579 2HB ALA 73 HB2 ALA 73 139.957 8.282 -4.634 580 3HB ALA 73 HB1 ALA 73 140.611 8.202 -2.999 581 H VAL 74 HN VAL 74 141.382 6.303 -6.149 582 HA VAL 74 HA VAL 74 142.415 7.547 -8.590 583 HB VAL 74 HB VAL 74 140.665 5.087 -8.295 584 1HG1 VAL 74 HG12 VAL 74 142.518 6.063 -10.491 585 2HG1 VAL 74 HG11 VAL 74 141.725 4.488 -10.473 586 3HG1 VAL 74 HG13 VAL 74 140.759 5.959 -10.576 587 1HG2 VAL 74 HG23 VAL 74 143.674 5.442 -8.213 588 2HG2 VAL 74 HG22 VAL 74 142.645 4.738 -6.966 589 3HG2 VAL 74 HG21 VAL 74 142.892 3.886 -8.489 590 H VAL 75 HN VAL 75 141.192 8.528 -10.200 591 HA VAL 75 HA VAL 75 138.353 9.119 -9.487 592 HB VAL 75 HB VAL 75 140.159 10.580 -11.438 593 1HG1 VAL 75 HG12 VAL 75 137.373 10.970 -10.389 594 2HG1 VAL 75 HG11 VAL 75 138.336 12.382 -10.824 595 3HG1 VAL 75 HG13 VAL 75 137.978 11.150 -12.035 596 1HG2 VAL 75 HG22 VAL 75 140.971 10.681 -9.072 597 2HG2 VAL 75 HG21 VAL 75 140.439 12.249 -9.677 598 3HG2 VAL 75 HG23 VAL 75 139.399 11.324 -8.594 599 H VAL 76 HN VAL 76 136.732 8.500 -10.874 600 HA VAL 76 HA VAL 76 137.518 7.415 -13.545 601 HB VAL 76 HB VAL 76 135.807 5.612 -13.201 602 1HG1 VAL 76 HG11 VAL 76 138.326 5.410 -12.702 603 2HG1 VAL 76 HG13 VAL 76 137.877 5.540 -11.001 604 3HG1 VAL 76 HG12 VAL 76 137.269 4.200 -11.974 605 1HG2 VAL 76 HG23 VAL 76 134.685 7.003 -11.318 606 2HG2 VAL 76 HG22 VAL 76 134.799 5.258 -11.090 607 3HG2 VAL 76 HG21 VAL 76 135.935 6.331 -10.272 608 H HIS 77 HN HIS 77 135.508 7.185 -14.975 609 HA HIS 77 HA HIS 77 133.288 9.005 -14.273 610 1HB HIS 77 HB2 HIS 77 135.035 9.455 -16.712 611 2HB HIS 77 HB1 HIS 77 133.571 10.352 -16.314 612 HD1 HIS 77 HD1 HIS 77 133.662 11.818 -14.081 613 HD2 HIS 77 HD2 HIS 77 137.335 10.337 -15.384 614 HE1 HIS 77 HE1 HIS 77 135.441 13.128 -12.845 615 H ASP 78 HN ASP 78 133.576 6.129 -14.804 616 HA ASP 78 HA ASP 78 131.310 5.738 -16.503 617 1HB ASP 78 HB2 ASP 78 132.478 4.550 -18.380 618 2HB ASP 78 HB1 ASP 78 132.808 6.283 -18.339 619 H VAL 79 HN VAL 79 130.552 3.619 -16.295 620 HA VAL 79 HA VAL 79 131.583 2.037 -14.145 621 HB VAL 79 HB VAL 79 129.746 1.155 -16.395 622 1HG1 VAL 79 HG13 VAL 79 130.518 0.036 -13.717 623 2HG1 VAL 79 HG12 VAL 79 128.894 -0.257 -14.339 624 3HG1 VAL 79 HG11 VAL 79 130.300 -0.803 -15.253 625 1HG2 VAL 79 HG23 VAL 79 129.234 3.273 -14.833 626 2HG2 VAL 79 HG22 VAL 79 127.970 2.133 -15.289 627 3HG2 VAL 79 HG21 VAL 79 128.746 2.004 -13.711 628 H ALA 80 HN ALA 80 132.160 2.010 -17.612 629 HA ALA 80 HA ALA 80 133.379 -0.573 -17.805 630 1HB ALA 80 HB3 ALA 80 132.660 1.058 -19.693 631 2HB ALA 80 HB2 ALA 80 134.242 1.800 -19.455 632 3HB ALA 80 HB1 ALA 80 134.125 0.107 -19.938 633 H ALA 81 HN ALA 81 134.617 2.591 -16.848 634 HA ALA 81 HA ALA 81 137.405 1.771 -16.802 635 1HB ALA 81 HB2 ALA 81 135.909 4.118 -15.613 636 2HB ALA 81 HB1 ALA 81 137.644 3.890 -15.392 637 3HB ALA 81 HB3 ALA 81 136.983 4.116 -17.012 638 H VAL 82 HN VAL 82 134.812 2.025 -14.384 639 HA VAL 82 HA VAL 82 136.406 1.393 -12.094 640 HB VAL 82 HB VAL 82 133.481 0.726 -12.542 641 1HG1 VAL 82 HG11 VAL 82 135.277 0.965 -10.134 642 2HG1 VAL 82 HG13 VAL 82 133.541 1.238 -9.987 643 3HG1 VAL 82 HG12 VAL 82 134.144 -0.323 -10.542 644 1HG2 VAL 82 HG23 VAL 82 134.877 3.277 -11.697 645 2HG2 VAL 82 HG22 VAL 82 133.731 3.057 -13.020 646 3HG2 VAL 82 HG21 VAL 82 133.175 2.969 -11.349 647 H PHE 83 HN PHE 83 134.724 -0.635 -14.462 648 HA PHE 83 HA PHE 83 135.364 -3.114 -13.045 649 1HB PHE 83 HB2 PHE 83 133.985 -2.367 -15.584 650 2HB PHE 83 HB1 PHE 83 134.666 -3.991 -15.480 651 HD1 PHE 83 HD2 PHE 83 134.249 -5.093 -13.008 652 HD2 PHE 83 HD1 PHE 83 131.762 -2.173 -14.939 653 HE1 PHE 83 HE2 PHE 83 132.325 -5.812 -11.618 654 HE2 PHE 83 HE1 PHE 83 129.837 -2.892 -13.549 655 HZ PHE 83 HZ PHE 83 130.120 -4.712 -11.888 656 H ALA 84 HN ALA 84 136.747 -1.185 -15.637 657 HA ALA 84 HA ALA 84 138.557 -3.139 -16.683 658 1HB ALA 84 HB2 ALA 84 138.741 -0.116 -16.558 659 2HB ALA 84 HB1 ALA 84 139.863 -1.131 -17.464 660 3HB ALA 84 HB3 ALA 84 138.156 -1.087 -17.909 661 H TYR 85 HN TYR 85 138.731 -0.967 -13.909 662 HA TYR 85 HA TYR 85 141.535 -1.389 -13.359 663 1HB TYR 85 HB2 TYR 85 140.094 0.502 -12.459 664 2HB TYR 85 HB1 TYR 85 139.383 -0.673 -11.351 665 HD1 TYR 85 HD2 TYR 85 142.722 0.590 -12.501 666 HD2 TYR 85 HD1 TYR 85 140.404 -1.065 -9.285 667 HE1 TYR 85 HE2 TYR 85 144.653 0.864 -10.968 668 HE2 TYR 85 HE1 TYR 85 142.336 -0.791 -7.753 669 HH TYR 85 HH TYR 85 144.914 1.139 -8.374 670 H ALA 86 HN ALA 86 138.553 -3.016 -12.372 671 HA ALA 86 HA ALA 86 139.796 -4.734 -10.408 672 1HB ALA 86 HB2 ALA 86 137.225 -5.054 -11.988 673 2HB ALA 86 HB1 ALA 86 137.696 -6.067 -10.624 674 3HB ALA 86 HB3 ALA 86 137.382 -4.349 -10.379 675 H LYS 87 HN LYS 87 139.336 -4.900 -13.888 676 HA LYS 87 HA LYS 87 139.866 -7.687 -14.249 677 1HB LYS 87 HB2 LYS 87 138.982 -6.041 -15.986 678 2HB LYS 87 HB1 LYS 87 140.645 -5.487 -16.176 679 1HG LYS 87 HG2 LYS 87 141.179 -8.036 -16.478 680 2HG LYS 87 HG1 LYS 87 139.460 -8.166 -16.846 681 1HD LYS 87 HD2 LYS 87 141.177 -6.088 -18.196 682 2HD LYS 87 HD1 LYS 87 141.090 -7.736 -18.819 683 1HE LYS 87 HE2 LYS 87 138.522 -7.433 -18.699 684 2HE LYS 87 HE1 LYS 87 138.871 -5.710 -18.564 685 1HZ LYS 87 HZ1 LYS 87 140.147 -5.854 -20.619 686 2HZ LYS 87 HZ3 LYS 87 139.771 -7.501 -20.754 687 3HZ LYS 87 HZ2 LYS 87 138.537 -6.339 -20.860 688 H GLN 88 HN GLN 88 142.018 -4.855 -14.133 689 HA GLN 88 HA GLN 88 144.437 -6.312 -14.698 690 1HB GLN 88 HB2 GLN 88 143.953 -3.725 -14.687 691 2HB GLN 88 HB1 GLN 88 144.407 -3.841 -12.986 692 1HG GLN 88 HG2 GLN 88 146.519 -5.022 -13.726 693 2HG GLN 88 HG1 GLN 88 146.085 -4.613 -15.386 694 1HE2 GLN 88 HE22 GLN 88 146.526 -1.037 -14.790 695 2HE2 GLN 88 HE21 GLN 88 145.444 -2.092 -15.562 696 H HIS 89 HN HIS 89 142.603 -5.678 -11.766 697 HA HIS 89 HA HIS 89 144.630 -7.254 -10.228 698 1HB HIS 89 HB2 HIS 89 142.701 -5.129 -9.242 699 2HB HIS 89 HB1 HIS 89 143.786 -6.068 -8.215 700 HD1 HIS 89 HD1 HIS 89 144.007 -2.941 -8.532 701 HD2 HIS 89 HD2 HIS 89 146.292 -5.720 -10.637 702 HE1 HIS 89 HE1 HIS 89 146.106 -1.731 -9.269 703 HA PRO 90 HA PRO 90 140.881 -9.919 -10.274 704 1HB PRO 90 HB2 PRO 90 142.455 -12.252 -10.174 705 2HB PRO 90 HB1 PRO 90 141.710 -11.546 -11.615 706 1HG PRO 90 HG2 PRO 90 144.486 -11.704 -10.971 707 2HG PRO 90 HG1 PRO 90 143.734 -10.987 -12.402 708 1HD PRO 90 HD2 PRO 90 144.863 -9.658 -10.062 709 2HD PRO 90 HD1 PRO 90 144.400 -8.968 -11.626 710 H ASP 91 HN ASP 91 143.741 -9.932 -8.232 711 HA ASP 91 HA ASP 91 142.715 -11.675 -6.179 712 1HB ASP 91 HB2 ASP 91 144.885 -9.578 -6.259 713 2HB ASP 91 HB1 ASP 91 144.461 -10.397 -4.755 714 H GLN 92 HN GLN 92 142.383 -8.240 -6.855 715 HA GLN 92 HA GLN 92 140.949 -7.818 -4.289 716 1HB GLN 92 HB2 GLN 92 141.711 -5.857 -6.476 717 2HB GLN 92 HB1 GLN 92 140.975 -5.431 -4.932 718 1HG GLN 92 HG2 GLN 92 142.971 -6.653 -3.849 719 2HG GLN 92 HG1 GLN 92 143.726 -6.564 -5.440 720 1HE2 GLN 92 HE22 GLN 92 144.914 -3.357 -4.581 721 2HE2 GLN 92 HE21 GLN 92 145.289 -4.927 -5.106 722 H GLU 93 HN GLU 93 138.742 -7.513 -4.206 723 HA GLU 93 HA GLU 93 137.250 -7.944 -6.745 724 1HB GLU 93 HB2 GLU 93 136.460 -8.197 -3.832 725 2HB GLU 93 HB1 GLU 93 135.306 -8.337 -5.160 726 1HG GLU 93 HG2 GLU 93 136.792 -10.143 -6.132 727 2HG GLU 93 HG1 GLU 93 137.713 -10.096 -4.629 728 H LEU 94 HN LEU 94 134.953 -6.754 -6.566 729 HA LEU 94 HA LEU 94 135.584 -3.876 -6.082 730 1HB LEU 94 HB2 LEU 94 134.826 -4.831 -8.400 731 2HB LEU 94 HB1 LEU 94 133.221 -4.849 -7.670 732 HG LEU 94 HG LEU 94 133.870 -2.384 -6.955 733 1HD1 LEU 94 HD13 LEU 94 136.187 -2.580 -7.843 734 2HD1 LEU 94 HD12 LEU 94 135.526 -2.820 -9.460 735 3HD1 LEU 94 HD11 LEU 94 135.284 -1.284 -8.627 736 1HD2 LEU 94 HD21 LEU 94 133.044 -3.234 -9.749 737 2HD2 LEU 94 HD23 LEU 94 131.973 -2.913 -8.385 738 3HD2 LEU 94 HD22 LEU 94 132.878 -1.593 -9.126 739 H VAL 95 HN VAL 95 134.588 -2.917 -4.385 740 HA VAL 95 HA VAL 95 132.151 -4.236 -3.257 741 HB VAL 95 HB VAL 95 134.119 -2.419 -1.833 742 1HG1 VAL 95 HG11 VAL 95 131.739 -4.070 -0.964 743 2HG1 VAL 95 HG13 VAL 95 132.964 -3.514 0.176 744 3HG1 VAL 95 HG12 VAL 95 132.007 -2.342 -0.729 745 1HG2 VAL 95 HG22 VAL 95 133.877 -5.439 -1.936 746 2HG2 VAL 95 HG21 VAL 95 135.271 -4.464 -2.401 747 3HG2 VAL 95 HG23 VAL 95 134.804 -4.581 -0.705 748 H ILE 96 HN ILE 96 130.297 -3.039 -3.222 749 HA ILE 96 HA ILE 96 130.502 -0.172 -4.038 750 HB ILE 96 HB ILE 96 128.054 -1.956 -4.133 751 1HG1 ILE 96 HG12 ILE 96 129.812 -2.884 -5.592 752 2HG1 ILE 96 HG11 ILE 96 128.518 -2.176 -6.556 753 1HG2 ILE 96 HG22 ILE 96 127.640 0.480 -4.112 754 2HG2 ILE 96 HG21 ILE 96 128.720 0.672 -5.491 755 3HG2 ILE 96 HG23 ILE 96 127.215 -0.229 -5.670 756 1HD1 ILE 96 HD11 ILE 96 130.264 -0.044 -6.153 757 2HD1 ILE 96 HD13 ILE 96 131.339 -1.420 -6.397 758 3HD1 ILE 96 HD12 ILE 96 130.138 -1.011 -7.622 759 H ALA 97 HN ALA 97 130.291 1.210 -2.358 760 HA ALA 97 HA ALA 97 128.762 0.347 0.043 761 1HB ALA 97 HB1 ALA 97 131.176 1.372 0.061 762 2HB ALA 97 HB3 ALA 97 130.329 2.906 -0.140 763 3HB ALA 97 HB2 ALA 97 130.008 1.899 1.272 764 H GLY 98 HN GLY 98 128.715 2.666 -2.585 765 1HA GLY 98 HA2 GLY 98 126.086 3.265 -2.743 766 2HA GLY 98 HA1 GLY 98 126.550 4.241 -1.349 767 H GLY 99 HN GLY 99 127.048 6.633 -4.051 768 1HA GLY 99 HA2 GLY 99 125.350 5.764 -1.827 769 2HA GLY 99 HA1 GLY 99 125.063 7.156 -2.872 770 H ALA 100 HN ALA 100 122.844 6.547 -3.161 771 HA ALA 100 HA ALA 100 122.015 3.965 -4.108 772 1HB ALA 100 HB3 ALA 100 120.483 5.647 -3.077 773 2HB ALA 100 HB2 ALA 100 120.649 6.643 -4.524 774 3HB ALA 100 HB1 ALA 100 119.891 5.054 -4.629 775 H GLN 101 HN GLN 101 122.970 6.952 -5.766 776 HA GLN 101 HA GLN 101 122.248 6.155 -8.414 777 1HB GLN 101 HB2 GLN 101 122.928 8.481 -7.671 778 2HB GLN 101 HB1 GLN 101 124.598 7.912 -7.660 779 1HG GLN 101 HG2 GLN 101 122.949 7.425 -10.110 780 2HG GLN 101 HG1 GLN 101 123.571 9.051 -9.827 781 1HE2 GLN 101 HE22 GLN 101 126.055 6.511 -11.491 782 2HE2 GLN 101 HE21 GLN 101 124.362 6.502 -11.622 783 H ILE 102 HN ILE 102 125.042 5.438 -6.403 784 HA ILE 102 HA ILE 102 126.611 4.286 -8.576 785 HB ILE 102 HB ILE 102 126.921 3.898 -5.585 786 1HG1 ILE 102 HG12 ILE 102 126.935 6.295 -6.184 787 2HG1 ILE 102 HG11 ILE 102 128.545 5.758 -5.712 788 1HG2 ILE 102 HG23 ILE 102 128.834 3.561 -7.914 789 2HG2 ILE 102 HG22 ILE 102 129.296 3.459 -6.216 790 3HG2 ILE 102 HG21 ILE 102 128.180 2.275 -6.900 791 1HD1 ILE 102 HD11 ILE 102 129.061 5.428 -8.165 792 2HD1 ILE 102 HD13 ILE 102 127.519 6.202 -8.530 793 3HD1 ILE 102 HD12 ILE 102 128.785 7.106 -7.701 794 H PHE 103 HN PHE 103 124.478 3.044 -6.022 795 HA PHE 103 HA PHE 103 124.965 0.263 -6.444 796 1HB PHE 103 HB2 PHE 103 122.584 1.795 -5.389 797 2HB PHE 103 HB1 PHE 103 122.575 0.036 -5.510 798 HD1 PHE 103 HD1 PHE 103 125.205 -0.827 -4.756 799 HD2 PHE 103 HD2 PHE 103 122.904 2.438 -3.172 800 HE1 PHE 103 HE1 PHE 103 126.453 -0.983 -2.619 801 HE2 PHE 103 HE2 PHE 103 124.157 2.283 -1.038 802 HZ PHE 103 HZ PHE 103 125.929 0.571 -0.762 803 H THR 104 HN THR 104 122.712 2.527 -7.993 804 HA THR 104 HA THR 104 121.304 0.575 -9.555 805 HB THR 104 HB THR 104 121.783 3.387 -10.514 806 HG1 THR 104 HG1 THR 104 120.493 4.167 -8.969 807 1HG2 THR 104 HG22 THR 104 119.391 1.527 -10.469 808 2HG2 THR 104 HG21 THR 104 119.386 3.162 -11.131 809 3HG2 THR 104 HG23 THR 104 120.385 1.913 -11.874 810 H ALA 105 HN ALA 105 124.284 2.402 -10.095 811 HA ALA 105 HA ALA 105 124.626 1.700 -12.858 812 1HB ALA 105 HB2 ALA 105 126.618 2.460 -10.705 813 2HB ALA 105 HB1 ALA 105 127.056 2.236 -12.398 814 3HB ALA 105 HB3 ALA 105 125.928 3.512 -11.940 815 H PHE 106 HN PHE 106 125.560 0.116 -9.831 816 HA PHE 106 HA PHE 106 126.720 -2.140 -11.397 817 1HB PHE 106 HB2 PHE 106 126.880 -1.489 -8.438 818 2HB PHE 106 HB1 PHE 106 127.649 -2.875 -9.211 819 HD1 PHE 106 HD1 PHE 106 129.317 -2.439 -11.103 820 HD2 PHE 106 HD2 PHE 106 127.923 0.634 -8.446 821 HE1 PHE 106 HE1 PHE 106 131.252 -1.020 -11.729 822 HE2 PHE 106 HE2 PHE 106 129.857 2.054 -9.072 823 HZ PHE 106 HZ PHE 106 131.523 1.226 -10.713 824 H LYS 107 HN LYS 107 123.937 -1.901 -11.494 825 HA LYS 107 HA LYS 107 122.856 -3.802 -9.492 826 1HB LYS 107 HB2 LYS 107 121.584 -1.727 -10.136 827 2HB LYS 107 HB1 LYS 107 121.414 -2.397 -11.759 828 1HG LYS 107 HG2 LYS 107 119.421 -3.054 -10.681 829 2HG LYS 107 HG1 LYS 107 120.443 -4.487 -10.569 830 1HD LYS 107 HD2 LYS 107 121.140 -3.805 -8.295 831 2HD LYS 107 HD1 LYS 107 120.090 -2.392 -8.404 832 1HE LYS 107 HE2 LYS 107 118.772 -3.977 -7.251 833 2HE LYS 107 HE1 LYS 107 118.201 -4.089 -8.916 834 1HZ LYS 107 HZ2 LYS 107 120.374 -5.819 -7.903 835 2HZ LYS 107 HZ1 LYS 107 118.740 -6.246 -7.717 836 3HZ LYS 107 HZ3 LYS 107 119.390 -6.044 -9.271 837 H ASP 108 HN ASP 108 123.713 -3.603 -12.893 838 HA ASP 108 HA ASP 108 122.394 -6.053 -13.692 839 1HB ASP 108 HB2 ASP 108 124.668 -4.468 -14.918 840 2HB ASP 108 HB1 ASP 108 123.940 -5.882 -15.683 841 H ASP 109 HN ASP 109 125.511 -5.273 -12.276 842 HA ASP 109 HA ASP 109 126.224 -8.178 -12.388 843 1HB ASP 109 HB2 ASP 109 127.942 -5.691 -12.429 844 2HB ASP 109 HB1 ASP 109 128.605 -7.267 -11.991 845 H VAL 110 HN VAL 110 124.722 -8.143 -10.416 846 HA VAL 110 HA VAL 110 126.387 -7.663 -7.993 847 HB VAL 110 HB VAL 110 124.819 -5.767 -8.198 848 1HG1 VAL 110 HG11 VAL 110 123.118 -7.253 -9.482 849 2HG1 VAL 110 HG13 VAL 110 122.538 -7.711 -7.880 850 3HG1 VAL 110 HG12 VAL 110 122.487 -6.022 -8.386 851 1HG2 VAL 110 HG21 VAL 110 125.394 -6.872 -5.953 852 2HG2 VAL 110 HG23 VAL 110 123.951 -5.858 -5.980 853 3HG2 VAL 110 HG22 VAL 110 123.796 -7.614 -6.032 854 H ASP 111 HN ASP 111 126.515 -9.523 -6.846 855 HA ASP 111 HA ASP 111 124.264 -11.482 -7.079 856 1HB ASP 111 HB2 ASP 111 126.002 -13.261 -6.749 857 2HB ASP 111 HB1 ASP 111 126.208 -12.360 -8.251 858 H THR 112 HN THR 112 126.894 -10.258 -5.015 859 HA THR 112 HA THR 112 125.674 -11.534 -2.641 860 HB THR 112 HB THR 112 128.015 -9.650 -2.530 861 HG1 THR 112 HG1 THR 112 128.566 -10.993 -4.199 862 1HG2 THR 112 HG22 THR 112 126.842 -10.836 -0.538 863 2HG2 THR 112 HG21 THR 112 127.647 -12.289 -1.129 864 3HG2 THR 112 HG23 THR 112 128.602 -10.895 -0.624 865 H LEU 113 HN LEU 113 124.683 -10.364 -0.981 866 HA LEU 113 HA LEU 113 124.423 -7.416 -1.359 867 1HB LEU 113 HB2 LEU 113 122.150 -9.348 -0.805 868 2HB LEU 113 HB1 LEU 113 122.008 -7.589 -0.816 869 HG LEU 113 HG LEU 113 123.064 -9.134 -3.190 870 1HD1 LEU 113 HD11 LEU 113 120.214 -8.252 -2.632 871 2HD1 LEU 113 HD13 LEU 113 120.796 -8.934 -4.150 872 3HD1 LEU 113 HD12 LEU 113 120.781 -9.921 -2.689 873 1HD2 LEU 113 HD22 LEU 113 122.263 -6.317 -2.569 874 2HD2 LEU 113 HD21 LEU 113 123.606 -6.910 -3.547 875 3HD2 LEU 113 HD23 LEU 113 121.967 -6.920 -4.200 876 H LEU 114 HN LEU 114 125.749 -6.989 0.431 877 HA LEU 114 HA LEU 114 125.073 -8.246 3.031 878 1HB LEU 114 HB2 LEU 114 127.276 -6.293 2.289 879 2HB LEU 114 HB1 LEU 114 127.107 -7.109 3.844 880 HG LEU 114 HG LEU 114 127.142 -8.802 1.383 881 1HD1 LEU 114 HD12 LEU 114 129.590 -7.505 2.619 882 2HD1 LEU 114 HD11 LEU 114 129.638 -8.846 1.475 883 3HD1 LEU 114 HD13 LEU 114 129.005 -7.280 0.970 884 1HD2 LEU 114 HD23 LEU 114 128.199 -9.029 4.218 885 2HD2 LEU 114 HD22 LEU 114 126.809 -9.871 3.532 886 3HD2 LEU 114 HD21 LEU 114 128.438 -10.264 2.982 887 H VAL 115 HN VAL 115 123.933 -7.165 4.597 888 HA VAL 115 HA VAL 115 123.717 -4.219 4.466 889 HB VAL 115 HB VAL 115 121.852 -5.041 3.073 890 1HG1 VAL 115 HG11 VAL 115 121.610 -7.263 4.118 891 2HG1 VAL 115 HG13 VAL 115 120.998 -6.505 5.589 892 3HG1 VAL 115 HG12 VAL 115 120.070 -6.404 4.093 893 1HG2 VAL 115 HG23 VAL 115 120.969 -3.997 5.785 894 2HG2 VAL 115 HG22 VAL 115 121.514 -3.010 4.428 895 3HG2 VAL 115 HG21 VAL 115 120.012 -3.928 4.304 896 H THR 116 HN THR 116 123.081 -3.287 6.477 897 HA THR 116 HA THR 116 123.135 -5.198 8.780 898 HB THR 116 HB THR 116 123.953 -2.287 8.876 899 HG1 THR 116 HG1 THR 116 126.043 -2.994 8.578 900 1HG2 THR 116 HG23 THR 116 124.110 -4.668 10.690 901 2HG2 THR 116 HG22 THR 116 125.344 -3.414 10.811 902 3HG2 THR 116 HG21 THR 116 123.646 -3.008 11.064 903 H ARG 117 HN ARG 117 120.936 -5.425 9.168 904 HA ARG 117 HA ARG 117 119.095 -3.172 9.044 905 1HB ARG 117 HB2 ARG 117 118.772 -5.961 10.194 906 2HB ARG 117 HB1 ARG 117 117.462 -4.796 9.993 907 1HG ARG 117 HG2 ARG 117 117.811 -4.754 7.580 908 2HG ARG 117 HG1 ARG 117 119.208 -5.819 7.736 909 1HD ARG 117 HD2 ARG 117 117.818 -7.631 8.536 910 2HD ARG 117 HD1 ARG 117 116.409 -6.572 8.619 911 HE ARG 117 HE ARG 117 117.403 -7.885 6.237 912 1HH1 ARG 117 HH11 ARG 117 115.826 -4.993 7.412 913 2HH1 ARG 117 HH12 ARG 117 115.046 -4.684 5.900 914 1HH2 ARG 117 HH21 ARG 117 116.376 -7.445 4.299 915 2HH2 ARG 117 HH22 ARG 117 115.353 -6.055 4.155 916 H LEU 118 HN LEU 118 118.541 -1.809 10.684 917 HA LEU 118 HA LEU 118 119.819 -2.257 13.335 918 1HB LEU 118 HB2 LEU 118 118.949 0.134 11.783 919 2HB LEU 118 HB1 LEU 118 118.820 0.231 13.540 920 HG LEU 118 HG LEU 118 121.266 -0.771 13.460 921 1HD1 LEU 118 HD13 LEU 118 120.817 0.399 10.714 922 2HD1 LEU 118 HD12 LEU 118 122.424 0.353 11.439 923 3HD1 LEU 118 HD11 LEU 118 121.548 -1.149 11.141 924 1HD2 LEU 118 HD23 LEU 118 120.345 1.579 14.167 925 2HD2 LEU 118 HD22 LEU 118 122.068 1.402 13.836 926 3HD2 LEU 118 HD21 LEU 118 121.004 2.108 12.619 927 H ALA 119 HN ALA 119 118.386 -1.317 15.206 928 HA ALA 119 HA ALA 119 115.675 -2.529 14.913 929 1HB ALA 119 HB3 ALA 119 117.314 -1.928 17.394 930 2HB ALA 119 HB2 ALA 119 115.704 -2.650 17.396 931 3HB ALA 119 HB1 ALA 119 117.061 -3.519 16.679 932 H GLY 120 HN GLY 120 117.364 0.305 16.270 933 1HA GLY 120 HA2 GLY 120 114.999 1.716 17.066 934 2HA GLY 120 HA1 GLY 120 116.572 2.458 16.768 935 H SER 121 HN SER 121 113.607 2.983 15.889 936 HA SER 121 HA SER 121 113.763 2.869 12.973 937 1HB SER 121 HB2 SER 121 111.604 2.744 14.251 938 2HB SER 121 HB1 SER 121 111.832 4.426 14.720 939 HG SER 121 HG SER 121 110.975 4.896 12.868 940 H PHE 122 HN PHE 122 113.977 4.698 11.580 941 HA PHE 122 HA PHE 122 114.744 7.286 12.794 942 1HB PHE 122 HB2 PHE 122 116.559 5.750 10.908 943 2HB PHE 122 HB1 PHE 122 116.841 7.389 11.493 944 HD1 PHE 122 HD1 PHE 122 116.862 7.715 14.083 945 HD2 PHE 122 HD2 PHE 122 117.377 3.922 12.132 946 HE1 PHE 122 HE1 PHE 122 117.926 6.807 16.131 947 HE2 PHE 122 HE2 PHE 122 118.442 3.014 14.180 948 HZ PHE 122 HZ PHE 122 118.716 4.457 16.179 949 H GLU 123 HN GLU 123 114.496 9.039 11.329 950 HA GLU 123 HA GLU 123 113.122 8.317 8.770 951 1HB GLU 123 HB2 GLU 123 112.009 10.555 8.988 952 2HB GLU 123 HB1 GLU 123 111.598 9.444 10.295 953 1HG GLU 123 HG2 GLU 123 113.193 10.506 11.781 954 2HG GLU 123 HG1 GLU 123 113.796 11.523 10.471 955 H GLY 124 HN GLY 124 113.660 9.561 6.907 956 1HA GLY 124 HA2 GLY 124 115.560 11.733 6.965 957 2HA GLY 124 HA1 GLY 124 116.351 10.225 6.504 958 H ASP 125 HN ASP 125 116.683 11.401 4.412 959 HA ASP 125 HA ASP 125 114.231 11.280 2.698 960 1HB ASP 125 HB2 ASP 125 116.620 13.113 2.674 961 2HB ASP 125 HB1 ASP 125 115.691 12.844 1.199 962 H THR 126 HN THR 126 117.699 10.565 2.904 963 HA THR 126 HA THR 126 117.874 9.337 0.291 964 HB THR 126 HB THR 126 119.668 8.660 2.620 965 HG1 THR 126 HG1 THR 126 120.582 10.585 2.491 966 1HG2 THR 126 HG22 THR 126 119.839 7.607 0.278 967 2HG2 THR 126 HG21 THR 126 120.372 9.198 -0.266 968 3HG2 THR 126 HG23 THR 126 121.310 8.320 0.944 969 H LYS 127 HN LYS 127 116.795 7.503 -0.222 970 HA LYS 127 HA LYS 127 116.425 5.439 1.913 971 1HB LYS 127 HB2 LYS 127 114.707 6.346 -0.370 972 2HB LYS 127 HB1 LYS 127 114.597 4.666 0.157 973 1HG LYS 127 HG2 LYS 127 114.067 5.354 2.425 974 2HG LYS 127 HG1 LYS 127 114.330 7.049 2.011 975 1HD LYS 127 HD2 LYS 127 112.502 6.652 0.198 976 2HD LYS 127 HD1 LYS 127 112.087 5.230 1.158 977 1HE LYS 127 HE2 LYS 127 111.403 6.493 2.986 978 2HE LYS 127 HE1 LYS 127 112.419 7.867 2.547 979 1HZ LYS 127 HZ2 LYS 127 110.945 8.190 0.597 980 2HZ LYS 127 HZ1 LYS 127 109.912 6.996 1.223 981 3HZ LYS 127 HZ3 LYS 127 110.169 8.431 2.089 982 H MET 128 HN MET 128 116.263 3.155 0.925 983 HA MET 128 HA MET 128 118.573 2.806 -0.904 984 1HB MET 128 HB2 MET 128 118.066 1.517 1.370 985 2HB MET 128 HB1 MET 128 117.100 0.497 0.303 986 1HG MET 128 HG2 MET 128 119.878 1.214 -0.549 987 2HG MET 128 HG1 MET 128 119.674 -0.014 0.699 988 1HE MET 128 HE2 MET 128 121.041 -0.240 -1.991 989 2HE MET 128 HE1 MET 128 120.911 -1.786 -1.158 990 3HE MET 128 HE3 MET 128 120.439 -1.651 -2.857 991 H ILE 129 HN ILE 129 118.390 1.584 -2.844 992 HA ILE 129 HA ILE 129 115.960 1.917 -4.319 993 HB ILE 129 HB ILE 129 117.063 0.412 -5.995 994 1HG1 ILE 129 HG12 ILE 129 119.426 0.349 -4.122 995 2HG1 ILE 129 HG11 ILE 129 118.196 -0.915 -4.058 996 1HG2 ILE 129 HG22 ILE 129 117.554 2.852 -5.881 997 2HG2 ILE 129 HG21 ILE 129 118.896 2.509 -4.789 998 3HG2 ILE 129 HG23 ILE 129 118.938 1.919 -6.451 999 1HD1 ILE 129 HD12 ILE 129 118.537 -1.093 -6.619 1000 2HD1 ILE 129 HD11 ILE 129 120.029 -0.195 -6.341 1001 3HD1 ILE 129 HD13 ILE 129 119.791 -1.766 -5.577 1002 HA PRO 130 HA PRO 130 113.685 -1.778 -3.341 1003 1HB PRO 130 HB2 PRO 130 112.585 -2.298 -5.867 1004 2HB PRO 130 HB1 PRO 130 111.923 -1.199 -4.650 1005 1HG PRO 130 HG2 PRO 130 113.072 -0.540 -7.186 1006 2HG PRO 130 HG1 PRO 130 112.396 0.554 -5.970 1007 1HD PRO 130 HD2 PRO 130 115.199 -0.013 -6.581 1008 2HD PRO 130 HD1 PRO 130 114.506 1.303 -5.619 1009 H LEU 131 HN LEU 131 115.059 -3.505 -2.942 1010 HA LEU 131 HA LEU 131 116.373 -4.868 -5.227 1011 1HB LEU 131 HB2 LEU 131 116.587 -5.387 -2.244 1012 2HB LEU 131 HB1 LEU 131 117.582 -6.130 -3.497 1013 HG LEU 131 HG LEU 131 117.415 -3.132 -3.192 1014 1HD1 LEU 131 HD12 LEU 131 118.989 -5.136 -1.617 1015 2HD1 LEU 131 HD11 LEU 131 119.762 -3.613 -2.050 1016 3HD1 LEU 131 HD13 LEU 131 118.282 -3.608 -1.093 1017 1HD2 LEU 131 HD22 LEU 131 119.419 -5.056 -4.416 1018 2HD2 LEU 131 HD21 LEU 131 118.344 -3.962 -5.287 1019 3HD2 LEU 131 HD23 LEU 131 119.655 -3.312 -4.303 1020 H ASN 132 HN ASN 132 116.112 -7.192 -5.504 1021 HA ASN 132 HA ASN 132 113.368 -8.085 -4.799 1022 1HB ASN 132 HB2 ASN 132 114.465 -8.150 -7.190 1023 2HB ASN 132 HB1 ASN 132 115.230 -9.621 -6.588 1024 1HD2 ASN 132 HD22 ASN 132 112.321 -11.534 -7.051 1025 2HD2 ASN 132 HD21 ASN 132 114.008 -11.491 -6.858 1026 H TRP 133 HN TRP 133 113.073 -9.570 -3.214 1027 HA TRP 133 HA TRP 133 115.474 -10.997 -2.168 1028 1HB TRP 133 HB2 TRP 133 112.767 -10.563 -0.872 1029 2HB TRP 133 HB1 TRP 133 114.179 -11.294 -0.109 1030 HD1 TRP 133 HD1 TRP 133 112.630 -7.985 -0.957 1031 HE1 TRP 133 HE1 TRP 133 114.138 -6.075 -0.108 1032 HE3 TRP 133 HE3 TRP 133 116.801 -10.648 0.301 1033 HZ2 TRP 133 HZ2 TRP 133 116.766 -5.722 0.965 1034 HZ3 TRP 133 HZ3 TRP 133 118.791 -9.502 1.233 1035 HH2 TRP 133 HH2 TRP 133 118.779 -7.045 1.567 1036 H ASP 134 HN ASP 134 113.213 -11.668 -4.401 1037 HA ASP 134 HA ASP 134 112.348 -14.293 -3.387 1038 1HB ASP 134 HB2 ASP 134 111.015 -12.660 -4.939 1039 2HB ASP 134 HB1 ASP 134 112.000 -13.357 -6.225 1040 H ASP 135 HN ASP 135 114.740 -12.937 -5.578 1041 HA ASP 135 HA ASP 135 115.586 -15.674 -6.388 1042 1HB ASP 135 HB2 ASP 135 116.118 -12.909 -7.462 1043 2HB ASP 135 HB1 ASP 135 117.179 -14.253 -7.887 1044 H PHE 136 HN PHE 136 116.043 -14.722 -3.681 1045 HA PHE 136 HA PHE 136 118.991 -15.021 -3.627 1046 1HB PHE 136 HB2 PHE 136 117.476 -12.743 -2.320 1047 2HB PHE 136 HB1 PHE 136 119.137 -13.173 -1.912 1048 HD1 PHE 136 HD1 PHE 136 116.915 -11.848 -4.546 1049 HD2 PHE 136 HD2 PHE 136 120.967 -12.763 -3.455 1050 HE1 PHE 136 HE1 PHE 136 117.733 -10.543 -6.490 1051 HE2 PHE 136 HE2 PHE 136 121.785 -11.458 -5.399 1052 HZ PHE 136 HZ PHE 136 120.168 -10.349 -6.916 1053 H THR 137 HN THR 137 119.727 -15.484 -1.334 1054 HA THR 137 HA THR 137 117.579 -16.520 0.434 1055 HB THR 137 HB THR 137 119.962 -18.236 -0.290 1056 HG1 THR 137 HG1 THR 137 118.893 -18.257 -2.145 1057 1HG2 THR 137 HG21 THR 137 117.335 -18.685 1.139 1058 2HG2 THR 137 HG23 THR 137 118.369 -20.007 0.600 1059 3HG2 THR 137 HG22 THR 137 118.962 -18.856 1.796 1060 H LYS 138 HN LYS 138 118.258 -16.708 2.635 1061 HA LYS 138 HA LYS 138 120.493 -14.941 3.334 1062 1HB LYS 138 HB2 LYS 138 118.250 -15.042 4.557 1063 2HB LYS 138 HB1 LYS 138 118.796 -16.578 5.231 1064 1HG LYS 138 HG2 LYS 138 120.451 -15.589 6.514 1065 2HG LYS 138 HG1 LYS 138 120.633 -14.223 5.411 1066 1HD LYS 138 HD2 LYS 138 119.547 -13.314 7.316 1067 2HD LYS 138 HD1 LYS 138 118.258 -13.544 6.134 1068 1HE LYS 138 HE2 LYS 138 117.573 -15.613 7.192 1069 2HE LYS 138 HE1 LYS 138 118.958 -15.563 8.283 1070 1HZ LYS 138 HZ1 LYS 138 118.037 -13.344 9.033 1071 2HZ LYS 138 HZ3 LYS 138 116.606 -13.771 8.229 1072 3HZ LYS 138 HZ2 LYS 138 117.175 -14.727 9.513 1073 H VAL 139 HN VAL 139 122.410 -15.589 4.353 1074 HA VAL 139 HA VAL 139 122.854 -18.538 4.580 1075 HB VAL 139 HB VAL 139 124.887 -16.499 3.625 1076 1HG1 VAL 139 HG12 VAL 139 125.774 -18.525 4.784 1077 2HG1 VAL 139 HG11 VAL 139 124.924 -19.533 3.612 1078 3HG1 VAL 139 HG13 VAL 139 126.225 -18.467 3.080 1079 1HG2 VAL 139 HG21 VAL 139 123.261 -18.540 2.071 1080 2HG2 VAL 139 HG23 VAL 139 123.088 -16.788 1.968 1081 3HG2 VAL 139 HG22 VAL 139 124.569 -17.562 1.404 1082 H SER 140 HN SER 140 124.596 -15.508 5.376 1083 HA SER 140 HA SER 140 125.026 -16.621 8.118 1084 1HB SER 140 HB2 SER 140 126.669 -14.739 6.418 1085 2HB SER 140 HB1 SER 140 126.924 -14.888 8.154 1086 HG SER 140 HG SER 140 127.709 -16.847 7.878 1087 H SER 141 HN SER 141 124.161 -15.502 9.810 1088 HA SER 141 HA SER 141 123.416 -12.651 9.434 1089 1HB SER 141 HB2 SER 141 121.387 -13.921 8.881 1090 2HB SER 141 HB1 SER 141 121.514 -14.811 10.395 1091 HG SER 141 HG SER 141 120.206 -13.192 10.938 1092 H ARG 142 HN ARG 142 125.022 -12.076 10.947 1093 HA ARG 142 HA ARG 142 125.002 -13.345 13.614 1094 1HB ARG 142 HB2 ARG 142 127.106 -12.586 12.301 1095 2HB ARG 142 HB1 ARG 142 126.662 -10.957 12.812 1096 1HG ARG 142 HG2 ARG 142 126.998 -11.430 15.075 1097 2HG ARG 142 HG1 ARG 142 126.787 -13.166 14.845 1098 1HD ARG 142 HD2 ARG 142 128.945 -13.452 13.997 1099 2HD ARG 142 HD1 ARG 142 129.081 -11.763 13.506 1100 HE ARG 142 HE ARG 142 128.841 -11.817 16.332 1101 1HH1 ARG 142 HH11 ARG 142 131.080 -12.820 13.839 1102 2HH1 ARG 142 HH12 ARG 142 132.457 -12.655 14.870 1103 1HH2 ARG 142 HH21 ARG 142 130.650 -11.617 17.630 1104 2HH2 ARG 142 HH22 ARG 142 132.220 -11.982 16.994 1105 H THR 143 HN THR 143 124.020 -12.452 15.378 1106 HA THR 143 HA THR 143 122.683 -9.811 15.006 1107 HB THR 143 HB THR 143 122.123 -11.773 17.232 1108 HG1 THR 143 HG1 THR 143 121.844 -12.920 15.345 1109 1HG2 THR 143 HG23 THR 143 120.716 -9.450 15.934 1110 2HG2 THR 143 HG22 THR 143 119.804 -10.667 16.827 1111 3HG2 THR 143 HG21 THR 143 121.050 -9.724 17.644 1112 H VAL 144 HN VAL 144 123.331 -8.095 16.231 1113 HA VAL 144 HA VAL 144 124.978 -8.618 18.661 1114 HB VAL 144 HB VAL 144 125.651 -6.540 16.556 1115 1HG1 VAL 144 HG12 VAL 144 127.014 -7.473 19.097 1116 2HG1 VAL 144 HG11 VAL 144 127.793 -6.451 17.889 1117 3HG1 VAL 144 HG13 VAL 144 126.377 -5.864 18.760 1118 1HG2 VAL 144 HG23 VAL 144 126.738 -9.309 17.103 1119 2HG2 VAL 144 HG22 VAL 144 126.174 -8.643 15.570 1120 3HG2 VAL 144 HG21 VAL 144 127.693 -8.083 16.269 1121 H GLU 145 HN GLU 145 124.417 -7.310 20.356 1122 HA GLU 145 HA GLU 145 122.596 -5.008 19.769 1123 1HB GLU 145 HB2 GLU 145 121.567 -5.481 22.006 1124 2HB GLU 145 HB1 GLU 145 121.333 -6.787 20.844 1125 1HG GLU 145 HG2 GLU 145 123.225 -8.016 21.815 1126 2HG GLU 145 HG1 GLU 145 123.507 -6.701 22.957 1127 H ASP 146 HN ASP 146 123.012 -3.095 20.893 1128 HA ASP 146 HA ASP 146 125.643 -2.976 22.265 1129 1HB ASP 146 HB2 ASP 146 124.576 -1.345 20.370 1130 2HB ASP 146 HB1 ASP 146 124.071 -0.495 21.830 1131 H THR 147 HN THR 147 125.229 -0.743 23.888 1132 HA THR 147 HA THR 147 124.080 -1.905 26.233 1133 HB THR 147 HB THR 147 124.336 0.343 27.221 1134 HG1 THR 147 HG1 THR 147 124.913 2.050 25.907 1135 1HG2 THR 147 HG23 THR 147 126.322 -1.123 26.917 1136 2HG2 THR 147 HG22 THR 147 126.622 -0.354 25.358 1137 3HG2 THR 147 HG21 THR 147 126.738 0.590 26.843 1138 H ASN 148 HN ASN 148 122.730 0.096 23.682 1139 HA ASN 148 HA ASN 148 120.117 0.123 25.137 1140 1HB ASN 148 HB2 ASN 148 121.309 1.983 23.076 1141 2HB ASN 148 HB1 ASN 148 119.578 1.963 23.414 1142 1HD2 ASN 148 HD22 ASN 148 120.268 4.323 25.963 1143 2HD2 ASN 148 HD21 ASN 148 119.496 4.030 24.480 1144 HA PRO 149 HA PRO 149 118.379 -2.392 21.901 1145 1HB PRO 149 HB2 PRO 149 115.761 -1.412 21.993 1146 2HB PRO 149 HB1 PRO 149 116.432 -2.670 23.041 1147 1HG PRO 149 HG2 PRO 149 115.625 -0.011 23.750 1148 2HG PRO 149 HG1 PRO 149 116.250 -1.288 24.803 1149 1HD PRO 149 HD2 PRO 149 117.628 1.062 23.750 1150 2HD PRO 149 HD1 PRO 149 118.130 -0.046 25.037 1151 H ALA 150 HN ALA 150 117.782 1.086 21.748 1152 HA ALA 150 HA ALA 150 116.790 1.140 19.043 1153 1HB ALA 150 HB2 ALA 150 116.530 3.002 20.708 1154 2HB ALA 150 HB1 ALA 150 118.251 3.340 20.531 1155 3HB ALA 150 HB3 ALA 150 117.168 3.535 19.152 1156 H LEU 151 HN LEU 151 120.000 0.976 20.430 1157 HA LEU 151 HA LEU 151 121.242 1.570 17.797 1158 1HB LEU 151 HB2 LEU 151 122.381 1.181 20.576 1159 2HB LEU 151 HB1 LEU 151 123.389 1.353 19.139 1160 HG LEU 151 HG LEU 151 121.243 3.370 19.794 1161 1HD1 LEU 151 HD13 LEU 151 122.913 3.050 21.706 1162 2HD1 LEU 151 HD12 LEU 151 124.151 3.619 20.588 1163 3HD1 LEU 151 HD11 LEU 151 122.812 4.676 21.034 1164 1HD2 LEU 151 HD23 LEU 151 123.763 3.329 18.112 1165 2HD2 LEU 151 HD22 LEU 151 122.100 3.530 17.556 1166 3HD2 LEU 151 HD21 LEU 151 122.882 4.813 18.480 1167 H THR 152 HN THR 152 119.684 -0.916 18.334 1168 HA THR 152 HA THR 152 121.733 -3.037 18.420 1169 HB THR 152 HB THR 152 118.763 -3.317 17.884 1170 HG1 THR 152 HG1 THR 152 118.496 -3.443 20.045 1171 1HG2 THR 152 HG23 THR 152 121.034 -5.160 18.512 1172 2HG2 THR 152 HG22 THR 152 119.437 -5.555 19.147 1173 3HG2 THR 152 HG21 THR 152 119.678 -5.388 17.408 1174 H HIS 153 HN HIS 153 122.366 -4.253 16.632 1175 HA HIS 153 HA HIS 153 121.098 -3.634 14.010 1176 1HB HIS 153 HB2 HIS 153 123.386 -3.464 12.992 1177 2HB HIS 153 HB1 HIS 153 123.020 -2.151 14.108 1178 HD1 HIS 153 HD1 HIS 153 123.876 -2.701 16.705 1179 HD2 HIS 153 HD2 HIS 153 125.778 -4.704 13.583 1180 HE1 HIS 153 HE1 HIS 153 126.071 -3.556 17.634 1181 H THR 154 HN THR 154 121.596 -5.275 12.367 1182 HA THR 154 HA THR 154 122.730 -7.816 13.421 1183 HB THR 154 HB THR 154 120.098 -7.719 11.928 1184 HG1 THR 154 HG1 THR 154 119.143 -7.442 13.766 1185 1HG2 THR 154 HG21 THR 154 121.715 -9.787 12.040 1186 2HG2 THR 154 HG23 THR 154 121.093 -9.940 13.683 1187 3HG2 THR 154 HG22 THR 154 119.988 -10.015 12.311 1188 H TYR 155 HN TYR 155 124.301 -8.337 11.991 1189 HA TYR 155 HA TYR 155 124.392 -7.258 9.303 1190 1HB TYR 155 HB2 TYR 155 126.006 -9.504 10.553 1191 2HB TYR 155 HB1 TYR 155 126.397 -8.669 9.050 1192 HD1 TYR 155 HD1 TYR 155 126.359 -5.981 9.292 1193 HD2 TYR 155 HD2 TYR 155 127.079 -8.767 12.481 1194 HE1 TYR 155 HE1 TYR 155 127.525 -4.208 10.578 1195 HE2 TYR 155 HE2 TYR 155 128.243 -6.995 13.767 1196 HH TYR 155 HH TYR 155 129.548 -4.573 12.791 1197 H GLU 156 HN GLU 156 123.722 -8.202 7.408 1198 HA GLU 156 HA GLU 156 122.695 -11.007 7.547 1199 1HB GLU 156 HB2 GLU 156 121.381 -8.522 6.484 1200 2HB GLU 156 HB1 GLU 156 121.015 -10.081 5.745 1201 1HG GLU 156 HG2 GLU 156 119.401 -10.026 7.410 1202 2HG GLU 156 HG1 GLU 156 120.713 -10.835 8.269 1203 H VAL 157 HN VAL 157 123.787 -12.255 6.123 1204 HA VAL 157 HA VAL 157 125.096 -10.940 3.787 1205 HB VAL 157 HB VAL 157 125.603 -13.697 4.945 1206 1HG1 VAL 157 HG11 VAL 157 126.795 -12.042 2.747 1207 2HG1 VAL 157 HG13 VAL 157 127.847 -13.122 3.663 1208 3HG1 VAL 157 HG12 VAL 157 126.462 -13.774 2.786 1209 1HG2 VAL 157 HG22 VAL 157 126.137 -11.861 6.547 1210 2HG2 VAL 157 HG21 VAL 157 127.583 -12.700 5.989 1211 3HG2 VAL 157 HG23 VAL 157 127.166 -11.122 5.322 1212 H TRP 158 HN TRP 158 123.319 -10.913 2.350 1213 HA TRP 158 HA TRP 158 121.861 -13.418 1.810 1214 1HB TRP 158 HB2 TRP 158 121.667 -10.617 0.675 1215 2HB TRP 158 HB1 TRP 158 120.693 -11.962 0.083 1216 HD1 TRP 158 HD1 TRP 158 121.323 -9.913 3.271 1217 HE1 TRP 158 HE1 TRP 158 119.251 -10.111 4.791 1218 HE3 TRP 158 HE3 TRP 158 118.610 -13.331 0.620 1219 HZ2 TRP 158 HZ2 TRP 158 116.768 -11.532 4.870 1220 HZ3 TRP 158 HZ3 TRP 158 116.397 -14.089 1.439 1221 HH2 TRP 158 HH2 TRP 158 115.473 -13.194 3.559 1222 H GLN 159 HN GLN 159 122.112 -14.658 -0.049 1223 HA GLN 159 HA GLN 159 124.185 -13.772 -2.009 1224 1HB GLN 159 HB2 GLN 159 124.002 -16.360 -0.485 1225 2HB GLN 159 HB1 GLN 159 124.738 -16.333 -2.088 1226 1HG GLN 159 HG2 GLN 159 126.450 -14.857 -1.410 1227 2HG GLN 159 HG1 GLN 159 125.566 -14.354 0.031 1228 1HE2 GLN 159 HE22 GLN 159 127.540 -17.965 0.086 1229 2HE2 GLN 159 HE21 GLN 159 127.091 -17.290 -1.406 1230 H LYS 160 HN LYS 160 123.835 -14.526 -4.153 1231 HA LYS 160 HA LYS 160 121.051 -15.016 -4.833 1232 1HB LYS 160 HB2 LYS 160 122.943 -13.779 -6.189 1233 2HB LYS 160 HB1 LYS 160 123.299 -15.400 -6.786 1234 1HG LYS 160 HG2 LYS 160 120.886 -15.636 -7.426 1235 2HG LYS 160 HG1 LYS 160 120.644 -13.950 -6.966 1236 1HD LYS 160 HD2 LYS 160 121.039 -13.846 -9.293 1237 2HD LYS 160 HD1 LYS 160 122.601 -13.438 -8.582 1238 1HE LYS 160 HE2 LYS 160 123.290 -15.823 -8.811 1239 2HE LYS 160 HE1 LYS 160 121.758 -16.160 -9.618 1240 1HZ LYS 160 HZ3 LYS 160 123.777 -14.188 -10.544 1241 2HZ LYS 160 HZ2 LYS 160 123.565 -15.745 -11.190 1242 3HZ LYS 160 HZ1 LYS 160 122.330 -14.587 -11.335 1243 H LYS 161 HN LYS 161 120.250 -16.918 -5.937 1244 HA LYS 161 HA LYS 161 121.251 -19.400 -4.825 1245 1HB LYS 161 HB2 LYS 161 119.088 -18.696 -6.807 1246 2HB LYS 161 HB1 LYS 161 119.512 -20.377 -6.483 1247 1HG LYS 161 HG2 LYS 161 119.177 -19.889 -4.022 1248 2HG LYS 161 HG1 LYS 161 118.518 -18.321 -4.494 1249 1HD LYS 161 HD2 LYS 161 116.697 -19.324 -5.659 1250 2HD LYS 161 HD1 LYS 161 117.450 -20.918 -5.614 1251 1HE LYS 161 HE2 LYS 161 117.347 -20.566 -3.004 1252 2HE LYS 161 HE1 LYS 161 116.077 -19.411 -3.413 1253 1HZ LYS 161 HZ3 LYS 161 115.065 -21.238 -4.770 1254 2HZ LYS 161 HZ2 LYS 161 116.172 -22.304 -4.045 1255 3HZ LYS 161 HZ1 LYS 161 115.032 -21.482 -3.092 1256 H ALA 162 HN ALA 162 121.796 -21.299 -6.267 1257 HA ALA 162 HA ALA 162 123.763 -20.430 -8.299 1258 1HB ALA 162 HB1 ALA 162 123.174 -23.143 -7.078 1259 2HB ALA 162 HB3 ALA 162 124.451 -22.835 -8.255 1260 3HB ALA 162 HB2 ALA 162 124.515 -22.077 -6.663 1261 1HN2 MTX 170 1HN2 MTX 170 128.678 -1.283 8.327 1262 2HN2 MTX 170 2HN2 MTX 170 128.570 -1.821 6.721 1263 1HN4 MTX 170 1HN4 MTX 170 128.627 1.220 3.111 1264 2HN4 MTX 170 2HN4 MTX 170 128.756 2.887 3.403 1265 H7 MTX 170 H7 MTX 170 129.177 5.661 8.590 1266 1H9 MTX 170 H91 MTX 170 128.124 6.935 5.816 1267 2H9 MTX 170 H92 MTX 170 129.701 6.598 5.086 1268 1HM MTX 170 HM1 MTX 170 128.659 8.602 8.307 1269 2HM MTX 170 HM2 MTX 170 129.810 9.520 7.291 1270 3HM MTX 170 HM3 MTX 170 128.290 8.897 6.581 1271 H12 MTX 170 H13 MTX 170 132.873 7.665 10.367 1272 H13 MTX 170 H12 MTX 170 130.648 8.216 9.381 1273 H15 MTX 170 H16 MTX 170 131.709 6.022 5.791 1274 H16 MTX 170 H15 MTX 170 133.931 5.478 6.788 1275 HN MTX 170 HN MTX 170 134.803 4.363 8.342 1276 HA MTX 170 HA MTX 170 137.201 5.480 9.615 1277 1HB MTX 170 HB1 MTX 170 137.305 3.216 10.995 1278 2HB MTX 170 HB2 MTX 170 135.575 3.148 10.701 1279 1HG MTX 170 HG1 MTX 170 135.344 5.465 11.685 1280 2HG MTX 170 HG2 MTX 170 137.076 5.488 12.006 1281 HN1 MTX 170 H1N MTX 170 128.859 0.981 8.806 No H/Q in entry = 1281 Start of MODEL 17 1 1H THR 1 HT2 THR 1 132.602 -8.936 -6.710 2 2H THR 1 HT1 THR 1 133.530 -7.657 -7.332 3 3H THR 1 HT3 THR 1 133.332 -7.820 -5.656 4 HA THR 1 HA THR 1 131.923 -6.054 -6.462 5 HB THR 1 HB THR 1 130.350 -8.063 -8.041 6 HG1 THR 1 HG1 THR 1 132.322 -8.286 -8.972 7 1HG2 THR 1 HG22 THR 1 130.724 -5.083 -7.940 8 2HG2 THR 1 HG21 THR 1 130.089 -5.842 -9.399 9 3HG2 THR 1 HG23 THR 1 129.230 -6.018 -7.869 10 H ALA 2 HN ALA 2 130.990 -5.923 -4.469 11 HA ALA 2 HA ALA 2 128.762 -7.783 -3.862 12 1HB ALA 2 HB1 ALA 2 131.100 -7.281 -1.994 13 2HB ALA 2 HB3 ALA 2 129.607 -8.098 -1.533 14 3HB ALA 2 HB2 ALA 2 130.669 -8.818 -2.743 15 H PHE 3 HN PHE 3 127.071 -6.676 -2.977 16 HA PHE 3 HA PHE 3 127.295 -3.794 -2.602 17 1HB PHE 3 HB2 PHE 3 125.104 -5.826 -2.529 18 2HB PHE 3 HB1 PHE 3 124.833 -4.303 -1.685 19 HD1 PHE 3 HD2 PHE 3 126.711 -5.048 -4.854 20 HD2 PHE 3 HD1 PHE 3 123.399 -3.022 -3.012 21 HE1 PHE 3 HE2 PHE 3 126.191 -3.936 -7.009 22 HE2 PHE 3 HE1 PHE 3 122.880 -1.912 -5.167 23 HZ PHE 3 HZ PHE 3 124.276 -2.369 -7.164 24 H LEU 4 HN LEU 4 127.145 -2.661 -0.634 25 HA LEU 4 HA LEU 4 126.893 -4.166 1.891 26 1HB LEU 4 HB2 LEU 4 129.312 -4.312 1.303 27 2HB LEU 4 HB1 LEU 4 129.383 -2.551 1.261 28 HG LEU 4 HG LEU 4 128.480 -2.607 3.659 29 1HD1 LEU 4 HD11 LEU 4 129.035 -5.516 3.140 30 2HD1 LEU 4 HD13 LEU 4 129.246 -4.861 4.764 31 3HD1 LEU 4 HD12 LEU 4 127.669 -4.778 3.977 32 1HD2 LEU 4 HD21 LEU 4 131.201 -3.811 3.057 33 2HD2 LEU 4 HD23 LEU 4 130.825 -2.090 3.137 34 3HD2 LEU 4 HD22 LEU 4 130.733 -3.081 4.592 35 H TRP 5 HN TRP 5 125.381 -2.933 2.913 36 HA TRP 5 HA TRP 5 125.937 -0.085 3.351 37 1HB TRP 5 HB2 TRP 5 123.858 0.743 2.427 38 2HB TRP 5 HB1 TRP 5 124.685 -0.169 1.171 39 HD1 TRP 5 HD1 TRP 5 121.438 0.141 2.838 40 HE1 TRP 5 HE1 TRP 5 119.903 -1.846 2.267 41 HE3 TRP 5 HE3 TRP 5 124.846 -3.044 0.747 42 HZ2 TRP 5 HZ2 TRP 5 120.089 -4.439 1.086 43 HZ3 TRP 5 HZ3 TRP 5 124.135 -5.266 -0.089 44 HH2 TRP 5 HH2 TRP 5 121.763 -5.965 0.077 45 H ALA 6 HN ALA 6 124.168 0.856 4.842 46 HA ALA 6 HA ALA 6 123.153 -1.294 6.662 47 1HB ALA 6 HB3 ALA 6 124.574 1.291 7.265 48 2HB ALA 6 HB2 ALA 6 123.462 0.598 8.446 49 3HB ALA 6 HB1 ALA 6 124.876 -0.317 7.921 50 H GLN 7 HN GLN 7 121.020 -1.083 7.293 51 HA GLN 7 HA GLN 7 119.627 1.489 6.808 52 1HB GLN 7 HB2 GLN 7 117.776 0.281 5.626 53 2HB GLN 7 HB1 GLN 7 119.291 0.284 4.721 54 1HG GLN 7 HG2 GLN 7 119.647 -1.968 5.038 55 2HG GLN 7 HG1 GLN 7 118.835 -1.983 6.604 56 1HE2 GLN 7 HE22 GLN 7 116.275 -1.860 3.387 57 2HE2 GLN 7 HE21 GLN 7 117.607 -0.809 3.430 58 H ASP 8 HN ASP 8 117.239 1.213 7.607 59 HA ASP 8 HA ASP 8 117.304 -0.412 10.119 60 1HB ASP 8 HB2 ASP 8 115.749 1.305 11.049 61 2HB ASP 8 HB1 ASP 8 117.305 1.991 10.584 62 H ARG 9 HN ARG 9 114.653 -0.317 10.824 63 HA ARG 9 HA ARG 9 113.453 -2.328 9.228 64 1HB ARG 9 HB2 ARG 9 111.370 -1.800 10.480 65 2HB ARG 9 HB1 ARG 9 112.769 -1.924 11.545 66 1HG ARG 9 HG2 ARG 9 112.953 0.674 11.114 67 2HG ARG 9 HG1 ARG 9 111.246 0.519 10.699 68 1HD ARG 9 HD2 ARG 9 112.467 -0.483 13.287 69 2HD ARG 9 HD1 ARG 9 111.626 1.058 13.117 70 HE ARG 9 HE ARG 9 110.370 -1.543 13.320 71 1HH1 ARG 9 HH21 ARG 9 110.070 1.628 11.872 72 2HH1 ARG 9 HH22 ARG 9 108.351 1.515 11.741 73 1HH2 ARG 9 HH11 ARG 9 108.142 -1.643 13.133 74 2HH2 ARG 9 HH12 ARG 9 107.268 -0.314 12.447 75 H ASP 10 HN ASP 10 113.145 1.199 9.085 76 HA ASP 10 HA ASP 10 111.002 1.169 7.122 77 1HB ASP 10 HB2 ASP 10 112.862 3.264 8.220 78 2HB ASP 10 HB1 ASP 10 111.886 3.617 6.795 79 H GLY 11 HN GLY 11 114.438 2.160 6.838 80 1HA GLY 11 HA2 GLY 11 115.598 0.827 4.917 81 2HA GLY 11 HA1 GLY 11 114.290 1.488 3.935 82 H LEU 12 HN LEU 12 116.203 3.030 6.520 83 HA LEU 12 HA LEU 12 116.782 5.262 4.641 84 1HB LEU 12 HB2 LEU 12 115.789 5.566 7.025 85 2HB LEU 12 HB1 LEU 12 117.431 5.244 7.585 86 HG LEU 12 HG LEU 12 118.161 7.057 5.899 87 1HD1 LEU 12 HD11 LEU 12 115.872 7.052 4.784 88 2HD1 LEU 12 HD13 LEU 12 115.268 7.887 6.215 89 3HD1 LEU 12 HD12 LEU 12 116.501 8.645 5.208 90 1HD2 LEU 12 HD22 LEU 12 117.882 7.198 8.486 91 2HD2 LEU 12 HD21 LEU 12 118.002 8.704 7.575 92 3HD2 LEU 12 HD23 LEU 12 116.427 8.127 8.122 93 H ILE 13 HN ILE 13 118.848 5.648 3.933 94 HA ILE 13 HA ILE 13 120.988 3.838 4.969 95 HB ILE 13 HB ILE 13 122.133 4.349 2.796 96 1HG1 ILE 13 HG12 ILE 13 119.486 5.620 2.041 97 2HG1 ILE 13 HG11 ILE 13 120.914 6.553 2.492 98 1HG2 ILE 13 HG21 ILE 13 120.600 2.369 3.148 99 2HG2 ILE 13 HG23 ILE 13 119.308 3.321 2.418 100 3HG2 ILE 13 HG22 ILE 13 120.733 2.897 1.470 101 1HD1 ILE 13 HD12 ILE 13 121.257 4.446 0.409 102 2HD1 ILE 13 HD11 ILE 13 120.398 5.913 -0.057 103 3HD1 ILE 13 HD13 ILE 13 122.048 6.015 0.560 104 H GLY 14 HN GLY 14 120.105 7.185 4.381 105 1HA GLY 14 HA2 GLY 14 122.319 8.062 6.113 106 2HA GLY 14 HA1 GLY 14 122.381 8.663 4.456 107 H LYS 15 HN LYS 15 122.173 10.717 5.960 108 HA LYS 15 HA LYS 15 119.401 11.644 5.675 109 1HB LYS 15 HB2 LYS 15 119.613 10.531 7.979 110 2HB LYS 15 HB1 LYS 15 120.691 11.863 8.401 111 1HG LYS 15 HG2 LYS 15 118.762 13.375 7.484 112 2HG LYS 15 HG1 LYS 15 117.759 11.947 7.736 113 1HD LYS 15 HD2 LYS 15 117.977 12.025 10.031 114 2HD LYS 15 HD1 LYS 15 119.578 12.762 9.958 115 1HE LYS 15 HE2 LYS 15 118.490 14.876 9.133 116 2HE LYS 15 HE1 LYS 15 116.923 14.126 9.438 117 1HZ LYS 15 HZ1 LYS 15 119.018 14.354 11.519 118 2HZ LYS 15 HZ3 LYS 15 117.842 15.551 11.275 119 3HZ LYS 15 HZ2 LYS 15 117.373 13.983 11.727 120 H ASP 16 HN ASP 16 119.898 13.423 4.471 121 HA ASP 16 HA ASP 16 120.807 15.505 3.895 122 1HB ASP 16 HB2 ASP 16 120.878 15.433 6.868 123 2HB ASP 16 HB1 ASP 16 121.872 16.663 6.088 124 H GLY 17 HN GLY 17 122.520 13.020 3.938 125 1HA GLY 17 HA2 GLY 17 124.742 12.859 3.010 126 2HA GLY 17 HA1 GLY 17 125.118 14.436 3.705 127 H HIS 18 HN HIS 18 124.208 13.951 6.355 128 HA HIS 18 HA HIS 18 126.437 12.265 7.314 129 1HB HIS 18 HB2 HIS 18 125.783 13.174 9.559 130 2HB HIS 18 HB1 HIS 18 126.169 14.432 8.385 131 HD1 HIS 18 HD1 HIS 18 123.166 12.704 9.942 132 HD2 HIS 18 HD2 HIS 18 124.072 16.195 7.851 133 HE1 HIS 18 HE1 HIS 18 121.068 14.123 9.975 134 H LEU 19 HN LEU 19 126.045 10.636 9.013 135 HA LEU 19 HA LEU 19 123.908 8.844 8.325 136 1HB LEU 19 HB2 LEU 19 125.868 8.937 10.624 137 2HB LEU 19 HB1 LEU 19 124.652 7.668 10.485 138 HG LEU 19 HG LEU 19 126.416 8.301 8.136 139 1HD1 LEU 19 HD13 LEU 19 127.139 6.784 10.636 140 2HD1 LEU 19 HD12 LEU 19 127.838 6.333 9.081 141 3HD1 LEU 19 HD11 LEU 19 128.106 7.949 9.734 142 1HD2 LEU 19 HD22 LEU 19 124.334 6.707 8.232 143 2HD2 LEU 19 HD21 LEU 19 125.799 6.154 7.420 144 3HD2 LEU 19 HD23 LEU 19 125.439 5.607 9.057 145 HA PRO 20 HA PRO 20 120.699 10.494 10.964 146 1HB PRO 20 HB2 PRO 20 119.063 8.245 10.931 147 2HB PRO 20 HB1 PRO 20 119.089 9.508 9.693 148 1HG PRO 20 HG2 PRO 20 119.981 6.771 9.497 149 2HG PRO 20 HG1 PRO 20 119.846 7.990 8.222 150 1HD PRO 20 HD2 PRO 20 122.229 7.056 9.584 151 2HD PRO 20 HD1 PRO 20 122.096 8.135 8.188 152 H TRP 21 HN TRP 21 122.062 7.293 11.618 153 HA TRP 21 HA TRP 21 121.393 7.673 14.511 154 1HB TRP 21 HB2 TRP 21 121.614 5.180 14.680 155 2HB TRP 21 HB1 TRP 21 120.298 5.690 13.624 156 HD1 TRP 21 HD1 TRP 21 123.994 4.597 13.358 157 HE1 TRP 21 HE1 TRP 21 124.314 3.381 11.107 158 HE3 TRP 21 HE3 TRP 21 119.325 5.176 11.370 159 HZ2 TRP 21 HZ2 TRP 21 122.792 2.740 8.773 160 HZ3 TRP 21 HZ3 TRP 21 118.788 4.253 9.133 161 HH2 TRP 21 HH2 TRP 21 120.514 3.038 7.832 162 H HIS 22 HN HIS 22 123.108 6.003 15.731 163 HA HIS 22 HA HIS 22 125.835 6.591 14.687 164 1HB HIS 22 HB2 HIS 22 125.044 8.346 16.386 165 2HB HIS 22 HB1 HIS 22 125.102 7.054 17.585 166 HD1 HIS 22 HD1 HIS 22 127.342 8.977 15.214 167 HD2 HIS 22 HD2 HIS 22 127.683 6.362 18.443 168 HE1 HIS 22 HE1 HIS 22 129.791 8.951 15.858 169 H LEU 23 HN LEU 23 126.180 4.380 14.282 170 HA LEU 23 HA LEU 23 126.243 2.642 16.718 171 1HB LEU 23 HB2 LEU 23 124.443 2.098 14.965 172 2HB LEU 23 HB1 LEU 23 125.775 1.617 13.914 173 HG LEU 23 HG LEU 23 126.563 0.120 15.829 174 1HD1 LEU 23 HD12 LEU 23 123.926 1.106 16.870 175 2HD1 LEU 23 HD11 LEU 23 124.446 -0.534 17.258 176 3HD1 LEU 23 HD13 LEU 23 125.439 0.842 17.738 177 1HD2 LEU 23 HD22 LEU 23 125.028 -0.434 13.720 178 2HD2 LEU 23 HD21 LEU 23 125.348 -1.650 14.957 179 3HD2 LEU 23 HD23 LEU 23 123.830 -0.752 14.976 180 HA PRO 24 HA PRO 24 130.621 3.317 15.241 181 1HB PRO 24 HB2 PRO 24 131.285 2.074 17.789 182 2HB PRO 24 HB1 PRO 24 131.660 3.703 17.213 183 1HG PRO 24 HG2 PRO 24 129.668 2.907 19.105 184 2HG PRO 24 HG1 PRO 24 130.069 4.539 18.552 185 1HD PRO 24 HD2 PRO 24 127.706 3.123 17.990 186 2HD PRO 24 HD1 PRO 24 128.248 4.618 17.212 187 H ASP 25 HN ASP 25 129.020 0.509 16.679 188 HA ASP 25 HA ASP 25 130.994 -1.456 16.063 189 1HB ASP 25 HB2 ASP 25 128.925 -1.747 17.523 190 2HB ASP 25 HB1 ASP 25 128.001 -1.915 16.028 191 H ASP 26 HN ASP 26 128.299 -0.148 14.153 192 HA ASP 26 HA ASP 26 128.600 -1.928 11.919 193 1HB ASP 26 HB2 ASP 26 126.626 -0.374 12.437 194 2HB ASP 26 HB1 ASP 26 127.606 0.924 11.755 195 H LEU 27 HN LEU 27 130.220 1.040 12.869 196 HA LEU 27 HA LEU 27 131.473 1.541 10.305 197 1HB LEU 27 HB2 LEU 27 131.860 2.536 13.112 198 2HB LEU 27 HB1 LEU 27 133.102 2.867 11.903 199 HG LEU 27 HG LEU 27 130.187 3.438 11.365 200 1HD1 LEU 27 HD12 LEU 27 131.053 4.620 13.455 201 2HD1 LEU 27 HD11 LEU 27 132.199 5.448 12.400 202 3HD1 LEU 27 HD13 LEU 27 130.464 5.674 12.170 203 1HD2 LEU 27 HD23 LEU 27 131.978 3.331 9.534 204 2HD2 LEU 27 HD22 LEU 27 131.046 4.826 9.621 205 3HD2 LEU 27 HD21 LEU 27 132.681 4.766 10.280 206 H HIS 28 HN HIS 28 132.280 -0.384 13.136 207 HA HIS 28 HA HIS 28 135.045 -0.844 12.456 208 1HB HIS 28 HB2 HIS 28 133.109 -2.464 14.137 209 2HB HIS 28 HB1 HIS 28 134.843 -2.770 14.041 210 HD1 HIS 28 HD1 HIS 28 135.925 0.098 14.124 211 HD2 HIS 28 HD2 HIS 28 132.897 -1.273 16.640 212 HE1 HIS 28 HE1 HIS 28 135.926 1.624 16.144 213 H TYR 29 HN TYR 29 132.034 -2.628 11.799 214 HA TYR 29 HA TYR 29 133.299 -4.839 10.461 215 1HB TYR 29 HB2 TYR 29 130.877 -4.657 11.359 216 2HB TYR 29 HB1 TYR 29 130.520 -3.843 9.835 217 HD1 TYR 29 HD2 TYR 29 132.340 -6.890 11.068 218 HD2 TYR 29 HD1 TYR 29 129.830 -5.157 8.043 219 HE1 TYR 29 HE2 TYR 29 132.204 -9.086 9.922 220 HE2 TYR 29 HE1 TYR 29 129.695 -7.352 6.898 221 HH TYR 29 HH TYR 29 131.652 -9.681 7.154 222 H PHE 30 HN PHE 30 132.228 -1.655 9.407 223 HA PHE 30 HA PHE 30 132.369 -2.140 6.576 224 1HB PHE 30 HB2 PHE 30 131.254 -0.160 7.655 225 2HB PHE 30 HB1 PHE 30 132.854 0.477 8.030 226 HD1 PHE 30 HD2 PHE 30 131.133 -1.062 5.060 227 HD2 PHE 30 HD1 PHE 30 133.654 2.078 6.554 228 HE1 PHE 30 HE2 PHE 30 131.291 -0.102 2.777 229 HE2 PHE 30 HE1 PHE 30 133.813 3.038 4.273 230 HZ PHE 30 HZ PHE 30 132.632 1.948 2.385 231 H ARG 31 HN ARG 31 134.734 -0.942 8.948 232 HA ARG 31 HA ARG 31 136.841 -0.407 7.089 233 1HB ARG 31 HB2 ARG 31 136.622 0.196 9.623 234 2HB ARG 31 HB1 ARG 31 137.351 -1.386 9.892 235 1HG ARG 31 HG2 ARG 31 138.737 0.177 7.825 236 2HG ARG 31 HG1 ARG 31 138.743 0.962 9.403 237 1HD ARG 31 HD2 ARG 31 139.383 -1.962 9.250 238 2HD ARG 31 HD1 ARG 31 140.620 -0.795 8.781 239 HE ARG 31 HE ARG 31 139.768 -1.349 11.481 240 1HH1 ARG 31 HH11 ARG 31 140.815 1.229 9.361 241 2HH1 ARG 31 HH12 ARG 31 141.446 2.177 10.661 242 1HH2 ARG 31 HH21 ARG 31 140.599 -0.089 13.132 243 2HH2 ARG 31 HH22 ARG 31 141.327 1.441 12.774 244 H ALA 32 HN ALA 32 135.731 -3.361 8.635 245 HA ALA 32 HA ALA 32 138.079 -4.919 7.869 246 1HB ALA 32 HB1 ALA 32 136.585 -5.461 9.831 247 2HB ALA 32 HB3 ALA 32 135.340 -5.935 8.675 248 3HB ALA 32 HB2 ALA 32 136.866 -6.818 8.741 249 H GLN 33 HN GLN 33 134.944 -4.173 6.470 250 HA GLN 33 HA GLN 33 135.398 -6.139 4.288 251 1HB GLN 33 HB2 GLN 33 133.028 -4.445 5.100 252 2HB GLN 33 HB1 GLN 33 133.075 -5.326 3.571 253 1HG GLN 33 HG2 GLN 33 133.786 -6.836 6.043 254 2HG GLN 33 HG1 GLN 33 132.086 -6.433 5.798 255 1HE2 GLN 33 HE22 GLN 33 133.280 -9.644 3.962 256 2HE2 GLN 33 HE21 GLN 33 133.769 -9.062 5.480 257 H THR 34 HN THR 34 137.139 -3.848 4.467 258 HA THR 34 HA THR 34 136.631 -2.706 1.790 259 HB THR 34 HB THR 34 137.103 -0.382 2.672 260 HG1 THR 34 HG1 THR 34 136.504 -1.634 5.144 261 1HG2 THR 34 HG21 THR 34 134.819 -1.139 2.102 262 2HG2 THR 34 HG23 THR 34 134.620 -1.751 3.743 263 3HG2 THR 34 HG22 THR 34 134.806 -0.019 3.464 264 H VAL 35 HN VAL 35 138.757 -2.697 4.656 265 HA VAL 35 HA VAL 35 141.126 -1.847 3.321 266 HB VAL 35 HB VAL 35 142.324 -2.906 5.236 267 1HG1 VAL 35 HG11 VAL 35 139.819 -1.317 5.860 268 2HG1 VAL 35 HG13 VAL 35 141.115 -1.600 7.021 269 3HG1 VAL 35 HG12 VAL 35 141.434 -0.679 5.552 270 1HG2 VAL 35 HG22 VAL 35 139.688 -4.256 5.478 271 2HG2 VAL 35 HG21 VAL 35 141.292 -4.830 5.931 272 3HG2 VAL 35 HG23 VAL 35 140.417 -3.727 6.994 273 H GLY 36 HN GLY 36 142.185 -2.872 1.706 274 1HA GLY 36 HA2 GLY 36 143.495 -4.831 0.992 275 2HA GLY 36 HA1 GLY 36 142.269 -5.858 1.735 276 H LYS 37 HN LYS 37 140.075 -4.145 0.631 277 HA LYS 37 HA LYS 37 140.161 -5.215 -2.156 278 1HB LYS 37 HB2 LYS 37 137.828 -4.522 -0.346 279 2HB LYS 37 HB1 LYS 37 137.659 -5.019 -2.032 280 1HG LYS 37 HG2 LYS 37 138.447 -7.189 -1.605 281 2HG LYS 37 HG1 LYS 37 139.227 -6.711 -0.098 282 1HD LYS 37 HD2 LYS 37 136.860 -6.174 0.759 283 2HD LYS 37 HD1 LYS 37 136.280 -7.088 -0.635 284 1HE LYS 37 HE2 LYS 37 138.359 -8.276 1.185 285 2HE LYS 37 HE1 LYS 37 136.654 -8.346 1.627 286 1HZ LYS 37 HZ2 LYS 37 137.722 -9.266 -0.984 287 2HZ LYS 37 HZ1 LYS 37 137.456 -10.293 0.343 288 3HZ LYS 37 HZ3 LYS 37 136.151 -9.489 -0.380 289 H ILE 38 HN ILE 38 138.465 -3.790 -3.548 290 HA ILE 38 HA ILE 38 139.568 -1.037 -3.459 291 HB ILE 38 HB ILE 38 137.836 -2.343 -5.580 292 1HG1 ILE 38 HG12 ILE 38 140.833 -1.930 -5.661 293 2HG1 ILE 38 HG11 ILE 38 140.110 -3.435 -5.092 294 1HG2 ILE 38 HG23 ILE 38 137.953 0.189 -5.467 295 2HG2 ILE 38 HG22 ILE 38 139.685 0.050 -5.771 296 3HG2 ILE 38 HG21 ILE 38 138.528 -0.512 -6.979 297 1HD1 ILE 38 HD13 ILE 38 139.268 -2.273 -7.735 298 2HD1 ILE 38 HD12 ILE 38 140.756 -3.213 -7.620 299 3HD1 ILE 38 HD11 ILE 38 139.212 -3.950 -7.191 300 H MET 39 HN MET 39 138.395 0.352 -2.232 301 HA MET 39 HA MET 39 135.545 -0.057 -1.731 302 1HB MET 39 HB2 MET 39 137.306 0.988 -0.140 303 2HB MET 39 HB1 MET 39 137.081 2.457 -1.088 304 1HG MET 39 HG2 MET 39 134.702 2.476 -0.588 305 2HG MET 39 HG1 MET 39 134.827 0.922 0.235 306 1HE MET 39 HE2 MET 39 136.386 4.137 -0.263 307 2HE MET 39 HE1 MET 39 135.562 5.021 1.019 308 3HE MET 39 HE3 MET 39 137.254 4.544 1.217 309 H VAL 40 HN VAL 40 134.265 0.291 -3.514 310 HA VAL 40 HA VAL 40 134.787 2.662 -5.226 311 HB VAL 40 HB VAL 40 132.717 0.472 -5.567 312 1HG1 VAL 40 HG11 VAL 40 133.691 2.780 -7.230 313 2HG1 VAL 40 HG13 VAL 40 133.072 1.330 -8.021 314 3HG1 VAL 40 HG12 VAL 40 132.037 2.249 -6.928 315 1HG2 VAL 40 HG23 VAL 40 135.566 0.740 -6.551 316 2HG2 VAL 40 HG22 VAL 40 134.848 -0.605 -5.665 317 3HG2 VAL 40 HG21 VAL 40 134.392 -0.311 -7.342 318 H VAL 41 HN VAL 41 133.579 4.487 -5.013 319 HA VAL 41 HA VAL 41 130.858 4.328 -3.859 320 HB VAL 41 HB VAL 41 131.391 6.182 -2.256 321 1HG1 VAL 41 HG13 VAL 41 131.425 3.667 -1.706 322 2HG1 VAL 41 HG12 VAL 41 133.183 3.802 -1.755 323 3HG1 VAL 41 HG11 VAL 41 132.259 4.738 -0.581 324 1HG2 VAL 41 HG22 VAL 41 133.470 6.886 -3.538 325 2HG2 VAL 41 HG21 VAL 41 133.684 6.753 -1.792 326 3HG2 VAL 41 HG23 VAL 41 134.278 5.475 -2.853 327 H GLY 42 HN GLY 42 130.032 6.800 -3.774 328 1HA GLY 42 HA2 GLY 42 130.583 7.872 -6.494 329 2HA GLY 42 HA1 GLY 42 129.149 8.226 -5.530 330 H ARG 43 HN ARG 43 129.872 10.497 -6.224 331 HA ARG 43 HA ARG 43 132.210 11.629 -4.905 332 1HB ARG 43 HB2 ARG 43 131.110 12.469 -7.064 333 2HB ARG 43 HB1 ARG 43 129.863 13.168 -6.031 334 1HG ARG 43 HG2 ARG 43 131.277 14.763 -5.166 335 2HG ARG 43 HG1 ARG 43 132.695 13.720 -5.286 336 1HD ARG 43 HD2 ARG 43 133.243 14.565 -7.305 337 2HD ARG 43 HD1 ARG 43 131.607 14.333 -7.921 338 HE ARG 43 HE ARG 43 132.708 16.821 -6.921 339 1HH1 ARG 43 HH21 ARG 43 129.775 14.934 -7.197 340 2HH1 ARG 43 HH22 ARG 43 128.753 16.327 -7.130 341 1HH2 ARG 43 HH11 ARG 43 131.347 18.595 -6.836 342 2HH2 ARG 43 HH12 ARG 43 129.631 18.378 -6.928 343 H ARG 44 HN ARG 44 128.707 11.611 -4.309 344 HA ARG 44 HA ARG 44 128.723 13.415 -2.088 345 1HB ARG 44 HB2 ARG 44 126.854 11.403 -3.217 346 2HB ARG 44 HB1 ARG 44 126.629 11.783 -1.509 347 1HG ARG 44 HG2 ARG 44 127.029 14.067 -3.390 348 2HG ARG 44 HG1 ARG 44 125.471 13.241 -3.426 349 1HD ARG 44 HD2 ARG 44 125.002 13.761 -1.178 350 2HD ARG 44 HD1 ARG 44 126.693 14.100 -0.810 351 HE ARG 44 HE ARG 44 125.804 15.948 -2.794 352 1HH1 ARG 44 HH21 ARG 44 125.338 15.180 0.587 353 2HH1 ARG 44 HH22 ARG 44 124.949 16.812 1.007 354 1HH2 ARG 44 HH11 ARG 44 125.296 18.046 -2.205 355 2HH2 ARG 44 HH12 ARG 44 124.924 18.418 -0.555 356 H THR 45 HN THR 45 128.924 9.852 -2.226 357 HA THR 45 HA THR 45 129.156 9.508 0.626 358 HB THR 45 HB THR 45 130.271 7.625 -1.458 359 HG1 THR 45 HG1 THR 45 128.324 7.517 -2.195 360 1HG2 THR 45 HG21 THR 45 130.621 7.228 1.021 361 2HG2 THR 45 HG23 THR 45 128.870 7.072 1.166 362 3HG2 THR 45 HG22 THR 45 129.778 5.932 0.172 363 H TYR 46 HN TYR 46 131.460 10.152 -1.948 364 HA TYR 46 HA TYR 46 133.860 9.462 -0.557 365 1HB TYR 46 HB2 TYR 46 133.649 10.013 -3.021 366 2HB TYR 46 HB1 TYR 46 133.542 11.712 -2.560 367 HD1 TYR 46 HD2 TYR 46 135.647 8.757 -1.575 368 HD2 TYR 46 HD1 TYR 46 135.537 12.884 -2.761 369 HE1 TYR 46 HE2 TYR 46 138.120 8.869 -1.412 370 HE2 TYR 46 HE1 TYR 46 138.010 12.996 -2.599 371 HH TYR 46 HH TYR 46 139.824 11.494 -1.112 372 H GLU 47 HN GLU 47 132.195 12.612 -0.877 373 HA GLU 47 HA GLU 47 133.978 13.968 0.952 374 1HB GLU 47 HB2 GLU 47 131.193 14.671 -0.018 375 2HB GLU 47 HB1 GLU 47 132.228 15.752 0.916 376 1HG GLU 47 HG2 GLU 47 133.962 15.590 -0.854 377 2HG GLU 47 HG1 GLU 47 132.877 14.570 -1.800 378 H SER 48 HN SER 48 131.170 11.948 1.377 379 HA SER 48 HA SER 48 130.267 12.909 3.907 380 1HB SER 48 HB2 SER 48 129.089 11.233 2.412 381 2HB SER 48 HB1 SER 48 130.238 10.025 2.981 382 HG SER 48 HG SER 48 128.284 10.084 4.211 383 H PHE 49 HN PHE 49 132.984 10.878 3.001 384 HA PHE 49 HA PHE 49 133.503 9.801 5.625 385 1HB PHE 49 HB2 PHE 49 135.523 10.313 3.422 386 2HB PHE 49 HB1 PHE 49 135.661 9.151 4.740 387 HD1 PHE 49 HD2 PHE 49 133.157 7.773 4.873 388 HD2 PHE 49 HD1 PHE 49 135.233 9.208 1.396 389 HE1 PHE 49 HE2 PHE 49 132.009 6.071 3.483 390 HE2 PHE 49 HE1 PHE 49 134.086 7.505 0.008 391 HZ PHE 49 HZ PHE 49 132.473 5.936 1.051 392 HA PRO 50 HA PRO 50 135.493 13.278 7.569 393 1HB PRO 50 HB2 PRO 50 137.210 11.847 9.252 394 2HB PRO 50 HB1 PRO 50 135.521 12.248 9.595 395 1HG PRO 50 HG2 PRO 50 136.665 9.670 9.077 396 2HG PRO 50 HG1 PRO 50 134.987 10.071 9.471 397 1HD PRO 50 HD2 PRO 50 136.151 9.401 6.880 398 2HD PRO 50 HD1 PRO 50 134.446 9.508 7.347 399 H LYS 51 HN LYS 51 137.950 10.699 7.141 400 HA LYS 51 HA LYS 51 139.850 12.789 6.179 401 1HB LYS 51 HB2 LYS 51 140.539 11.368 8.124 402 2HB LYS 51 HB1 LYS 51 140.428 9.950 7.081 403 1HG LYS 51 HG2 LYS 51 141.999 11.456 5.520 404 2HG LYS 51 HG1 LYS 51 142.443 12.151 7.080 405 1HD LYS 51 HD2 LYS 51 142.355 9.163 6.735 406 2HD LYS 51 HD1 LYS 51 143.768 10.074 6.201 407 1HE LYS 51 HE2 LYS 51 142.665 10.574 8.945 408 2HE LYS 51 HE1 LYS 51 143.659 9.143 8.667 409 1HZ LYS 51 HZ3 LYS 51 144.469 11.899 7.924 410 2HZ LYS 51 HZ2 LYS 51 144.927 11.132 9.368 411 3HZ LYS 51 HZ1 LYS 51 145.431 10.503 7.872 412 H ARG 52 HN ARG 52 139.608 12.944 3.978 413 HA ARG 52 HA ARG 52 139.396 10.416 2.412 414 1HB ARG 52 HB2 ARG 52 138.918 13.254 1.460 415 2HB ARG 52 HB1 ARG 52 138.520 11.767 0.600 416 1HG ARG 52 HG2 ARG 52 136.828 11.189 2.191 417 2HG ARG 52 HG1 ARG 52 137.364 12.440 3.313 418 1HD ARG 52 HD2 ARG 52 136.079 12.867 0.601 419 2HD ARG 52 HD1 ARG 52 135.377 13.241 2.175 420 HE ARG 52 HE ARG 52 137.323 14.864 0.737 421 1HH1 ARG 52 HH11 ARG 52 136.064 14.009 3.886 422 2HH1 ARG 52 HH12 ARG 52 136.574 15.496 4.604 423 1HH2 ARG 52 HH21 ARG 52 137.966 16.774 1.709 424 2HH2 ARG 52 HH22 ARG 52 137.639 17.046 3.388 425 HA PRO 53 HA PRO 53 139.843 9.470 0.654 426 1HB PRO 53 HB2 PRO 53 141.835 7.786 -0.329 427 2HB PRO 53 HB1 PRO 53 140.896 8.933 -1.295 428 1HG PRO 53 HG2 PRO 53 143.689 9.025 -0.653 429 2HG PRO 53 HG1 PRO 53 142.753 10.145 -1.652 430 1HD PRO 53 HD2 PRO 53 143.657 10.459 1.118 431 2HD PRO 53 HD1 PRO 53 143.057 11.686 -0.011 432 H LEU 54 HN LEU 54 139.827 7.092 1.311 433 HA LEU 54 HA LEU 54 140.773 6.849 4.058 434 1HB LEU 54 HB2 LEU 54 139.197 5.070 2.203 435 2HB LEU 54 HB1 LEU 54 139.749 4.490 3.775 436 HG LEU 54 HG LEU 54 138.149 7.034 3.404 437 1HD1 LEU 54 HD11 LEU 54 137.322 4.192 3.592 438 2HD1 LEU 54 HD13 LEU 54 136.465 5.304 4.659 439 3HD1 LEU 54 HD12 LEU 54 136.460 5.575 2.918 440 1HD2 LEU 54 HD22 LEU 54 139.127 5.412 5.753 441 2HD2 LEU 54 HD21 LEU 54 139.294 7.145 5.465 442 3HD2 LEU 54 HD23 LEU 54 137.725 6.471 5.908 443 HA PRO 55 HA PRO 55 144.612 4.838 2.809 444 1HB PRO 55 HB2 PRO 55 145.486 4.363 5.412 445 2HB PRO 55 HB1 PRO 55 145.779 5.839 4.482 446 1HG PRO 55 HG2 PRO 55 144.099 5.472 6.794 447 2HG PRO 55 HG1 PRO 55 144.508 6.970 5.947 448 1HD PRO 55 HD2 PRO 55 142.047 5.436 5.830 449 2HD PRO 55 HD1 PRO 55 142.399 7.032 5.149 450 H GLU 56 HN GLU 56 145.752 2.715 3.417 451 HA GLU 56 HA GLU 56 145.669 0.384 3.622 452 1HB GLU 56 HB2 GLU 56 143.849 1.388 5.750 453 2HB GLU 56 HB1 GLU 56 143.690 -0.315 5.322 454 1HG GLU 56 HG2 GLU 56 146.331 -0.271 5.470 455 2HG GLU 56 HG1 GLU 56 146.037 1.134 6.496 456 H ARG 57 HN ARG 57 143.947 1.838 1.625 457 HA ARG 57 HA ARG 57 142.609 -0.423 0.516 458 1HB ARG 57 HB2 ARG 57 140.248 0.315 0.796 459 2HB ARG 57 HB1 ARG 57 140.997 -0.116 2.334 460 1HG ARG 57 HG2 ARG 57 141.606 2.432 2.446 461 2HG ARG 57 HG1 ARG 57 140.309 2.608 1.266 462 1HD ARG 57 HD2 ARG 57 138.969 2.721 3.106 463 2HD ARG 57 HD1 ARG 57 139.119 0.964 3.097 464 HE ARG 57 HE ARG 57 141.326 2.059 4.537 465 1HH1 ARG 57 HH21 ARG 57 137.862 1.648 4.801 466 2HH1 ARG 57 HH22 ARG 57 137.897 1.622 6.529 467 1HH2 ARG 57 HH11 ARG 57 141.324 2.018 6.772 468 2HH2 ARG 57 HH12 ARG 57 139.835 1.829 7.636 469 H THR 58 HN THR 58 141.525 0.134 -1.518 470 HA THR 58 HA THR 58 142.679 2.567 -2.714 471 HB THR 58 HB THR 58 140.920 0.485 -4.037 472 HG1 THR 58 HG1 THR 58 143.734 0.584 -3.706 473 1HG2 THR 58 HG21 THR 58 141.473 2.792 -5.101 474 2HG2 THR 58 HG23 THR 58 143.100 2.139 -5.294 475 3HG2 THR 58 HG22 THR 58 141.731 1.342 -6.071 476 H ASN 59 HN ASN 59 141.449 4.280 -3.560 477 HA ASN 59 HA ASN 59 138.568 4.300 -2.747 478 1HB ASN 59 HB2 ASN 59 140.589 6.556 -2.884 479 2HB ASN 59 HB1 ASN 59 138.859 6.808 -2.645 480 1HD2 ASN 59 HD22 ASN 59 141.007 5.009 0.374 481 2HD2 ASN 59 HD21 ASN 59 141.569 4.887 -1.223 482 H VAL 60 HN VAL 60 137.357 4.022 -4.558 483 HA VAL 60 HA VAL 60 138.267 5.343 -7.082 484 HB VAL 60 HB VAL 60 136.303 3.053 -6.767 485 1HG1 VAL 60 HG11 VAL 60 136.246 4.624 -8.820 486 2HG1 VAL 60 HG13 VAL 60 137.800 3.909 -9.245 487 3HG1 VAL 60 HG12 VAL 60 136.364 2.892 -9.128 488 1HG2 VAL 60 HG22 VAL 60 139.248 3.060 -7.501 489 2HG2 VAL 60 HG21 VAL 60 138.531 2.338 -6.061 490 3HG2 VAL 60 HG23 VAL 60 138.183 1.663 -7.652 491 H VAL 61 HN VAL 61 137.257 7.317 -7.108 492 HA VAL 61 HA VAL 61 134.451 7.543 -6.191 493 HB VAL 61 HB VAL 61 136.296 9.694 -7.273 494 1HG1 VAL 61 HG12 VAL 61 133.833 10.164 -7.293 495 2HG1 VAL 61 HG11 VAL 61 133.804 9.880 -5.552 496 3HG1 VAL 61 HG13 VAL 61 134.732 11.227 -6.211 497 1HG2 VAL 61 HG22 VAL 61 135.763 8.749 -4.439 498 2HG2 VAL 61 HG21 VAL 61 137.307 8.724 -5.290 499 3HG2 VAL 61 HG23 VAL 61 136.577 10.262 -4.834 500 H LEU 62 HN LEU 62 132.744 7.707 -7.585 501 HA LEU 62 HA LEU 62 133.369 7.932 -10.505 502 1HB LEU 62 HB2 LEU 62 132.541 5.672 -9.783 503 2HB LEU 62 HB1 LEU 62 131.047 6.442 -9.245 504 HG LEU 62 HG LEU 62 131.015 7.438 -11.676 505 1HD1 LEU 62 HD11 LEU 62 133.025 5.212 -11.803 506 2HD1 LEU 62 HD13 LEU 62 131.958 5.484 -13.180 507 3HD1 LEU 62 HD12 LEU 62 133.031 6.769 -12.631 508 1HD2 LEU 62 HD22 LEU 62 130.279 4.685 -10.730 509 2HD2 LEU 62 HD21 LEU 62 129.227 6.036 -11.153 510 3HD2 LEU 62 HD23 LEU 62 130.020 5.104 -12.423 511 H THR 63 HN THR 63 132.660 9.859 -11.262 512 HA THR 63 HA THR 63 130.038 10.889 -10.273 513 HB THR 63 HB THR 63 131.748 12.189 -9.131 514 HG1 THR 63 HG1 THR 63 130.170 13.530 -9.721 515 1HG2 THR 63 HG23 THR 63 132.904 12.508 -11.909 516 2HG2 THR 63 HG22 THR 63 133.398 13.496 -10.534 517 3HG2 THR 63 HG21 THR 63 133.669 11.753 -10.511 518 H HIS 64 HN HIS 64 129.352 12.790 -11.828 519 HA HIS 64 HA HIS 64 129.796 11.810 -14.612 520 1HB HIS 64 HB2 HIS 64 127.662 13.031 -15.116 521 2HB HIS 64 HB1 HIS 64 127.462 11.741 -13.930 522 HD1 HIS 64 HD1 HIS 64 126.001 12.484 -12.063 523 HD2 HIS 64 HD2 HIS 64 128.369 15.611 -13.477 524 HE1 HIS 64 HE1 HIS 64 125.447 14.503 -10.638 525 H GLN 65 HN GLN 65 131.601 13.650 -13.137 526 HA GLN 65 HA GLN 65 131.400 15.982 -14.999 527 1HB GLN 65 HB2 GLN 65 130.828 16.516 -12.572 528 2HB GLN 65 HB1 GLN 65 132.503 16.129 -12.184 529 1HG GLN 65 HG2 GLN 65 133.340 17.965 -13.334 530 2HG GLN 65 HG1 GLN 65 131.950 18.049 -14.417 531 1HE2 GLN 65 HE22 GLN 65 131.884 20.661 -11.562 532 2HE2 GLN 65 HE21 GLN 65 133.208 20.109 -12.471 533 H GLU 66 HN GLU 66 133.348 16.612 -15.944 534 HA GLU 66 HA GLU 66 135.638 14.756 -15.500 535 1HB GLU 66 HB2 GLU 66 134.755 16.477 -17.809 536 2HB GLU 66 HB1 GLU 66 136.426 15.924 -17.698 537 1HG GLU 66 HG2 GLU 66 135.661 13.590 -17.564 538 2HG GLU 66 HG1 GLU 66 133.983 14.128 -17.647 539 H ASP 67 HN ASP 67 135.052 16.972 -13.677 540 HA ASP 67 HA ASP 67 137.604 18.481 -14.027 541 1HB ASP 67 HB2 ASP 67 135.372 19.762 -14.575 542 2HB ASP 67 HB1 ASP 67 135.200 19.820 -12.821 543 H TYR 68 HN TYR 68 136.749 16.126 -12.356 544 HA TYR 68 HA TYR 68 136.808 17.246 -9.615 545 1HB TYR 68 HB2 TYR 68 135.378 15.209 -10.467 546 2HB TYR 68 HB1 TYR 68 136.878 14.308 -10.240 547 HD1 TYR 68 HD1 TYR 68 135.001 16.994 -8.394 548 HD2 TYR 68 HD2 TYR 68 137.055 13.227 -8.193 549 HE1 TYR 68 HE1 TYR 68 134.567 16.888 -5.955 550 HE2 TYR 68 HE2 TYR 68 136.622 13.121 -5.753 551 HH TYR 68 HH TYR 68 136.168 15.005 -3.884 552 H GLN 69 HN GLN 69 138.467 16.547 -8.094 553 HA GLN 69 HA GLN 69 140.909 15.334 -9.251 554 1HB GLN 69 HB2 GLN 69 140.633 18.169 -8.367 555 2HB GLN 69 HB1 GLN 69 142.110 17.323 -7.903 556 1HG GLN 69 HG2 GLN 69 141.093 17.239 -10.741 557 2HG GLN 69 HG1 GLN 69 142.110 18.563 -10.174 558 1HE2 GLN 69 HE22 GLN 69 144.894 16.553 -11.018 559 2HE2 GLN 69 HE21 GLN 69 144.049 17.999 -11.299 560 H ALA 70 HN ALA 70 140.840 13.596 -7.841 561 HA ALA 70 HA ALA 70 140.416 14.069 -4.953 562 1HB ALA 70 HB3 ALA 70 139.449 12.084 -6.279 563 2HB ALA 70 HB2 ALA 70 141.087 11.430 -6.265 564 3HB ALA 70 HB1 ALA 70 140.234 11.707 -4.746 565 H GLN 71 HN GLN 71 142.018 13.637 -3.376 566 HA GLN 71 HA GLN 71 144.800 13.779 -4.407 567 1HB GLN 71 HB2 GLN 71 143.609 14.253 -1.660 568 2HB GLN 71 HB1 GLN 71 145.340 14.311 -1.999 569 1HG GLN 71 HG2 GLN 71 144.705 16.559 -2.217 570 2HG GLN 71 HG1 GLN 71 144.666 15.986 -3.885 571 1HE2 GLN 71 HE22 GLN 71 141.027 16.389 -1.989 572 2HE2 GLN 71 HE21 GLN 71 142.365 15.853 -1.093 573 H GLY 72 HN GLY 72 145.141 11.583 -4.968 574 1HA GLY 72 HA2 GLY 72 146.313 9.604 -4.163 575 2HA GLY 72 HA1 GLY 72 145.471 9.776 -2.622 576 H ALA 73 HN ALA 73 142.874 10.294 -3.968 577 HA ALA 73 HA ALA 73 142.104 7.485 -4.348 578 1HB ALA 73 HB1 ALA 73 140.797 9.525 -3.202 579 2HB ALA 73 HB3 ALA 73 140.179 9.710 -4.843 580 3HB ALA 73 HB2 ALA 73 139.941 8.192 -3.978 581 H VAL 74 HN VAL 74 140.949 6.749 -6.273 582 HA VAL 74 HA VAL 74 142.075 7.933 -8.736 583 HB VAL 74 HB VAL 74 140.342 5.466 -8.409 584 1HG1 VAL 74 HG12 VAL 74 140.510 6.496 -10.699 585 2HG1 VAL 74 HG11 VAL 74 142.257 6.261 -10.621 586 3HG1 VAL 74 HG13 VAL 74 141.177 4.866 -10.604 587 1HG2 VAL 74 HG22 VAL 74 143.307 5.926 -8.171 588 2HG2 VAL 74 HG21 VAL 74 142.254 4.942 -7.154 589 3HG2 VAL 74 HG23 VAL 74 142.701 4.380 -8.764 590 H VAL 75 HN VAL 75 140.760 8.662 -10.477 591 HA VAL 75 HA VAL 75 137.901 9.186 -9.760 592 HB VAL 75 HB VAL 75 139.722 10.996 -11.374 593 1HG1 VAL 75 HG11 VAL 75 136.858 11.129 -10.443 594 2HG1 VAL 75 HG13 VAL 75 137.768 12.603 -10.776 595 3HG1 VAL 75 HG12 VAL 75 137.507 11.420 -12.057 596 1HG2 VAL 75 HG23 VAL 75 138.852 11.056 -8.474 597 2HG2 VAL 75 HG22 VAL 75 140.498 11.069 -9.106 598 3HG2 VAL 75 HG21 VAL 75 139.463 12.482 -9.312 599 H VAL 76 HN VAL 76 136.752 7.826 -11.057 600 HA VAL 76 HA VAL 76 137.594 7.581 -13.919 601 HB VAL 76 HB VAL 76 136.300 5.431 -13.890 602 1HG1 VAL 76 HG13 VAL 76 138.533 5.739 -11.860 603 2HG1 VAL 76 HG12 VAL 76 137.973 4.195 -12.501 604 3HG1 VAL 76 HG11 VAL 76 138.718 5.378 -13.576 605 1HG2 VAL 76 HG22 VAL 76 134.918 6.221 -11.861 606 2HG2 VAL 76 HG21 VAL 76 135.451 4.540 -11.855 607 3HG2 VAL 76 HG23 VAL 76 136.304 5.740 -10.882 608 H HIS 77 HN HIS 77 135.822 7.482 -15.492 609 HA HIS 77 HA HIS 77 133.223 8.567 -14.523 610 1HB HIS 77 HB2 HIS 77 134.823 9.710 -16.835 611 2HB HIS 77 HB1 HIS 77 133.213 10.232 -16.341 612 HD1 HIS 77 HD1 HIS 77 136.485 11.383 -16.042 613 HD2 HIS 77 HD2 HIS 77 133.473 10.776 -13.225 614 HE1 HIS 77 HE1 HIS 77 137.081 12.810 -14.035 615 H ASP 78 HN ASP 78 134.010 5.911 -15.439 616 HA ASP 78 HA ASP 78 132.015 5.621 -17.595 617 1HB ASP 78 HB2 ASP 78 134.946 5.117 -17.919 618 2HB ASP 78 HB1 ASP 78 133.822 3.993 -18.687 619 H VAL 79 HN VAL 79 130.879 3.734 -17.335 620 HA VAL 79 HA VAL 79 131.196 2.169 -14.966 621 HB VAL 79 HB VAL 79 129.751 1.372 -17.510 622 1HG1 VAL 79 HG13 VAL 79 130.118 -0.372 -15.711 623 2HG1 VAL 79 HG12 VAL 79 129.178 0.651 -14.624 624 3HG1 VAL 79 HG11 VAL 79 128.424 -0.030 -16.066 625 1HG2 VAL 79 HG21 VAL 79 129.071 3.274 -15.286 626 2HG2 VAL 79 HG23 VAL 79 128.772 3.433 -17.016 627 3HG2 VAL 79 HG22 VAL 79 127.780 2.344 -16.046 628 H ALA 80 HN ALA 80 132.253 1.651 -18.312 629 HA ALA 80 HA ALA 80 133.205 -1.037 -17.921 630 1HB ALA 80 HB3 ALA 80 133.743 1.117 -19.958 631 2HB ALA 80 HB2 ALA 80 134.673 -0.381 -19.975 632 3HB ALA 80 HB1 ALA 80 132.922 -0.428 -20.177 633 H ALA 81 HN ALA 81 134.638 2.151 -17.448 634 HA ALA 81 HA ALA 81 137.349 1.251 -17.080 635 1HB ALA 81 HB3 ALA 81 136.671 3.630 -17.522 636 2HB ALA 81 HB2 ALA 81 136.027 3.703 -15.881 637 3HB ALA 81 HB1 ALA 81 137.753 3.454 -16.140 638 H VAL 82 HN VAL 82 134.564 1.556 -14.939 639 HA VAL 82 HA VAL 82 136.001 1.192 -12.468 640 HB VAL 82 HB VAL 82 133.116 0.486 -13.093 641 1HG1 VAL 82 HG13 VAL 82 134.732 0.812 -10.578 642 2HG1 VAL 82 HG12 VAL 82 133.009 1.189 -10.562 643 3HG1 VAL 82 HG11 VAL 82 133.553 -0.434 -10.987 644 1HG2 VAL 82 HG22 VAL 82 134.008 2.901 -13.574 645 2HG2 VAL 82 HG21 VAL 82 132.530 2.714 -12.630 646 3HG2 VAL 82 HG23 VAL 82 134.060 3.047 -11.818 647 H PHE 83 HN PHE 83 134.497 -1.036 -14.778 648 HA PHE 83 HA PHE 83 135.035 -3.388 -13.125 649 1HB PHE 83 HB2 PHE 83 133.992 -2.932 -15.913 650 2HB PHE 83 HB1 PHE 83 134.459 -4.550 -15.391 651 HD1 PHE 83 HD1 PHE 83 133.613 -5.015 -12.806 652 HD2 PHE 83 HD2 PHE 83 131.725 -2.467 -15.702 653 HE1 PHE 83 HE1 PHE 83 131.454 -5.256 -11.610 654 HE2 PHE 83 HE2 PHE 83 129.566 -2.708 -14.506 655 HZ PHE 83 HZ PHE 83 129.430 -4.102 -12.460 656 H ALA 84 HN ALA 84 136.601 -1.683 -15.778 657 HA ALA 84 HA ALA 84 138.506 -3.713 -16.469 658 1HB ALA 84 HB2 ALA 84 138.004 -1.657 -17.832 659 2HB ALA 84 HB1 ALA 84 138.887 -0.710 -16.634 660 3HB ALA 84 HB3 ALA 84 139.726 -1.939 -17.581 661 H TYR 85 HN TYR 85 138.491 -1.159 -14.018 662 HA TYR 85 HA TYR 85 141.229 -1.411 -13.213 663 1HB TYR 85 HB2 TYR 85 139.619 0.451 -12.575 664 2HB TYR 85 HB1 TYR 85 138.906 -0.671 -11.416 665 HD1 TYR 85 HD1 TYR 85 140.203 -1.490 -9.486 666 HD2 TYR 85 HD2 TYR 85 141.837 1.376 -12.236 667 HE1 TYR 85 HE1 TYR 85 142.005 -0.964 -7.865 668 HE2 TYR 85 HE2 TYR 85 143.640 1.903 -10.616 669 HH TYR 85 HH TYR 85 144.765 0.448 -8.582 670 H ALA 86 HN ALA 86 138.284 -3.133 -12.269 671 HA ALA 86 HA ALA 86 139.593 -4.641 -10.146 672 1HB ALA 86 HB3 ALA 86 137.068 -4.117 -10.404 673 2HB ALA 86 HB2 ALA 86 137.048 -5.461 -11.546 674 3HB ALA 86 HB1 ALA 86 137.516 -5.736 -9.868 675 H LYS 87 HN LYS 87 138.917 -5.117 -13.571 676 HA LYS 87 HA LYS 87 139.513 -7.916 -13.700 677 1HB LYS 87 HB2 LYS 87 138.477 -6.315 -15.495 678 2HB LYS 87 HB1 LYS 87 140.156 -6.021 -15.948 679 1HG LYS 87 HG2 LYS 87 140.509 -8.239 -16.599 680 2HG LYS 87 HG1 LYS 87 139.173 -8.842 -15.617 681 1HD LYS 87 HD2 LYS 87 137.543 -7.904 -17.124 682 2HD LYS 87 HD1 LYS 87 138.792 -7.043 -18.023 683 1HE LYS 87 HE2 LYS 87 139.790 -9.203 -18.698 684 2HE LYS 87 HE1 LYS 87 138.522 -10.057 -17.818 685 1HZ LYS 87 HZ1 LYS 87 136.915 -8.762 -19.244 686 2HZ LYS 87 HZ3 LYS 87 138.243 -8.335 -20.209 687 3HZ LYS 87 HZ2 LYS 87 137.812 -9.969 -20.035 688 H GLN 88 HN GLN 88 141.555 -5.023 -14.100 689 HA GLN 88 HA GLN 88 143.974 -6.430 -14.719 690 1HB GLN 88 HB2 GLN 88 143.417 -3.884 -14.890 691 2HB GLN 88 HB1 GLN 88 143.942 -3.826 -13.207 692 1HG GLN 88 HG2 GLN 88 146.125 -4.624 -13.758 693 2HG GLN 88 HG1 GLN 88 145.622 -5.079 -15.387 694 1HE2 GLN 88 HE22 GLN 88 145.639 -1.671 -16.586 695 2HE2 GLN 88 HE21 GLN 88 144.828 -3.148 -16.783 696 H HIS 89 HN HIS 89 142.353 -5.684 -11.695 697 HA HIS 89 HA HIS 89 144.603 -6.998 -10.222 698 1HB HIS 89 HB2 HIS 89 142.542 -5.022 -9.194 699 2HB HIS 89 HB1 HIS 89 143.823 -5.760 -8.233 700 HD1 HIS 89 HD1 HIS 89 143.656 -2.663 -8.710 701 HD2 HIS 89 HD2 HIS 89 146.009 -5.283 -10.940 702 HE1 HIS 89 HE1 HIS 89 145.510 -1.270 -9.729 703 HA PRO 90 HA PRO 90 141.117 -9.981 -9.857 704 1HB PRO 90 HB2 PRO 90 142.911 -12.155 -9.766 705 2HB PRO 90 HB1 PRO 90 141.986 -11.609 -11.171 706 1HG PRO 90 HG2 PRO 90 144.806 -11.477 -10.766 707 2HG PRO 90 HG1 PRO 90 143.875 -10.909 -12.158 708 1HD PRO 90 HD2 PRO 90 145.064 -9.360 -9.988 709 2HD PRO 90 HD1 PRO 90 144.414 -8.800 -11.537 710 H ASP 91 HN ASP 91 144.125 -9.654 -8.062 711 HA ASP 91 HA ASP 91 143.474 -11.358 -5.852 712 1HB ASP 91 HB2 ASP 91 145.318 -9.003 -6.216 713 2HB ASP 91 HB1 ASP 91 145.089 -9.720 -4.621 714 H GLN 92 HN GLN 92 142.653 -8.020 -6.630 715 HA GLN 92 HA GLN 92 141.239 -7.744 -4.024 716 1HB GLN 92 HB2 GLN 92 142.171 -5.803 -6.127 717 2HB GLN 92 HB1 GLN 92 140.904 -5.336 -4.992 718 1HG GLN 92 HG2 GLN 92 142.719 -4.694 -3.737 719 2HG GLN 92 HG1 GLN 92 142.656 -6.387 -3.245 720 1HE2 GLN 92 HE22 GLN 92 146.038 -5.201 -4.810 721 2HE2 GLN 92 HE21 GLN 92 144.950 -4.273 -3.895 722 H GLU 93 HN GLU 93 139.007 -6.879 -4.086 723 HA GLU 93 HA GLU 93 137.555 -7.711 -6.569 724 1HB GLU 93 HB2 GLU 93 136.825 -8.067 -3.655 725 2HB GLU 93 HB1 GLU 93 135.630 -8.191 -4.947 726 1HG GLU 93 HG2 GLU 93 136.867 -10.001 -5.992 727 2HG GLU 93 HG1 GLU 93 138.185 -9.817 -4.834 728 H LEU 94 HN LEU 94 135.250 -6.645 -6.536 729 HA LEU 94 HA LEU 94 135.680 -3.741 -6.091 730 1HB LEU 94 HB2 LEU 94 134.782 -4.874 -8.289 731 2HB LEU 94 HB1 LEU 94 133.247 -4.902 -7.420 732 HG LEU 94 HG LEU 94 133.889 -2.374 -6.906 733 1HD1 LEU 94 HD12 LEU 94 135.544 -3.165 -9.290 734 2HD1 LEU 94 HD11 LEU 94 134.898 -1.528 -9.174 735 3HD1 LEU 94 HD13 LEU 94 135.985 -2.139 -7.925 736 1HD2 LEU 94 HD22 LEU 94 131.890 -3.222 -8.147 737 2HD2 LEU 94 HD21 LEU 94 132.527 -1.725 -8.828 738 3HD2 LEU 94 HD23 LEU 94 132.860 -3.265 -9.619 739 H VAL 95 HN VAL 95 134.573 -2.625 -4.539 740 HA VAL 95 HA VAL 95 132.379 -4.068 -3.099 741 HB VAL 95 HB VAL 95 134.369 -2.125 -1.888 742 1HG1 VAL 95 HG13 VAL 95 132.191 -3.889 -0.736 743 2HG1 VAL 95 HG12 VAL 95 133.417 -3.086 0.244 744 3HG1 VAL 95 HG11 VAL 95 132.270 -2.128 -0.691 745 1HG2 VAL 95 HG23 VAL 95 134.287 -5.138 -2.033 746 2HG2 VAL 95 HG22 VAL 95 135.646 -4.059 -2.349 747 3HG2 VAL 95 HG21 VAL 95 135.091 -4.317 -0.695 748 H ILE 96 HN ILE 96 130.474 -2.994 -3.195 749 HA ILE 96 HA ILE 96 130.506 -0.128 -4.012 750 HB ILE 96 HB ILE 96 128.141 -2.021 -3.922 751 1HG1 ILE 96 HG12 ILE 96 129.862 -2.902 -5.457 752 2HG1 ILE 96 HG11 ILE 96 128.479 -2.289 -6.360 753 1HG2 ILE 96 HG21 ILE 96 127.804 0.511 -3.950 754 2HG2 ILE 96 HG23 ILE 96 128.529 0.494 -5.557 755 3HG2 ILE 96 HG22 ILE 96 127.030 -0.384 -5.257 756 1HD1 ILE 96 HD12 ILE 96 131.028 -0.723 -5.851 757 2HD1 ILE 96 HD11 ILE 96 130.663 -1.582 -7.347 758 3HD1 ILE 96 HD13 ILE 96 129.668 -0.213 -6.851 759 H ALA 97 HN ALA 97 130.334 1.286 -2.357 760 HA ALA 97 HA ALA 97 128.921 0.433 0.126 761 1HB ALA 97 HB2 ALA 97 131.360 1.521 -0.061 762 2HB ALA 97 HB1 ALA 97 130.418 3.012 -0.028 763 3HB ALA 97 HB3 ALA 97 130.296 1.863 1.303 764 H GLY 98 HN GLY 98 128.829 2.757 -2.502 765 1HA GLY 98 HA2 GLY 98 126.218 3.380 -2.642 766 2HA GLY 98 HA1 GLY 98 126.670 4.309 -1.212 767 H GLY 99 HN GLY 99 127.161 6.766 -3.879 768 1HA GLY 99 HA2 GLY 99 125.366 5.712 -1.792 769 2HA GLY 99 HA1 GLY 99 125.149 7.216 -2.687 770 H ALA 100 HN ALA 100 122.954 6.691 -3.192 771 HA ALA 100 HA ALA 100 122.111 4.250 -4.418 772 1HB ALA 100 HB2 ALA 100 120.531 5.865 -3.425 773 2HB ALA 100 HB1 ALA 100 120.928 7.030 -4.689 774 3HB ALA 100 HB3 ALA 100 120.110 5.523 -5.103 775 H GLN 101 HN GLN 101 123.572 7.167 -5.719 776 HA GLN 101 HA GLN 101 122.950 6.757 -8.478 777 1HB GLN 101 HB2 GLN 101 125.092 8.244 -6.990 778 2HB GLN 101 HB1 GLN 101 125.229 8.054 -8.738 779 1HG GLN 101 HG2 GLN 101 123.026 9.069 -9.055 780 2HG GLN 101 HG1 GLN 101 122.810 9.193 -7.309 781 1HE2 GLN 101 HE22 GLN 101 124.501 12.264 -9.088 782 2HE2 GLN 101 HE21 GLN 101 123.407 11.174 -9.793 783 H ILE 102 HN ILE 102 125.368 5.338 -6.366 784 HA ILE 102 HA ILE 102 126.831 4.103 -8.600 785 HB ILE 102 HB ILE 102 127.077 3.587 -5.622 786 1HG1 ILE 102 HG12 ILE 102 127.446 5.972 -6.148 787 2HG1 ILE 102 HG11 ILE 102 128.960 5.188 -5.701 788 1HG2 ILE 102 HG22 ILE 102 128.972 3.079 -7.935 789 2HG2 ILE 102 HG21 ILE 102 129.326 2.772 -6.235 790 3HG2 ILE 102 HG23 ILE 102 128.069 1.846 -7.055 791 1HD1 ILE 102 HD13 ILE 102 129.485 4.898 -8.125 792 2HD1 ILE 102 HD12 ILE 102 128.011 5.782 -8.523 793 3HD1 ILE 102 HD11 ILE 102 129.323 6.594 -7.668 794 H PHE 103 HN PHE 103 124.502 3.140 -6.105 795 HA PHE 103 HA PHE 103 124.590 0.321 -6.650 796 1HB PHE 103 HB2 PHE 103 122.382 2.056 -5.501 797 2HB PHE 103 HB1 PHE 103 122.338 0.294 -5.535 798 HD1 PHE 103 HD1 PHE 103 125.059 -0.511 -4.868 799 HD2 PHE 103 HD2 PHE 103 122.716 2.726 -3.288 800 HE1 PHE 103 HE1 PHE 103 126.372 -0.585 -2.766 801 HE2 PHE 103 HE2 PHE 103 124.033 2.654 -1.190 802 HZ PHE 103 HZ PHE 103 125.860 1.000 -0.928 803 H THR 104 HN THR 104 122.650 2.980 -7.981 804 HA THR 104 HA THR 104 120.876 1.384 -9.555 805 HB THR 104 HB THR 104 121.890 4.142 -10.288 806 HG1 THR 104 HG1 THR 104 121.215 4.422 -8.261 807 1HG2 THR 104 HG23 THR 104 119.312 2.631 -10.782 808 2HG2 THR 104 HG22 THR 104 119.536 4.342 -11.148 809 3HG2 THR 104 HG21 THR 104 120.499 3.127 -11.988 810 H ALA 105 HN ALA 105 124.166 2.507 -10.098 811 HA ALA 105 HA ALA 105 124.224 1.827 -12.922 812 1HB ALA 105 HB3 ALA 105 126.411 2.344 -10.890 813 2HB ALA 105 HB2 ALA 105 126.728 2.026 -12.596 814 3HB ALA 105 HB1 ALA 105 125.810 3.455 -12.121 815 H PHE 106 HN PHE 106 125.104 0.176 -9.913 816 HA PHE 106 HA PHE 106 125.723 -2.273 -11.515 817 1HB PHE 106 HB2 PHE 106 126.482 -1.642 -8.645 818 2HB PHE 106 HB1 PHE 106 127.001 -3.044 -9.580 819 HD1 PHE 106 HD1 PHE 106 128.050 -2.399 -11.977 820 HD2 PHE 106 HD2 PHE 106 127.951 0.159 -8.528 821 HE1 PHE 106 HE1 PHE 106 129.946 -1.089 -12.894 822 HE2 PHE 106 HE2 PHE 106 129.846 1.469 -9.446 823 HZ PHE 106 HZ PHE 106 130.843 0.844 -11.628 824 H LYS 107 HN LYS 107 123.020 -1.461 -10.968 825 HA LYS 107 HA LYS 107 121.898 -2.747 -8.675 826 1HB LYS 107 HB2 LYS 107 120.835 -1.100 -10.435 827 2HB LYS 107 HB1 LYS 107 120.399 -2.590 -11.272 828 1HG LYS 107 HG2 LYS 107 119.531 -3.345 -8.916 829 2HG LYS 107 HG1 LYS 107 119.519 -1.616 -8.569 830 1HD LYS 107 HD2 LYS 107 117.991 -1.170 -10.351 831 2HD LYS 107 HD1 LYS 107 118.200 -2.786 -11.027 832 1HE LYS 107 HE2 LYS 107 117.349 -3.547 -8.640 833 2HE LYS 107 HE1 LYS 107 116.652 -1.928 -8.607 834 1HZ LYS 107 HZ2 LYS 107 116.248 -3.899 -10.791 835 2HZ LYS 107 HZ1 LYS 107 115.139 -3.603 -9.538 836 3HZ LYS 107 HZ3 LYS 107 115.506 -2.378 -10.652 837 H ASP 108 HN ASP 108 122.068 -3.888 -12.070 838 HA ASP 108 HA ASP 108 121.577 -6.656 -11.082 839 1HB ASP 108 HB2 ASP 108 121.430 -5.416 -13.844 840 2HB ASP 108 HB1 ASP 108 121.257 -7.146 -13.548 841 H ASP 109 HN ASP 109 124.057 -5.862 -10.383 842 HA ASP 109 HA ASP 109 125.774 -7.516 -12.132 843 1HB ASP 109 HB2 ASP 109 126.359 -4.621 -11.449 844 2HB ASP 109 HB1 ASP 109 127.563 -5.739 -12.090 845 H VAL 110 HN VAL 110 124.710 -7.982 -9.518 846 HA VAL 110 HA VAL 110 127.254 -8.298 -8.042 847 HB VAL 110 HB VAL 110 126.314 -6.165 -7.219 848 1HG1 VAL 110 HG11 VAL 110 123.927 -6.760 -7.756 849 2HG1 VAL 110 HG13 VAL 110 123.924 -7.804 -6.334 850 3HG1 VAL 110 HG12 VAL 110 124.148 -6.065 -6.150 851 1HG2 VAL 110 HG23 VAL 110 126.244 -8.552 -5.365 852 2HG2 VAL 110 HG22 VAL 110 127.524 -7.355 -5.556 853 3HG2 VAL 110 HG21 VAL 110 126.011 -6.910 -4.771 854 H ASP 111 HN ASP 111 127.223 -10.102 -6.642 855 HA ASP 111 HA ASP 111 124.813 -11.849 -6.925 856 1HB ASP 111 HB2 ASP 111 127.757 -12.435 -6.649 857 2HB ASP 111 HB1 ASP 111 126.556 -13.655 -6.224 858 H THR 112 HN THR 112 127.377 -10.913 -4.619 859 HA THR 112 HA THR 112 125.760 -11.968 -2.376 860 HB THR 112 HB THR 112 128.414 -10.524 -2.204 861 HG1 THR 112 HG1 THR 112 129.275 -12.682 -2.252 862 1HG2 THR 112 HG23 THR 112 127.060 -10.926 -0.125 863 2HG2 THR 112 HG22 THR 112 127.169 -12.656 -0.450 864 3HG2 THR 112 HG21 THR 112 128.631 -11.728 -0.117 865 H LEU 113 HN LEU 113 124.820 -10.637 -0.803 866 HA LEU 113 HA LEU 113 125.036 -7.689 -1.231 867 1HB LEU 113 HB2 LEU 113 122.462 -9.193 -0.673 868 2HB LEU 113 HB1 LEU 113 122.627 -7.455 -0.910 869 HG LEU 113 HG LEU 113 123.539 -9.413 -3.014 870 1HD1 LEU 113 HD11 LEU 113 120.774 -8.290 -2.525 871 2HD1 LEU 113 HD13 LEU 113 121.293 -8.876 -4.106 872 3HD1 LEU 113 HD12 LEU 113 121.234 -9.980 -2.732 873 1HD2 LEU 113 HD22 LEU 113 123.062 -6.474 -2.765 874 2HD2 LEU 113 HD21 LEU 113 124.336 -7.334 -3.632 875 3HD2 LEU 113 HD23 LEU 113 122.717 -7.225 -4.324 876 H LEU 114 HN LEU 114 126.064 -7.071 0.623 877 HA LEU 114 HA LEU 114 125.335 -8.354 3.197 878 1HB LEU 114 HB2 LEU 114 127.583 -6.582 2.269 879 2HB LEU 114 HB1 LEU 114 127.226 -6.721 3.991 880 HG LEU 114 HG LEU 114 127.424 -9.238 2.390 881 1HD1 LEU 114 HD11 LEU 114 129.401 -7.681 1.834 882 2HD1 LEU 114 HD13 LEU 114 129.880 -7.890 3.518 883 3HD1 LEU 114 HD12 LEU 114 129.797 -9.287 2.445 884 1HD2 LEU 114 HD23 LEU 114 127.987 -8.323 5.213 885 2HD2 LEU 114 HD22 LEU 114 126.835 -9.543 4.668 886 3HD2 LEU 114 HD21 LEU 114 128.566 -9.880 4.620 887 H VAL 115 HN VAL 115 123.937 -7.369 4.581 888 HA VAL 115 HA VAL 115 123.597 -4.418 4.417 889 HB VAL 115 HB VAL 115 121.815 -5.424 3.034 890 1HG1 VAL 115 HG13 VAL 115 121.795 -7.618 4.271 891 2HG1 VAL 115 HG12 VAL 115 120.917 -6.813 5.572 892 3HG1 VAL 115 HG11 VAL 115 120.192 -6.949 3.970 893 1HG2 VAL 115 HG22 VAL 115 121.378 -3.386 4.450 894 2HG2 VAL 115 HG21 VAL 115 119.931 -4.329 4.096 895 3HG2 VAL 115 HG23 VAL 115 120.698 -4.449 5.680 896 H THR 116 HN THR 116 123.009 -3.463 6.405 897 HA THR 116 HA THR 116 123.074 -5.317 8.754 898 HB THR 116 HB THR 116 123.891 -2.398 8.701 899 HG1 THR 116 HG1 THR 116 125.978 -3.164 8.589 900 1HG2 THR 116 HG22 THR 116 123.147 -3.588 10.869 901 2HG2 THR 116 HG21 THR 116 124.635 -4.520 10.711 902 3HG2 THR 116 HG23 THR 116 124.706 -2.766 10.887 903 H ARG 117 HN ARG 117 120.921 -5.566 9.259 904 HA ARG 117 HA ARG 117 119.023 -3.352 9.046 905 1HB ARG 117 HB2 ARG 117 118.789 -6.144 10.202 906 2HB ARG 117 HB1 ARG 117 117.446 -5.004 10.112 907 1HG ARG 117 HG2 ARG 117 117.992 -4.827 7.602 908 2HG ARG 117 HG1 ARG 117 118.974 -6.272 7.838 909 1HD ARG 117 HD2 ARG 117 116.222 -6.366 8.956 910 2HD ARG 117 HD1 ARG 117 116.349 -6.367 7.202 911 HE ARG 117 HE ARG 117 117.399 -8.496 7.291 912 1HH1 ARG 117 HH11 ARG 117 116.985 -7.168 10.510 913 2HH1 ARG 117 HH12 ARG 117 117.377 -8.663 11.277 914 1HH2 ARG 117 HH21 ARG 117 117.899 -10.400 8.338 915 2HH2 ARG 117 HH22 ARG 117 117.888 -10.469 10.068 916 H LEU 118 HN LEU 118 118.388 -2.001 10.682 917 HA LEU 118 HA LEU 118 119.704 -2.375 13.332 918 1HB LEU 118 HB2 LEU 118 118.867 -0.020 11.719 919 2HB LEU 118 HB1 LEU 118 118.668 0.121 13.466 920 HG LEU 118 HG LEU 118 121.125 -0.893 13.482 921 1HD1 LEU 118 HD12 LEU 118 121.054 -1.112 10.951 922 2HD1 LEU 118 HD11 LEU 118 121.096 0.650 10.876 923 3HD1 LEU 118 HD13 LEU 118 122.446 -0.236 11.587 924 1HD2 LEU 118 HD23 LEU 118 120.126 1.473 14.126 925 2HD2 LEU 118 HD22 LEU 118 121.869 1.262 13.961 926 3HD2 LEU 118 HD21 LEU 118 120.940 1.984 12.647 927 H ALA 119 HN ALA 119 118.293 -1.506 15.210 928 HA ALA 119 HA ALA 119 115.562 -2.666 14.898 929 1HB ALA 119 HB3 ALA 119 117.171 -3.577 16.657 930 2HB ALA 119 HB2 ALA 119 116.994 -2.033 17.489 931 3HB ALA 119 HB1 ALA 119 115.590 -3.075 17.258 932 H GLY 120 HN GLY 120 117.317 0.171 16.116 933 1HA GLY 120 HA2 GLY 120 114.965 1.577 17.029 934 2HA GLY 120 HA1 GLY 120 116.541 2.308 16.720 935 H SER 121 HN SER 121 113.660 3.032 15.925 936 HA SER 121 HA SER 121 113.690 2.870 13.000 937 1HB SER 121 HB2 SER 121 111.603 4.091 13.110 938 2HB SER 121 HB1 SER 121 111.582 2.872 14.379 939 HG SER 121 HG SER 121 110.939 5.033 15.035 940 H PHE 122 HN PHE 122 114.165 4.570 11.586 941 HA PHE 122 HA PHE 122 115.035 7.161 12.754 942 1HB PHE 122 HB2 PHE 122 116.714 5.485 10.862 943 2HB PHE 122 HB1 PHE 122 117.104 7.120 11.395 944 HD1 PHE 122 HD2 PHE 122 117.461 7.560 13.867 945 HD2 PHE 122 HD1 PHE 122 117.201 3.598 12.227 946 HE1 PHE 122 HE2 PHE 122 118.523 6.643 15.912 947 HE2 PHE 122 HE1 PHE 122 118.261 2.681 14.272 948 HZ PHE 122 HZ PHE 122 118.923 4.204 16.115 949 H GLU 123 HN GLU 123 114.563 8.893 11.419 950 HA GLU 123 HA GLU 123 113.312 8.224 8.786 951 1HB GLU 123 HB2 GLU 123 112.100 10.403 9.066 952 2HB GLU 123 HB1 GLU 123 111.709 9.222 10.316 953 1HG GLU 123 HG2 GLU 123 113.161 10.295 11.903 954 2HG GLU 123 HG1 GLU 123 113.849 11.337 10.656 955 H GLY 124 HN GLY 124 114.007 9.346 6.962 956 1HA GLY 124 HA2 GLY 124 115.722 11.689 7.135 957 2HA GLY 124 HA1 GLY 124 116.616 10.234 6.695 958 H ASP 125 HN ASP 125 116.917 11.633 4.669 959 HA ASP 125 HA ASP 125 114.565 11.399 2.842 960 1HB ASP 125 HB2 ASP 125 116.994 13.190 2.860 961 2HB ASP 125 HB1 ASP 125 116.045 12.958 1.391 962 H THR 126 HN THR 126 117.981 10.577 3.232 963 HA THR 126 HA THR 126 118.253 9.371 0.605 964 HB THR 126 HB THR 126 119.970 8.586 2.941 965 HG1 THR 126 HG1 THR 126 121.013 10.527 2.836 966 1HG2 THR 126 HG23 THR 126 120.167 7.874 0.417 967 2HG2 THR 126 HG22 THR 126 120.880 9.476 0.223 968 3HG2 THR 126 HG21 THR 126 121.620 8.308 1.318 969 H LYS 127 HN LYS 127 117.280 7.501 0.030 970 HA LYS 127 HA LYS 127 116.849 5.426 2.144 971 1HB LYS 127 HB2 LYS 127 115.072 6.321 -0.125 972 2HB LYS 127 HB1 LYS 127 114.894 4.723 0.600 973 1HG LYS 127 HG2 LYS 127 114.407 5.644 2.749 974 2HG LYS 127 HG1 LYS 127 114.919 7.257 2.250 975 1HD LYS 127 HD2 LYS 127 113.016 7.573 0.891 976 2HD LYS 127 HD1 LYS 127 112.649 5.848 0.851 977 1HE LYS 127 HE2 LYS 127 112.407 6.124 3.453 978 2HE LYS 127 HE1 LYS 127 112.187 7.829 3.062 979 1HZ LYS 127 HZ1 LYS 127 110.484 7.030 1.396 980 2HZ LYS 127 HZ3 LYS 127 110.559 5.524 2.173 981 3HZ LYS 127 HZ2 LYS 127 110.054 6.899 3.034 982 H MET 128 HN MET 128 116.650 3.178 1.133 983 HA MET 128 HA MET 128 118.866 2.837 -0.797 984 1HB MET 128 HB2 MET 128 118.656 1.453 1.322 985 2HB MET 128 HB1 MET 128 117.249 0.683 0.589 986 1HG MET 128 HG2 MET 128 119.135 -0.722 0.101 987 2HG MET 128 HG1 MET 128 118.726 0.116 -1.395 988 1HE MET 128 HE3 MET 128 120.907 -0.815 -2.085 989 2HE MET 128 HE2 MET 128 122.489 -0.114 -1.756 990 3HE MET 128 HE1 MET 128 121.774 -1.235 -0.601 991 H ILE 129 HN ILE 129 118.600 1.827 -2.820 992 HA ILE 129 HA ILE 129 116.080 2.238 -4.144 993 HB ILE 129 HB ILE 129 117.166 0.999 -6.033 994 1HG1 ILE 129 HG12 ILE 129 119.610 0.843 -4.267 995 2HG1 ILE 129 HG11 ILE 129 118.460 -0.493 -4.350 996 1HG2 ILE 129 HG21 ILE 129 118.564 3.235 -4.582 997 2HG2 ILE 129 HG23 ILE 129 119.237 2.594 -6.080 998 3HG2 ILE 129 HG22 ILE 129 117.622 3.301 -6.071 999 1HD1 ILE 129 HD12 ILE 129 118.722 -0.303 -6.916 1000 2HD1 ILE 129 HD11 ILE 129 120.160 0.656 -6.562 1001 3HD1 ILE 129 HD13 ILE 129 120.059 -1.016 -6.012 1002 HA PRO 130 HA PRO 130 114.059 -1.676 -3.497 1003 1HB PRO 130 HB2 PRO 130 112.782 -1.917 -5.974 1004 2HB PRO 130 HB1 PRO 130 112.183 -0.998 -4.587 1005 1HG PRO 130 HG2 PRO 130 113.121 0.002 -7.101 1006 2HG PRO 130 HG1 PRO 130 112.489 0.913 -5.724 1007 1HD PRO 130 HD2 PRO 130 115.263 0.552 -6.573 1008 2HD PRO 130 HD1 PRO 130 114.589 1.713 -5.418 1009 H LEU 131 HN LEU 131 115.290 -3.514 -3.462 1010 HA LEU 131 HA LEU 131 116.462 -4.478 -6.039 1011 1HB LEU 131 HB2 LEU 131 117.243 -5.118 -3.176 1012 2HB LEU 131 HB1 LEU 131 118.016 -5.789 -4.614 1013 HG LEU 131 HG LEU 131 117.780 -2.807 -4.293 1014 1HD1 LEU 131 HD13 LEU 131 118.854 -4.045 -2.241 1015 2HD1 LEU 131 HD12 LEU 131 120.210 -4.300 -3.340 1016 3HD1 LEU 131 HD11 LEU 131 119.689 -2.662 -2.948 1017 1HD2 LEU 131 HD21 LEU 131 119.664 -4.718 -5.706 1018 2HD2 LEU 131 HD23 LEU 131 118.524 -3.597 -6.449 1019 3HD2 LEU 131 HD22 LEU 131 119.944 -2.979 -5.605 1020 H ASN 132 HN ASN 132 116.350 -6.810 -6.431 1021 HA ASN 132 HA ASN 132 113.766 -7.925 -5.595 1022 1HB ASN 132 HB2 ASN 132 114.839 -8.080 -7.949 1023 2HB ASN 132 HB1 ASN 132 115.839 -9.357 -7.254 1024 1HD2 ASN 132 HD22 ASN 132 111.929 -10.092 -8.092 1025 2HD2 ASN 132 HD21 ASN 132 112.602 -8.554 -8.344 1026 H TRP 133 HN TRP 133 113.553 -9.210 -3.840 1027 HA TRP 133 HA TRP 133 116.001 -10.414 -2.648 1028 1HB TRP 133 HB2 TRP 133 113.214 -10.010 -1.518 1029 2HB TRP 133 HB1 TRP 133 114.557 -10.745 -0.642 1030 HD1 TRP 133 HD1 TRP 133 113.167 -7.426 -1.750 1031 HE1 TRP 133 HE1 TRP 133 114.631 -5.522 -0.813 1032 HE3 TRP 133 HE3 TRP 133 117.103 -10.140 0.042 1033 HZ2 TRP 133 HZ2 TRP 133 117.141 -5.195 0.521 1034 HZ3 TRP 133 HZ3 TRP 133 119.015 -9.008 1.140 1035 HH2 TRP 133 HH2 TRP 133 119.040 -6.541 1.382 1036 H ASP 134 HN ASP 134 112.975 -11.247 -4.196 1037 HA ASP 134 HA ASP 134 112.701 -13.942 -3.338 1038 1HB ASP 134 HB2 ASP 134 111.959 -12.562 -5.926 1039 2HB ASP 134 HB1 ASP 134 111.538 -14.242 -5.588 1040 H ASP 135 HN ASP 135 114.929 -12.476 -5.604 1041 HA ASP 135 HA ASP 135 115.798 -15.143 -6.584 1042 1HB ASP 135 HB2 ASP 135 116.561 -12.323 -7.397 1043 2HB ASP 135 HB1 ASP 135 117.278 -13.777 -8.095 1044 H PHE 136 HN PHE 136 116.274 -14.496 -3.821 1045 HA PHE 136 HA PHE 136 119.201 -14.837 -3.781 1046 1HB PHE 136 HB2 PHE 136 117.782 -12.504 -2.478 1047 2HB PHE 136 HB1 PHE 136 119.367 -13.062 -1.943 1048 HD1 PHE 136 HD1 PHE 136 117.477 -11.496 -4.691 1049 HD2 PHE 136 HD2 PHE 136 121.342 -12.809 -3.355 1050 HE1 PHE 136 HE1 PHE 136 118.546 -10.223 -6.532 1051 HE2 PHE 136 HE2 PHE 136 122.411 -11.538 -5.196 1052 HZ PHE 136 HZ PHE 136 121.013 -10.245 -6.784 1053 H THR 137 HN THR 137 119.904 -15.301 -1.436 1054 HA THR 137 HA THR 137 117.735 -16.306 0.301 1055 HB THR 137 HB THR 137 119.957 -18.204 -0.425 1056 HG1 THR 137 HG1 THR 137 118.911 -18.830 -2.163 1057 1HG2 THR 137 HG21 THR 137 117.159 -18.466 0.698 1058 2HG2 THR 137 HG23 THR 137 118.156 -19.844 0.233 1059 3HG2 THR 137 HG22 THR 137 118.680 -18.778 1.535 1060 H LYS 138 HN LYS 138 118.429 -16.579 2.474 1061 HA LYS 138 HA LYS 138 120.910 -15.122 3.130 1062 1HB LYS 138 HB2 LYS 138 118.505 -15.030 4.296 1063 2HB LYS 138 HB1 LYS 138 119.190 -16.355 5.239 1064 1HG LYS 138 HG2 LYS 138 120.822 -15.020 6.192 1065 2HG LYS 138 HG1 LYS 138 120.868 -13.915 4.819 1066 1HD LYS 138 HD2 LYS 138 119.808 -12.690 6.563 1067 2HD LYS 138 HD1 LYS 138 118.498 -13.212 5.504 1068 1HE LYS 138 HE2 LYS 138 117.666 -13.806 7.603 1069 2HE LYS 138 HE1 LYS 138 118.427 -15.310 7.084 1070 1HZ LYS 138 HZ1 LYS 138 119.901 -13.277 8.645 1071 2HZ LYS 138 HZ3 LYS 138 118.967 -14.473 9.402 1072 3HZ LYS 138 HZ2 LYS 138 120.281 -14.917 8.419 1073 H VAL 139 HN VAL 139 122.712 -16.068 4.068 1074 HA VAL 139 HA VAL 139 122.590 -19.014 4.567 1075 HB VAL 139 HB VAL 139 124.920 -19.145 3.645 1076 1HG1 VAL 139 HG13 VAL 139 122.693 -18.149 1.848 1077 2HG1 VAL 139 HG12 VAL 139 124.197 -18.839 1.237 1078 3HG1 VAL 139 HG11 VAL 139 123.107 -19.824 2.212 1079 1HG2 VAL 139 HG21 VAL 139 124.289 -16.279 2.873 1080 2HG2 VAL 139 HG23 VAL 139 125.616 -16.837 3.892 1081 3HG2 VAL 139 HG22 VAL 139 125.608 -17.215 2.170 1082 H SER 140 HN SER 140 124.348 -15.977 5.201 1083 HA SER 140 HA SER 140 125.170 -17.139 7.834 1084 1HB SER 140 HB2 SER 140 126.607 -15.068 6.150 1085 2HB SER 140 HB1 SER 140 127.123 -15.617 7.741 1086 HG SER 140 HG SER 140 127.203 -16.898 5.274 1087 H SER 141 HN SER 141 125.275 -15.557 9.607 1088 HA SER 141 HA SER 141 124.193 -12.893 9.317 1089 1HB SER 141 HB2 SER 141 122.173 -14.542 9.082 1090 2HB SER 141 HB1 SER 141 122.359 -14.749 10.821 1091 HG SER 141 HG SER 141 120.978 -13.052 10.532 1092 H ARG 142 HN ARG 142 124.178 -11.767 11.374 1093 HA ARG 142 HA ARG 142 125.180 -13.269 13.726 1094 1HB ARG 142 HB2 ARG 142 127.157 -12.425 12.371 1095 2HB ARG 142 HB1 ARG 142 126.599 -10.790 12.722 1096 1HG ARG 142 HG2 ARG 142 126.682 -11.367 15.173 1097 2HG ARG 142 HG1 ARG 142 127.437 -12.898 14.731 1098 1HD ARG 142 HD2 ARG 142 129.403 -11.884 14.018 1099 2HD ARG 142 HD1 ARG 142 128.605 -10.351 13.667 1100 HE ARG 142 HE ARG 142 128.508 -10.929 16.492 1101 1HH1 ARG 142 HH11 ARG 142 130.624 -9.805 13.943 1102 2HH1 ARG 142 HH12 ARG 142 131.613 -8.893 15.030 1103 1HH2 ARG 142 HH21 ARG 142 129.813 -9.736 17.860 1104 2HH2 ARG 142 HH22 ARG 142 131.160 -8.853 17.224 1105 H THR 143 HN THR 143 123.731 -12.693 15.265 1106 HA THR 143 HA THR 143 122.394 -10.072 15.163 1107 HB THR 143 HB THR 143 122.099 -12.071 17.396 1108 HG1 THR 143 HG1 THR 143 120.907 -13.337 16.147 1109 1HG2 THR 143 HG23 THR 143 120.975 -9.826 17.456 1110 2HG2 THR 143 HG22 THR 143 120.104 -10.277 15.990 1111 3HG2 THR 143 HG21 THR 143 119.848 -11.182 17.482 1112 H VAL 144 HN VAL 144 123.166 -8.322 16.222 1113 HA VAL 144 HA VAL 144 124.988 -8.772 18.556 1114 HB VAL 144 HB VAL 144 125.134 -6.492 16.560 1115 1HG1 VAL 144 HG13 VAL 144 125.949 -6.118 18.937 1116 2HG1 VAL 144 HG12 VAL 144 127.141 -7.385 18.646 1117 3HG1 VAL 144 HG11 VAL 144 127.175 -5.905 17.687 1118 1HG2 VAL 144 HG22 VAL 144 126.535 -9.151 16.731 1119 2HG2 VAL 144 HG21 VAL 144 125.881 -8.332 15.313 1120 3HG2 VAL 144 HG23 VAL 144 127.376 -7.758 16.051 1121 H GLU 145 HN GLU 145 124.172 -7.924 20.401 1122 HA GLU 145 HA GLU 145 122.044 -5.841 20.179 1123 1HB GLU 145 HB2 GLU 145 122.722 -7.763 22.426 1124 2HB GLU 145 HB1 GLU 145 121.458 -6.536 22.508 1125 1HG GLU 145 HG2 GLU 145 120.289 -7.560 20.622 1126 2HG GLU 145 HG1 GLU 145 121.584 -8.743 20.433 1127 H ASP 146 HN ASP 146 122.682 -3.807 20.655 1128 HA ASP 146 HA ASP 146 125.237 -3.332 22.030 1129 1HB ASP 146 HB2 ASP 146 123.980 -1.987 20.048 1130 2HB ASP 146 HB1 ASP 146 123.402 -1.067 21.438 1131 H THR 147 HN THR 147 124.863 -1.148 23.569 1132 HA THR 147 HA THR 147 123.731 -2.181 25.983 1133 HB THR 147 HB THR 147 123.976 0.207 26.792 1134 HG1 THR 147 HG1 THR 147 124.794 1.684 25.371 1135 1HG2 THR 147 HG21 THR 147 125.820 -1.423 26.948 1136 2HG2 THR 147 HG23 THR 147 126.339 -0.990 25.318 1137 3HG2 THR 147 HG22 THR 147 126.433 0.197 26.619 1138 H ASN 148 HN ASN 148 122.474 0.076 23.542 1139 HA ASN 148 HA ASN 148 119.882 0.193 24.998 1140 1HB ASN 148 HB2 ASN 148 121.025 1.771 22.682 1141 2HB ASN 148 HB1 ASN 148 119.342 1.911 23.190 1142 1HD2 ASN 148 HD22 ASN 148 121.824 4.260 25.053 1143 2HD2 ASN 148 HD21 ASN 148 121.879 3.760 23.431 1144 HA PRO 149 HA PRO 149 117.855 -2.477 22.073 1145 1HB PRO 149 HB2 PRO 149 115.339 -1.244 22.044 1146 2HB PRO 149 HB1 PRO 149 115.895 -2.441 23.221 1147 1HG PRO 149 HG2 PRO 149 115.343 0.334 23.650 1148 2HG PRO 149 HG1 PRO 149 115.885 -0.872 24.827 1149 1HD PRO 149 HD2 PRO 149 117.430 1.222 23.492 1150 2HD PRO 149 HD1 PRO 149 117.859 0.241 24.904 1151 H ALA 150 HN ALA 150 117.621 0.995 21.492 1152 HA ALA 150 HA ALA 150 116.640 0.760 18.771 1153 1HB ALA 150 HB1 ALA 150 117.948 3.008 20.320 1154 2HB ALA 150 HB3 ALA 150 117.448 3.180 18.637 1155 3HB ALA 150 HB2 ALA 150 116.246 2.843 19.883 1156 H LEU 151 HN LEU 151 119.804 0.829 20.297 1157 HA LEU 151 HA LEU 151 121.255 1.171 17.786 1158 1HB LEU 151 HB2 LEU 151 122.119 0.423 20.587 1159 2HB LEU 151 HB1 LEU 151 123.246 0.562 19.237 1160 HG LEU 151 HG LEU 151 121.354 2.787 20.028 1161 1HD1 LEU 151 HD11 LEU 151 124.255 2.375 20.817 1162 2HD1 LEU 151 HD13 LEU 151 123.306 3.828 21.136 1163 3HD1 LEU 151 HD12 LEU 151 122.871 2.303 21.908 1164 1HD2 LEU 151 HD21 LEU 151 123.840 2.621 18.296 1165 2HD2 LEU 151 HD23 LEU 151 122.192 2.939 17.752 1166 3HD2 LEU 151 HD22 LEU 151 123.042 4.132 18.735 1167 H THR 152 HN THR 152 119.649 -1.474 19.196 1168 HA THR 152 HA THR 152 121.403 -3.642 18.666 1169 HB THR 152 HB THR 152 118.397 -3.704 18.304 1170 HG1 THR 152 HG1 THR 152 119.954 -3.870 20.669 1171 1HG2 THR 152 HG22 THR 152 120.573 -5.700 18.801 1172 2HG2 THR 152 HG21 THR 152 118.975 -6.004 19.483 1173 3HG2 THR 152 HG23 THR 152 119.168 -5.816 17.739 1174 H HIS 153 HN HIS 153 121.990 -4.667 16.794 1175 HA HIS 153 HA HIS 153 120.480 -4.112 14.297 1176 1HB HIS 153 HB2 HIS 153 122.646 -3.679 13.097 1177 2HB HIS 153 HB1 HIS 153 122.230 -2.426 14.266 1178 HD1 HIS 153 HD1 HIS 153 123.418 -2.733 16.709 1179 HD2 HIS 153 HD2 HIS 153 125.133 -4.826 13.539 1180 HE1 HIS 153 HE1 HIS 153 125.744 -3.395 17.462 1181 H THR 154 HN THR 154 121.408 -5.563 12.481 1182 HA THR 154 HA THR 154 122.720 -8.022 13.464 1183 HB THR 154 HB THR 154 120.077 -8.236 12.012 1184 HG1 THR 154 HG1 THR 154 119.066 -8.170 13.871 1185 1HG2 THR 154 HG23 THR 154 122.081 -10.074 13.188 1186 2HG2 THR 154 HG22 THR 154 120.397 -10.477 13.518 1187 3HG2 THR 154 HG21 THR 154 120.959 -10.334 11.853 1188 H TYR 155 HN TYR 155 124.191 -8.574 11.940 1189 HA TYR 155 HA TYR 155 124.127 -7.338 9.293 1190 1HB TYR 155 HB2 TYR 155 125.979 -9.469 10.408 1191 2HB TYR 155 HB1 TYR 155 126.243 -8.535 8.935 1192 HD1 TYR 155 HD2 TYR 155 126.109 -5.904 9.236 1193 HD2 TYR 155 HD1 TYR 155 126.904 -8.692 12.406 1194 HE1 TYR 155 HE2 TYR 155 127.149 -4.092 10.570 1195 HE2 TYR 155 HE1 TYR 155 127.943 -6.879 13.740 1196 HH TYR 155 HH TYR 155 129.137 -4.519 13.017 1197 H GLU 156 HN GLU 156 123.957 -8.497 7.291 1198 HA GLU 156 HA GLU 156 122.952 -11.293 7.462 1199 1HB GLU 156 HB2 GLU 156 121.516 -8.908 6.318 1200 2HB GLU 156 HB1 GLU 156 121.246 -10.511 5.632 1201 1HG GLU 156 HG2 GLU 156 119.605 -10.467 7.277 1202 2HG GLU 156 HG1 GLU 156 120.940 -11.201 8.166 1203 H VAL 157 HN VAL 157 123.807 -12.551 5.865 1204 HA VAL 157 HA VAL 157 125.285 -11.159 3.670 1205 HB VAL 157 HB VAL 157 125.719 -13.966 4.732 1206 1HG1 VAL 157 HG13 VAL 157 127.192 -12.186 2.778 1207 2HG1 VAL 157 HG12 VAL 157 127.937 -13.602 3.520 1208 3HG1 VAL 157 HG11 VAL 157 126.521 -13.792 2.486 1209 1HG2 VAL 157 HG23 VAL 157 126.210 -12.120 6.389 1210 2HG2 VAL 157 HG22 VAL 157 127.620 -13.079 5.938 1211 3HG2 VAL 157 HG21 VAL 157 127.382 -11.480 5.235 1212 H TRP 158 HN TRP 158 123.266 -11.051 2.428 1213 HA TRP 158 HA TRP 158 121.857 -13.477 1.681 1214 1HB TRP 158 HB2 TRP 158 121.865 -10.685 0.501 1215 2HB TRP 158 HB1 TRP 158 120.797 -11.977 -0.044 1216 HD1 TRP 158 HD1 TRP 158 121.638 -9.997 3.157 1217 HE1 TRP 158 HE1 TRP 158 119.535 -9.937 4.646 1218 HE3 TRP 158 HE3 TRP 158 118.534 -12.985 0.417 1219 HZ2 TRP 158 HZ2 TRP 158 116.884 -11.015 4.670 1220 HZ3 TRP 158 HZ3 TRP 158 116.228 -13.452 1.195 1221 HH2 TRP 158 HH2 TRP 158 115.399 -12.471 3.316 1222 H GLN 159 HN GLN 159 122.044 -14.649 -0.257 1223 HA GLN 159 HA GLN 159 124.295 -13.897 -2.069 1224 1HB GLN 159 HB2 GLN 159 123.805 -16.525 -0.674 1225 2HB GLN 159 HB1 GLN 159 124.682 -16.468 -2.204 1226 1HG GLN 159 HG2 GLN 159 126.126 -14.638 -1.090 1227 2HG GLN 159 HG1 GLN 159 125.427 -15.198 0.430 1228 1HE2 GLN 159 HE22 GLN 159 128.541 -17.190 -0.928 1229 2HE2 GLN 159 HE21 GLN 159 128.179 -15.563 -1.254 1230 H LYS 160 HN LYS 160 124.012 -14.609 -4.251 1231 HA LYS 160 HA LYS 160 121.219 -14.863 -5.062 1232 1HB LYS 160 HB2 LYS 160 123.035 -13.587 -6.327 1233 2HB LYS 160 HB1 LYS 160 123.657 -15.159 -6.829 1234 1HG LYS 160 HG2 LYS 160 121.658 -15.694 -8.003 1235 2HG LYS 160 HG1 LYS 160 120.766 -14.380 -7.236 1236 1HD LYS 160 HD2 LYS 160 121.242 -13.437 -9.310 1237 2HD LYS 160 HD1 LYS 160 122.617 -12.872 -8.361 1238 1HE LYS 160 HE2 LYS 160 124.094 -14.360 -9.359 1239 2HE LYS 160 HE1 LYS 160 122.823 -15.515 -9.757 1240 1HZ LYS 160 HZ2 LYS 160 123.214 -12.864 -11.040 1241 2HZ LYS 160 HZ1 LYS 160 123.625 -14.364 -11.725 1242 3HZ LYS 160 HZ3 LYS 160 121.999 -13.985 -11.429 1243 H LYS 161 HN LYS 161 120.193 -16.709 -5.788 1244 HA LYS 161 HA LYS 161 121.687 -19.264 -5.442 1245 1HB LYS 161 HB2 LYS 161 119.383 -20.284 -5.424 1246 2HB LYS 161 HB1 LYS 161 119.668 -19.142 -4.110 1247 1HG LYS 161 HG2 LYS 161 118.371 -17.454 -5.136 1248 2HG LYS 161 HG1 LYS 161 118.432 -18.245 -6.712 1249 1HD LYS 161 HD2 LYS 161 116.260 -18.732 -5.922 1250 2HD LYS 161 HD1 LYS 161 117.178 -20.194 -5.560 1251 1HE LYS 161 HE2 LYS 161 117.406 -19.599 -3.259 1252 2HE LYS 161 HE1 LYS 161 116.849 -17.952 -3.557 1253 1HZ LYS 161 HZ2 LYS 161 115.189 -20.376 -3.977 1254 2HZ LYS 161 HZ1 LYS 161 115.141 -19.418 -2.574 1255 3HZ LYS 161 HZ3 LYS 161 114.677 -18.758 -4.066 1256 H ALA 162 HN ALA 162 119.962 -17.322 -7.799 1257 HA ALA 162 HA ALA 162 120.822 -19.243 -9.906 1258 1HB ALA 162 HB1 ALA 162 118.046 -18.072 -9.573 1259 2HB ALA 162 HB3 ALA 162 118.609 -18.834 -11.060 1260 3HB ALA 162 HB2 ALA 162 118.491 -19.778 -9.575 1261 1HN2 MTX 170 1HN2 MTX 170 128.784 -1.676 8.669 1262 2HN2 MTX 170 2HN2 MTX 170 128.728 -2.432 7.151 1263 1HN4 MTX 170 1HN4 MTX 170 128.825 0.094 3.159 1264 2HN4 MTX 170 2HN4 MTX 170 128.917 1.788 3.228 1265 H7 MTX 170 H7 MTX 170 129.150 5.243 7.995 1266 1H9 MTX 170 H91 MTX 170 128.152 6.094 5.029 1267 2H9 MTX 170 H92 MTX 170 129.770 5.711 4.424 1268 1HM MTX 170 HM1 MTX 170 129.663 8.905 6.021 1269 2HM MTX 170 HM2 MTX 170 128.127 8.073 5.633 1270 3HM MTX 170 HM3 MTX 170 128.676 8.192 7.332 1271 H12 MTX 170 H13 MTX 170 132.661 7.606 9.634 1272 H13 MTX 170 H12 MTX 170 130.470 7.939 8.485 1273 H15 MTX 170 H16 MTX 170 131.751 5.293 5.296 1274 H16 MTX 170 H15 MTX 170 133.939 4.969 6.451 1275 HN MTX 170 HN MTX 170 134.874 4.173 8.042 1276 HA MTX 170 HA MTX 170 137.086 5.551 9.409 1277 1HB MTX 170 HB1 MTX 170 136.320 2.789 10.404 1278 2HB MTX 170 HB2 MTX 170 135.445 4.180 11.023 1279 1HG MTX 170 HG1 MTX 170 137.418 5.136 11.990 1280 2HG MTX 170 HG2 MTX 170 138.493 4.205 10.951 1281 HN1 MTX 170 H1N MTX 170 128.910 0.632 8.838 No H/Q in entry = 1281 Start of MODEL 18 1 1H THR 1 HT3 THR 1 131.956 -8.545 -7.192 2 2H THR 1 HT2 THR 1 130.554 -8.782 -8.122 3 3H THR 1 HT1 THR 1 131.777 -7.741 -8.675 4 HA THR 1 HA THR 1 131.308 -6.121 -7.073 5 HB THR 1 HB THR 1 128.581 -7.233 -7.750 6 HG1 THR 1 HG1 THR 1 128.888 -6.698 -9.791 7 1HG2 THR 1 HG21 THR 1 129.785 -4.534 -7.215 8 2HG2 THR 1 HG23 THR 1 128.340 -4.665 -8.217 9 3HG2 THR 1 HG22 THR 1 128.315 -5.248 -6.553 10 H ALA 2 HN ALA 2 130.307 -5.515 -5.049 11 HA ALA 2 HA ALA 2 129.078 -7.658 -3.428 12 1HB ALA 2 HB3 ALA 2 131.643 -6.257 -2.612 13 2HB ALA 2 HB2 ALA 2 130.699 -7.328 -1.578 14 3HB ALA 2 HB1 ALA 2 131.483 -7.964 -3.024 15 H PHE 3 HN PHE 3 127.216 -6.450 -3.122 16 HA PHE 3 HA PHE 3 127.219 -3.614 -2.567 17 1HB PHE 3 HB2 PHE 3 125.186 -5.817 -2.494 18 2HB PHE 3 HB1 PHE 3 124.809 -4.295 -1.688 19 HD1 PHE 3 HD1 PHE 3 126.656 -5.123 -4.858 20 HD2 PHE 3 HD2 PHE 3 123.397 -3.011 -3.018 21 HE1 PHE 3 HE1 PHE 3 126.086 -4.096 -7.042 22 HE2 PHE 3 HE2 PHE 3 122.828 -1.984 -5.202 23 HZ PHE 3 HZ PHE 3 124.173 -2.527 -7.214 24 H LEU 4 HN LEU 4 127.168 -2.556 -0.590 25 HA LEU 4 HA LEU 4 126.902 -4.096 1.910 26 1HB LEU 4 HB2 LEU 4 129.324 -4.263 1.302 27 2HB LEU 4 HB1 LEU 4 129.414 -2.501 1.320 28 HG LEU 4 HG LEU 4 128.432 -2.701 3.722 29 1HD1 LEU 4 HD13 LEU 4 129.275 -5.519 3.080 30 2HD1 LEU 4 HD12 LEU 4 129.377 -4.916 4.734 31 3HD1 LEU 4 HD11 LEU 4 127.820 -4.959 3.906 32 1HD2 LEU 4 HD22 LEU 4 131.242 -3.477 2.913 33 2HD2 LEU 4 HD21 LEU 4 130.660 -1.896 3.432 34 3HD2 LEU 4 HD23 LEU 4 130.789 -3.214 4.597 35 H TRP 5 HN TRP 5 125.400 -2.855 2.939 36 HA TRP 5 HA TRP 5 126.007 -0.017 3.411 37 1HB TRP 5 HB2 TRP 5 123.932 0.846 2.510 38 2HB TRP 5 HB1 TRP 5 124.741 -0.064 1.240 39 HD1 TRP 5 HD1 TRP 5 121.506 0.276 2.913 40 HE1 TRP 5 HE1 TRP 5 119.941 -1.688 2.332 41 HE3 TRP 5 HE3 TRP 5 124.866 -2.949 0.801 42 HZ2 TRP 5 HZ2 TRP 5 120.090 -4.277 1.138 43 HZ3 TRP 5 HZ3 TRP 5 124.123 -5.156 -0.041 44 HH2 TRP 5 HH2 TRP 5 121.742 -5.823 0.120 45 H ALA 6 HN ALA 6 124.344 0.933 4.970 46 HA ALA 6 HA ALA 6 123.320 -1.221 6.779 47 1HB ALA 6 HB2 ALA 6 125.305 0.322 7.521 48 2HB ALA 6 HB1 ALA 6 124.043 1.533 7.748 49 3HB ALA 6 HB3 ALA 6 123.986 0.020 8.651 50 H GLN 7 HN GLN 7 121.174 -1.095 7.321 51 HA GLN 7 HA GLN 7 119.728 1.465 6.970 52 1HB GLN 7 HB2 GLN 7 117.949 0.337 5.630 53 2HB GLN 7 HB1 GLN 7 119.495 0.407 4.784 54 1HG GLN 7 HG2 GLN 7 119.117 -1.822 4.457 55 2HG GLN 7 HG1 GLN 7 119.773 -1.962 6.089 56 1HE2 GLN 7 HE22 GLN 7 116.687 -2.919 7.530 57 2HE2 GLN 7 HE21 GLN 7 118.319 -2.537 7.799 58 H ASP 8 HN ASP 8 117.496 1.313 7.900 59 HA ASP 8 HA ASP 8 117.457 -0.649 10.153 60 1HB ASP 8 HB2 ASP 8 115.954 0.995 11.276 61 2HB ASP 8 HB1 ASP 8 117.534 1.678 10.898 62 H ARG 9 HN ARG 9 114.845 -0.613 10.888 63 HA ARG 9 HA ARG 9 113.579 -2.320 8.987 64 1HB ARG 9 HB2 ARG 9 111.546 -2.021 10.406 65 2HB ARG 9 HB1 ARG 9 112.984 -2.402 11.352 66 1HG ARG 9 HG2 ARG 9 113.270 -0.087 11.981 67 2HG ARG 9 HG1 ARG 9 111.998 0.422 10.871 68 1HD ARG 9 HD2 ARG 9 110.953 0.368 13.004 69 2HD ARG 9 HD1 ARG 9 110.439 -1.121 12.211 70 HE ARG 9 HE ARG 9 112.859 -1.469 13.793 71 1HH1 ARG 9 HH21 ARG 9 109.364 -1.385 13.883 72 2HH1 ARG 9 HH22 ARG 9 109.276 -2.369 15.301 73 1HH2 ARG 9 HH11 ARG 9 112.700 -2.741 15.627 74 2HH2 ARG 9 HH12 ARG 9 111.143 -3.130 16.280 75 H ASP 10 HN ASP 10 113.448 1.167 9.449 76 HA ASP 10 HA ASP 10 111.125 1.626 7.797 77 1HB ASP 10 HB2 ASP 10 113.435 3.483 8.451 78 2HB ASP 10 HB1 ASP 10 111.886 3.975 7.767 79 H GLY 11 HN GLY 11 114.628 1.613 7.159 80 1HA GLY 11 HA2 GLY 11 115.373 0.693 4.972 81 2HA GLY 11 HA1 GLY 11 113.981 1.493 4.240 82 H LEU 12 HN LEU 12 115.963 3.024 6.704 83 HA LEU 12 HA LEU 12 116.690 5.120 4.726 84 1HB LEU 12 HB2 LEU 12 115.631 5.584 7.053 85 2HB LEU 12 HB1 LEU 12 117.241 5.239 7.689 86 HG LEU 12 HG LEU 12 118.106 6.938 5.966 87 1HD1 LEU 12 HD12 LEU 12 115.135 7.547 5.924 88 2HD1 LEU 12 HD11 LEU 12 116.376 8.650 5.329 89 3HD1 LEU 12 HD13 LEU 12 116.142 7.084 4.551 90 1HD2 LEU 12 HD22 LEU 12 117.709 7.264 8.500 91 2HD2 LEU 12 HD21 LEU 12 117.836 8.718 7.511 92 3HD2 LEU 12 HD23 LEU 12 116.253 8.139 8.027 93 H ILE 13 HN ILE 13 118.772 5.357 4.026 94 HA ILE 13 HA ILE 13 120.831 3.564 5.235 95 HB ILE 13 HB ILE 13 122.044 3.901 3.071 96 1HG1 ILE 13 HG12 ILE 13 119.474 5.230 2.166 97 2HG1 ILE 13 HG11 ILE 13 120.925 6.130 2.606 98 1HG2 ILE 13 HG21 ILE 13 120.198 2.103 3.593 99 2HG2 ILE 13 HG23 ILE 13 119.249 3.014 2.419 100 3HG2 ILE 13 HG22 ILE 13 120.784 2.292 1.941 101 1HD1 ILE 13 HD11 ILE 13 121.125 3.896 0.611 102 2HD1 ILE 13 HD13 ILE 13 120.523 5.471 0.093 103 3HD1 ILE 13 HD12 ILE 13 122.140 5.328 0.783 104 H GLY 14 HN GLY 14 120.082 6.899 4.425 105 1HA GLY 14 HA2 GLY 14 122.250 7.811 6.187 106 2HA GLY 14 HA1 GLY 14 122.430 8.279 4.495 107 H LYS 15 HN LYS 15 122.238 10.428 5.913 108 HA LYS 15 HA LYS 15 119.593 11.522 5.305 109 1HB LYS 15 HB2 LYS 15 119.398 10.444 7.614 110 2HB LYS 15 HB1 LYS 15 120.538 11.668 8.175 111 1HG LYS 15 HG2 LYS 15 118.962 13.408 7.177 112 2HG LYS 15 HG1 LYS 15 117.787 12.105 6.996 113 1HD LYS 15 HD2 LYS 15 117.553 11.812 9.301 114 2HD LYS 15 HD1 LYS 15 119.122 12.538 9.651 115 1HE LYS 15 HE2 LYS 15 118.104 14.716 8.691 116 2HE LYS 15 HE1 LYS 15 116.547 13.914 8.893 117 1HZ LYS 15 HZ3 LYS 15 118.556 14.251 11.053 118 2HZ LYS 15 HZ2 LYS 15 117.209 15.263 10.827 119 3HZ LYS 15 HZ1 LYS 15 116.989 13.623 11.215 120 H ASP 16 HN ASP 16 120.248 13.331 4.250 121 HA ASP 16 HA ASP 16 121.357 15.345 3.793 122 1HB ASP 16 HB2 ASP 16 121.286 15.188 6.774 123 2HB ASP 16 HB1 ASP 16 122.349 16.395 6.048 124 H GLY 17 HN GLY 17 122.858 12.734 3.853 125 1HA GLY 17 HA2 GLY 17 125.113 12.395 3.078 126 2HA GLY 17 HA1 GLY 17 125.572 13.927 3.823 127 H HIS 18 HN HIS 18 124.551 13.562 6.404 128 HA HIS 18 HA HIS 18 126.479 11.575 7.448 129 1HB HIS 18 HB2 HIS 18 125.929 12.623 9.660 130 2HB HIS 18 HB1 HIS 18 126.542 13.777 8.477 131 HD1 HIS 18 HD1 HIS 18 123.179 12.502 9.756 132 HD2 HIS 18 HD2 HIS 18 124.853 15.934 8.082 133 HE1 HIS 18 HE1 HIS 18 121.361 14.266 9.769 134 H LEU 19 HN LEU 19 125.734 10.175 9.301 135 HA LEU 19 HA LEU 19 123.215 8.856 8.561 136 1HB LEU 19 HB2 LEU 19 125.436 8.235 10.510 137 2HB LEU 19 HB1 LEU 19 123.932 7.311 10.507 138 HG LEU 19 HG LEU 19 125.458 7.752 7.949 139 1HD1 LEU 19 HD12 LEU 19 126.972 6.772 9.732 140 2HD1 LEU 19 HD11 LEU 19 125.859 5.407 9.823 141 3HD1 LEU 19 HD13 LEU 19 126.725 5.740 8.324 142 1HD2 LEU 19 HD22 LEU 19 123.458 5.736 8.999 143 2HD2 LEU 19 HD21 LEU 19 123.260 6.852 7.649 144 3HD2 LEU 19 HD23 LEU 19 124.363 5.483 7.506 145 HA PRO 20 HA PRO 20 120.779 10.695 11.808 146 1HB PRO 20 HB2 PRO 20 118.896 8.652 12.056 147 2HB PRO 20 HB1 PRO 20 118.847 9.955 10.861 148 1HG PRO 20 HG2 PRO 20 119.310 7.150 10.430 149 2HG PRO 20 HG1 PRO 20 119.161 8.443 9.231 150 1HD PRO 20 HD2 PRO 20 121.569 7.122 10.203 151 2HD PRO 20 HD1 PRO 20 121.374 8.221 8.828 152 H TRP 21 HN TRP 21 121.488 7.220 12.222 153 HA TRP 21 HA TRP 21 121.311 7.512 15.163 154 1HB TRP 21 HB2 TRP 21 121.715 5.038 15.151 155 2HB TRP 21 HB1 TRP 21 120.299 5.513 14.214 156 HD1 TRP 21 HD1 TRP 21 123.979 4.498 13.735 157 HE1 TRP 21 HE1 TRP 21 124.255 3.533 11.360 158 HE3 TRP 21 HE3 TRP 21 119.304 5.373 11.879 159 HZ2 TRP 21 HZ2 TRP 21 122.697 3.180 8.986 160 HZ3 TRP 21 HZ3 TRP 21 118.726 4.714 9.562 161 HH2 TRP 21 HH2 TRP 21 120.415 3.620 8.114 162 H HIS 22 HN HIS 22 123.216 5.895 16.149 163 HA HIS 22 HA HIS 22 125.819 6.733 14.978 164 1HB HIS 22 HB2 HIS 22 125.110 8.368 16.776 165 2HB HIS 22 HB1 HIS 22 125.168 7.030 17.923 166 HD1 HIS 22 HD1 HIS 22 127.378 9.171 15.754 167 HD2 HIS 22 HD2 HIS 22 127.780 6.165 18.614 168 HE1 HIS 22 HE1 HIS 22 129.838 9.074 16.350 169 H LEU 23 HN LEU 23 126.096 4.513 14.396 170 HA LEU 23 HA LEU 23 126.376 2.630 16.701 171 1HB LEU 23 HB2 LEU 23 124.783 2.253 14.577 172 2HB LEU 23 HB1 LEU 23 126.283 1.617 13.900 173 HG LEU 23 HG LEU 23 126.475 0.286 16.117 174 1HD1 LEU 23 HD11 LEU 23 123.573 1.151 16.134 175 2HD1 LEU 23 HD13 LEU 23 124.161 -0.249 17.031 176 3HD1 LEU 23 HD12 LEU 23 124.767 1.361 17.416 177 1HD2 LEU 23 HD23 LEU 23 124.621 -0.199 13.812 178 2HD2 LEU 23 HD22 LEU 23 126.097 -1.055 14.258 179 3HD2 LEU 23 HD21 LEU 23 124.606 -1.340 15.156 180 HA PRO 24 HA PRO 24 130.752 3.029 15.498 181 1HB PRO 24 HB2 PRO 24 131.642 1.842 17.880 182 2HB PRO 24 HB1 PRO 24 131.464 3.576 17.582 183 1HG PRO 24 HG2 PRO 24 129.934 1.920 19.341 184 2HG PRO 24 HG1 PRO 24 129.767 3.657 19.048 185 1HD PRO 24 HD2 PRO 24 128.120 1.460 18.053 186 2HD PRO 24 HD1 PRO 24 127.791 3.199 18.042 187 H ASP 25 HN ASP 25 129.057 0.184 16.681 188 HA ASP 25 HA ASP 25 131.113 -1.740 16.066 189 1HB ASP 25 HB2 ASP 25 129.040 -2.084 17.536 190 2HB ASP 25 HB1 ASP 25 128.137 -2.279 16.033 191 H ASP 26 HN ASP 26 128.558 -0.206 14.198 192 HA ASP 26 HA ASP 26 128.761 -1.986 11.916 193 1HB ASP 26 HB2 ASP 26 126.776 -0.507 12.452 194 2HB ASP 26 HB1 ASP 26 127.751 0.870 11.941 195 H LEU 27 HN LEU 27 130.371 0.966 12.939 196 HA LEU 27 HA LEU 27 131.615 1.553 10.396 197 1HB LEU 27 HB2 LEU 27 132.138 2.388 13.247 198 2HB LEU 27 HB1 LEU 27 133.243 2.850 11.953 199 HG LEU 27 HG LEU 27 130.312 3.296 11.547 200 1HD1 LEU 27 HD11 LEU 27 132.136 5.050 13.220 201 2HD1 LEU 27 HD13 LEU 27 130.551 5.536 12.622 202 3HD1 LEU 27 HD12 LEU 27 130.688 4.212 13.779 203 1HD2 LEU 27 HD23 LEU 27 132.188 3.690 9.833 204 2HD2 LEU 27 HD22 LEU 27 131.079 5.033 10.107 205 3HD2 LEU 27 HD21 LEU 27 132.679 5.044 10.849 206 H HIS 28 HN HIS 28 132.476 -0.444 13.171 207 HA HIS 28 HA HIS 28 135.210 -0.927 12.392 208 1HB HIS 28 HB2 HIS 28 133.324 -2.594 14.088 209 2HB HIS 28 HB1 HIS 28 135.067 -2.842 13.970 210 HD1 HIS 28 HD1 HIS 28 136.127 -0.008 14.133 211 HD2 HIS 28 HD2 HIS 28 133.030 -1.382 16.562 212 HE1 HIS 28 HE1 HIS 28 136.082 1.506 16.164 213 H TYR 29 HN TYR 29 132.132 -2.510 11.661 214 HA TYR 29 HA TYR 29 133.306 -4.787 10.313 215 1HB TYR 29 HB2 TYR 29 130.912 -4.552 11.248 216 2HB TYR 29 HB1 TYR 29 130.555 -3.670 9.762 217 HD1 TYR 29 HD2 TYR 29 132.191 -6.849 10.908 218 HD2 TYR 29 HD1 TYR 29 129.870 -4.869 7.882 219 HE1 TYR 29 HE2 TYR 29 131.947 -8.995 9.690 220 HE2 TYR 29 HE1 TYR 29 129.626 -7.016 6.664 221 HH TYR 29 HH TYR 29 131.511 -9.706 7.288 222 H PHE 30 HN PHE 30 132.380 -1.539 9.343 223 HA PHE 30 HA PHE 30 132.424 -1.970 6.502 224 1HB PHE 30 HB2 PHE 30 131.449 0.046 7.658 225 2HB PHE 30 HB1 PHE 30 133.096 0.589 7.982 226 HD1 PHE 30 HD1 PHE 30 131.059 -0.704 5.101 227 HD2 PHE 30 HD2 PHE 30 134.056 2.058 6.457 228 HE1 PHE 30 HE1 PHE 30 131.186 0.274 2.826 229 HE2 PHE 30 HE2 PHE 30 134.183 3.037 4.182 230 HZ PHE 30 HZ PHE 30 132.748 2.145 2.366 231 H ARG 31 HN ARG 31 134.914 -0.871 8.806 232 HA ARG 31 HA ARG 31 136.993 -0.468 6.890 233 1HB ARG 31 HB2 ARG 31 137.012 0.277 9.310 234 2HB ARG 31 HB1 ARG 31 137.355 -1.396 9.751 235 1HG ARG 31 HG2 ARG 31 139.428 -1.380 8.538 236 2HG ARG 31 HG1 ARG 31 139.045 0.172 7.790 237 1HD ARG 31 HD2 ARG 31 140.382 0.945 9.493 238 2HD ARG 31 HD1 ARG 31 138.850 0.905 10.365 239 HE ARG 31 HE ARG 31 139.723 -0.831 11.681 240 1HH1 ARG 31 HH21 ARG 31 141.527 -0.591 8.695 241 2HH1 ARG 31 HH22 ARG 31 142.677 -1.789 9.177 242 1HH2 ARG 31 HH11 ARG 31 141.234 -2.375 12.264 243 2HH2 ARG 31 HH12 ARG 31 142.515 -2.789 11.175 244 H ALA 32 HN ALA 32 135.747 -3.361 8.440 245 HA ALA 32 HA ALA 32 137.994 -5.049 7.661 246 1HB ALA 32 HB1 ALA 32 135.259 -5.531 8.820 247 2HB ALA 32 HB3 ALA 32 136.208 -6.884 8.203 248 3HB ALA 32 HB2 ALA 32 136.838 -5.892 9.518 249 H GLN 33 HN GLN 33 134.933 -4.079 6.244 250 HA GLN 33 HA GLN 33 135.313 -6.023 4.019 251 1HB GLN 33 HB2 GLN 33 132.974 -4.181 4.611 252 2HB GLN 33 HB1 GLN 33 133.022 -5.437 3.373 253 1HG GLN 33 HG2 GLN 33 133.625 -6.188 6.212 254 2HG GLN 33 HG1 GLN 33 131.944 -5.937 5.737 255 1HE2 GLN 33 HE22 GLN 33 131.746 -9.100 4.229 256 2HE2 GLN 33 HE21 GLN 33 130.950 -7.805 4.985 257 H THR 34 HN THR 34 137.112 -3.785 4.256 258 HA THR 34 HA THR 34 136.605 -2.534 1.627 259 HB THR 34 HB THR 34 137.147 -0.259 2.585 260 HG1 THR 34 HG1 THR 34 136.610 -1.638 5.004 261 1HG2 THR 34 HG21 THR 34 134.837 -0.941 2.018 262 2HG2 THR 34 HG23 THR 34 134.644 -1.602 3.642 263 3HG2 THR 34 HG22 THR 34 134.870 0.133 3.417 264 H VAL 35 HN VAL 35 138.775 -2.704 4.458 265 HA VAL 35 HA VAL 35 141.142 -1.851 3.115 266 HB VAL 35 HB VAL 35 142.348 -3.020 4.961 267 1HG1 VAL 35 HG12 VAL 35 140.000 -1.219 5.464 268 2HG1 VAL 35 HG11 VAL 35 140.915 -1.840 6.837 269 3HG1 VAL 35 HG13 VAL 35 141.723 -0.871 5.605 270 1HG2 VAL 35 HG21 VAL 35 139.685 -4.312 5.200 271 2HG2 VAL 35 HG23 VAL 35 141.282 -4.941 5.605 272 3HG2 VAL 35 HG22 VAL 35 140.450 -3.859 6.722 273 H GLY 36 HN GLY 36 142.179 -2.835 1.466 274 1HA GLY 36 HA2 GLY 36 143.301 -4.639 0.373 275 2HA GLY 36 HA1 GLY 36 142.484 -5.770 1.452 276 H LYS 37 HN LYS 37 140.745 -3.262 -0.278 277 HA LYS 37 HA LYS 37 139.878 -5.105 -2.403 278 1HB LYS 37 HB2 LYS 37 137.976 -4.090 -0.269 279 2HB LYS 37 HB1 LYS 37 137.459 -4.819 -1.790 280 1HG LYS 37 HG2 LYS 37 138.833 -6.849 -1.188 281 2HG LYS 37 HG1 LYS 37 139.089 -6.127 0.402 282 1HD LYS 37 HD2 LYS 37 136.580 -5.978 0.643 283 2HD LYS 37 HD1 LYS 37 136.443 -6.922 -0.841 284 1HE LYS 37 HE2 LYS 37 137.335 -8.843 0.138 285 2HE LYS 37 HE1 LYS 37 138.176 -7.933 1.393 286 1HZ LYS 37 HZ1 LYS 37 135.228 -8.222 1.188 287 2HZ LYS 37 HZ3 LYS 37 136.219 -9.112 2.237 288 3HZ LYS 37 HZ2 LYS 37 136.078 -7.430 2.428 289 H ILE 38 HN ILE 38 137.924 -3.835 -3.603 290 HA ILE 38 HA ILE 38 138.988 -1.090 -4.053 291 HB ILE 38 HB ILE 38 137.076 -2.701 -5.771 292 1HG1 ILE 38 HG12 ILE 38 140.046 -2.251 -6.182 293 2HG1 ILE 38 HG11 ILE 38 139.381 -3.718 -5.464 294 1HG2 ILE 38 HG21 ILE 38 136.992 -0.255 -6.107 295 2HG2 ILE 38 HG23 ILE 38 138.739 -0.225 -6.332 296 3HG2 ILE 38 HG22 ILE 38 137.714 -1.058 -7.501 297 1HD1 ILE 38 HD12 ILE 38 138.630 -2.646 -8.199 298 2HD1 ILE 38 HD11 ILE 38 139.776 -3.956 -7.914 299 3HD1 ILE 38 HD13 ILE 38 138.078 -4.160 -7.482 300 H MET 39 HN MET 39 137.888 0.500 -3.033 301 HA MET 39 HA MET 39 135.066 0.059 -2.248 302 1HB MET 39 HB2 MET 39 137.012 1.110 -0.794 303 2HB MET 39 HB1 MET 39 136.566 2.586 -1.653 304 1HG MET 39 HG2 MET 39 134.356 2.548 -0.807 305 2HG MET 39 HG1 MET 39 134.483 0.858 -0.318 306 1HE MET 39 HE1 MET 39 136.965 3.757 -0.086 307 2HE MET 39 HE3 MET 39 135.485 4.570 0.440 308 3HE MET 39 HE2 MET 39 136.817 4.340 1.570 309 H VAL 40 HN VAL 40 133.527 0.678 -3.671 310 HA VAL 40 HA VAL 40 134.145 2.858 -5.604 311 HB VAL 40 HB VAL 40 131.808 0.925 -5.595 312 1HG1 VAL 40 HG11 VAL 40 132.881 2.964 -7.546 313 2HG1 VAL 40 HG13 VAL 40 131.865 1.625 -8.079 314 3HG1 VAL 40 HG12 VAL 40 131.238 2.802 -6.924 315 1HG2 VAL 40 HG21 VAL 40 134.532 0.808 -6.908 316 2HG2 VAL 40 HG23 VAL 40 133.772 -0.406 -5.879 317 3HG2 VAL 40 HG22 VAL 40 133.157 -0.121 -7.507 318 H VAL 41 HN VAL 41 133.481 4.839 -4.939 319 HA VAL 41 HA VAL 41 130.799 5.061 -3.648 320 HB VAL 41 HB VAL 41 131.755 6.850 -2.166 321 1HG1 VAL 41 HG12 VAL 41 132.884 4.045 -1.989 322 2HG1 VAL 41 HG11 VAL 41 133.009 5.224 -0.684 323 3HG1 VAL 41 HG13 VAL 41 131.425 4.661 -1.214 324 1HG2 VAL 41 HG23 VAL 41 134.345 5.804 -3.350 325 2HG2 VAL 41 HG22 VAL 41 133.726 7.452 -3.441 326 3HG2 VAL 41 HG21 VAL 41 134.264 6.797 -1.895 327 H GLY 42 HN GLY 42 129.640 6.906 -4.253 328 1HA GLY 42 HA2 GLY 42 130.470 8.192 -6.729 329 2HA GLY 42 HA1 GLY 42 128.991 8.537 -5.831 330 H ARG 43 HN ARG 43 129.599 10.830 -6.371 331 HA ARG 43 HA ARG 43 131.923 11.973 -5.011 332 1HB ARG 43 HB2 ARG 43 130.102 12.790 -7.056 333 2HB ARG 43 HB1 ARG 43 130.000 13.982 -5.762 334 1HG ARG 43 HG2 ARG 43 132.659 13.750 -5.837 335 2HG ARG 43 HG1 ARG 43 132.324 13.258 -7.498 336 1HD ARG 43 HD2 ARG 43 132.527 15.576 -7.720 337 2HD ARG 43 HD1 ARG 43 130.785 15.382 -7.532 338 HE ARG 43 HE ARG 43 132.027 15.729 -4.960 339 1HH1 ARG 43 HH11 ARG 43 131.097 17.474 -7.845 340 2HH1 ARG 43 HH12 ARG 43 130.916 18.972 -7.002 341 1HH2 ARG 43 HH21 ARG 43 131.781 17.689 -3.909 342 2HH2 ARG 43 HH22 ARG 43 131.299 19.095 -4.798 343 H ARG 44 HN ARG 44 128.397 11.936 -4.509 344 HA ARG 44 HA ARG 44 128.389 13.641 -2.208 345 1HB ARG 44 HB2 ARG 44 126.468 11.429 -2.995 346 2HB ARG 44 HB1 ARG 44 126.150 12.689 -1.807 347 1HG ARG 44 HG2 ARG 44 126.999 13.474 -4.573 348 2HG ARG 44 HG1 ARG 44 125.324 13.000 -4.287 349 1HD ARG 44 HD2 ARG 44 124.947 14.771 -2.785 350 2HD ARG 44 HD1 ARG 44 126.670 15.017 -2.499 351 HE ARG 44 HE ARG 44 126.073 15.503 -5.264 352 1HH1 ARG 44 HH21 ARG 44 125.658 16.893 -2.080 353 2HH1 ARG 44 HH22 ARG 44 125.602 18.511 -2.685 354 1HH2 ARG 44 HH11 ARG 44 125.995 17.614 -6.001 355 2HH2 ARG 44 HH12 ARG 44 125.791 18.918 -4.879 356 H THR 45 HN THR 45 128.669 10.119 -2.601 357 HA THR 45 HA THR 45 128.674 9.566 0.246 358 HB THR 45 HB THR 45 129.883 7.812 -1.901 359 HG1 THR 45 HG1 THR 45 127.163 8.077 -1.144 360 1HG2 THR 45 HG22 THR 45 128.561 7.335 0.779 361 2HG2 THR 45 HG21 THR 45 128.916 6.043 -0.368 362 3HG2 THR 45 HG23 THR 45 130.230 6.989 0.329 363 H TYR 46 HN TYR 46 131.127 10.313 -2.161 364 HA TYR 46 HA TYR 46 133.419 9.532 -0.617 365 1HB TYR 46 HB2 TYR 46 133.425 10.039 -3.083 366 2HB TYR 46 HB1 TYR 46 133.257 11.748 -2.681 367 HD1 TYR 46 HD1 TYR 46 135.367 8.791 -1.724 368 HD2 TYR 46 HD2 TYR 46 135.199 13.015 -2.489 369 HE1 TYR 46 HE1 TYR 46 137.818 8.952 -1.378 370 HE2 TYR 46 HE2 TYR 46 137.649 13.174 -2.143 371 HH TYR 46 HH TYR 46 139.654 11.441 -2.374 372 H GLU 47 HN GLU 47 131.540 12.529 -0.815 373 HA GLU 47 HA GLU 47 133.331 14.038 0.906 374 1HB GLU 47 HB2 GLU 47 130.480 14.497 -0.006 375 2HB GLU 47 HB1 GLU 47 131.365 15.636 1.009 376 1HG GLU 47 HG2 GLU 47 132.921 16.131 -0.677 377 2HG GLU 47 HG1 GLU 47 132.568 14.648 -1.567 378 H SER 48 HN SER 48 130.671 11.837 1.430 379 HA SER 48 HA SER 48 129.868 12.697 4.030 380 1HB SER 48 HB2 SER 48 128.795 10.575 4.230 381 2HB SER 48 HB1 SER 48 128.724 10.980 2.517 382 HG SER 48 HG SER 48 129.859 8.875 3.701 383 H PHE 49 HN PHE 49 132.621 10.822 2.925 384 HA PHE 49 HA PHE 49 133.360 9.643 5.422 385 1HB PHE 49 HB2 PHE 49 135.092 10.520 3.090 386 2HB PHE 49 HB1 PHE 49 135.641 9.499 4.420 387 HD1 PHE 49 HD1 PHE 49 133.625 7.594 4.943 388 HD2 PHE 49 HD2 PHE 49 134.718 9.291 1.151 389 HE1 PHE 49 HE1 PHE 49 132.713 5.598 3.787 390 HE2 PHE 49 HE2 PHE 49 133.805 7.295 -0.004 391 HZ PHE 49 HZ PHE 49 132.803 5.449 1.313 392 HA PRO 50 HA PRO 50 135.028 13.129 7.643 393 1HB PRO 50 HB2 PRO 50 136.878 11.733 9.204 394 2HB PRO 50 HB1 PRO 50 135.160 11.932 9.573 395 1HG PRO 50 HG2 PRO 50 136.556 9.536 8.831 396 2HG PRO 50 HG1 PRO 50 134.854 9.728 9.271 397 1HD PRO 50 HD2 PRO 50 136.034 9.402 6.624 398 2HD PRO 50 HD1 PRO 50 134.335 9.305 7.111 399 H LYS 51 HN LYS 51 137.717 10.831 7.051 400 HA LYS 51 HA LYS 51 139.369 13.150 6.145 401 1HB LYS 51 HB2 LYS 51 140.031 11.522 8.123 402 2HB LYS 51 HB1 LYS 51 140.535 10.465 6.803 403 1HG LYS 51 HG2 LYS 51 142.043 12.134 5.939 404 2HG LYS 51 HG1 LYS 51 141.415 13.353 7.049 405 1HD LYS 51 HD2 LYS 51 142.137 11.615 8.896 406 2HD LYS 51 HD1 LYS 51 143.198 11.009 7.624 407 1HE LYS 51 HE2 LYS 51 144.539 12.620 8.677 408 2HE LYS 51 HE1 LYS 51 143.859 13.518 7.321 409 1HZ LYS 51 HZ2 LYS 51 142.042 14.198 8.895 410 2HZ LYS 51 HZ1 LYS 51 142.993 13.568 10.153 411 3HZ LYS 51 HZ3 LYS 51 143.573 14.858 9.217 412 H ARG 52 HN ARG 52 139.175 13.264 3.943 413 HA ARG 52 HA ARG 52 139.230 10.721 2.390 414 1HB ARG 52 HB2 ARG 52 138.528 13.513 1.434 415 2HB ARG 52 HB1 ARG 52 138.310 12.008 0.540 416 1HG ARG 52 HG2 ARG 52 136.580 11.270 1.968 417 2HG ARG 52 HG1 ARG 52 137.015 12.419 3.234 418 1HD ARG 52 HD2 ARG 52 135.831 13.102 0.527 419 2HD ARG 52 HD1 ARG 52 135.004 13.199 2.081 420 HE ARG 52 HE ARG 52 136.917 15.134 1.029 421 1HH1 ARG 52 HH11 ARG 52 135.486 13.779 3.920 422 2HH1 ARG 52 HH12 ARG 52 135.818 15.187 4.865 423 1HH2 ARG 52 HH21 ARG 52 137.330 16.933 2.291 424 2HH2 ARG 52 HH22 ARG 52 136.851 16.954 3.955 425 HA PRO 53 HA PRO 53 139.702 9.923 0.515 426 1HB PRO 53 HB2 PRO 53 141.796 8.397 -0.526 427 2HB PRO 53 HB1 PRO 53 140.799 9.535 -1.442 428 1HG PRO 53 HG2 PRO 53 143.575 9.756 -0.784 429 2HG PRO 53 HG1 PRO 53 142.575 10.885 -1.709 430 1HD PRO 53 HD2 PRO 53 143.458 11.057 1.084 431 2HD PRO 53 HD1 PRO 53 142.811 12.326 0.031 432 H LEU 54 HN LEU 54 139.558 7.660 1.227 433 HA LEU 54 HA LEU 54 140.663 7.257 3.882 434 1HB LEU 54 HB2 LEU 54 138.973 5.549 2.049 435 2HB LEU 54 HB1 LEU 54 139.521 4.981 3.627 436 HG LEU 54 HG LEU 54 138.007 7.573 3.233 437 1HD1 LEU 54 HD12 LEU 54 137.075 4.752 3.617 438 2HD1 LEU 54 HD11 LEU 54 136.190 6.047 4.423 439 3HD1 LEU 54 HD13 LEU 54 136.351 6.048 2.666 440 1HD2 LEU 54 HD23 LEU 54 138.917 5.929 5.594 441 2HD2 LEU 54 HD22 LEU 54 139.163 7.649 5.293 442 3HD2 LEU 54 HD21 LEU 54 137.564 7.052 5.739 443 HA PRO 55 HA PRO 55 144.358 5.192 2.278 444 1HB PRO 55 HB2 PRO 55 145.488 4.812 4.802 445 2HB PRO 55 HB1 PRO 55 145.719 6.232 3.772 446 1HG PRO 55 HG2 PRO 55 144.289 6.034 6.261 447 2HG PRO 55 HG1 PRO 55 144.621 7.473 5.286 448 1HD PRO 55 HD2 PRO 55 142.145 5.971 5.522 449 2HD PRO 55 HD1 PRO 55 142.432 7.530 4.734 450 H GLU 56 HN GLU 56 145.570 3.087 2.977 451 HA GLU 56 HA GLU 56 145.477 0.772 3.321 452 1HB GLU 56 HB2 GLU 56 143.227 1.427 5.246 453 2HB GLU 56 HB1 GLU 56 144.220 -0.031 5.233 454 1HG GLU 56 HG2 GLU 56 146.237 1.496 5.564 455 2HG GLU 56 HG1 GLU 56 145.085 2.790 5.896 456 H ARG 57 HN ARG 57 143.761 2.101 1.276 457 HA ARG 57 HA ARG 57 142.327 -0.188 0.360 458 1HB ARG 57 HB2 ARG 57 140.000 0.664 0.620 459 2HB ARG 57 HB1 ARG 57 140.759 0.307 2.171 460 1HG ARG 57 HG2 ARG 57 141.469 2.820 2.124 461 2HG ARG 57 HG1 ARG 57 140.188 2.986 0.922 462 1HD ARG 57 HD2 ARG 57 138.871 3.302 2.761 463 2HD ARG 57 HD1 ARG 57 138.882 1.540 2.817 464 HE ARG 57 HE ARG 57 141.155 2.574 4.235 465 1HH1 ARG 57 HH21 ARG 57 137.686 2.208 4.484 466 2HH1 ARG 57 HH22 ARG 57 137.713 2.177 6.213 467 1HH2 ARG 57 HH11 ARG 57 141.143 2.529 6.471 468 2HH2 ARG 57 HH12 ARG 57 139.647 2.357 7.328 469 H THR 58 HN THR 58 141.151 0.291 -1.670 470 HA THR 58 HA THR 58 142.371 2.607 -3.051 471 HB THR 58 HB THR 58 140.600 0.471 -4.259 472 HG1 THR 58 HG1 THR 58 143.415 0.485 -3.911 473 1HG2 THR 58 HG21 THR 58 141.327 2.704 -5.430 474 2HG2 THR 58 HG23 THR 58 142.887 1.897 -5.583 475 3HG2 THR 58 HG22 THR 58 141.450 1.182 -6.313 476 H ASN 59 HN ASN 59 141.228 4.432 -3.501 477 HA ASN 59 HA ASN 59 138.306 4.419 -2.912 478 1HB ASN 59 HB2 ASN 59 140.405 6.587 -2.984 479 2HB ASN 59 HB1 ASN 59 138.685 6.978 -3.026 480 1HD2 ASN 59 HD22 ASN 59 140.211 5.242 0.383 481 2HD2 ASN 59 HD21 ASN 59 140.989 4.970 -1.100 482 H VAL 60 HN VAL 60 137.107 4.086 -4.718 483 HA VAL 60 HA VAL 60 138.074 5.216 -7.306 484 HB VAL 60 HB VAL 60 135.893 3.162 -6.826 485 1HG1 VAL 60 HG13 VAL 60 137.315 4.202 -9.286 486 2HG1 VAL 60 HG12 VAL 60 136.388 2.702 -9.283 487 3HG1 VAL 60 HG11 VAL 60 135.586 4.236 -8.946 488 1HG2 VAL 60 HG22 VAL 60 138.859 2.927 -7.280 489 2HG2 VAL 60 HG21 VAL 60 137.837 2.035 -6.154 490 3HG2 VAL 60 HG23 VAL 60 137.777 1.670 -7.879 491 H VAL 61 HN VAL 61 137.313 7.340 -7.182 492 HA VAL 61 HA VAL 61 134.580 7.926 -6.316 493 HB VAL 61 HB VAL 61 136.559 9.731 -7.740 494 1HG1 VAL 61 HG11 VAL 61 133.969 10.139 -6.257 495 2HG1 VAL 61 HG13 VAL 61 135.171 11.429 -6.319 496 3HG1 VAL 61 HG12 VAL 61 134.471 10.803 -7.812 497 1HG2 VAL 61 HG23 VAL 61 136.100 9.232 -4.780 498 2HG2 VAL 61 HG22 VAL 61 137.556 8.830 -5.691 499 3HG2 VAL 61 HG21 VAL 61 137.112 10.518 -5.438 500 H LEU 62 HN LEU 62 132.809 8.006 -7.619 501 HA LEU 62 HA LEU 62 133.258 7.886 -10.577 502 1HB LEU 62 HB2 LEU 62 132.267 5.819 -9.488 503 2HB LEU 62 HB1 LEU 62 130.862 6.803 -9.073 504 HG LEU 62 HG LEU 62 130.869 7.425 -11.615 505 1HD1 LEU 62 HD12 LEU 62 132.699 5.050 -11.444 506 2HD1 LEU 62 HD11 LEU 62 131.654 5.240 -12.851 507 3HD1 LEU 62 HD13 LEU 62 132.834 6.488 -12.455 508 1HD2 LEU 62 HD22 LEU 62 130.015 4.786 -10.413 509 2HD2 LEU 62 HD21 LEU 62 129.025 6.211 -10.735 510 3HD2 LEU 62 HD23 LEU 62 129.609 5.222 -12.074 511 H THR 63 HN THR 63 132.768 9.853 -11.420 512 HA THR 63 HA THR 63 130.158 11.074 -10.750 513 HB THR 63 HB THR 63 131.636 12.163 -9.152 514 HG1 THR 63 HG1 THR 63 131.521 14.322 -10.044 515 1HG2 THR 63 HG21 THR 63 133.395 12.532 -11.578 516 2HG2 THR 63 HG23 THR 63 133.588 13.515 -10.126 517 3HG2 THR 63 HG22 THR 63 133.802 11.767 -10.042 518 H HIS 64 HN HIS 64 129.796 13.028 -12.262 519 HA HIS 64 HA HIS 64 130.884 12.317 -14.948 520 1HB HIS 64 HB2 HIS 64 128.349 13.696 -14.049 521 2HB HIS 64 HB1 HIS 64 128.897 13.754 -15.725 522 HD1 HIS 64 HD1 HIS 64 126.960 11.713 -13.445 523 HD2 HIS 64 HD2 HIS 64 129.312 10.970 -16.806 524 HE1 HIS 64 HE1 HIS 64 126.322 9.405 -14.269 525 H GLN 65 HN GLN 65 132.290 13.993 -12.941 526 HA GLN 65 HA GLN 65 132.317 16.596 -14.417 527 1HB GLN 65 HB2 GLN 65 131.773 16.483 -11.867 528 2HB GLN 65 HB1 GLN 65 133.504 16.199 -11.677 529 1HG GLN 65 HG2 GLN 65 133.408 18.525 -11.550 530 2HG GLN 65 HG1 GLN 65 133.726 18.284 -13.268 531 1HE2 GLN 65 HE22 GLN 65 130.531 20.380 -12.362 532 2HE2 GLN 65 HE21 GLN 65 131.945 20.248 -11.433 533 H GLU 66 HN GLU 66 134.253 17.256 -15.315 534 HA GLU 66 HA GLU 66 136.507 15.314 -15.151 535 1HB GLU 66 HB2 GLU 66 135.650 17.353 -17.192 536 2HB GLU 66 HB1 GLU 66 137.310 16.759 -17.170 537 1HG GLU 66 HG2 GLU 66 136.401 14.415 -17.245 538 2HG GLU 66 HG1 GLU 66 134.791 15.101 -17.466 539 H ASP 67 HN ASP 67 135.902 17.383 -13.087 540 HA ASP 67 HA ASP 67 138.535 18.785 -13.203 541 1HB ASP 67 HB2 ASP 67 135.818 19.939 -12.603 542 2HB ASP 67 HB1 ASP 67 137.276 20.674 -11.933 543 H TYR 68 HN TYR 68 137.259 16.352 -11.725 544 HA TYR 68 HA TYR 68 137.535 17.257 -8.918 545 1HB TYR 68 HB2 TYR 68 135.753 15.571 -9.875 546 2HB TYR 68 HB1 TYR 68 137.065 14.402 -9.726 547 HD1 TYR 68 HD2 TYR 68 134.814 16.676 -7.895 548 HD2 TYR 68 HD1 TYR 68 137.958 13.769 -7.548 549 HE1 TYR 68 HE2 TYR 68 134.384 16.501 -5.458 550 HE2 TYR 68 HE1 TYR 68 137.527 13.594 -5.112 551 HH TYR 68 HH TYR 68 134.738 14.916 -3.639 552 H GLN 69 HN GLN 69 139.439 17.030 -7.848 553 HA GLN 69 HA GLN 69 141.376 14.975 -8.817 554 1HB GLN 69 HB2 GLN 69 141.919 17.886 -8.190 555 2HB GLN 69 HB1 GLN 69 143.196 16.672 -8.280 556 1HG GLN 69 HG2 GLN 69 142.104 16.096 -10.599 557 2HG GLN 69 HG1 GLN 69 141.429 17.721 -10.470 558 1HE2 GLN 69 HE22 GLN 69 145.493 17.280 -10.899 559 2HE2 GLN 69 HE21 GLN 69 144.569 15.970 -10.341 560 H ALA 70 HN ALA 70 142.294 13.804 -7.178 561 HA ALA 70 HA ALA 70 142.331 14.875 -4.426 562 1HB ALA 70 HB3 ALA 70 140.603 12.600 -5.348 563 2HB ALA 70 HB2 ALA 70 141.303 12.544 -3.730 564 3HB ALA 70 HB1 ALA 70 140.239 13.876 -4.186 565 H GLN 71 HN GLN 71 144.198 14.235 -3.460 566 HA GLN 71 HA GLN 71 146.021 12.449 -4.857 567 1HB GLN 71 HB2 GLN 71 146.099 14.071 -2.340 568 2HB GLN 71 HB1 GLN 71 147.283 12.781 -2.545 569 1HG GLN 71 HG2 GLN 71 146.810 14.709 -4.796 570 2HG GLN 71 HG1 GLN 71 147.823 15.199 -3.437 571 1HE2 GLN 71 HE22 GLN 71 150.429 12.854 -4.208 572 2HE2 GLN 71 HE21 GLN 71 149.721 13.729 -2.937 573 H GLY 72 HN GLY 72 145.731 10.278 -4.782 574 1HA GLY 72 HA2 GLY 72 145.882 8.198 -3.545 575 2HA GLY 72 HA1 GLY 72 145.203 9.018 -2.141 576 H ALA 73 HN ALA 73 143.531 9.821 -5.016 577 HA ALA 73 HA ALA 73 141.535 7.654 -4.555 578 1HB ALA 73 HB2 ALA 73 140.939 9.902 -3.451 579 2HB ALA 73 HB1 ALA 73 140.743 10.521 -5.092 580 3HB ALA 73 HB3 ALA 73 139.727 9.197 -4.521 581 H VAL 74 HN VAL 74 141.268 6.597 -6.449 582 HA VAL 74 HA VAL 74 142.105 7.796 -8.983 583 HB VAL 74 HB VAL 74 140.656 5.175 -8.502 584 1HG1 VAL 74 HG12 VAL 74 140.799 6.206 -10.855 585 2HG1 VAL 74 HG11 VAL 74 142.535 5.914 -10.751 586 3HG1 VAL 74 HG13 VAL 74 141.405 4.560 -10.672 587 1HG2 VAL 74 HG22 VAL 74 142.815 5.452 -7.210 588 2HG2 VAL 74 HG21 VAL 74 142.835 4.135 -8.382 589 3HG2 VAL 74 HG23 VAL 74 143.639 5.660 -8.755 590 H VAL 75 HN VAL 75 140.780 9.213 -10.001 591 HA VAL 75 HA VAL 75 137.848 9.027 -9.605 592 HB VAL 75 HB VAL 75 139.449 11.104 -11.129 593 1HG1 VAL 75 HG11 VAL 75 136.969 10.860 -11.606 594 2HG1 VAL 75 HG13 VAL 75 136.678 11.274 -9.917 595 3HG1 VAL 75 HG12 VAL 75 137.451 12.441 -10.990 596 1HG2 VAL 75 HG23 VAL 75 138.609 10.911 -8.230 597 2HG2 VAL 75 HG22 VAL 75 140.216 11.235 -8.880 598 3HG2 VAL 75 HG21 VAL 75 138.954 12.461 -8.997 599 H VAL 76 HN VAL 76 136.926 7.547 -10.961 600 HA VAL 76 HA VAL 76 137.973 7.220 -13.711 601 HB VAL 76 HB VAL 76 136.300 5.357 -13.824 602 1HG1 VAL 76 HG11 VAL 76 138.629 4.993 -13.024 603 2HG1 VAL 76 HG13 VAL 76 138.087 5.298 -11.373 604 3HG1 VAL 76 HG12 VAL 76 137.482 3.895 -12.256 605 1HG2 VAL 76 HG22 VAL 76 134.958 6.682 -11.894 606 2HG2 VAL 76 HG21 VAL 76 134.789 4.944 -12.139 607 3HG2 VAL 76 HG23 VAL 76 135.866 5.557 -10.883 608 H HIS 77 HN HIS 77 136.097 6.924 -15.413 609 HA HIS 77 HA HIS 77 133.861 8.812 -14.974 610 1HB HIS 77 HB2 HIS 77 135.840 9.153 -17.247 611 2HB HIS 77 HB1 HIS 77 134.396 10.126 -16.971 612 HD1 HIS 77 HD1 HIS 77 134.407 11.710 -14.863 613 HD2 HIS 77 HD2 HIS 77 138.049 9.833 -15.630 614 HE1 HIS 77 HE1 HIS 77 136.143 12.919 -13.471 615 H ASP 78 HN ASP 78 134.003 5.942 -15.368 616 HA ASP 78 HA ASP 78 132.006 5.645 -17.419 617 1HB ASP 78 HB2 ASP 78 134.238 5.884 -18.718 618 2HB ASP 78 HB1 ASP 78 134.602 4.270 -18.106 619 H VAL 79 HN VAL 79 130.846 3.824 -16.941 620 HA VAL 79 HA VAL 79 131.450 2.256 -14.632 621 HB VAL 79 HB VAL 79 129.621 1.503 -16.931 622 1HG1 VAL 79 HG11 VAL 79 129.929 0.622 -14.065 623 2HG1 VAL 79 HG13 VAL 79 128.378 0.470 -14.892 624 3HG1 VAL 79 HG12 VAL 79 129.796 -0.371 -15.517 625 1HG2 VAL 79 HG23 VAL 79 129.311 3.397 -14.609 626 2HG2 VAL 79 HG22 VAL 79 128.852 3.632 -16.296 627 3HG2 VAL 79 HG21 VAL 79 127.904 2.560 -15.265 628 H ALA 80 HN ALA 80 132.066 1.740 -18.075 629 HA ALA 80 HA ALA 80 132.900 -1.002 -17.870 630 1HB ALA 80 HB3 ALA 80 132.328 0.275 -20.002 631 2HB ALA 80 HB2 ALA 80 133.922 1.021 -19.877 632 3HB ALA 80 HB1 ALA 80 133.780 -0.725 -20.083 633 H ALA 81 HN ALA 81 134.597 2.084 -17.521 634 HA ALA 81 HA ALA 81 137.257 1.022 -17.414 635 1HB ALA 81 HB2 ALA 81 135.970 3.544 -16.374 636 2HB ALA 81 HB1 ALA 81 137.663 3.185 -16.037 637 3HB ALA 81 HB3 ALA 81 137.114 3.361 -17.704 638 H VAL 82 HN VAL 82 134.804 1.599 -14.907 639 HA VAL 82 HA VAL 82 136.433 0.959 -12.650 640 HB VAL 82 HB VAL 82 133.460 0.449 -12.950 641 1HG1 VAL 82 HG12 VAL 82 135.286 0.919 -10.577 642 2HG1 VAL 82 HG11 VAL 82 133.525 0.943 -10.476 643 3HG1 VAL 82 HG13 VAL 82 134.362 -0.539 -10.937 644 1HG2 VAL 82 HG21 VAL 82 135.049 2.960 -12.422 645 2HG2 VAL 82 HG23 VAL 82 133.714 2.720 -13.550 646 3HG2 VAL 82 HG22 VAL 82 133.402 2.787 -11.815 647 H PHE 83 HN PHE 83 134.730 -1.052 -14.972 648 HA PHE 83 HA PHE 83 135.092 -3.508 -13.416 649 1HB PHE 83 HB2 PHE 83 133.977 -2.804 -16.107 650 2HB PHE 83 HB1 PHE 83 134.454 -4.474 -15.804 651 HD1 PHE 83 HD2 PHE 83 133.706 -5.316 -13.322 652 HD2 PHE 83 HD1 PHE 83 131.759 -2.280 -15.655 653 HE1 PHE 83 HE2 PHE 83 131.608 -5.687 -12.053 654 HE2 PHE 83 HE1 PHE 83 129.661 -2.652 -14.386 655 HZ PHE 83 HZ PHE 83 129.585 -4.355 -12.586 656 H ALA 84 HN ALA 84 136.769 -1.786 -15.980 657 HA ALA 84 HA ALA 84 138.494 -3.903 -16.837 658 1HB ALA 84 HB1 ALA 84 138.106 -1.561 -17.889 659 2HB ALA 84 HB3 ALA 84 139.333 -1.008 -16.749 660 3HB ALA 84 HB2 ALA 84 139.736 -2.233 -17.950 661 H TYR 85 HN TYR 85 138.770 -1.496 -14.241 662 HA TYR 85 HA TYR 85 141.453 -2.124 -13.464 663 1HB TYR 85 HB2 TYR 85 140.088 -0.112 -12.725 664 2HB TYR 85 HB1 TYR 85 139.237 -1.192 -11.620 665 HD1 TYR 85 HD2 TYR 85 142.712 -0.183 -12.604 666 HD2 TYR 85 HD1 TYR 85 140.109 -1.572 -9.482 667 HE1 TYR 85 HE2 TYR 85 144.562 0.029 -10.967 668 HE2 TYR 85 HE1 TYR 85 141.958 -1.358 -7.845 669 HH TYR 85 HH TYR 85 144.490 0.395 -8.152 670 H ALA 86 HN ALA 86 138.319 -3.516 -12.588 671 HA ALA 86 HA ALA 86 139.289 -5.206 -10.472 672 1HB ALA 86 HB2 ALA 86 136.840 -4.578 -11.124 673 2HB ALA 86 HB1 ALA 86 136.961 -5.943 -12.234 674 3HB ALA 86 HB3 ALA 86 137.159 -6.196 -10.500 675 H LYS 87 HN LYS 87 138.902 -5.674 -13.971 676 HA LYS 87 HA LYS 87 139.578 -8.456 -14.026 677 1HB LYS 87 HB2 LYS 87 138.609 -6.918 -15.904 678 2HB LYS 87 HB1 LYS 87 140.301 -6.561 -16.253 679 1HG LYS 87 HG2 LYS 87 139.564 -9.429 -15.906 680 2HG LYS 87 HG1 LYS 87 139.025 -8.633 -17.385 681 1HD LYS 87 HD2 LYS 87 141.487 -7.763 -17.516 682 2HD LYS 87 HD1 LYS 87 141.831 -9.090 -16.405 683 1HE LYS 87 HE2 LYS 87 142.139 -10.096 -18.501 684 2HE LYS 87 HE1 LYS 87 140.478 -10.540 -18.104 685 1HZ LYS 87 HZ3 LYS 87 139.782 -8.512 -19.354 686 2HZ LYS 87 HZ2 LYS 87 141.388 -8.353 -19.888 687 3HZ LYS 87 HZ1 LYS 87 140.481 -9.726 -20.310 688 H GLN 88 HN GLN 88 141.570 -5.520 -14.358 689 HA GLN 88 HA GLN 88 144.052 -6.917 -14.767 690 1HB GLN 88 HB2 GLN 88 143.274 -4.124 -14.001 691 2HB GLN 88 HB1 GLN 88 144.955 -4.623 -13.808 692 1HG GLN 88 HG2 GLN 88 144.955 -5.378 -16.194 693 2HG GLN 88 HG1 GLN 88 143.325 -4.724 -16.363 694 1HE2 GLN 88 HE22 GLN 88 146.322 -1.986 -15.641 695 2HE2 GLN 88 HE21 GLN 88 146.381 -3.494 -14.863 696 H HIS 89 HN HIS 89 142.224 -6.022 -11.909 697 HA HIS 89 HA HIS 89 144.418 -7.142 -10.211 698 1HB HIS 89 HB2 HIS 89 142.202 -5.238 -9.398 699 2HB HIS 89 HB1 HIS 89 143.529 -5.792 -8.378 700 HD1 HIS 89 HD1 HIS 89 145.243 -4.003 -8.178 701 HD2 HIS 89 HD2 HIS 89 143.570 -4.087 -11.996 702 HE1 HIS 89 HE1 HIS 89 146.425 -2.207 -9.519 703 HA PRO 90 HA PRO 90 141.037 -10.238 -9.828 704 1HB PRO 90 HB2 PRO 90 142.872 -12.342 -9.540 705 2HB PRO 90 HB1 PRO 90 142.046 -11.875 -11.033 706 1HG PRO 90 HG2 PRO 90 144.827 -11.641 -10.407 707 2HG PRO 90 HG1 PRO 90 143.998 -11.192 -11.903 708 1HD PRO 90 HD2 PRO 90 144.955 -9.472 -9.747 709 2HD PRO 90 HD1 PRO 90 144.413 -9.030 -11.373 710 H ASP 91 HN ASP 91 143.968 -9.749 -7.931 711 HA ASP 91 HA ASP 91 143.135 -11.306 -5.643 712 1HB ASP 91 HB2 ASP 91 145.508 -10.489 -6.228 713 2HB ASP 91 HB1 ASP 91 145.010 -8.940 -5.546 714 H GLN 92 HN GLN 92 142.596 -8.001 -6.706 715 HA GLN 92 HA GLN 92 141.374 -7.247 -4.123 716 1HB GLN 92 HB2 GLN 92 141.574 -5.682 -6.716 717 2HB GLN 92 HB1 GLN 92 141.098 -5.038 -5.144 718 1HG GLN 92 HG2 GLN 92 143.709 -6.475 -5.298 719 2HG GLN 92 HG1 GLN 92 143.621 -4.871 -6.028 720 1HE2 GLN 92 HE22 GLN 92 143.780 -3.250 -2.916 721 2HE2 GLN 92 HE21 GLN 92 143.973 -3.165 -4.601 722 H GLU 93 HN GLU 93 139.141 -6.778 -3.894 723 HA GLU 93 HA GLU 93 137.416 -8.024 -5.987 724 1HB GLU 93 HB2 GLU 93 137.028 -7.559 -3.023 725 2HB GLU 93 HB1 GLU 93 135.703 -8.029 -4.087 726 1HG GLU 93 HG2 GLU 93 136.832 -10.075 -4.705 727 2HG GLU 93 HG1 GLU 93 138.296 -9.579 -3.854 728 H LEU 94 HN LEU 94 135.014 -6.916 -5.594 729 HA LEU 94 HA LEU 94 135.439 -3.962 -5.805 730 1HB LEU 94 HB2 LEU 94 135.022 -5.233 -8.012 731 2HB LEU 94 HB1 LEU 94 133.379 -5.473 -7.416 732 HG LEU 94 HG LEU 94 133.411 -2.900 -6.991 733 1HD1 LEU 94 HD12 LEU 94 135.956 -2.929 -7.571 734 2HD1 LEU 94 HD11 LEU 94 135.406 -2.956 -9.246 735 3HD1 LEU 94 HD13 LEU 94 134.964 -1.612 -8.194 736 1HD2 LEU 94 HD23 LEU 94 133.268 -4.237 -9.702 737 2HD2 LEU 94 HD22 LEU 94 131.934 -3.791 -8.637 738 3HD2 LEU 94 HD21 LEU 94 132.852 -2.539 -9.474 739 H VAL 95 HN VAL 95 134.489 -3.186 -3.969 740 HA VAL 95 HA VAL 95 131.860 -4.349 -3.151 741 HB VAL 95 HB VAL 95 133.761 -2.656 -1.501 742 1HG1 VAL 95 HG11 VAL 95 131.385 -2.600 -0.804 743 2HG1 VAL 95 HG13 VAL 95 131.370 -4.363 -0.740 744 3HG1 VAL 95 HG12 VAL 95 132.383 -3.447 0.378 745 1HG2 VAL 95 HG22 VAL 95 133.336 -5.663 -1.528 746 2HG2 VAL 95 HG21 VAL 95 134.778 -4.826 -2.106 747 3HG2 VAL 95 HG23 VAL 95 134.360 -4.783 -0.393 748 H ILE 96 HN ILE 96 130.077 -3.051 -3.228 749 HA ILE 96 HA ILE 96 130.473 -0.237 -4.121 750 HB ILE 96 HB ILE 96 127.910 -1.854 -4.056 751 1HG1 ILE 96 HG12 ILE 96 129.577 -2.951 -5.512 752 2HG1 ILE 96 HG11 ILE 96 128.288 -2.229 -6.471 753 1HG2 ILE 96 HG23 ILE 96 127.817 0.685 -4.150 754 2HG2 ILE 96 HG22 ILE 96 128.624 0.575 -5.714 755 3HG2 ILE 96 HG21 ILE 96 127.031 -0.149 -5.491 756 1HD1 ILE 96 HD11 ILE 96 130.981 -0.934 -5.935 757 2HD1 ILE 96 HD13 ILE 96 130.538 -1.764 -7.427 758 3HD1 ILE 96 HD12 ILE 96 129.700 -0.284 -6.958 759 H ALA 97 HN ALA 97 130.183 1.366 -2.660 760 HA ALA 97 HA ALA 97 128.777 0.713 -0.110 761 1HB ALA 97 HB1 ALA 97 130.913 2.701 -0.856 762 2HB ALA 97 HB3 ALA 97 129.925 2.951 0.584 763 3HB ALA 97 HB2 ALA 97 130.921 1.502 0.438 764 H GLY 98 HN GLY 98 128.756 2.854 -2.890 765 1HA GLY 98 HA2 GLY 98 126.139 3.520 -3.046 766 2HA GLY 98 HA1 GLY 98 126.663 4.576 -1.732 767 H GLY 99 HN GLY 99 127.201 6.775 -4.578 768 1HA GLY 99 HA2 GLY 99 125.570 6.169 -2.230 769 2HA GLY 99 HA1 GLY 99 125.282 7.468 -3.389 770 H ALA 100 HN ALA 100 123.015 6.877 -3.427 771 HA ALA 100 HA ALA 100 122.082 4.261 -4.151 772 1HB ALA 100 HB1 ALA 100 120.668 6.057 -3.114 773 2HB ALA 100 HB3 ALA 100 120.713 6.921 -4.650 774 3HB ALA 100 HB2 ALA 100 119.939 5.340 -4.551 775 H GLN 101 HN GLN 101 122.989 7.112 -6.045 776 HA GLN 101 HA GLN 101 122.048 6.168 -8.582 777 1HB GLN 101 HB2 GLN 101 122.816 8.533 -7.992 778 2HB GLN 101 HB1 GLN 101 124.468 7.935 -8.156 779 1HG GLN 101 HG2 GLN 101 123.663 7.038 -10.467 780 2HG GLN 101 HG1 GLN 101 122.335 8.181 -10.267 781 1HE2 GLN 101 HE22 GLN 101 124.365 10.772 -11.503 782 2HE2 GLN 101 HE21 GLN 101 122.851 10.002 -11.497 783 H ILE 102 HN ILE 102 124.972 5.548 -6.733 784 HA ILE 102 HA ILE 102 126.403 4.283 -8.929 785 HB ILE 102 HB ILE 102 126.858 3.988 -5.946 786 1HG1 ILE 102 HG12 ILE 102 126.858 6.366 -6.617 787 2HG1 ILE 102 HG11 ILE 102 128.485 5.830 -6.207 788 1HG2 ILE 102 HG21 ILE 102 128.464 3.360 -8.415 789 2HG2 ILE 102 HG23 ILE 102 129.271 3.696 -6.882 790 3HG2 ILE 102 HG22 ILE 102 128.150 2.340 -7.012 791 1HD1 ILE 102 HD12 ILE 102 128.943 5.472 -8.635 792 2HD1 ILE 102 HD11 ILE 102 127.343 6.115 -9.005 793 3HD1 ILE 102 HD13 ILE 102 128.560 7.153 -8.262 794 H PHE 103 HN PHE 103 124.341 3.177 -6.268 795 HA PHE 103 HA PHE 103 124.793 0.369 -6.614 796 1HB PHE 103 HB2 PHE 103 122.495 1.962 -5.466 797 2HB PHE 103 HB1 PHE 103 122.467 0.200 -5.525 798 HD1 PHE 103 HD1 PHE 103 125.129 -0.663 -4.904 799 HD2 PHE 103 HD2 PHE 103 122.961 2.681 -3.299 800 HE1 PHE 103 HE1 PHE 103 126.511 -0.754 -2.848 801 HE2 PHE 103 HE2 PHE 103 124.345 2.591 -1.244 802 HZ PHE 103 HZ PHE 103 126.119 0.872 -1.018 803 H THR 104 HN THR 104 122.469 2.618 -8.080 804 HA THR 104 HA THR 104 120.930 0.667 -9.496 805 HB THR 104 HB THR 104 121.495 3.461 -10.500 806 HG1 THR 104 HG1 THR 104 119.713 2.622 -8.460 807 1HG2 THR 104 HG21 THR 104 120.142 1.954 -11.918 808 2HG2 THR 104 HG23 THR 104 119.036 1.691 -10.569 809 3HG2 THR 104 HG22 THR 104 119.178 3.292 -11.295 810 H ALA 105 HN ALA 105 123.967 2.306 -10.246 811 HA ALA 105 HA ALA 105 124.124 1.478 -12.999 812 1HB ALA 105 HB3 ALA 105 126.296 2.214 -11.013 813 2HB ALA 105 HB2 ALA 105 126.564 1.983 -12.741 814 3HB ALA 105 HB1 ALA 105 125.525 3.293 -12.178 815 H PHE 106 HN PHE 106 125.270 0.044 -9.956 816 HA PHE 106 HA PHE 106 126.176 -2.358 -11.472 817 1HB PHE 106 HB2 PHE 106 126.644 -1.562 -8.581 818 2HB PHE 106 HB1 PHE 106 127.314 -2.990 -9.369 819 HD1 PHE 106 HD2 PHE 106 128.500 -2.436 -11.731 820 HD2 PHE 106 HD1 PHE 106 128.006 0.320 -8.474 821 HE1 PHE 106 HE2 PHE 106 130.385 -1.076 -12.597 822 HE2 PHE 106 HE1 PHE 106 129.891 1.680 -9.339 823 HZ PHE 106 HZ PHE 106 131.081 0.982 -11.401 824 H LYS 107 HN LYS 107 123.364 -1.855 -11.153 825 HA LYS 107 HA LYS 107 122.398 -3.544 -8.959 826 1HB LYS 107 HB2 LYS 107 121.145 -1.545 -9.910 827 2HB LYS 107 HB1 LYS 107 120.826 -2.528 -11.340 828 1HG LYS 107 HG2 LYS 107 119.517 -4.076 -10.132 829 2HG LYS 107 HG1 LYS 107 120.167 -3.547 -8.579 830 1HD LYS 107 HD2 LYS 107 118.833 -1.654 -8.506 831 2HD LYS 107 HD1 LYS 107 118.700 -1.552 -10.261 832 1HE LYS 107 HE2 LYS 107 116.556 -2.270 -9.410 833 2HE LYS 107 HE1 LYS 107 117.310 -3.655 -10.198 834 1HZ LYS 107 HZ3 LYS 107 118.089 -4.405 -8.028 835 2HZ LYS 107 HZ2 LYS 107 117.321 -3.085 -7.283 836 3HZ LYS 107 HZ1 LYS 107 116.398 -4.279 -8.063 837 H ASP 108 HN ASP 108 122.952 -3.837 -12.434 838 HA ASP 108 HA ASP 108 121.686 -6.454 -12.642 839 1HB ASP 108 HB2 ASP 108 123.377 -4.746 -14.451 840 2HB ASP 108 HB1 ASP 108 123.081 -6.435 -14.863 841 H ASP 109 HN ASP 109 124.914 -5.237 -11.980 842 HA ASP 109 HA ASP 109 125.967 -8.029 -11.981 843 1HB ASP 109 HB2 ASP 109 127.415 -5.362 -11.916 844 2HB ASP 109 HB1 ASP 109 128.205 -6.940 -11.904 845 H VAL 110 HN VAL 110 124.488 -8.038 -9.911 846 HA VAL 110 HA VAL 110 126.235 -7.329 -7.593 847 HB VAL 110 HB VAL 110 124.340 -5.751 -7.711 848 1HG1 VAL 110 HG13 VAL 110 122.835 -7.409 -8.926 849 2HG1 VAL 110 HG12 VAL 110 122.530 -8.150 -7.354 850 3HG1 VAL 110 HG11 VAL 110 122.059 -6.476 -7.646 851 1HG2 VAL 110 HG23 VAL 110 125.226 -6.889 -5.503 852 2HG2 VAL 110 HG22 VAL 110 123.781 -5.882 -5.450 853 3HG2 VAL 110 HG21 VAL 110 123.630 -7.639 -5.484 854 H ASP 111 HN ASP 111 126.437 -8.941 -6.053 855 HA ASP 111 HA ASP 111 124.701 -11.351 -6.313 856 1HB ASP 111 HB2 ASP 111 127.712 -11.225 -6.426 857 2HB ASP 111 HB1 ASP 111 126.890 -12.676 -5.850 858 H THR 112 HN THR 112 127.577 -10.481 -4.372 859 HA THR 112 HA THR 112 126.372 -11.499 -1.938 860 HB THR 112 HB THR 112 128.732 -9.617 -2.062 861 HG1 THR 112 HG1 THR 112 128.647 -12.402 -2.588 862 1HG2 THR 112 HG22 THR 112 127.717 -11.760 -0.210 863 2HG2 THR 112 HG21 THR 112 129.429 -11.333 -0.223 864 3HG2 THR 112 HG23 THR 112 128.218 -10.112 0.171 865 H LEU 113 HN LEU 113 124.554 -10.399 -1.273 866 HA LEU 113 HA LEU 113 124.574 -7.432 -1.286 867 1HB LEU 113 HB2 LEU 113 122.446 -9.533 -0.926 868 2HB LEU 113 HB1 LEU 113 122.153 -7.872 -0.413 869 HG LEU 113 HG LEU 113 123.181 -8.525 -3.177 870 1HD1 LEU 113 HD13 LEU 113 120.946 -9.657 -2.591 871 2HD1 LEU 113 HD12 LEU 113 120.281 -8.026 -2.485 872 3HD1 LEU 113 HD11 LEU 113 120.955 -8.608 -4.008 873 1HD2 LEU 113 HD22 LEU 113 123.215 -6.171 -2.024 874 2HD2 LEU 113 HD21 LEU 113 122.616 -6.301 -3.678 875 3HD2 LEU 113 HD23 LEU 113 121.479 -6.187 -2.336 876 H LEU 114 HN LEU 114 126.108 -7.157 0.458 877 HA LEU 114 HA LEU 114 125.475 -8.270 3.102 878 1HB LEU 114 HB2 LEU 114 127.560 -6.245 2.229 879 2HB LEU 114 HB1 LEU 114 127.450 -6.956 3.840 880 HG LEU 114 HG LEU 114 127.507 -8.846 1.541 881 1HD1 LEU 114 HD11 LEU 114 129.235 -7.086 1.013 882 2HD1 LEU 114 HD13 LEU 114 130.016 -7.474 2.545 883 3HD1 LEU 114 HD12 LEU 114 129.907 -8.695 1.277 884 1HD2 LEU 114 HD21 LEU 114 128.771 -8.730 4.296 885 2HD2 LEU 114 HD23 LEU 114 127.366 -9.686 3.823 886 3HD2 LEU 114 HD22 LEU 114 128.959 -10.078 3.174 887 H VAL 115 HN VAL 115 124.219 -7.254 4.602 888 HA VAL 115 HA VAL 115 123.914 -4.317 4.513 889 HB VAL 115 HB VAL 115 122.144 -5.163 3.012 890 1HG1 VAL 115 HG13 VAL 115 121.297 -6.748 5.454 891 2HG1 VAL 115 HG12 VAL 115 120.313 -6.553 4.002 892 3HG1 VAL 115 HG11 VAL 115 121.857 -7.401 3.914 893 1HG2 VAL 115 HG23 VAL 115 121.784 -3.197 4.600 894 2HG2 VAL 115 HG22 VAL 115 120.318 -3.974 4.006 895 3HG2 VAL 115 HG21 VAL 115 120.896 -4.314 5.637 896 H THR 116 HN THR 116 123.234 -3.449 6.523 897 HA THR 116 HA THR 116 123.304 -5.405 8.782 898 HB THR 116 HB THR 116 123.727 -2.420 8.999 899 HG1 THR 116 HG1 THR 116 125.964 -2.954 8.889 900 1HG2 THR 116 HG22 THR 116 123.267 -3.797 11.046 901 2HG2 THR 116 HG21 THR 116 124.718 -4.730 10.687 902 3HG2 THR 116 HG23 THR 116 124.846 -3.012 11.063 903 H ARG 117 HN ARG 117 121.213 -5.896 9.302 904 HA ARG 117 HA ARG 117 119.059 -3.936 9.014 905 1HB ARG 117 HB2 ARG 117 119.242 -6.793 9.935 906 2HB ARG 117 HB1 ARG 117 117.781 -5.858 10.253 907 1HG ARG 117 HG2 ARG 117 117.977 -5.235 7.701 908 2HG ARG 117 HG1 ARG 117 118.949 -6.704 7.621 909 1HD ARG 117 HD2 ARG 117 116.936 -7.726 9.004 910 2HD ARG 117 HD1 ARG 117 116.043 -6.389 8.278 911 HE ARG 117 HE ARG 117 117.456 -7.621 6.181 912 1HH1 ARG 117 HH11 ARG 117 114.982 -8.486 8.496 913 2HH1 ARG 117 HH12 ARG 117 114.262 -9.651 7.441 914 1HH2 ARG 117 HH21 ARG 117 116.492 -9.139 4.849 915 2HH2 ARG 117 HH22 ARG 117 115.105 -10.018 5.399 916 H LEU 118 HN LEU 118 118.622 -2.431 10.537 917 HA LEU 118 HA LEU 118 119.639 -2.855 13.303 918 1HB LEU 118 HB2 LEU 118 119.022 -0.483 11.614 919 2HB LEU 118 HB1 LEU 118 118.705 -0.323 13.341 920 HG LEU 118 HG LEU 118 121.062 -1.271 13.704 921 1HD1 LEU 118 HD11 LEU 118 121.145 -2.027 11.235 922 2HD1 LEU 118 HD13 LEU 118 121.496 -0.338 10.865 923 3HD1 LEU 118 HD12 LEU 118 122.591 -1.261 11.894 924 1HD2 LEU 118 HD22 LEU 118 120.590 1.416 12.383 925 2HD2 LEU 118 HD21 LEU 118 120.637 1.066 14.111 926 3HD2 LEU 118 HD23 LEU 118 122.114 0.973 13.151 927 H ALA 119 HN ALA 119 118.084 -1.782 15.010 928 HA ALA 119 HA ALA 119 115.325 -2.803 14.456 929 1HB ALA 119 HB3 ALA 119 116.828 -3.898 16.281 930 2HB ALA 119 HB2 ALA 119 116.476 -2.446 17.218 931 3HB ALA 119 HB1 ALA 119 115.161 -3.500 16.697 932 H GLY 120 HN GLY 120 117.233 -0.201 15.908 933 1HA GLY 120 HA2 GLY 120 115.035 1.339 16.916 934 2HA GLY 120 HA1 GLY 120 116.630 1.983 16.525 935 H SER 121 HN SER 121 113.784 2.933 15.930 936 HA SER 121 HA SER 121 113.690 2.857 12.985 937 1HB SER 121 HB2 SER 121 111.647 4.253 13.289 938 2HB SER 121 HB1 SER 121 111.578 2.754 14.211 939 HG SER 121 HG SER 121 111.610 5.344 15.062 940 H PHE 122 HN PHE 122 114.088 4.648 11.652 941 HA PHE 122 HA PHE 122 114.921 7.200 12.898 942 1HB PHE 122 HB2 PHE 122 116.735 5.653 11.022 943 2HB PHE 122 HB1 PHE 122 117.068 7.235 11.727 944 HD1 PHE 122 HD1 PHE 122 117.431 7.467 14.179 945 HD2 PHE 122 HD2 PHE 122 116.989 3.629 12.301 946 HE1 PHE 122 HE1 PHE 122 118.374 6.372 16.195 947 HE2 PHE 122 HE2 PHE 122 117.933 2.534 14.316 948 HZ PHE 122 HZ PHE 122 118.625 3.906 16.264 949 H GLU 123 HN GLU 123 114.366 8.919 11.603 950 HA GLU 123 HA GLU 123 113.255 8.265 8.911 951 1HB GLU 123 HB2 GLU 123 112.088 10.475 9.140 952 2HB GLU 123 HB1 GLU 123 111.641 9.318 10.394 953 1HG GLU 123 HG2 GLU 123 112.976 10.397 12.027 954 2HG GLU 123 HG1 GLU 123 113.876 11.304 10.810 955 H GLY 124 HN GLY 124 113.953 9.436 7.094 956 1HA GLY 124 HA2 GLY 124 115.795 11.680 7.326 957 2HA GLY 124 HA1 GLY 124 116.598 10.194 6.820 958 H ASP 125 HN ASP 125 117.039 10.934 4.704 959 HA ASP 125 HA ASP 125 114.625 11.164 2.952 960 1HB ASP 125 HB2 ASP 125 117.188 12.775 2.876 961 2HB ASP 125 HB1 ASP 125 116.058 12.710 1.523 962 H THR 126 HN THR 126 118.101 10.380 3.099 963 HA THR 126 HA THR 126 118.132 9.051 0.525 964 HB THR 126 HB THR 126 120.090 8.395 2.703 965 HG1 THR 126 HG1 THR 126 120.844 10.363 2.742 966 1HG2 THR 126 HG21 THR 126 120.024 7.628 0.166 967 2HG2 THR 126 HG23 THR 126 120.752 9.213 -0.098 968 3HG2 THR 126 HG22 THR 126 121.553 8.035 0.943 969 H LYS 127 HN LYS 127 117.199 7.117 0.113 970 HA LYS 127 HA LYS 127 117.031 5.128 2.343 971 1HB LYS 127 HB2 LYS 127 114.975 5.817 0.229 972 2HB LYS 127 HB1 LYS 127 114.898 4.345 1.197 973 1HG LYS 127 HG2 LYS 127 114.869 5.694 3.260 974 2HG LYS 127 HG1 LYS 127 114.957 7.170 2.299 975 1HD LYS 127 HD2 LYS 127 112.661 7.002 2.647 976 2HD LYS 127 HD1 LYS 127 112.833 6.162 1.105 977 1HE LYS 127 HE2 LYS 127 113.218 4.056 2.657 978 2HE LYS 127 HE1 LYS 127 112.336 5.029 3.834 979 1HZ LYS 127 HZ2 LYS 127 110.562 5.306 2.202 980 2HZ LYS 127 HZ1 LYS 127 111.405 4.319 1.105 981 3HZ LYS 127 HZ3 LYS 127 110.825 3.666 2.559 982 H MET 128 HN MET 128 116.924 2.854 1.545 983 HA MET 128 HA MET 128 118.872 2.434 -0.596 984 1HB MET 128 HB2 MET 128 118.734 1.047 1.521 985 2HB MET 128 HB1 MET 128 117.249 0.344 0.881 986 1HG MET 128 HG2 MET 128 119.037 -1.143 0.273 987 2HG MET 128 HG1 MET 128 118.567 -0.285 -1.194 988 1HE MET 128 HE1 MET 128 120.727 -1.797 -1.236 989 2HE MET 128 HE3 MET 128 121.367 -0.649 -2.420 990 3HE MET 128 HE2 MET 128 122.358 -1.158 -1.054 991 H ILE 129 HN ILE 129 118.454 1.307 -2.566 992 HA ILE 129 HA ILE 129 115.897 1.881 -3.779 993 HB ILE 129 HB ILE 129 116.812 0.563 -5.704 994 1HG1 ILE 129 HG12 ILE 129 119.389 0.312 -4.184 995 2HG1 ILE 129 HG11 ILE 129 118.144 -0.917 -3.959 996 1HG2 ILE 129 HG23 ILE 129 117.375 3.012 -5.193 997 2HG2 ILE 129 HG22 ILE 129 118.916 2.418 -4.573 998 3HG2 ILE 129 HG21 ILE 129 118.489 2.162 -6.265 999 1HD1 ILE 129 HD13 ILE 129 118.049 -0.985 -6.554 1000 2HD1 ILE 129 HD12 ILE 129 119.611 -0.166 -6.483 1001 3HD1 ILE 129 HD11 ILE 129 119.415 -1.761 -5.754 1002 HA PRO 130 HA PRO 130 113.689 -1.891 -2.955 1003 1HB PRO 130 HB2 PRO 130 112.284 -2.098 -5.372 1004 2HB PRO 130 HB1 PRO 130 111.795 -1.146 -3.965 1005 1HG PRO 130 HG2 PRO 130 112.651 -0.202 -6.527 1006 2HG PRO 130 HG1 PRO 130 112.143 0.746 -5.123 1007 1HD PRO 130 HD2 PRO 130 114.843 0.241 -6.120 1008 2HD PRO 130 HD1 PRO 130 114.293 1.438 -4.937 1009 H LEU 131 HN LEU 131 115.097 -3.642 -2.935 1010 HA LEU 131 HA LEU 131 116.024 -4.754 -5.533 1011 1HB LEU 131 HB2 LEU 131 116.838 -5.222 -2.659 1012 2HB LEU 131 HB1 LEU 131 117.381 -6.273 -3.967 1013 HG LEU 131 HG LEU 131 117.678 -3.324 -4.341 1014 1HD1 LEU 131 HD13 LEU 131 118.480 -3.948 -1.988 1015 2HD1 LEU 131 HD12 LEU 131 119.705 -4.937 -2.780 1016 3HD1 LEU 131 HD11 LEU 131 119.674 -3.193 -3.042 1017 1HD2 LEU 131 HD22 LEU 131 118.276 -4.971 -6.106 1018 2HD2 LEU 131 HD21 LEU 131 119.685 -4.067 -5.553 1019 3HD2 LEU 131 HD23 LEU 131 119.425 -5.721 -4.998 1020 H ASN 132 HN ASN 132 115.716 -7.036 -5.979 1021 HA ASN 132 HA ASN 132 113.126 -8.029 -4.966 1022 1HB ASN 132 HB2 ASN 132 114.080 -8.058 -7.448 1023 2HB ASN 132 HB1 ASN 132 114.807 -9.571 -6.906 1024 1HD2 ASN 132 HD22 ASN 132 111.725 -11.070 -7.825 1025 2HD2 ASN 132 HD21 ASN 132 113.376 -10.919 -8.189 1026 H TRP 133 HN TRP 133 113.542 -8.798 -2.880 1027 HA TRP 133 HA TRP 133 115.843 -10.426 -2.225 1028 1HB TRP 133 HB2 TRP 133 113.200 -10.125 -0.766 1029 2HB TRP 133 HB1 TRP 133 114.673 -10.821 -0.093 1030 HD1 TRP 133 HD1 TRP 133 113.009 -7.539 -0.890 1031 HE1 TRP 133 HE1 TRP 133 114.491 -5.598 -0.061 1032 HE3 TRP 133 HE3 TRP 133 117.252 -10.117 0.303 1033 HZ2 TRP 133 HZ2 TRP 133 117.129 -5.195 0.972 1034 HZ3 TRP 133 HZ3 TRP 133 119.232 -8.933 1.205 1035 HH2 TRP 133 HH2 TRP 133 119.176 -6.476 1.541 1036 H ASP 134 HN ASP 134 112.669 -11.101 -3.526 1037 HA ASP 134 HA ASP 134 112.383 -13.829 -2.800 1038 1HB ASP 134 HB2 ASP 134 111.557 -12.516 -5.407 1039 2HB ASP 134 HB1 ASP 134 110.898 -14.008 -4.738 1040 H ASP 135 HN ASP 135 114.447 -12.302 -5.185 1041 HA ASP 135 HA ASP 135 115.201 -14.950 -6.307 1042 1HB ASP 135 HB2 ASP 135 115.507 -12.106 -7.187 1043 2HB ASP 135 HB1 ASP 135 116.702 -13.279 -7.740 1044 H PHE 136 HN PHE 136 115.934 -14.184 -3.570 1045 HA PHE 136 HA PHE 136 118.867 -14.529 -3.843 1046 1HB PHE 136 HB2 PHE 136 117.482 -12.260 -2.435 1047 2HB PHE 136 HB1 PHE 136 119.035 -12.849 -1.840 1048 HD1 PHE 136 HD1 PHE 136 117.301 -11.543 -4.873 1049 HD2 PHE 136 HD2 PHE 136 121.060 -12.276 -2.930 1050 HE1 PHE 136 HE1 PHE 136 118.467 -10.263 -6.646 1051 HE2 PHE 136 HE2 PHE 136 122.227 -10.995 -4.705 1052 HZ PHE 136 HZ PHE 136 120.930 -9.989 -6.563 1053 H THR 137 HN THR 137 119.778 -14.933 -1.500 1054 HA THR 137 HA THR 137 117.819 -16.218 0.299 1055 HB THR 137 HB THR 137 120.173 -17.801 -0.759 1056 HG1 THR 137 HG1 THR 137 118.767 -18.777 -2.128 1057 1HG2 THR 137 HG23 THR 137 117.776 -18.398 0.977 1058 2HG2 THR 137 HG22 THR 137 118.695 -19.677 0.183 1059 3HG2 THR 137 HG21 THR 137 119.483 -18.623 1.359 1060 H LYS 138 HN LYS 138 118.666 -16.507 2.427 1061 HA LYS 138 HA LYS 138 121.018 -14.812 2.999 1062 1HB LYS 138 HB2 LYS 138 118.749 -14.810 4.286 1063 2HB LYS 138 HB1 LYS 138 119.382 -16.255 5.075 1064 1HG LYS 138 HG2 LYS 138 121.225 -15.081 5.996 1065 2HG LYS 138 HG1 LYS 138 120.998 -13.710 4.911 1066 1HD LYS 138 HD2 LYS 138 120.034 -12.862 6.840 1067 2HD LYS 138 HD1 LYS 138 118.622 -13.602 6.087 1068 1HE LYS 138 HE2 LYS 138 118.703 -15.487 7.506 1069 2HE LYS 138 HE1 LYS 138 120.374 -15.170 7.974 1070 1HZ LYS 138 HZ1 LYS 138 118.100 -13.380 8.632 1071 2HZ LYS 138 HZ3 LYS 138 118.706 -14.563 9.685 1072 3HZ LYS 138 HZ2 LYS 138 119.695 -13.266 9.207 1073 H VAL 139 HN VAL 139 122.958 -15.604 3.759 1074 HA VAL 139 HA VAL 139 123.181 -18.579 3.995 1075 HB VAL 139 HB VAL 139 125.366 -16.595 3.299 1076 1HG1 VAL 139 HG12 VAL 139 126.020 -18.789 4.367 1077 2HG1 VAL 139 HG11 VAL 139 125.274 -19.609 2.994 1078 3HG1 VAL 139 HG13 VAL 139 126.666 -18.554 2.743 1079 1HG2 VAL 139 HG22 VAL 139 123.620 -16.690 1.546 1080 2HG2 VAL 139 HG21 VAL 139 125.117 -17.439 0.993 1081 3HG2 VAL 139 HG23 VAL 139 123.764 -18.448 1.505 1082 H SER 140 HN SER 140 124.967 -15.678 5.118 1083 HA SER 140 HA SER 140 125.277 -17.038 7.762 1084 1HB SER 140 HB2 SER 140 126.895 -14.684 6.780 1085 2HB SER 140 HB1 SER 140 127.285 -15.806 8.079 1086 HG SER 140 HG SER 140 127.734 -17.359 6.610 1087 H SER 141 HN SER 141 125.249 -15.521 9.663 1088 HA SER 141 HA SER 141 124.036 -12.903 9.401 1089 1HB SER 141 HB2 SER 141 122.135 -14.637 8.987 1090 2HB SER 141 HB1 SER 141 122.250 -14.942 10.716 1091 HG SER 141 HG SER 141 121.256 -13.129 11.047 1092 H ARG 142 HN ARG 142 124.340 -11.759 11.297 1093 HA ARG 142 HA ARG 142 125.010 -13.294 13.765 1094 1HB ARG 142 HB2 ARG 142 127.075 -12.491 12.434 1095 2HB ARG 142 HB1 ARG 142 126.598 -10.865 12.927 1096 1HG ARG 142 HG2 ARG 142 126.503 -11.839 15.325 1097 2HG ARG 142 HG1 ARG 142 127.440 -13.181 14.666 1098 1HD ARG 142 HD2 ARG 142 129.062 -11.434 13.761 1099 2HD ARG 142 HD1 ARG 142 128.209 -10.257 14.760 1100 HE ARG 142 HE ARG 142 129.285 -11.166 16.642 1101 1HH1 ARG 142 HH11 ARG 142 129.403 -13.442 13.987 1102 2HH1 ARG 142 HH12 ARG 142 130.420 -14.544 14.846 1103 1HH2 ARG 142 HH21 ARG 142 130.602 -12.622 17.715 1104 2HH2 ARG 142 HH22 ARG 142 131.093 -14.088 16.934 1105 H THR 143 HN THR 143 123.791 -12.541 15.417 1106 HA THR 143 HA THR 143 122.492 -9.884 15.142 1107 HB THR 143 HB THR 143 121.981 -11.944 17.296 1108 HG1 THR 143 HG1 THR 143 120.455 -12.818 15.947 1109 1HG2 THR 143 HG21 THR 143 121.118 -9.551 17.465 1110 2HG2 THR 143 HG23 THR 143 120.123 -9.908 16.054 1111 3HG2 THR 143 HG22 THR 143 119.890 -10.815 17.548 1112 H VAL 144 HN VAL 144 123.012 -8.190 16.476 1113 HA VAL 144 HA VAL 144 124.753 -8.729 18.836 1114 HB VAL 144 HB VAL 144 125.232 -6.505 16.829 1115 1HG1 VAL 144 HG13 VAL 144 126.756 -7.482 19.264 1116 2HG1 VAL 144 HG12 VAL 144 127.379 -6.301 18.111 1117 3HG1 VAL 144 HG11 VAL 144 125.953 -5.923 19.078 1118 1HG2 VAL 144 HG22 VAL 144 126.677 -9.138 17.267 1119 2HG2 VAL 144 HG21 VAL 144 125.787 -8.659 15.821 1120 3HG2 VAL 144 HG23 VAL 144 127.280 -7.825 16.255 1121 H GLU 145 HN GLU 145 123.849 -7.805 20.597 1122 HA GLU 145 HA GLU 145 121.891 -5.592 20.193 1123 1HB GLU 145 HB2 GLU 145 122.313 -7.591 22.424 1124 2HB GLU 145 HB1 GLU 145 121.274 -6.178 22.612 1125 1HG GLU 145 HG2 GLU 145 120.030 -6.919 20.545 1126 2HG GLU 145 HG1 GLU 145 120.968 -8.412 20.591 1127 H ASP 146 HN ASP 146 122.211 -3.607 21.181 1128 HA ASP 146 HA ASP 146 124.870 -3.207 22.468 1129 1HB ASP 146 HB2 ASP 146 123.749 -1.834 20.409 1130 2HB ASP 146 HB1 ASP 146 123.188 -0.861 21.770 1131 H THR 147 HN THR 147 124.349 -0.850 23.855 1132 HA THR 147 HA THR 147 123.220 -1.812 26.296 1133 HB THR 147 HB THR 147 123.321 0.578 27.014 1134 HG1 THR 147 HG1 THR 147 122.943 1.840 25.356 1135 1HG2 THR 147 HG23 THR 147 125.334 -0.896 27.043 1136 2HG2 THR 147 HG22 THR 147 125.746 -0.314 25.430 1137 3HG2 THR 147 HG21 THR 147 125.738 0.804 26.795 1138 H ASN 148 HN ASN 148 121.814 -0.153 23.542 1139 HA ASN 148 HA ASN 148 119.169 -0.209 24.942 1140 1HB ASN 148 HB2 ASN 148 120.203 1.724 22.845 1141 2HB ASN 148 HB1 ASN 148 118.529 1.671 23.402 1142 1HD2 ASN 148 HD22 ASN 148 121.028 3.886 25.493 1143 2HD2 ASN 148 HD21 ASN 148 121.185 3.492 23.850 1144 HA PRO 149 HA PRO 149 117.654 -2.702 21.583 1145 1HB PRO 149 HB2 PRO 149 115.033 -1.721 21.462 1146 2HB PRO 149 HB1 PRO 149 115.619 -2.986 22.550 1147 1HG PRO 149 HG2 PRO 149 114.748 -0.342 23.219 1148 2HG PRO 149 HG1 PRO 149 115.315 -1.618 24.305 1149 1HD PRO 149 HD2 PRO 149 116.736 0.752 23.351 1150 2HD PRO 149 HD1 PRO 149 117.153 -0.345 24.678 1151 H ALA 150 HN ALA 150 117.173 0.775 21.353 1152 HA ALA 150 HA ALA 150 116.365 0.797 18.571 1153 1HB ALA 150 HB3 ALA 150 117.524 2.938 20.375 1154 2HB ALA 150 HB2 ALA 150 116.985 3.242 18.723 1155 3HB ALA 150 HB1 ALA 150 115.829 2.709 19.944 1156 H LEU 151 HN LEU 151 119.442 0.666 20.235 1157 HA LEU 151 HA LEU 151 120.906 1.248 17.717 1158 1HB LEU 151 HB2 LEU 151 121.690 1.030 20.616 1159 2HB LEU 151 HB1 LEU 151 122.915 0.906 19.352 1160 HG LEU 151 HG LEU 151 120.935 3.179 19.376 1161 1HD1 LEU 151 HD13 LEU 151 122.178 3.035 21.578 1162 2HD1 LEU 151 HD12 LEU 151 123.677 3.217 20.667 1163 3HD1 LEU 151 HD11 LEU 151 122.479 4.512 20.662 1164 1HD2 LEU 151 HD23 LEU 151 122.383 2.614 17.361 1165 2HD2 LEU 151 HD22 LEU 151 122.579 4.252 17.986 1166 3HD2 LEU 151 HD21 LEU 151 123.783 3.018 18.354 1167 H THR 152 HN THR 152 119.330 -1.218 18.026 1168 HA THR 152 HA THR 152 121.358 -3.343 18.359 1169 HB THR 152 HB THR 152 118.471 -3.652 17.501 1170 HG1 THR 152 HG1 THR 152 117.964 -3.771 19.635 1171 1HG2 THR 152 HG23 THR 152 120.643 -5.457 18.523 1172 2HG2 THR 152 HG22 THR 152 118.954 -5.860 18.834 1173 3HG2 THR 152 HG21 THR 152 119.533 -5.704 17.175 1174 H HIS 153 HN HIS 153 122.141 -4.596 16.647 1175 HA HIS 153 HA HIS 153 121.150 -4.002 13.909 1176 1HB HIS 153 HB2 HIS 153 123.517 -3.763 13.115 1177 2HB HIS 153 HB1 HIS 153 123.006 -2.457 14.183 1178 HD1 HIS 153 HD1 HIS 153 123.615 -2.997 16.860 1179 HD2 HIS 153 HD2 HIS 153 125.892 -4.902 13.933 1180 HE1 HIS 153 HE1 HIS 153 125.741 -3.771 17.998 1181 H THR 154 HN THR 154 121.717 -5.667 12.369 1182 HA THR 154 HA THR 154 122.911 -8.141 13.515 1183 HB THR 154 HB THR 154 120.335 -8.131 11.920 1184 HG1 THR 154 HG1 THR 154 119.497 -7.580 13.756 1185 1HG2 THR 154 HG21 THR 154 122.087 -10.135 12.112 1186 2HG2 THR 154 HG23 THR 154 121.260 -10.379 13.650 1187 3HG2 THR 154 HG22 THR 154 120.348 -10.425 12.141 1188 H TYR 155 HN TYR 155 124.665 -8.343 12.191 1189 HA TYR 155 HA TYR 155 124.782 -7.411 9.481 1190 1HB TYR 155 HB2 TYR 155 126.475 -9.475 10.923 1191 2HB TYR 155 HB1 TYR 155 126.871 -8.767 9.357 1192 HD1 TYR 155 HD2 TYR 155 126.615 -6.058 9.360 1193 HD2 TYR 155 HD1 TYR 155 127.504 -8.511 12.772 1194 HE1 TYR 155 HE2 TYR 155 127.635 -4.105 10.499 1195 HE2 TYR 155 HE1 TYR 155 128.523 -6.558 13.911 1196 HH TYR 155 HH TYR 155 128.030 -3.689 13.433 1197 H GLU 156 HN GLU 156 123.605 -8.265 7.846 1198 HA GLU 156 HA GLU 156 123.090 -11.212 7.863 1199 1HB GLU 156 HB2 GLU 156 121.523 -8.950 6.586 1200 2HB GLU 156 HB1 GLU 156 121.155 -10.662 6.372 1201 1HG GLU 156 HG2 GLU 156 121.131 -10.739 8.978 1202 2HG GLU 156 HG1 GLU 156 120.948 -8.988 8.866 1203 H VAL 157 HN VAL 157 124.046 -12.365 6.261 1204 HA VAL 157 HA VAL 157 125.283 -10.858 4.000 1205 HB VAL 157 HB VAL 157 125.871 -13.680 4.944 1206 1HG1 VAL 157 HG12 VAL 157 126.388 -12.879 2.525 1207 2HG1 VAL 157 HG11 VAL 157 127.632 -11.885 3.281 1208 3HG1 VAL 157 HG13 VAL 157 127.688 -13.640 3.443 1209 1HG2 VAL 157 HG21 VAL 157 127.309 -11.066 5.507 1210 2HG2 VAL 157 HG23 VAL 157 126.448 -12.052 6.688 1211 3HG2 VAL 157 HG22 VAL 157 127.918 -12.664 5.931 1212 H TRP 158 HN TRP 158 123.673 -10.790 2.446 1213 HA TRP 158 HA TRP 158 122.136 -13.248 1.840 1214 1HB TRP 158 HB2 TRP 158 121.966 -10.405 0.805 1215 2HB TRP 158 HB1 TRP 158 120.957 -11.720 0.203 1216 HD1 TRP 158 HD1 TRP 158 121.749 -9.869 3.490 1217 HE1 TRP 158 HE1 TRP 158 119.682 -10.024 5.024 1218 HE3 TRP 158 HE3 TRP 158 118.779 -12.913 0.663 1219 HZ2 TRP 158 HZ2 TRP 158 117.110 -11.274 5.048 1220 HZ3 TRP 158 HZ3 TRP 158 116.528 -13.570 1.464 1221 HH2 TRP 158 HH2 TRP 158 115.690 -12.756 3.651 1222 H GLN 159 HN GLN 159 122.371 -14.395 -0.083 1223 HA GLN 159 HA GLN 159 124.403 -13.414 -2.033 1224 1HB GLN 159 HB2 GLN 159 124.410 -15.965 -0.469 1225 2HB GLN 159 HB1 GLN 159 124.970 -16.019 -2.140 1226 1HG GLN 159 HG2 GLN 159 125.993 -13.825 -0.383 1227 2HG GLN 159 HG1 GLN 159 126.648 -15.447 -0.155 1228 1HE2 GLN 159 HE22 GLN 159 128.125 -15.543 -3.464 1229 2HE2 GLN 159 HE21 GLN 159 127.354 -16.546 -2.332 1230 H LYS 160 HN LYS 160 123.967 -14.004 -4.177 1231 HA LYS 160 HA LYS 160 121.213 -14.761 -4.758 1232 1HB LYS 160 HB2 LYS 160 122.909 -13.191 -6.077 1233 2HB LYS 160 HB1 LYS 160 123.322 -14.707 -6.881 1234 1HG LYS 160 HG2 LYS 160 120.944 -15.063 -7.438 1235 2HG LYS 160 HG1 LYS 160 120.530 -13.547 -6.636 1236 1HD LYS 160 HD2 LYS 160 120.718 -12.825 -8.836 1237 2HD LYS 160 HD1 LYS 160 122.364 -12.553 -8.263 1238 1HE LYS 160 HE2 LYS 160 123.211 -14.402 -9.393 1239 2HE LYS 160 HE1 LYS 160 121.652 -15.225 -9.424 1240 1HZ LYS 160 HZ2 LYS 160 120.877 -13.464 -10.966 1241 2HZ LYS 160 HZ1 LYS 160 122.468 -12.870 -11.035 1242 3HZ LYS 160 HZ3 LYS 160 122.121 -14.431 -11.603 1243 H LYS 161 HN LYS 161 120.516 -16.698 -5.742 1244 HA LYS 161 HA LYS 161 122.104 -19.060 -5.115 1245 1HB LYS 161 HB2 LYS 161 119.510 -18.815 -6.671 1246 2HB LYS 161 HB1 LYS 161 120.191 -20.307 -6.021 1247 1HG LYS 161 HG2 LYS 161 119.661 -19.765 -3.842 1248 2HG LYS 161 HG1 LYS 161 119.795 -18.030 -4.131 1249 1HD LYS 161 HD2 LYS 161 117.590 -19.679 -5.372 1250 2HD LYS 161 HD1 LYS 161 117.425 -18.963 -3.769 1251 1HE LYS 161 HE2 LYS 161 117.390 -16.801 -4.584 1252 2HE LYS 161 HE1 LYS 161 118.373 -17.205 -5.991 1253 1HZ LYS 161 HZ3 LYS 161 116.426 -18.499 -6.814 1254 2HZ LYS 161 HZ2 LYS 161 115.508 -17.827 -5.551 1255 3HZ LYS 161 HZ1 LYS 161 116.177 -16.823 -6.747 1256 H ALA 162 HN ALA 162 120.909 -17.580 -8.146 1257 HA ALA 162 HA ALA 162 121.712 -17.746 -10.343 1258 1HB ALA 162 HB2 ALA 162 123.836 -17.033 -9.071 1259 2HB ALA 162 HB1 ALA 162 124.312 -18.730 -9.158 1260 3HB ALA 162 HB3 ALA 162 124.068 -17.805 -10.640 1261 1HN2 MTX 170 1HN2 MTX 170 128.703 -1.517 8.155 1262 2HN2 MTX 170 2HN2 MTX 170 128.701 -2.098 6.561 1263 1HN4 MTX 170 1HN4 MTX 170 128.916 0.860 2.882 1264 2HN4 MTX 170 2HN4 MTX 170 128.997 2.535 3.141 1265 H7 MTX 170 H7 MTX 170 129.056 5.436 8.271 1266 1H9 MTX 170 H91 MTX 170 128.154 6.612 5.381 1267 2H9 MTX 170 H92 MTX 170 129.798 6.305 4.804 1268 1HM MTX 170 HM1 MTX 170 128.145 8.566 6.181 1269 2HM MTX 170 HM2 MTX 170 129.557 9.261 7.030 1270 3HM MTX 170 HM3 MTX 170 128.386 8.247 7.925 1271 H12 MTX 170 H13 MTX 170 132.594 7.625 10.201 1272 H13 MTX 170 H12 MTX 170 130.384 8.018 9.111 1273 H15 MTX 170 H16 MTX 170 131.767 5.923 5.574 1274 H16 MTX 170 H15 MTX 170 133.973 5.536 6.674 1275 HN MTX 170 HN MTX 170 134.804 4.437 8.352 1276 HA MTX 170 HA MTX 170 137.188 5.674 9.417 1277 1HB MTX 170 HB1 MTX 170 136.152 3.372 11.101 1278 2HB MTX 170 HB2 MTX 170 135.551 4.991 11.419 1279 1HG MTX 170 HG1 MTX 170 137.460 5.030 12.782 1280 2HG MTX 170 HG2 MTX 170 138.199 5.585 11.283 1281 HN1 MTX 170 H1N MTX 170 128.813 0.758 8.586 No H/Q in entry = 1281 Start of MODEL 19 1 1H THR 1 HT2 THR 1 132.690 -8.004 -6.661 2 2H THR 1 HT1 THR 1 131.689 -8.527 -7.932 3 3H THR 1 HT3 THR 1 132.808 -7.280 -8.194 4 HA THR 1 HA THR 1 131.609 -5.748 -6.922 5 HB THR 1 HB THR 1 129.318 -7.267 -8.109 6 HG1 THR 1 HG1 THR 1 130.549 -7.645 -9.775 7 1HG2 THR 1 HG23 THR 1 130.274 -4.429 -7.906 8 2HG2 THR 1 HG22 THR 1 129.131 -4.877 -9.173 9 3HG2 THR 1 HG21 THR 1 128.704 -5.106 -7.477 10 H ALA 2 HN ALA 2 130.835 -5.467 -4.895 11 HA ALA 2 HA ALA 2 129.020 -7.521 -3.739 12 1HB ALA 2 HB2 ALA 2 131.564 -6.487 -2.453 13 2HB ALA 2 HB1 ALA 2 130.314 -7.374 -1.580 14 3HB ALA 2 HB3 ALA 2 131.198 -8.156 -2.891 15 H PHE 3 HN PHE 3 127.251 -6.463 -3.021 16 HA PHE 3 HA PHE 3 127.287 -3.561 -2.640 17 1HB PHE 3 HB2 PHE 3 125.214 -5.718 -2.635 18 2HB PHE 3 HB1 PHE 3 124.839 -4.209 -1.807 19 HD1 PHE 3 HD2 PHE 3 126.784 -4.947 -4.938 20 HD2 PHE 3 HD1 PHE 3 123.438 -2.928 -3.154 21 HE1 PHE 3 HE2 PHE 3 126.276 -3.867 -7.111 22 HE2 PHE 3 HE1 PHE 3 122.928 -1.851 -5.327 23 HZ PHE 3 HZ PHE 3 124.346 -2.320 -7.306 24 H LEU 4 HN LEU 4 127.102 -2.475 -0.665 25 HA LEU 4 HA LEU 4 126.785 -3.995 1.835 26 1HB LEU 4 HB2 LEU 4 129.226 -4.164 1.291 27 2HB LEU 4 HB1 LEU 4 129.315 -2.402 1.324 28 HG LEU 4 HG LEU 4 128.248 -2.625 3.690 29 1HD1 LEU 4 HD11 LEU 4 129.140 -5.432 3.059 30 2HD1 LEU 4 HD13 LEU 4 129.162 -4.840 4.721 31 3HD1 LEU 4 HD12 LEU 4 127.645 -4.892 3.823 32 1HD2 LEU 4 HD22 LEU 4 131.093 -3.546 3.158 33 2HD2 LEU 4 HD21 LEU 4 130.560 -1.867 3.254 34 3HD2 LEU 4 HD23 LEU 4 130.496 -2.897 4.685 35 H TRP 5 HN TRP 5 125.263 -2.744 2.818 36 HA TRP 5 HA TRP 5 125.852 0.100 3.270 37 1HB TRP 5 HB2 TRP 5 123.784 0.937 2.321 38 2HB TRP 5 HB1 TRP 5 124.635 0.029 1.076 39 HD1 TRP 5 HD1 TRP 5 121.356 0.340 2.671 40 HE1 TRP 5 HE1 TRP 5 119.828 -1.642 2.063 41 HE3 TRP 5 HE3 TRP 5 124.800 -2.859 0.655 42 HZ2 TRP 5 HZ2 TRP 5 120.032 -4.234 0.883 43 HZ3 TRP 5 HZ3 TRP 5 124.100 -5.078 -0.195 44 HH2 TRP 5 HH2 TRP 5 121.722 -5.767 -0.087 45 H ALA 6 HN ALA 6 124.454 1.027 4.945 46 HA ALA 6 HA ALA 6 123.293 -1.097 6.700 47 1HB ALA 6 HB1 ALA 6 125.240 0.316 7.549 48 2HB ALA 6 HB3 ALA 6 124.133 1.690 7.534 49 3HB ALA 6 HB2 ALA 6 123.805 0.305 8.575 50 H GLN 7 HN GLN 7 121.161 -0.948 7.293 51 HA GLN 7 HA GLN 7 119.688 1.580 6.893 52 1HB GLN 7 HB2 GLN 7 117.919 0.405 5.558 53 2HB GLN 7 HB1 GLN 7 119.457 0.537 4.707 54 1HG GLN 7 HG2 GLN 7 119.999 -1.738 5.102 55 2HG GLN 7 HG1 GLN 7 118.762 -1.899 6.350 56 1HE2 GLN 7 HE22 GLN 7 116.078 -1.872 3.826 57 2HE2 GLN 7 HE21 GLN 7 116.443 -1.077 5.282 58 H ASP 8 HN ASP 8 117.431 1.374 7.796 59 HA ASP 8 HA ASP 8 117.434 -0.570 10.064 60 1HB ASP 8 HB2 ASP 8 115.896 1.045 11.176 61 2HB ASP 8 HB1 ASP 8 117.458 1.765 10.789 62 H ARG 9 HN ARG 9 114.824 -0.590 10.798 63 HA ARG 9 HA ARG 9 113.599 -2.328 8.893 64 1HB ARG 9 HB2 ARG 9 111.548 -2.044 10.329 65 2HB ARG 9 HB1 ARG 9 112.995 -2.501 11.226 66 1HG ARG 9 HG2 ARG 9 113.253 -0.373 12.157 67 2HG ARG 9 HG1 ARG 9 112.320 0.407 10.880 68 1HD ARG 9 HD2 ARG 9 110.272 -0.242 11.793 69 2HD ARG 9 HD1 ARG 9 110.981 -1.596 12.673 70 HE ARG 9 HE ARG 9 112.127 0.732 13.759 71 1HH1 ARG 9 HH21 ARG 9 108.942 -0.675 13.432 72 2HH1 ARG 9 HH22 ARG 9 108.355 0.071 14.877 73 1HH2 ARG 9 HH11 ARG 9 111.326 1.677 15.621 74 2HH2 ARG 9 HH12 ARG 9 109.688 1.388 16.105 75 H ASP 10 HN ASP 10 113.445 1.149 9.324 76 HA ASP 10 HA ASP 10 111.069 1.537 7.698 77 1HB ASP 10 HB2 ASP 10 113.291 3.487 8.388 78 2HB ASP 10 HB1 ASP 10 111.714 3.913 7.723 79 H GLY 11 HN GLY 11 114.575 1.700 7.088 80 1HA GLY 11 HA2 GLY 11 115.355 0.828 4.884 81 2HA GLY 11 HA1 GLY 11 113.952 1.616 4.162 82 H LEU 12 HN LEU 12 115.959 3.076 6.668 83 HA LEU 12 HA LEU 12 116.620 5.260 4.759 84 1HB LEU 12 HB2 LEU 12 115.557 5.659 7.083 85 2HB LEU 12 HB1 LEU 12 117.153 5.279 7.731 86 HG LEU 12 HG LEU 12 118.011 7.031 5.999 87 1HD1 LEU 12 HD13 LEU 12 115.819 7.218 4.829 88 2HD1 LEU 12 HD12 LEU 12 115.116 7.886 6.302 89 3HD1 LEU 12 HD11 LEU 12 116.381 8.771 5.449 90 1HD2 LEU 12 HD21 LEU 12 118.047 7.323 8.459 91 2HD2 LEU 12 HD23 LEU 12 117.650 8.835 7.643 92 3HD2 LEU 12 HD22 LEU 12 116.378 7.887 8.412 93 H ILE 13 HN ILE 13 118.690 5.520 4.036 94 HA ILE 13 HA ILE 13 120.777 3.726 5.185 95 HB ILE 13 HB ILE 13 121.990 4.186 3.038 96 1HG1 ILE 13 HG12 ILE 13 119.384 5.459 2.162 97 2HG1 ILE 13 HG11 ILE 13 120.780 6.403 2.683 98 1HG2 ILE 13 HG23 ILE 13 120.323 2.268 3.438 99 2HG2 ILE 13 HG22 ILE 13 119.179 3.221 2.493 100 3HG2 ILE 13 HG21 ILE 13 120.683 2.668 1.758 101 1HD1 ILE 13 HD12 ILE 13 121.167 4.283 0.599 102 2HD1 ILE 13 HD11 ILE 13 120.449 5.822 0.125 103 3HD1 ILE 13 HD13 ILE 13 122.059 5.785 0.844 104 H GLY 14 HN GLY 14 119.976 7.084 4.549 105 1HA GLY 14 HA2 GLY 14 122.123 7.946 6.351 106 2HA GLY 14 HA1 GLY 14 122.332 8.470 4.680 107 H LYS 15 HN LYS 15 122.126 10.620 5.958 108 HA LYS 15 HA LYS 15 119.478 11.703 5.426 109 1HB LYS 15 HB2 LYS 15 119.266 10.588 7.714 110 2HB LYS 15 HB1 LYS 15 120.409 11.794 8.305 111 1HG LYS 15 HG2 LYS 15 118.887 13.588 7.462 112 2HG LYS 15 HG1 LYS 15 117.720 12.342 7.016 113 1HD LYS 15 HD2 LYS 15 117.594 11.601 9.359 114 2HD LYS 15 HD1 LYS 15 118.783 12.822 9.816 115 1HE LYS 15 HE2 LYS 15 116.254 13.612 8.386 116 2HE LYS 15 HE1 LYS 15 116.259 13.379 10.133 117 1HZ LYS 15 HZ2 LYS 15 118.185 15.134 8.720 118 2HZ LYS 15 HZ1 LYS 15 116.721 15.696 9.374 119 3HZ LYS 15 HZ3 LYS 15 117.906 15.036 10.392 120 H ASP 16 HN ASP 16 120.072 13.574 4.461 121 HA ASP 16 HA ASP 16 121.184 15.593 4.035 122 1HB ASP 16 HB2 ASP 16 121.493 15.390 7.039 123 2HB ASP 16 HB1 ASP 16 122.037 16.790 6.116 124 H GLY 17 HN GLY 17 122.688 12.994 3.973 125 1HA GLY 17 HA2 GLY 17 124.929 12.689 3.144 126 2HA GLY 17 HA1 GLY 17 125.400 14.193 3.937 127 H HIS 18 HN HIS 18 124.434 13.728 6.522 128 HA HIS 18 HA HIS 18 126.369 11.679 7.441 129 1HB HIS 18 HB2 HIS 18 125.921 12.676 9.700 130 2HB HIS 18 HB1 HIS 18 126.524 13.848 8.529 131 HD1 HIS 18 HD1 HIS 18 123.366 12.801 10.310 132 HD2 HIS 18 HD2 HIS 18 124.691 15.880 7.833 133 HE1 HIS 18 HE1 HIS 18 121.547 14.563 10.323 134 H LEU 19 HN LEU 19 125.610 10.338 9.392 135 HA LEU 19 HA LEU 19 123.046 9.069 8.666 136 1HB LEU 19 HB2 LEU 19 125.246 8.321 10.610 137 2HB LEU 19 HB1 LEU 19 123.758 7.389 10.428 138 HG LEU 19 HG LEU 19 125.466 8.069 8.039 139 1HD1 LEU 19 HD11 LEU 19 125.845 5.911 10.100 140 2HD1 LEU 19 HD13 LEU 19 126.274 5.605 8.417 141 3HD1 LEU 19 HD12 LEU 19 127.060 6.910 9.303 142 1HD2 LEU 19 HD21 LEU 19 123.013 7.110 8.051 143 2HD2 LEU 19 HD23 LEU 19 124.211 6.420 6.957 144 3HD2 LEU 19 HD22 LEU 19 123.814 5.594 8.465 145 HA PRO 20 HA PRO 20 120.804 10.894 12.060 146 1HB PRO 20 HB2 PRO 20 118.838 8.936 12.298 147 2HB PRO 20 HB1 PRO 20 118.817 10.274 11.142 148 1HG PRO 20 HG2 PRO 20 119.145 7.462 10.624 149 2HG PRO 20 HG1 PRO 20 119.002 8.791 9.466 150 1HD PRO 20 HD2 PRO 20 121.390 7.353 10.305 151 2HD PRO 20 HD1 PRO 20 121.190 8.505 8.974 152 H TRP 21 HN TRP 21 121.772 7.504 12.283 153 HA TRP 21 HA TRP 21 121.547 7.639 15.254 154 1HB TRP 21 HB2 TRP 21 121.883 5.158 15.137 155 2HB TRP 21 HB1 TRP 21 120.451 5.701 14.264 156 HD1 TRP 21 HD1 TRP 21 124.113 4.696 13.605 157 HE1 TRP 21 HE1 TRP 21 124.285 3.785 11.200 158 HE3 TRP 21 HE3 TRP 21 119.345 5.561 11.992 159 HZ2 TRP 21 HZ2 TRP 21 122.620 3.466 8.896 160 HZ3 TRP 21 HZ3 TRP 21 118.666 4.945 9.690 161 HH2 TRP 21 HH2 TRP 21 120.296 3.900 8.142 162 H HIS 22 HN HIS 22 123.428 6.087 16.219 163 HA HIS 22 HA HIS 22 126.018 6.796 14.927 164 1HB HIS 22 HB2 HIS 22 125.399 8.472 16.737 165 2HB HIS 22 HB1 HIS 22 125.510 7.144 17.893 166 HD1 HIS 22 HD1 HIS 22 127.610 9.266 15.606 167 HD2 HIS 22 HD2 HIS 22 128.152 6.237 18.419 168 HE1 HIS 22 HE1 HIS 22 130.099 9.146 16.059 169 H LEU 23 HN LEU 23 126.154 4.545 14.371 170 HA LEU 23 HA LEU 23 126.506 2.703 16.701 171 1HB LEU 23 HB2 LEU 23 124.699 2.213 14.935 172 2HB LEU 23 HB1 LEU 23 126.036 1.850 13.842 173 HG LEU 23 HG LEU 23 126.903 0.267 15.650 174 1HD1 LEU 23 HD12 LEU 23 124.244 1.082 16.781 175 2HD1 LEU 23 HD11 LEU 23 124.834 -0.556 17.062 176 3HD1 LEU 23 HD13 LEU 23 125.778 0.829 17.613 177 1HD2 LEU 23 HD22 LEU 23 125.381 -0.223 13.528 178 2HD2 LEU 23 HD21 LEU 23 125.725 -1.496 14.698 179 3HD2 LEU 23 HD23 LEU 23 124.187 -0.636 14.759 180 HA PRO 24 HA PRO 24 130.800 3.103 15.149 181 1HB PRO 24 HB2 PRO 24 131.816 2.154 17.618 182 2HB PRO 24 HB1 PRO 24 131.741 3.834 17.071 183 1HG PRO 24 HG2 PRO 24 130.247 2.612 19.161 184 2HG PRO 24 HG1 PRO 24 130.134 4.275 18.571 185 1HD PRO 24 HD2 PRO 24 128.320 2.040 18.110 186 2HD PRO 24 HD1 PRO 24 128.077 3.763 17.784 187 H ASP 25 HN ASP 25 129.172 0.419 16.720 188 HA ASP 25 HA ASP 25 131.146 -1.605 16.307 189 1HB ASP 25 HB2 ASP 25 129.092 -1.856 17.728 190 2HB ASP 25 HB1 ASP 25 128.132 -1.942 16.251 191 H ASP 26 HN ASP 26 128.668 -0.236 14.195 192 HA ASP 26 HA ASP 26 128.965 -2.192 12.085 193 1HB ASP 26 HB2 ASP 26 126.992 -0.633 12.388 194 2HB ASP 26 HB1 ASP 26 128.024 0.676 11.808 195 H LEU 27 HN LEU 27 130.593 0.810 12.925 196 HA LEU 27 HA LEU 27 131.940 1.268 10.445 197 1HB LEU 27 HB2 LEU 27 132.628 1.967 13.308 198 2HB LEU 27 HB1 LEU 27 133.637 2.461 11.946 199 HG LEU 27 HG LEU 27 130.675 3.066 12.145 200 1HD1 LEU 27 HD12 LEU 27 131.966 4.192 13.947 201 2HD1 LEU 27 HD11 LEU 27 133.047 4.869 12.728 202 3HD1 LEU 27 HD13 LEU 27 131.348 5.344 12.762 203 1HD2 LEU 27 HD22 LEU 27 132.912 3.802 10.261 204 2HD2 LEU 27 HD21 LEU 27 131.306 3.181 9.878 205 3HD2 LEU 27 HD23 LEU 27 131.499 4.846 10.428 206 H HIS 28 HN HIS 28 132.673 -0.812 13.205 207 HA HIS 28 HA HIS 28 135.350 -1.504 12.449 208 1HB HIS 28 HB2 HIS 28 133.318 -3.179 13.957 209 2HB HIS 28 HB1 HIS 28 135.065 -3.424 13.949 210 HD1 HIS 28 HD1 HIS 28 135.927 -0.439 14.212 211 HD2 HIS 28 HD2 HIS 28 133.024 -2.260 16.585 212 HE1 HIS 28 HE1 HIS 28 135.784 0.925 16.342 213 H TYR 29 HN TYR 29 132.186 -2.861 11.599 214 HA TYR 29 HA TYR 29 133.255 -5.108 10.119 215 1HB TYR 29 HB2 TYR 29 130.878 -4.849 11.054 216 2HB TYR 29 HB1 TYR 29 130.560 -3.811 9.664 217 HD1 TYR 29 HD1 TYR 29 132.095 -7.149 10.448 218 HD2 TYR 29 HD2 TYR 29 129.754 -4.801 7.716 219 HE1 TYR 29 HE1 TYR 29 131.740 -9.152 9.030 220 HE2 TYR 29 HE2 TYR 29 129.399 -6.804 6.299 221 HH TYR 29 HH TYR 29 131.211 -9.559 6.525 222 H PHE 30 HN PHE 30 132.376 -1.787 9.312 223 HA PHE 30 HA PHE 30 132.477 -2.050 6.460 224 1HB PHE 30 HB2 PHE 30 131.551 -0.077 7.748 225 2HB PHE 30 HB1 PHE 30 133.216 0.409 8.070 226 HD1 PHE 30 HD1 PHE 30 130.926 -0.503 5.248 227 HD2 PHE 30 HD2 PHE 30 134.365 1.736 6.516 228 HE1 PHE 30 HE1 PHE 30 131.044 0.580 3.020 229 HE2 PHE 30 HE2 PHE 30 134.483 2.818 4.289 230 HZ PHE 30 HZ PHE 30 132.822 2.240 2.540 231 H ARG 31 HN ARG 31 134.963 -1.280 8.882 232 HA ARG 31 HA ARG 31 137.083 -0.757 7.028 233 1HB ARG 31 HB2 ARG 31 137.029 -0.277 9.551 234 2HB ARG 31 HB1 ARG 31 137.451 -1.977 9.769 235 1HG ARG 31 HG2 ARG 31 139.558 -1.719 8.834 236 2HG ARG 31 HG1 ARG 31 139.067 -0.336 7.854 237 1HD ARG 31 HD2 ARG 31 140.554 0.328 9.738 238 2HD ARG 31 HD1 ARG 31 138.962 1.079 9.846 239 HE ARG 31 HE ARG 31 138.569 -0.153 11.816 240 1HH1 ARG 31 HH21 ARG 31 141.266 -1.517 10.056 241 2HH1 ARG 31 HH22 ARG 31 141.669 -2.617 11.327 242 1HH2 ARG 31 HH11 ARG 31 139.124 -1.595 13.433 243 2HH2 ARG 31 HH12 ARG 31 140.471 -2.662 13.220 244 H ALA 32 HN ALA 32 135.871 -3.734 8.511 245 HA ALA 32 HA ALA 32 138.006 -5.420 7.521 246 1HB ALA 32 HB3 ALA 32 136.446 -5.973 9.443 247 2HB ALA 32 HB2 ALA 32 135.189 -6.271 8.240 248 3HB ALA 32 HB1 ALA 32 136.646 -7.264 8.257 249 H GLN 33 HN GLN 33 134.945 -4.282 6.228 250 HA GLN 33 HA GLN 33 135.216 -6.073 3.872 251 1HB GLN 33 HB2 GLN 33 133.007 -4.119 4.585 252 2HB GLN 33 HB1 GLN 33 132.968 -5.303 3.278 253 1HG GLN 33 HG2 GLN 33 133.509 -6.226 6.084 254 2HG GLN 33 HG1 GLN 33 131.851 -5.883 5.590 255 1HE2 GLN 33 HE22 GLN 33 133.171 -9.447 4.689 256 2HE2 GLN 33 HE21 GLN 33 133.589 -8.504 6.038 257 H THR 34 HN THR 34 137.163 -3.986 4.228 258 HA THR 34 HA THR 34 136.713 -2.523 1.696 259 HB THR 34 HB THR 34 137.539 -0.392 2.839 260 HG1 THR 34 HG1 THR 34 136.665 -1.790 5.143 261 1HG2 THR 34 HG22 THR 34 134.853 -1.576 3.593 262 2HG2 THR 34 HG21 THR 34 135.268 0.130 3.760 263 3HG2 THR 34 HG23 THR 34 135.219 -0.613 2.162 264 H VAL 35 HN VAL 35 138.927 -3.058 4.448 265 HA VAL 35 HA VAL 35 141.327 -2.355 3.071 266 HB VAL 35 HB VAL 35 142.469 -3.702 4.832 267 1HG1 VAL 35 HG11 VAL 35 141.558 -1.348 5.192 268 2HG1 VAL 35 HG13 VAL 35 140.185 -2.099 6.005 269 3HG1 VAL 35 HG12 VAL 35 141.813 -2.297 6.657 270 1HG2 VAL 35 HG22 VAL 35 139.712 -4.770 5.090 271 2HG2 VAL 35 HG21 VAL 35 141.256 -5.547 5.437 272 3HG2 VAL 35 HG23 VAL 35 140.541 -4.443 6.612 273 H GLY 36 HN GLY 36 142.753 -3.583 1.831 274 1HA GLY 36 HA2 GLY 36 143.482 -5.346 0.463 275 2HA GLY 36 HA1 GLY 36 142.590 -6.437 1.524 276 H LYS 37 HN LYS 37 141.061 -3.741 -0.126 277 HA LYS 37 HA LYS 37 140.022 -5.422 -2.297 278 1HB LYS 37 HB2 LYS 37 138.315 -4.541 0.033 279 2HB LYS 37 HB1 LYS 37 137.612 -4.842 -1.555 280 1HG LYS 37 HG2 LYS 37 138.790 -7.115 -1.486 281 2HG LYS 37 HG1 LYS 37 139.079 -6.795 0.225 282 1HD LYS 37 HD2 LYS 37 136.303 -6.455 -0.849 283 2HD LYS 37 HD1 LYS 37 136.900 -8.088 -0.545 284 1HE LYS 37 HE2 LYS 37 137.598 -7.228 1.771 285 2HE LYS 37 HE1 LYS 37 136.595 -5.819 1.427 286 1HZ LYS 37 HZ1 LYS 37 135.581 -8.590 1.188 287 2HZ LYS 37 HZ3 LYS 37 135.485 -7.710 2.634 288 3HZ LYS 37 HZ2 LYS 37 134.686 -7.147 1.244 289 H ILE 38 HN ILE 38 138.110 -3.974 -3.372 290 HA ILE 38 HA ILE 38 139.324 -1.273 -3.705 291 HB ILE 38 HB ILE 38 137.318 -2.690 -5.484 292 1HG1 ILE 38 HG12 ILE 38 140.279 -2.349 -5.995 293 2HG1 ILE 38 HG11 ILE 38 139.631 -3.787 -5.205 294 1HG2 ILE 38 HG22 ILE 38 137.404 -0.202 -5.643 295 2HG2 ILE 38 HG21 ILE 38 139.129 -0.311 -5.994 296 3HG2 ILE 38 HG23 ILE 38 137.955 -0.992 -7.120 297 1HD1 ILE 38 HD11 ILE 38 138.367 -2.874 -7.761 298 2HD1 ILE 38 HD13 ILE 38 139.918 -3.710 -7.841 299 3HD1 ILE 38 HD12 ILE 38 138.525 -4.506 -7.111 300 H MET 39 HN MET 39 138.167 0.543 -3.173 301 HA MET 39 HA MET 39 135.416 0.117 -2.087 302 1HB MET 39 HB2 MET 39 137.440 1.169 -0.738 303 2HB MET 39 HB1 MET 39 136.985 2.629 -1.617 304 1HG MET 39 HG2 MET 39 134.674 2.418 -0.793 305 2HG MET 39 HG1 MET 39 135.111 0.945 0.072 306 1HE MET 39 HE2 MET 39 135.935 4.329 -0.794 307 2HE MET 39 HE1 MET 39 135.395 5.155 0.666 308 3HE MET 39 HE3 MET 39 137.121 4.895 0.379 309 H VAL 40 HN VAL 40 133.840 0.726 -3.477 310 HA VAL 40 HA VAL 40 134.421 2.906 -5.432 311 HB VAL 40 HB VAL 40 132.158 0.888 -5.467 312 1HG1 VAL 40 HG12 VAL 40 131.946 3.127 -6.704 313 2HG1 VAL 40 HG11 VAL 40 133.256 2.556 -7.737 314 3HG1 VAL 40 HG13 VAL 40 131.731 1.670 -7.675 315 1HG2 VAL 40 HG21 VAL 40 134.929 0.865 -6.663 316 2HG2 VAL 40 HG23 VAL 40 134.105 -0.416 -5.776 317 3HG2 VAL 40 HG22 VAL 40 133.608 -0.024 -7.421 318 H VAL 41 HN VAL 41 133.584 4.857 -4.912 319 HA VAL 41 HA VAL 41 130.936 4.958 -3.549 320 HB VAL 41 HB VAL 41 131.806 6.835 -2.130 321 1HG1 VAL 41 HG11 VAL 41 133.039 4.081 -1.933 322 2HG1 VAL 41 HG13 VAL 41 133.266 5.301 -0.680 323 3HG1 VAL 41 HG12 VAL 41 131.647 4.715 -1.056 324 1HG2 VAL 41 HG21 VAL 41 133.729 7.407 -3.608 325 2HG2 VAL 41 HG23 VAL 41 134.235 7.123 -1.942 326 3HG2 VAL 41 HG22 VAL 41 134.496 5.881 -3.167 327 H GLY 42 HN GLY 42 129.763 6.927 -3.976 328 1HA GLY 42 HA2 GLY 42 130.457 8.124 -6.575 329 2HA GLY 42 HA1 GLY 42 128.956 8.379 -5.685 330 H ARG 43 HN ARG 43 129.199 10.688 -6.039 331 HA ARG 43 HA ARG 43 131.520 12.069 -4.903 332 1HB ARG 43 HB2 ARG 43 130.194 12.883 -6.913 333 2HB ARG 43 HB1 ARG 43 128.895 13.288 -5.791 334 1HG ARG 43 HG2 ARG 43 131.027 14.447 -4.537 335 2HG ARG 43 HG1 ARG 43 131.496 14.630 -6.228 336 1HD ARG 43 HD2 ARG 43 128.691 15.317 -5.419 337 2HD ARG 43 HD1 ARG 43 129.987 16.461 -5.068 338 HE ARG 43 HE ARG 43 130.240 15.659 -7.783 339 1HH1 ARG 43 HH21 ARG 43 128.061 17.457 -5.720 340 2HH1 ARG 43 HH22 ARG 43 127.513 18.468 -7.010 341 1HH2 ARG 43 HH11 ARG 43 129.502 16.990 -9.422 342 2HH2 ARG 43 HH12 ARG 43 128.318 18.208 -9.084 343 H ARG 44 HN ARG 44 128.023 11.932 -4.143 344 HA ARG 44 HA ARG 44 128.189 13.433 -1.719 345 1HB ARG 44 HB2 ARG 44 126.085 12.793 -3.024 346 2HB ARG 44 HB1 ARG 44 126.205 11.211 -2.252 347 1HG ARG 44 HG2 ARG 44 124.813 12.351 -0.764 348 2HG ARG 44 HG1 ARG 44 126.399 12.616 -0.039 349 1HD ARG 44 HD2 ARG 44 125.577 14.789 -0.069 350 2HD ARG 44 HD1 ARG 44 126.414 14.738 -1.620 351 HE ARG 44 HE ARG 44 123.663 13.884 -1.883 352 1HH1 ARG 44 HH11 ARG 44 125.721 16.697 -1.586 353 2HH1 ARG 44 HH12 ARG 44 124.597 17.729 -2.399 354 1HH2 ARG 44 HH21 ARG 44 122.240 15.255 -2.931 355 2HH2 ARG 44 HH22 ARG 44 122.647 16.924 -3.154 356 H THR 45 HN THR 45 128.701 10.014 -2.423 357 HA THR 45 HA THR 45 128.807 9.213 0.376 358 HB THR 45 HB THR 45 130.024 7.716 -1.951 359 HG1 THR 45 HG1 THR 45 127.330 7.665 -1.073 360 1HG2 THR 45 HG21 THR 45 128.717 6.846 0.643 361 2HG2 THR 45 HG23 THR 45 129.382 5.763 -0.581 362 3HG2 THR 45 HG22 THR 45 130.449 6.846 0.312 363 H TYR 46 HN TYR 46 131.157 10.158 -2.096 364 HA TYR 46 HA TYR 46 133.506 9.474 -0.575 365 1HB TYR 46 HB2 TYR 46 133.434 9.925 -3.063 366 2HB TYR 46 HB1 TYR 46 133.262 11.638 -2.682 367 HD1 TYR 46 HD2 TYR 46 135.369 8.800 -1.399 368 HD2 TYR 46 HD1 TYR 46 135.246 12.833 -2.870 369 HE1 TYR 46 HE2 TYR 46 137.824 8.983 -1.101 370 HE2 TYR 46 HE1 TYR 46 137.702 13.017 -2.574 371 HH TYR 46 HH TYR 46 139.669 11.383 -2.492 372 H GLU 47 HN GLU 47 131.674 12.504 -0.982 373 HA GLU 47 HA GLU 47 133.392 14.026 0.788 374 1HB GLU 47 HB2 GLU 47 130.616 14.505 -0.316 375 2HB GLU 47 HB1 GLU 47 131.435 15.657 0.740 376 1HG GLU 47 HG2 GLU 47 132.970 14.632 -1.601 377 2HG GLU 47 HG1 GLU 47 131.663 15.771 -1.932 378 H SER 48 HN SER 48 130.662 11.901 1.262 379 HA SER 48 HA SER 48 129.753 12.876 3.788 380 1HB SER 48 HB2 SER 48 128.636 10.776 4.021 381 2HB SER 48 HB1 SER 48 128.634 11.129 2.295 382 HG SER 48 HG SER 48 130.606 9.833 2.222 383 H PHE 49 HN PHE 49 132.490 10.870 2.880 384 HA PHE 49 HA PHE 49 133.077 9.840 5.495 385 1HB PHE 49 HB2 PHE 49 135.039 10.417 3.256 386 2HB PHE 49 HB1 PHE 49 135.267 9.290 4.593 387 HD1 PHE 49 HD1 PHE 49 132.845 7.792 4.819 388 HD2 PHE 49 HD2 PHE 49 134.744 9.260 1.257 389 HE1 PHE 49 HE1 PHE 49 131.747 6.005 3.496 390 HE2 PHE 49 HE2 PHE 49 133.644 7.473 -0.064 391 HZ PHE 49 HZ PHE 49 132.145 5.846 1.055 392 HA PRO 50 HA PRO 50 134.800 13.485 7.407 393 1HB PRO 50 HB2 PRO 50 136.257 12.160 9.384 394 2HB PRO 50 HB1 PRO 50 134.549 12.605 9.488 395 1HG PRO 50 HG2 PRO 50 135.713 9.980 9.263 396 2HG PRO 50 HG1 PRO 50 134.017 10.425 9.503 397 1HD PRO 50 HD2 PRO 50 135.328 9.523 7.076 398 2HD PRO 50 HD1 PRO 50 133.603 9.784 7.380 399 H LYS 51 HN LYS 51 137.154 10.780 7.317 400 HA LYS 51 HA LYS 51 139.296 12.737 6.659 401 1HB LYS 51 HB2 LYS 51 139.380 10.774 8.462 402 2HB LYS 51 HB1 LYS 51 139.843 9.822 7.051 403 1HG LYS 51 HG2 LYS 51 141.924 10.580 7.750 404 2HG LYS 51 HG1 LYS 51 141.480 11.857 6.617 405 1HD LYS 51 HD2 LYS 51 141.106 13.398 8.282 406 2HD LYS 51 HD1 LYS 51 140.564 12.176 9.434 407 1HE LYS 51 HE2 LYS 51 143.427 12.143 8.552 408 2HE LYS 51 HE1 LYS 51 142.921 13.351 9.732 409 1HZ LYS 51 HZ3 LYS 51 141.927 11.484 11.023 410 2HZ LYS 51 HZ2 LYS 51 142.687 10.402 9.954 411 3HZ LYS 51 HZ1 LYS 51 143.620 11.442 10.921 412 H ARG 52 HN ARG 52 139.333 13.106 4.478 413 HA ARG 52 HA ARG 52 139.152 10.730 2.675 414 1HB ARG 52 HB2 ARG 52 138.647 13.637 1.972 415 2HB ARG 52 HB1 ARG 52 138.361 12.237 0.937 416 1HG ARG 52 HG2 ARG 52 136.707 11.385 2.594 417 2HG ARG 52 HG1 ARG 52 136.947 12.850 3.549 418 1HD ARG 52 HD2 ARG 52 135.880 12.688 0.717 419 2HD ARG 52 HD1 ARG 52 134.982 13.162 2.159 420 HE ARG 52 HE ARG 52 136.807 14.855 0.642 421 1HH1 ARG 52 HH11 ARG 52 135.371 14.263 3.775 422 2HH1 ARG 52 HH12 ARG 52 135.582 15.900 4.293 423 1HH2 ARG 52 HH21 ARG 52 137.063 16.960 1.353 424 2HH2 ARG 52 HH22 ARG 52 136.531 17.410 2.938 425 HA PRO 53 HA PRO 53 139.704 10.009 0.797 426 1HB PRO 53 HB2 PRO 53 141.798 8.421 -0.160 427 2HB PRO 53 HB1 PRO 53 140.906 9.630 -1.096 428 1HG PRO 53 HG2 PRO 53 143.641 9.712 -0.254 429 2HG PRO 53 HG1 PRO 53 142.751 10.907 -1.206 430 1HD PRO 53 HD2 PRO 53 143.469 10.974 1.633 431 2HD PRO 53 HD1 PRO 53 142.912 12.289 0.585 432 H LEU 54 HN LEU 54 139.936 7.451 1.045 433 HA LEU 54 HA LEU 54 140.665 6.979 3.883 434 1HB LEU 54 HB2 LEU 54 138.995 5.402 1.910 435 2HB LEU 54 HB1 LEU 54 139.364 4.842 3.541 436 HG LEU 54 HG LEU 54 138.022 7.489 2.923 437 1HD1 LEU 54 HD12 LEU 54 136.944 4.738 3.439 438 2HD1 LEU 54 HD11 LEU 54 136.062 6.132 4.063 439 3HD1 LEU 54 HD13 LEU 54 136.356 5.977 2.331 440 1HD2 LEU 54 HD23 LEU 54 138.791 5.990 5.414 441 2HD2 LEU 54 HD22 LEU 54 138.980 7.705 5.046 442 3HD2 LEU 54 HD21 LEU 54 137.387 7.058 5.440 443 HA PRO 55 HA PRO 55 144.300 4.829 2.215 444 1HB PRO 55 HB2 PRO 55 145.415 4.457 4.769 445 2HB PRO 55 HB1 PRO 55 145.757 5.792 3.662 446 1HG PRO 55 HG2 PRO 55 144.374 5.886 6.158 447 2HG PRO 55 HG1 PRO 55 144.713 7.217 5.044 448 1HD PRO 55 HD2 PRO 55 142.209 5.782 5.480 449 2HD PRO 55 HD1 PRO 55 142.492 7.304 4.621 450 H GLU 56 HN GLU 56 145.503 2.720 3.131 451 HA GLU 56 HA GLU 56 145.334 0.419 3.542 452 1HB GLU 56 HB2 GLU 56 143.487 1.683 5.489 453 2HB GLU 56 HB1 GLU 56 143.211 -0.032 5.185 454 1HG GLU 56 HG2 GLU 56 145.992 0.996 5.718 455 2HG GLU 56 HG1 GLU 56 144.899 0.633 7.054 456 H ARG 57 HN ARG 57 143.862 1.661 1.294 457 HA ARG 57 HA ARG 57 142.415 -0.627 0.388 458 1HB ARG 57 HB2 ARG 57 140.115 0.347 0.370 459 2HB ARG 57 HB1 ARG 57 140.709 0.041 2.001 460 1HG ARG 57 HG2 ARG 57 141.556 2.515 1.881 461 2HG ARG 57 HG1 ARG 57 140.381 2.668 0.574 462 1HD ARG 57 HD2 ARG 57 139.062 3.225 2.406 463 2HD ARG 57 HD1 ARG 57 138.767 1.490 2.303 464 HE ARG 57 HE ARG 57 141.041 2.041 3.991 465 1HH1 ARG 57 HH21 ARG 57 137.545 2.110 3.911 466 2HH1 ARG 57 HH22 ARG 57 137.404 1.904 5.622 467 1HH2 ARG 57 HH11 ARG 57 140.811 1.775 6.198 468 2HH2 ARG 57 HH12 ARG 57 139.231 1.712 6.905 469 H THR 58 HN THR 58 141.146 -0.039 -1.691 470 HA THR 58 HA THR 58 142.762 1.967 -3.169 471 HB THR 58 HB THR 58 140.743 0.066 -4.367 472 HG1 THR 58 HG1 THR 58 142.151 -1.182 -3.154 473 1HG2 THR 58 HG21 THR 58 141.834 1.987 -5.664 474 2HG2 THR 58 HG23 THR 58 143.348 1.099 -5.494 475 3HG2 THR 58 HG22 THR 58 141.996 0.377 -6.365 476 H ASN 59 HN ASN 59 141.903 3.966 -3.382 477 HA ASN 59 HA ASN 59 139.048 4.439 -2.917 478 1HB ASN 59 HB2 ASN 59 141.130 6.427 -3.866 479 2HB ASN 59 HB1 ASN 59 139.595 6.781 -3.074 480 1HD2 ASN 59 HD22 ASN 59 141.047 5.124 0.025 481 2HD2 ASN 59 HD21 ASN 59 139.820 4.650 -1.049 482 H VAL 60 HN VAL 60 137.536 4.439 -4.497 483 HA VAL 60 HA VAL 60 138.389 5.031 -7.296 484 HB VAL 60 HB VAL 60 136.452 2.836 -6.504 485 1HG1 VAL 60 HG13 VAL 60 137.596 3.820 -9.124 486 2HG1 VAL 60 HG12 VAL 60 136.897 2.210 -8.955 487 3HG1 VAL 60 HG11 VAL 60 135.899 3.637 -8.677 488 1HG2 VAL 60 HG23 VAL 60 139.398 2.853 -7.078 489 2HG2 VAL 60 HG22 VAL 60 138.501 1.916 -5.884 490 3HG2 VAL 60 HG21 VAL 60 138.437 1.465 -7.588 491 H VAL 61 HN VAL 61 137.444 7.100 -7.221 492 HA VAL 61 HA VAL 61 134.641 7.385 -6.353 493 HB VAL 61 HB VAL 61 136.481 9.447 -7.604 494 1HG1 VAL 61 HG11 VAL 61 133.825 9.540 -6.176 495 2HG1 VAL 61 HG13 VAL 61 134.886 10.948 -6.221 496 3HG1 VAL 61 HG12 VAL 61 134.266 10.263 -7.724 497 1HG2 VAL 61 HG22 VAL 61 136.063 8.554 -4.748 498 2HG2 VAL 61 HG21 VAL 61 137.583 8.756 -5.619 499 3HG2 VAL 61 HG23 VAL 61 136.651 10.172 -5.131 500 H LEU 62 HN LEU 62 132.907 7.682 -7.736 501 HA LEU 62 HA LEU 62 133.442 7.851 -10.660 502 1HB LEU 62 HB2 LEU 62 133.111 5.447 -10.052 503 2HB LEU 62 HB1 LEU 62 131.524 5.863 -9.402 504 HG LEU 62 HG LEU 62 131.076 6.904 -11.737 505 1HD1 LEU 62 HD13 LEU 62 133.452 5.107 -12.309 506 2HD1 LEU 62 HD12 LEU 62 132.368 5.739 -13.547 507 3HD1 LEU 62 HD11 LEU 62 133.351 6.845 -12.589 508 1HD2 LEU 62 HD23 LEU 62 131.173 4.016 -10.960 509 2HD2 LEU 62 HD22 LEU 62 129.778 5.031 -11.326 510 3HD2 LEU 62 HD21 LEU 62 130.782 4.406 -12.635 511 H THR 63 HN THR 63 132.466 9.784 -11.098 512 HA THR 63 HA THR 63 129.629 10.110 -10.223 513 HB THR 63 HB THR 63 130.967 11.530 -8.770 514 HG1 THR 63 HG1 THR 63 130.032 13.496 -9.329 515 1HG2 THR 63 HG21 THR 63 132.125 12.618 -11.351 516 2HG2 THR 63 HG23 THR 63 132.427 13.286 -9.746 517 3HG2 THR 63 HG22 THR 63 132.986 11.661 -10.146 518 H HIS 64 HN HIS 64 131.374 9.552 -12.849 519 HA HIS 64 HA HIS 64 131.128 10.032 -15.127 520 1HB HIS 64 HB2 HIS 64 128.478 10.745 -13.928 521 2HB HIS 64 HB1 HIS 64 128.791 11.198 -15.604 522 HD1 HIS 64 HD1 HIS 64 129.843 9.066 -17.081 523 HD2 HIS 64 HD2 HIS 64 127.563 8.152 -13.714 524 HE1 HIS 64 HE1 HIS 64 129.111 6.657 -17.345 525 H GLN 65 HN GLN 65 132.324 12.073 -13.277 526 HA GLN 65 HA GLN 65 131.995 14.422 -15.090 527 1HB GLN 65 HB2 GLN 65 130.831 14.590 -12.756 528 2HB GLN 65 HB1 GLN 65 132.474 14.787 -12.140 529 1HG GLN 65 HG2 GLN 65 132.807 16.796 -13.287 530 2HG GLN 65 HG1 GLN 65 131.551 16.441 -14.474 531 1HE2 GLN 65 HE22 GLN 65 130.582 18.534 -11.189 532 2HE2 GLN 65 HE21 GLN 65 132.186 18.208 -11.639 533 H GLU 66 HN GLU 66 133.926 15.294 -15.736 534 HA GLU 66 HA GLU 66 136.399 14.107 -14.572 535 1HB GLU 66 HB2 GLU 66 137.483 15.006 -16.653 536 2HB GLU 66 HB1 GLU 66 136.218 13.820 -16.973 537 1HG GLU 66 HG2 GLU 66 135.303 16.635 -16.815 538 2HG GLU 66 HG1 GLU 66 136.345 16.257 -18.187 539 H ASP 67 HN ASP 67 134.849 16.322 -13.336 540 HA ASP 67 HA ASP 67 136.861 18.522 -13.550 541 1HB ASP 67 HB2 ASP 67 133.923 18.477 -12.933 542 2HB ASP 67 HB1 ASP 67 134.922 19.773 -12.274 543 H TYR 68 HN TYR 68 135.281 16.257 -11.391 544 HA TYR 68 HA TYR 68 136.013 17.419 -8.891 545 1HB TYR 68 HB2 TYR 68 134.454 15.410 -9.376 546 2HB TYR 68 HB1 TYR 68 135.928 14.443 -9.387 547 HD1 TYR 68 HD2 TYR 68 134.007 16.894 -7.320 548 HD2 TYR 68 HD1 TYR 68 136.914 13.732 -7.368 549 HE1 TYR 68 HE2 TYR 68 133.995 16.844 -4.839 550 HE2 TYR 68 HE1 TYR 68 136.901 13.682 -4.889 551 HH TYR 68 HH TYR 68 136.046 15.907 -3.010 552 H GLN 69 HN GLN 69 138.044 17.833 -8.189 553 HA GLN 69 HA GLN 69 140.265 16.080 -9.159 554 1HB GLN 69 HB2 GLN 69 140.090 19.000 -8.504 555 2HB GLN 69 HB1 GLN 69 141.629 18.171 -8.270 556 1HG GLN 69 HG2 GLN 69 141.193 17.243 -10.682 557 2HG GLN 69 HG1 GLN 69 140.090 18.613 -10.814 558 1HE2 GLN 69 HE22 GLN 69 142.814 21.024 -10.379 559 2HE2 GLN 69 HE21 GLN 69 141.243 20.755 -9.797 560 H ALA 70 HN ALA 70 141.195 14.803 -7.639 561 HA ALA 70 HA ALA 70 141.357 15.714 -4.834 562 1HB ALA 70 HB1 ALA 70 139.178 14.537 -4.967 563 2HB ALA 70 HB3 ALA 70 139.999 13.110 -5.600 564 3HB ALA 70 HB2 ALA 70 140.327 13.660 -3.957 565 H GLN 71 HN GLN 71 143.485 15.414 -4.418 566 HA GLN 71 HA GLN 71 145.040 13.371 -5.831 567 1HB GLN 71 HB2 GLN 71 145.733 15.416 -3.709 568 2HB GLN 71 HB1 GLN 71 146.907 14.263 -4.346 569 1HG GLN 71 HG2 GLN 71 145.299 15.862 -6.298 570 2HG GLN 71 HG1 GLN 71 146.618 16.667 -5.448 571 1HE2 GLN 71 HE22 GLN 71 148.787 15.383 -7.924 572 2HE2 GLN 71 HE21 GLN 71 148.150 16.763 -7.169 573 H GLY 72 HN GLY 72 145.969 11.526 -4.875 574 1HA GLY 72 HA2 GLY 72 146.430 9.993 -3.094 575 2HA GLY 72 HA1 GLY 72 145.394 10.947 -2.034 576 H ALA 73 HN ALA 73 143.914 10.356 -5.062 577 HA ALA 73 HA ALA 73 142.701 7.800 -4.222 578 1HB ALA 73 HB1 ALA 73 141.281 10.438 -4.249 579 2HB ALA 73 HB3 ALA 73 140.396 9.000 -4.758 580 3HB ALA 73 HB2 ALA 73 141.093 9.080 -3.140 581 H VAL 74 HN VAL 74 141.701 6.705 -5.981 582 HA VAL 74 HA VAL 74 142.540 7.709 -8.638 583 HB VAL 74 HB VAL 74 141.285 5.049 -7.901 584 1HG1 VAL 74 HG11 VAL 74 142.688 6.126 -10.354 585 2HG1 VAL 74 HG13 VAL 74 142.489 4.398 -10.064 586 3HG1 VAL 74 HG12 VAL 74 141.072 5.431 -10.249 587 1HG2 VAL 74 HG21 VAL 74 144.134 6.027 -7.920 588 2HG2 VAL 74 HG23 VAL 74 143.310 5.047 -6.708 589 3HG2 VAL 74 HG22 VAL 74 143.776 4.333 -8.252 590 H VAL 75 HN VAL 75 141.080 9.022 -9.619 591 HA VAL 75 HA VAL 75 138.175 8.504 -9.204 592 HB VAL 75 HB VAL 75 139.518 10.904 -10.484 593 1HG1 VAL 75 HG11 VAL 75 137.068 10.345 -10.996 594 2HG1 VAL 75 HG13 VAL 75 136.747 10.677 -9.294 595 3HG1 VAL 75 HG12 VAL 75 137.381 11.950 -10.337 596 1HG2 VAL 75 HG23 VAL 75 138.612 10.375 -7.641 597 2HG2 VAL 75 HG22 VAL 75 140.228 10.829 -8.187 598 3HG2 VAL 75 HG21 VAL 75 138.908 11.997 -8.270 599 H VAL 76 HN VAL 76 136.990 7.650 -10.846 600 HA VAL 76 HA VAL 76 138.253 7.532 -13.557 601 HB VAL 76 HB VAL 76 136.845 5.479 -13.887 602 1HG1 VAL 76 HG11 VAL 76 139.281 5.630 -12.861 603 2HG1 VAL 76 HG13 VAL 76 138.472 5.042 -11.408 604 3HG1 VAL 76 HG12 VAL 76 138.421 4.091 -12.892 605 1HG2 VAL 76 HG22 VAL 76 135.361 6.349 -11.831 606 2HG2 VAL 76 HG21 VAL 76 135.482 4.635 -12.227 607 3HG2 VAL 76 HG23 VAL 76 136.466 5.311 -10.930 608 H HIS 77 HN HIS 77 136.600 7.448 -15.358 609 HA HIS 77 HA HIS 77 134.095 8.917 -14.658 610 1HB HIS 77 HB2 HIS 77 135.862 9.565 -17.037 611 2HB HIS 77 HB1 HIS 77 134.402 10.420 -16.540 612 HD1 HIS 77 HD1 HIS 77 134.975 10.567 -13.486 613 HD2 HIS 77 HD2 HIS 77 137.764 11.524 -16.432 614 HE1 HIS 77 HE1 HIS 77 136.671 12.098 -12.394 615 H ASP 78 HN ASP 78 134.452 6.105 -15.206 616 HA ASP 78 HA ASP 78 132.522 5.830 -17.390 617 1HB ASP 78 HB2 ASP 78 134.865 5.882 -18.454 618 2HB ASP 78 HB1 ASP 78 135.127 4.326 -17.668 619 H VAL 79 HN VAL 79 131.167 4.185 -16.854 620 HA VAL 79 HA VAL 79 131.502 2.669 -14.452 621 HB VAL 79 HB VAL 79 129.713 2.031 -16.820 622 1HG1 VAL 79 HG12 VAL 79 129.630 1.271 -13.885 623 2HG1 VAL 79 HG11 VAL 79 128.294 1.009 -15.007 624 3HG1 VAL 79 HG13 VAL 79 129.831 0.182 -15.258 625 1HG2 VAL 79 HG23 VAL 79 129.701 4.390 -15.479 626 2HG2 VAL 79 HG22 VAL 79 128.239 3.637 -16.113 627 3HG2 VAL 79 HG21 VAL 79 128.670 3.434 -14.416 628 H ALA 80 HN ALA 80 132.107 1.897 -17.864 629 HA ALA 80 HA ALA 80 132.720 -0.875 -17.490 630 1HB ALA 80 HB1 ALA 80 133.695 1.099 -19.578 631 2HB ALA 80 HB3 ALA 80 133.937 -0.646 -19.667 632 3HB ALA 80 HB2 ALA 80 132.306 0.022 -19.718 633 H ALA 81 HN ALA 81 134.663 2.067 -17.226 634 HA ALA 81 HA ALA 81 137.219 0.776 -16.997 635 1HB ALA 81 HB2 ALA 81 136.215 3.447 -15.975 636 2HB ALA 81 HB1 ALA 81 137.901 2.939 -15.893 637 3HB ALA 81 HB3 ALA 81 137.121 3.149 -17.459 638 H VAL 82 HN VAL 82 134.704 1.607 -14.649 639 HA VAL 82 HA VAL 82 136.203 1.045 -12.276 640 HB VAL 82 HB VAL 82 133.223 0.676 -12.722 641 1HG1 VAL 82 HG11 VAL 82 134.936 1.075 -10.254 642 2HG1 VAL 82 HG13 VAL 82 133.181 1.251 -10.255 643 3HG1 VAL 82 HG12 VAL 82 133.910 -0.309 -10.634 644 1HG2 VAL 82 HG23 VAL 82 134.547 2.986 -13.196 645 2HG2 VAL 82 HG22 VAL 82 132.929 2.944 -12.498 646 3HG2 VAL 82 HG21 VAL 82 134.336 3.128 -11.451 647 H PHE 83 HN PHE 83 134.311 -1.016 -14.451 648 HA PHE 83 HA PHE 83 134.602 -3.395 -12.796 649 1HB PHE 83 HB2 PHE 83 133.546 -2.781 -15.530 650 2HB PHE 83 HB1 PHE 83 133.958 -4.454 -15.149 651 HD1 PHE 83 HD2 PHE 83 133.206 -5.035 -12.538 652 HD2 PHE 83 HD1 PHE 83 131.296 -2.281 -15.226 653 HE1 PHE 83 HE2 PHE 83 131.084 -5.274 -11.276 654 HE2 PHE 83 HE1 PHE 83 129.174 -2.520 -13.964 655 HZ PHE 83 HZ PHE 83 129.069 -4.016 -11.989 656 H ALA 84 HN ALA 84 136.327 -1.958 -15.521 657 HA ALA 84 HA ALA 84 138.013 -4.217 -16.090 658 1HB ALA 84 HB1 ALA 84 138.511 -1.255 -16.527 659 2HB ALA 84 HB3 ALA 84 139.448 -2.561 -17.251 660 3HB ALA 84 HB2 ALA 84 137.750 -2.355 -17.677 661 H TYR 85 HN TYR 85 138.165 -1.610 -13.737 662 HA TYR 85 HA TYR 85 140.908 -1.868 -12.981 663 1HB TYR 85 HB2 TYR 85 139.228 -0.047 -12.298 664 2HB TYR 85 HB1 TYR 85 138.666 -1.186 -11.074 665 HD1 TYR 85 HD1 TYR 85 141.520 0.859 -12.220 666 HD2 TYR 85 HD2 TYR 85 140.045 -1.777 -9.167 667 HE1 TYR 85 HE1 TYR 85 143.413 1.501 -10.750 668 HE2 TYR 85 HE2 TYR 85 141.937 -1.137 -7.698 669 HH TYR 85 HH TYR 85 143.801 1.527 -8.162 670 H ALA 86 HN ALA 86 137.997 -3.615 -11.980 671 HA ALA 86 HA ALA 86 139.332 -5.121 -9.883 672 1HB ALA 86 HB1 ALA 86 136.685 -5.364 -11.310 673 2HB ALA 86 HB3 ALA 86 137.231 -6.617 -10.196 674 3HB ALA 86 HB2 ALA 86 136.991 -4.969 -9.618 675 H LYS 87 HN LYS 87 138.612 -5.648 -13.307 676 HA LYS 87 HA LYS 87 139.428 -8.410 -13.384 677 1HB LYS 87 HB2 LYS 87 138.063 -7.185 -15.146 678 2HB LYS 87 HB1 LYS 87 139.568 -6.428 -15.669 679 1HG LYS 87 HG2 LYS 87 139.474 -8.295 -17.069 680 2HG LYS 87 HG1 LYS 87 140.459 -8.901 -15.736 681 1HD LYS 87 HD2 LYS 87 138.745 -10.209 -14.880 682 2HD LYS 87 HD1 LYS 87 137.482 -9.181 -15.559 683 1HE LYS 87 HE2 LYS 87 137.473 -11.191 -16.861 684 2HE LYS 87 HE1 LYS 87 138.251 -9.961 -17.857 685 1HZ LYS 87 HZ1 LYS 87 140.408 -10.792 -17.058 686 2HZ LYS 87 HZ3 LYS 87 139.610 -12.036 -16.226 687 3HZ LYS 87 HZ2 LYS 87 139.535 -11.966 -17.922 688 H GLN 88 HN GLN 88 141.131 -5.346 -13.992 689 HA GLN 88 HA GLN 88 143.618 -6.501 -14.805 690 1HB GLN 88 HB2 GLN 88 142.618 -3.936 -14.565 691 2HB GLN 88 HB1 GLN 88 143.830 -3.985 -13.285 692 1HG GLN 88 HG2 GLN 88 145.579 -4.462 -14.792 693 2HG GLN 88 HG1 GLN 88 144.467 -4.997 -16.053 694 1HE2 GLN 88 HE22 GLN 88 143.490 -1.544 -16.827 695 2HE2 GLN 88 HE21 GLN 88 142.744 -3.043 -16.545 696 H HIS 89 HN HIS 89 142.179 -5.944 -11.654 697 HA HIS 89 HA HIS 89 144.686 -6.921 -10.354 698 1HB HIS 89 HB2 HIS 89 142.349 -5.338 -9.251 699 2HB HIS 89 HB1 HIS 89 143.653 -5.985 -8.256 700 HD1 HIS 89 HD1 HIS 89 143.099 -2.886 -8.692 701 HD2 HIS 89 HD2 HIS 89 145.976 -5.138 -10.698 702 HE1 HIS 89 HE1 HIS 89 144.853 -1.247 -9.504 703 HA PRO 90 HA PRO 90 141.968 -10.605 -10.010 704 1HB PRO 90 HB2 PRO 90 144.236 -12.248 -9.536 705 2HB PRO 90 HB1 PRO 90 143.319 -12.093 -11.039 706 1HG PRO 90 HG2 PRO 90 145.967 -11.205 -10.517 707 2HG PRO 90 HG1 PRO 90 145.021 -10.993 -11.995 708 1HD PRO 90 HD2 PRO 90 145.658 -9.036 -9.936 709 2HD PRO 90 HD1 PRO 90 144.959 -8.780 -11.541 710 H ASP 91 HN ASP 91 144.461 -9.362 -7.887 711 HA ASP 91 HA ASP 91 143.484 -11.030 -5.632 712 1HB ASP 91 HB2 ASP 91 145.870 -9.236 -6.050 713 2HB ASP 91 HB1 ASP 91 145.381 -9.721 -4.425 714 H GLN 92 HN GLN 92 141.916 -8.769 -6.896 715 HA GLN 92 HA GLN 92 141.338 -7.341 -4.358 716 1HB GLN 92 HB2 GLN 92 141.916 -6.019 -7.023 717 2HB GLN 92 HB1 GLN 92 141.119 -5.193 -5.684 718 1HG GLN 92 HG2 GLN 92 143.127 -5.899 -4.254 719 2HG GLN 92 HG1 GLN 92 143.925 -6.314 -5.772 720 1HE2 GLN 92 HE22 GLN 92 144.162 -2.558 -4.638 721 2HE2 GLN 92 HE21 GLN 92 143.987 -3.905 -3.620 722 H GLU 93 HN GLU 93 139.147 -6.871 -4.117 723 HA GLU 93 HA GLU 93 137.371 -7.836 -6.322 724 1HB GLU 93 HB2 GLU 93 137.142 -7.926 -3.323 725 2HB GLU 93 HB1 GLU 93 135.689 -7.972 -4.320 726 1HG GLU 93 HG2 GLU 93 136.255 -10.250 -4.030 727 2HG GLU 93 HG1 GLU 93 136.881 -9.854 -5.630 728 H LEU 94 HN LEU 94 135.216 -6.689 -6.394 729 HA LEU 94 HA LEU 94 135.650 -3.768 -6.018 730 1HB LEU 94 HB2 LEU 94 134.946 -4.898 -8.270 731 2HB LEU 94 HB1 LEU 94 133.346 -4.977 -7.532 732 HG LEU 94 HG LEU 94 133.759 -2.452 -6.980 733 1HD1 LEU 94 HD12 LEU 94 136.197 -2.781 -7.875 734 2HD1 LEU 94 HD11 LEU 94 135.451 -2.613 -9.464 735 3HD1 LEU 94 HD13 LEU 94 135.328 -1.303 -8.290 736 1HD2 LEU 94 HD22 LEU 94 132.136 -3.516 -8.661 737 2HD2 LEU 94 HD21 LEU 94 132.620 -1.851 -8.990 738 3HD2 LEU 94 HD23 LEU 94 133.356 -3.178 -9.890 739 H VAL 95 HN VAL 95 134.604 -2.764 -4.376 740 HA VAL 95 HA VAL 95 132.214 -4.125 -3.193 741 HB VAL 95 HB VAL 95 134.151 -2.252 -1.800 742 1HG1 VAL 95 HG13 VAL 95 131.699 -3.788 -0.997 743 2HG1 VAL 95 HG12 VAL 95 132.973 -3.519 0.193 744 3HG1 VAL 95 HG11 VAL 95 132.174 -2.144 -0.571 745 1HG2 VAL 95 HG23 VAL 95 133.936 -5.280 -1.741 746 2HG2 VAL 95 HG22 VAL 95 135.278 -4.346 -2.403 747 3HG2 VAL 95 HG21 VAL 95 134.956 -4.323 -0.669 748 H ILE 96 HN ILE 96 130.348 -2.943 -3.117 749 HA ILE 96 HA ILE 96 130.485 -0.115 -4.064 750 HB ILE 96 HB ILE 96 128.065 -1.935 -3.922 751 1HG1 ILE 96 HG12 ILE 96 129.763 -2.873 -5.454 752 2HG1 ILE 96 HG11 ILE 96 128.379 -2.257 -6.352 753 1HG2 ILE 96 HG21 ILE 96 127.792 0.607 -3.980 754 2HG2 ILE 96 HG23 ILE 96 128.492 0.546 -5.598 755 3HG2 ILE 96 HG22 ILE 96 126.976 -0.291 -5.261 756 1HD1 ILE 96 HD11 ILE 96 130.958 -0.721 -5.904 757 2HD1 ILE 96 HD13 ILE 96 130.556 -1.600 -7.380 758 3HD1 ILE 96 HD12 ILE 96 129.592 -0.205 -6.892 759 H ALA 97 HN ALA 97 130.298 1.383 -2.480 760 HA ALA 97 HA ALA 97 128.885 0.623 0.037 761 1HB ALA 97 HB2 ALA 97 130.883 2.830 -0.545 762 2HB ALA 97 HB1 ALA 97 130.087 2.592 1.010 763 3HB ALA 97 HB3 ALA 97 131.181 1.360 0.383 764 H GLY 98 HN GLY 98 128.946 2.970 -2.589 765 1HA GLY 98 HA2 GLY 98 126.270 3.643 -2.611 766 2HA GLY 98 HA1 GLY 98 126.943 4.714 -1.382 767 H GLY 99 HN GLY 99 127.287 6.754 -4.395 768 1HA GLY 99 HA2 GLY 99 125.688 6.135 -1.994 769 2HA GLY 99 HA1 GLY 99 125.474 7.528 -3.056 770 H ALA 100 HN ALA 100 123.195 7.120 -3.203 771 HA ALA 100 HA ALA 100 122.084 4.611 -4.053 772 1HB ALA 100 HB3 ALA 100 121.046 7.453 -4.161 773 2HB ALA 100 HB2 ALA 100 120.088 6.069 -4.688 774 3HB ALA 100 HB1 ALA 100 120.614 6.189 -3.008 775 H GLN 101 HN GLN 101 123.236 7.466 -5.801 776 HA GLN 101 HA GLN 101 122.283 6.687 -8.394 777 1HB GLN 101 HB2 GLN 101 123.123 8.983 -7.751 778 2HB GLN 101 HB1 GLN 101 124.760 8.325 -7.784 779 1HG GLN 101 HG2 GLN 101 124.438 7.654 -10.144 780 2HG GLN 101 HG1 GLN 101 122.814 8.341 -10.110 781 1HE2 GLN 101 HE22 GLN 101 126.054 10.824 -10.356 782 2HE2 GLN 101 HE21 GLN 101 126.270 9.172 -10.029 783 H ILE 102 HN ILE 102 125.134 5.838 -6.521 784 HA ILE 102 HA ILE 102 126.527 4.573 -8.745 785 HB ILE 102 HB ILE 102 126.942 4.175 -5.769 786 1HG1 ILE 102 HG12 ILE 102 127.065 6.567 -6.372 787 2HG1 ILE 102 HG11 ILE 102 128.661 5.940 -5.969 788 1HG2 ILE 102 HG22 ILE 102 128.490 3.484 -8.247 789 2HG2 ILE 102 HG21 ILE 102 129.357 3.827 -6.751 790 3HG2 ILE 102 HG23 ILE 102 128.191 2.506 -6.811 791 1HD1 ILE 102 HD11 ILE 102 128.477 5.470 -8.700 792 2HD1 ILE 102 HD13 ILE 102 127.674 7.029 -8.505 793 3HD1 ILE 102 HD12 ILE 102 129.333 6.815 -7.947 794 H PHE 103 HN PHE 103 124.355 3.516 -6.161 795 HA PHE 103 HA PHE 103 124.683 0.694 -6.562 796 1HB PHE 103 HB2 PHE 103 122.452 2.369 -5.398 797 2HB PHE 103 HB1 PHE 103 122.343 0.613 -5.498 798 HD1 PHE 103 HD2 PHE 103 124.971 -0.374 -4.875 799 HD2 PHE 103 HD1 PHE 103 122.910 3.004 -3.203 800 HE1 PHE 103 HE2 PHE 103 126.322 -0.575 -2.806 801 HE2 PHE 103 HE1 PHE 103 124.262 2.802 -1.133 802 HZ PHE 103 HZ PHE 103 125.968 1.013 -0.936 803 H THR 104 HN THR 104 122.643 3.128 -8.100 804 HA THR 104 HA THR 104 120.975 1.272 -9.549 805 HB THR 104 HB THR 104 121.628 4.027 -10.564 806 HG1 THR 104 HG1 THR 104 120.016 3.355 -8.331 807 1HG2 THR 104 HG23 THR 104 119.162 2.278 -10.437 808 2HG2 THR 104 HG22 THR 104 119.129 3.961 -10.963 809 3HG2 THR 104 HG21 THR 104 120.054 2.770 -11.877 810 H ALA 105 HN ALA 105 124.110 2.752 -10.162 811 HA ALA 105 HA ALA 105 124.264 2.035 -12.956 812 1HB ALA 105 HB1 ALA 105 125.696 3.757 -11.718 813 2HB ALA 105 HB3 ALA 105 126.613 2.390 -11.084 814 3HB ALA 105 HB2 ALA 105 126.558 2.684 -12.822 815 H PHE 106 HN PHE 106 125.314 0.462 -9.947 816 HA PHE 106 HA PHE 106 126.143 -1.927 -11.527 817 1HB PHE 106 HB2 PHE 106 126.600 -1.299 -8.594 818 2HB PHE 106 HB1 PHE 106 127.290 -2.654 -9.490 819 HD1 PHE 106 HD2 PHE 106 128.465 -1.879 -11.807 820 HD2 PHE 106 HD1 PHE 106 127.972 0.558 -8.305 821 HE1 PHE 106 HE2 PHE 106 130.345 -0.440 -12.545 822 HE2 PHE 106 HE1 PHE 106 129.851 1.998 -9.042 823 HZ PHE 106 HZ PHE 106 131.038 1.498 -11.162 824 H LYS 107 HN LYS 107 123.342 -1.287 -11.164 825 HA LYS 107 HA LYS 107 122.290 -2.982 -9.032 826 1HB LYS 107 HB2 LYS 107 121.109 -0.950 -9.972 827 2HB LYS 107 HB1 LYS 107 120.812 -1.884 -11.439 828 1HG LYS 107 HG2 LYS 107 119.669 -3.620 -10.059 829 2HG LYS 107 HG1 LYS 107 119.885 -2.594 -8.640 830 1HD LYS 107 HD2 LYS 107 118.665 -0.765 -9.922 831 2HD LYS 107 HD1 LYS 107 118.253 -1.996 -11.117 832 1HE LYS 107 HE2 LYS 107 117.388 -3.359 -9.073 833 2HE LYS 107 HE1 LYS 107 117.395 -1.807 -8.236 834 1HZ LYS 107 HZ3 LYS 107 116.046 -0.924 -10.103 835 2HZ LYS 107 HZ2 LYS 107 115.921 -2.503 -10.716 836 3HZ LYS 107 HZ1 LYS 107 115.258 -2.121 -9.198 837 H ASP 108 HN ASP 108 123.045 -3.335 -12.444 838 HA ASP 108 HA ASP 108 121.795 -6.033 -12.485 839 1HB ASP 108 HB2 ASP 108 122.848 -4.174 -14.612 840 2HB ASP 108 HB1 ASP 108 122.582 -5.883 -14.959 841 H ASP 109 HN ASP 109 124.213 -5.483 -10.912 842 HA ASP 109 HA ASP 109 125.860 -7.674 -11.940 843 1HB ASP 109 HB2 ASP 109 126.795 -4.811 -11.979 844 2HB ASP 109 HB1 ASP 109 127.953 -6.114 -11.710 845 H VAL 110 HN VAL 110 124.886 -8.336 -9.805 846 HA VAL 110 HA VAL 110 126.832 -7.882 -7.667 847 HB VAL 110 HB VAL 110 125.321 -5.952 -7.371 848 1HG1 VAL 110 HG11 VAL 110 123.349 -7.297 -8.416 849 2HG1 VAL 110 HG13 VAL 110 123.080 -7.871 -6.770 850 3HG1 VAL 110 HG12 VAL 110 122.995 -6.146 -7.127 851 1HG2 VAL 110 HG21 VAL 110 125.004 -8.149 -5.302 852 2HG2 VAL 110 HG23 VAL 110 126.276 -6.927 -5.355 853 3HG2 VAL 110 HG22 VAL 110 124.611 -6.454 -5.018 854 H ASP 111 HN ASP 111 126.891 -9.637 -6.280 855 HA ASP 111 HA ASP 111 124.753 -11.702 -6.631 856 1HB ASP 111 HB2 ASP 111 126.560 -13.403 -6.261 857 2HB ASP 111 HB1 ASP 111 126.776 -12.473 -7.744 858 H THR 112 HN THR 112 127.247 -10.375 -4.465 859 HA THR 112 HA THR 112 125.891 -11.659 -2.149 860 HB THR 112 HB THR 112 128.455 -10.049 -2.126 861 HG1 THR 112 HG1 THR 112 129.152 -11.658 -3.290 862 1HG2 THR 112 HG22 THR 112 127.286 -12.147 -0.276 863 2HG2 THR 112 HG21 THR 112 128.869 -11.393 -0.081 864 3HG2 THR 112 HG23 THR 112 127.406 -10.418 0.055 865 H LEU 113 HN LEU 113 124.271 -10.441 -1.308 866 HA LEU 113 HA LEU 113 124.480 -7.474 -1.426 867 1HB LEU 113 HB2 LEU 113 122.190 -9.390 -0.978 868 2HB LEU 113 HB1 LEU 113 122.039 -7.673 -0.601 869 HG LEU 113 HG LEU 113 123.090 -8.529 -3.286 870 1HD1 LEU 113 HD12 LEU 113 120.975 -9.761 -2.956 871 2HD1 LEU 113 HD11 LEU 113 120.167 -8.257 -2.514 872 3HD1 LEU 113 HD13 LEU 113 120.780 -8.480 -4.153 873 1HD2 LEU 113 HD21 LEU 113 121.696 -6.118 -2.109 874 2HD2 LEU 113 HD23 LEU 113 123.281 -6.194 -2.879 875 3HD2 LEU 113 HD22 LEU 113 121.818 -6.357 -3.852 876 H LEU 114 HN LEU 114 125.842 -6.998 0.317 877 HA LEU 114 HA LEU 114 125.267 -8.169 2.969 878 1HB LEU 114 HB2 LEU 114 127.355 -6.135 2.123 879 2HB LEU 114 HB1 LEU 114 127.275 -6.942 3.689 880 HG LEU 114 HG LEU 114 127.330 -8.619 1.207 881 1HD1 LEU 114 HD11 LEU 114 129.739 -7.304 2.500 882 2HD1 LEU 114 HD13 LEU 114 129.820 -8.606 1.314 883 3HD1 LEU 114 HD12 LEU 114 129.162 -7.036 0.856 884 1HD2 LEU 114 HD21 LEU 114 128.356 -8.879 4.050 885 2HD2 LEU 114 HD23 LEU 114 126.997 -9.740 3.328 886 3HD2 LEU 114 HD22 LEU 114 128.642 -10.083 2.793 887 H VAL 115 HN VAL 115 123.964 -7.160 4.422 888 HA VAL 115 HA VAL 115 123.714 -4.207 4.341 889 HB VAL 115 HB VAL 115 121.899 -5.059 2.899 890 1HG1 VAL 115 HG12 VAL 115 121.763 -7.300 4.067 891 2HG1 VAL 115 HG11 VAL 115 120.877 -6.495 5.361 892 3HG1 VAL 115 HG13 VAL 115 120.203 -6.549 3.733 893 1HG2 VAL 115 HG23 VAL 115 121.606 -3.087 4.522 894 2HG2 VAL 115 HG22 VAL 115 120.128 -3.828 3.908 895 3HG2 VAL 115 HG21 VAL 115 120.692 -4.204 5.536 896 H THR 116 HN THR 116 123.088 -3.315 6.359 897 HA THR 116 HA THR 116 123.190 -5.246 8.637 898 HB THR 116 HB THR 116 123.697 -2.265 8.774 899 HG1 THR 116 HG1 THR 116 125.900 -2.846 8.651 900 1HG2 THR 116 HG21 THR 116 124.372 -4.621 10.555 901 2HG2 THR 116 HG23 THR 116 124.973 -2.983 10.813 902 3HG2 THR 116 HG22 THR 116 123.244 -3.313 10.911 903 H ARG 117 HN ARG 117 121.073 -5.698 9.131 904 HA ARG 117 HA ARG 117 118.986 -3.656 8.915 905 1HB ARG 117 HB2 ARG 117 119.091 -6.554 9.682 906 2HB ARG 117 HB1 ARG 117 117.681 -5.599 10.146 907 1HG ARG 117 HG2 ARG 117 117.080 -6.432 8.030 908 2HG ARG 117 HG1 ARG 117 117.678 -4.813 7.666 909 1HD ARG 117 HD2 ARG 117 119.627 -5.597 6.700 910 2HD ARG 117 HD1 ARG 117 119.646 -7.064 7.678 911 HE ARG 117 HE ARG 117 118.363 -8.122 6.014 912 1HH1 ARG 117 HH21 ARG 117 118.172 -4.649 5.643 913 2HH1 ARG 117 HH22 ARG 117 117.295 -4.756 4.157 914 1HH2 ARG 117 HH11 ARG 117 117.228 -8.214 4.089 915 2HH2 ARG 117 HH12 ARG 117 116.764 -6.751 3.285 916 H LEU 118 HN LEU 118 118.519 -2.225 10.496 917 HA LEU 118 HA LEU 118 119.598 -2.713 13.227 918 1HB LEU 118 HB2 LEU 118 118.923 -0.302 11.616 919 2HB LEU 118 HB1 LEU 118 118.643 -0.191 13.354 920 HG LEU 118 HG LEU 118 121.048 -1.233 13.529 921 1HD1 LEU 118 HD13 LEU 118 121.094 -1.581 10.999 922 2HD1 LEU 118 HD12 LEU 118 121.263 0.168 10.855 923 3HD1 LEU 118 HD11 LEU 118 122.502 -0.772 11.686 924 1HD2 LEU 118 HD21 LEU 118 120.291 1.092 14.190 925 2HD2 LEU 118 HD23 LEU 118 121.972 0.995 13.664 926 3HD2 LEU 118 HD22 LEU 118 120.742 1.628 12.571 927 H ALA 119 HN ALA 119 118.071 -1.712 14.995 928 HA ALA 119 HA ALA 119 115.331 -2.800 14.498 929 1HB ALA 119 HB1 ALA 119 116.790 -3.837 16.321 930 2HB ALA 119 HB3 ALA 119 116.623 -2.311 17.192 931 3HB ALA 119 HB2 ALA 119 115.196 -3.286 16.839 932 H GLY 120 HN GLY 120 117.123 -0.106 15.973 933 1HA GLY 120 HA2 GLY 120 114.847 1.396 16.834 934 2HA GLY 120 HA1 GLY 120 116.441 2.076 16.500 935 H SER 121 HN SER 121 113.600 2.937 15.762 936 HA SER 121 HA SER 121 113.649 2.807 12.816 937 1HB SER 121 HB2 SER 121 111.563 4.219 13.045 938 2HB SER 121 HB1 SER 121 111.472 2.651 13.841 939 HG SER 121 HG SER 121 110.810 4.056 15.363 940 H PHE 122 HN PHE 122 113.871 4.682 11.483 941 HA PHE 122 HA PHE 122 114.682 7.221 12.761 942 1HB PHE 122 HB2 PHE 122 116.500 5.716 10.854 943 2HB PHE 122 HB1 PHE 122 116.801 7.324 11.513 944 HD1 PHE 122 HD1 PHE 122 117.288 7.636 13.915 945 HD2 PHE 122 HD2 PHE 122 116.763 3.727 12.214 946 HE1 PHE 122 HE1 PHE 122 118.304 6.621 15.935 947 HE2 PHE 122 HE2 PHE 122 117.778 2.711 14.236 948 HZ PHE 122 HZ PHE 122 118.549 4.158 16.097 949 H GLU 123 HN GLU 123 114.418 9.005 11.361 950 HA GLU 123 HA GLU 123 113.161 8.357 8.722 951 1HB GLU 123 HB2 GLU 123 111.927 10.523 9.007 952 2HB GLU 123 HB1 GLU 123 111.521 9.325 10.237 953 1HG GLU 123 HG2 GLU 123 112.963 10.387 11.852 954 2HG GLU 123 HG1 GLU 123 113.620 11.474 10.627 955 H GLY 124 HN GLY 124 113.915 9.476 6.930 956 1HA GLY 124 HA2 GLY 124 115.625 11.828 7.189 957 2HA GLY 124 HA1 GLY 124 116.509 10.379 6.708 958 H ASP 125 HN ASP 125 116.948 11.346 4.626 959 HA ASP 125 HA ASP 125 114.563 11.390 2.818 960 1HB ASP 125 HB2 ASP 125 117.010 13.143 2.916 961 2HB ASP 125 HB1 ASP 125 116.125 12.930 1.406 962 H THR 126 HN THR 126 118.029 10.640 3.094 963 HA THR 126 HA THR 126 118.176 9.351 0.496 964 HB THR 126 HB THR 126 120.059 8.776 2.776 965 HG1 THR 126 HG1 THR 126 120.942 10.724 2.569 966 1HG2 THR 126 HG23 THR 126 120.101 7.822 0.312 967 2HG2 THR 126 HG22 THR 126 120.805 9.396 -0.059 968 3HG2 THR 126 HG21 THR 126 121.599 8.326 1.097 969 H LYS 127 HN LYS 127 117.481 7.333 0.006 970 HA LYS 127 HA LYS 127 117.226 5.337 2.214 971 1HB LYS 127 HB2 LYS 127 115.181 6.087 0.118 972 2HB LYS 127 HB1 LYS 127 115.133 4.534 0.954 973 1HG LYS 127 HG2 LYS 127 115.095 5.737 3.132 974 2HG LYS 127 HG1 LYS 127 115.049 7.270 2.260 975 1HD LYS 127 HD2 LYS 127 112.974 6.282 1.056 976 2HD LYS 127 HD1 LYS 127 112.945 5.114 2.377 977 1HE LYS 127 HE2 LYS 127 111.582 6.796 3.237 978 2HE LYS 127 HE1 LYS 127 113.153 7.264 3.888 979 1HZ LYS 127 HZ1 LYS 127 111.968 8.309 1.373 980 2HZ LYS 127 HZ3 LYS 127 111.974 9.127 2.859 981 3HZ LYS 127 HZ2 LYS 127 113.441 8.795 2.068 982 H MET 128 HN MET 128 117.022 3.066 1.277 983 HA MET 128 HA MET 128 119.071 2.729 -0.804 984 1HB MET 128 HB2 MET 128 118.888 1.285 1.286 985 2HB MET 128 HB1 MET 128 117.450 0.566 0.561 986 1HG MET 128 HG2 MET 128 119.315 -0.849 -0.010 987 2HG MET 128 HG1 MET 128 118.860 0.027 -1.471 988 1HE MET 128 HE1 MET 128 121.188 -1.486 -1.226 989 2HE MET 128 HE3 MET 128 121.616 -0.390 -2.547 990 3HE MET 128 HE2 MET 128 122.739 -0.649 -1.214 991 H ILE 129 HN ILE 129 118.702 1.731 -2.832 992 HA ILE 129 HA ILE 129 116.171 2.288 -4.075 993 HB ILE 129 HB ILE 129 117.128 1.007 -6.005 994 1HG1 ILE 129 HG12 ILE 129 119.610 0.691 -4.314 995 2HG1 ILE 129 HG11 ILE 129 118.380 -0.572 -4.367 996 1HG2 ILE 129 HG22 ILE 129 117.672 3.437 -5.483 997 2HG2 ILE 129 HG21 ILE 129 119.174 2.860 -4.760 998 3HG2 ILE 129 HG23 ILE 129 118.864 2.596 -6.475 999 1HD1 ILE 129 HD12 ILE 129 119.719 0.599 -6.822 1000 2HD1 ILE 129 HD11 ILE 129 120.214 -0.906 -6.045 1001 3HD1 ILE 129 HD13 ILE 129 118.614 -0.776 -6.775 1002 HA PRO 130 HA PRO 130 113.953 -1.511 -3.408 1003 1HB PRO 130 HB2 PRO 130 112.621 -1.682 -5.861 1004 2HB PRO 130 HB1 PRO 130 112.097 -0.732 -4.464 1005 1HG PRO 130 HG2 PRO 130 113.046 0.216 -6.995 1006 2HG PRO 130 HG1 PRO 130 112.487 1.161 -5.608 1007 1HD PRO 130 HD2 PRO 130 115.222 0.652 -6.503 1008 2HD PRO 130 HD1 PRO 130 114.630 1.844 -5.336 1009 H LEU 131 HN LEU 131 115.474 -3.198 -3.382 1010 HA LEU 131 HA LEU 131 116.357 -4.316 -5.995 1011 1HB LEU 131 HB2 LEU 131 117.284 -4.834 -3.154 1012 2HB LEU 131 HB1 LEU 131 117.915 -5.676 -4.570 1013 HG LEU 131 HG LEU 131 117.873 -2.682 -4.595 1014 1HD1 LEU 131 HD12 LEU 131 118.845 -3.492 -2.374 1015 2HD1 LEU 131 HD11 LEU 131 120.117 -4.264 -3.322 1016 3HD1 LEU 131 HD13 LEU 131 119.920 -2.512 -3.371 1017 1HD2 LEU 131 HD22 LEU 131 119.527 -4.914 -5.776 1018 2HD2 LEU 131 HD21 LEU 131 118.618 -3.658 -6.617 1019 3HD2 LEU 131 HD23 LEU 131 120.113 -3.251 -5.773 1020 H ASN 132 HN ASN 132 116.221 -6.682 -6.280 1021 HA ASN 132 HA ASN 132 113.636 -7.707 -5.325 1022 1HB ASN 132 HB2 ASN 132 114.611 -7.972 -7.705 1023 2HB ASN 132 HB1 ASN 132 115.631 -9.229 -7.004 1024 1HD2 ASN 132 HD22 ASN 132 111.717 -9.997 -7.726 1025 2HD2 ASN 132 HD21 ASN 132 112.410 -8.497 -8.111 1026 H TRP 133 HN TRP 133 113.412 -9.072 -3.623 1027 HA TRP 133 HA TRP 133 115.890 -10.223 -2.423 1028 1HB TRP 133 HB2 TRP 133 113.142 -9.757 -1.225 1029 2HB TRP 133 HB1 TRP 133 114.511 -10.465 -0.367 1030 HD1 TRP 133 HD1 TRP 133 113.112 -7.180 -1.583 1031 HE1 TRP 133 HE1 TRP 133 114.606 -5.250 -0.751 1032 HE3 TRP 133 HE3 TRP 133 117.056 -9.849 0.260 1033 HZ2 TRP 133 HZ2 TRP 133 117.140 -4.887 0.527 1034 HZ3 TRP 133 HZ3 TRP 133 118.994 -8.688 1.278 1035 HH2 TRP 133 HH2 TRP 133 119.041 -6.212 1.413 1036 H ASP 134 HN ASP 134 112.805 -11.052 -3.854 1037 HA ASP 134 HA ASP 134 112.526 -13.721 -2.921 1038 1HB ASP 134 HB2 ASP 134 111.786 -12.626 -5.652 1039 2HB ASP 134 HB1 ASP 134 111.124 -14.077 -4.897 1040 H ASP 135 HN ASP 135 114.692 -12.336 -5.294 1041 HA ASP 135 HA ASP 135 115.501 -15.034 -6.237 1042 1HB ASP 135 HB2 ASP 135 116.107 -12.223 -7.165 1043 2HB ASP 135 HB1 ASP 135 117.026 -13.609 -7.753 1044 H PHE 136 HN PHE 136 116.075 -14.297 -3.505 1045 HA PHE 136 HA PHE 136 119.007 -14.647 -3.567 1046 1HB PHE 136 HB2 PHE 136 117.606 -12.312 -2.251 1047 2HB PHE 136 HB1 PHE 136 119.198 -12.863 -1.728 1048 HD1 PHE 136 HD1 PHE 136 121.150 -12.683 -3.205 1049 HD2 PHE 136 HD2 PHE 136 117.284 -11.271 -4.431 1050 HE1 PHE 136 HE1 PHE 136 122.199 -11.437 -5.073 1051 HE2 PHE 136 HE2 PHE 136 118.333 -10.024 -6.301 1052 HZ PHE 136 HZ PHE 136 120.791 -10.106 -6.622 1053 H THR 137 HN THR 137 119.817 -15.435 -1.479 1054 HA THR 137 HA THR 137 117.695 -16.355 0.402 1055 HB THR 137 HB THR 137 119.963 -18.187 -0.331 1056 HG1 THR 137 HG1 THR 137 118.553 -19.093 -1.892 1057 1HG2 THR 137 HG22 THR 137 117.175 -18.470 0.798 1058 2HG2 THR 137 HG21 THR 137 118.106 -19.856 0.229 1059 3HG2 THR 137 HG23 THR 137 118.707 -18.880 1.569 1060 H LYS 138 HN LYS 138 118.413 -16.574 2.563 1061 HA LYS 138 HA LYS 138 120.841 -15.039 3.200 1062 1HB LYS 138 HB2 LYS 138 118.501 -15.030 4.425 1063 2HB LYS 138 HB1 LYS 138 119.167 -16.427 5.270 1064 1HG LYS 138 HG2 LYS 138 120.831 -15.186 6.301 1065 2HG LYS 138 HG1 LYS 138 120.864 -13.974 5.020 1066 1HD LYS 138 HD2 LYS 138 119.839 -12.920 6.912 1067 2HD LYS 138 HD1 LYS 138 118.535 -13.281 5.781 1068 1HE LYS 138 HE2 LYS 138 118.081 -15.390 7.039 1069 2HE LYS 138 HE1 LYS 138 119.310 -14.919 8.213 1070 1HZ LYS 138 HZ3 LYS 138 116.923 -13.292 7.533 1071 2HZ LYS 138 HZ2 LYS 138 117.038 -14.310 8.887 1072 3HZ LYS 138 HZ1 LYS 138 118.061 -12.962 8.746 1073 H VAL 139 HN VAL 139 122.773 -16.058 3.328 1074 HA VAL 139 HA VAL 139 122.812 -18.968 3.985 1075 HB VAL 139 HB VAL 139 125.023 -17.259 2.805 1076 1HG1 VAL 139 HG13 VAL 139 125.650 -19.386 4.019 1077 2HG1 VAL 139 HG12 VAL 139 124.672 -20.269 2.845 1078 3HG1 VAL 139 HG11 VAL 139 126.091 -19.368 2.311 1079 1HG2 VAL 139 HG23 VAL 139 122.930 -19.026 1.504 1080 2HG2 VAL 139 HG22 VAL 139 123.200 -17.305 1.224 1081 3HG2 VAL 139 HG21 VAL 139 124.391 -18.486 0.678 1082 H SER 140 HN SER 140 124.153 -15.828 4.914 1083 HA SER 140 HA SER 140 125.120 -17.099 7.442 1084 1HB SER 140 HB2 SER 140 127.012 -16.485 5.918 1085 2HB SER 140 HB1 SER 140 126.463 -14.812 5.968 1086 HG SER 140 HG SER 140 126.744 -14.901 8.251 1087 H SER 141 HN SER 141 124.969 -15.735 9.318 1088 HA SER 141 HA SER 141 123.783 -13.072 9.115 1089 1HB SER 141 HB2 SER 141 121.760 -14.391 8.814 1090 2HB SER 141 HB1 SER 141 122.165 -15.396 10.202 1091 HG SER 141 HG SER 141 121.292 -12.729 10.090 1092 H ARG 142 HN ARG 142 124.082 -11.922 11.039 1093 HA ARG 142 HA ARG 142 125.012 -13.429 13.431 1094 1HB ARG 142 HB2 ARG 142 126.960 -12.604 11.946 1095 2HB ARG 142 HB1 ARG 142 126.496 -10.983 12.466 1096 1HG ARG 142 HG2 ARG 142 126.795 -11.607 14.808 1097 2HG ARG 142 HG1 ARG 142 127.155 -13.270 14.346 1098 1HD ARG 142 HD2 ARG 142 128.871 -11.455 12.885 1099 2HD ARG 142 HD1 ARG 142 128.991 -11.139 14.615 1100 HE ARG 142 HE ARG 142 129.131 -13.925 14.345 1101 1HH1 ARG 142 HH11 ARG 142 130.943 -11.147 13.234 1102 2HH1 ARG 142 HH12 ARG 142 132.435 -12.018 13.177 1103 1HH2 ARG 142 HH21 ARG 142 131.085 -15.013 14.258 1104 2HH2 ARG 142 HH22 ARG 142 132.518 -14.182 13.750 1105 H THR 143 HN THR 143 123.696 -12.754 15.043 1106 HA THR 143 HA THR 143 122.417 -10.097 14.900 1107 HB THR 143 HB THR 143 122.129 -12.193 17.069 1108 HG1 THR 143 HG1 THR 143 120.420 -12.971 15.862 1109 1HG2 THR 143 HG23 THR 143 121.315 -9.746 17.328 1110 2HG2 THR 143 HG22 THR 143 120.093 -10.178 16.132 1111 3HG2 THR 143 HG21 THR 143 120.164 -11.039 17.670 1112 H VAL 144 HN VAL 144 123.075 -8.364 16.100 1113 HA VAL 144 HA VAL 144 124.978 -8.843 18.351 1114 HB VAL 144 HB VAL 144 125.269 -6.650 16.276 1115 1HG1 VAL 144 HG11 VAL 144 126.972 -7.563 18.612 1116 2HG1 VAL 144 HG13 VAL 144 127.520 -6.425 17.381 1117 3HG1 VAL 144 HG12 VAL 144 126.168 -6.004 18.431 1118 1HG2 VAL 144 HG23 VAL 144 126.489 -9.387 16.542 1119 2HG2 VAL 144 HG22 VAL 144 125.904 -8.569 15.093 1120 3HG2 VAL 144 HG21 VAL 144 127.430 -8.077 15.828 1121 H GLU 145 HN GLU 145 124.287 -7.831 20.164 1122 HA GLU 145 HA GLU 145 122.234 -5.684 19.881 1123 1HB GLU 145 HB2 GLU 145 121.712 -7.786 21.221 1124 2HB GLU 145 HB1 GLU 145 122.922 -7.243 22.383 1125 1HG GLU 145 HG2 GLU 145 121.659 -5.057 22.538 1126 2HG GLU 145 HG1 GLU 145 120.383 -5.805 21.576 1127 H ASP 146 HN ASP 146 122.700 -3.644 20.600 1128 HA ASP 146 HA ASP 146 125.427 -3.161 21.660 1129 1HB ASP 146 HB2 ASP 146 124.020 -1.850 19.740 1130 2HB ASP 146 HB1 ASP 146 123.599 -0.878 21.150 1131 H THR 147 HN THR 147 125.001 -0.804 23.078 1132 HA THR 147 HA THR 147 124.203 -1.772 25.647 1133 HB THR 147 HB THR 147 124.127 0.796 26.149 1134 HG1 THR 147 HG1 THR 147 124.778 2.071 24.562 1135 1HG2 THR 147 HG21 THR 147 126.573 -0.697 25.176 1136 2HG2 THR 147 HG23 THR 147 126.657 0.864 25.992 1137 3HG2 THR 147 HG22 THR 147 126.001 -0.538 26.837 1138 H ASN 148 HN ASN 148 122.521 0.293 23.279 1139 HA ASN 148 HA ASN 148 120.030 0.020 24.900 1140 1HB ASN 148 HB2 ASN 148 120.880 1.972 22.750 1141 2HB ASN 148 HB1 ASN 148 119.210 1.849 23.302 1142 1HD2 ASN 148 HD22 ASN 148 121.474 4.246 25.380 1143 2HD2 ASN 148 HD21 ASN 148 121.550 3.934 23.713 1144 HA PRO 149 HA PRO 149 118.132 -2.531 21.793 1145 1HB PRO 149 HB2 PRO 149 115.529 -1.466 21.874 1146 2HB PRO 149 HB1 PRO 149 116.171 -2.746 22.911 1147 1HG PRO 149 HG2 PRO 149 115.433 -0.091 23.651 1148 2HG PRO 149 HG1 PRO 149 116.092 -1.368 24.681 1149 1HD PRO 149 HD2 PRO 149 117.438 0.975 23.567 1150 2HD PRO 149 HD1 PRO 149 117.972 -0.117 24.856 1151 H ALA 150 HN ALA 150 117.714 0.945 21.476 1152 HA ALA 150 HA ALA 150 116.673 0.879 18.770 1153 1HB ALA 150 HB2 ALA 150 117.925 3.041 20.471 1154 2HB ALA 150 HB1 ALA 150 117.423 3.332 18.805 1155 3HB ALA 150 HB3 ALA 150 116.230 2.860 20.016 1156 H LEU 151 HN LEU 151 119.865 0.713 20.179 1157 HA LEU 151 HA LEU 151 121.142 1.247 17.553 1158 1HB LEU 151 HB2 LEU 151 122.243 0.866 20.347 1159 2HB LEU 151 HB1 LEU 151 123.272 0.997 18.920 1160 HG LEU 151 HG LEU 151 121.165 3.070 19.532 1161 1HD1 LEU 151 HD13 LEU 151 122.871 2.700 21.438 1162 2HD1 LEU 151 HD12 LEU 151 124.071 3.327 20.309 1163 3HD1 LEU 151 HD11 LEU 151 122.712 4.337 20.803 1164 1HD2 LEU 151 HD22 LEU 151 123.625 2.865 17.794 1165 2HD2 LEU 151 HD21 LEU 151 121.979 3.291 17.323 1166 3HD2 LEU 151 HD23 LEU 151 122.958 4.435 18.242 1167 H THR 152 HN THR 152 119.530 -1.211 18.119 1168 HA THR 152 HA THR 152 121.526 -3.371 18.253 1169 HB THR 152 HB THR 152 118.576 -3.606 17.606 1170 HG1 THR 152 HG1 THR 152 119.825 -3.749 20.144 1171 1HG2 THR 152 HG23 THR 152 120.334 -5.525 17.322 1172 2HG2 THR 152 HG22 THR 152 120.280 -5.591 19.084 1173 3HG2 THR 152 HG21 THR 152 118.812 -5.868 18.145 1174 H HIS 153 HN HIS 153 122.219 -4.580 16.484 1175 HA HIS 153 HA HIS 153 121.012 -3.992 13.829 1176 1HB HIS 153 HB2 HIS 153 123.313 -3.746 12.860 1177 2HB HIS 153 HB1 HIS 153 122.880 -2.445 13.970 1178 HD1 HIS 153 HD1 HIS 153 123.875 -2.658 16.457 1179 HD2 HIS 153 HD2 HIS 153 125.558 -5.216 13.627 1180 HE1 HIS 153 HE1 HIS 153 126.034 -3.520 17.464 1181 H THR 154 HN THR 154 121.537 -5.629 12.222 1182 HA THR 154 HA THR 154 122.741 -8.130 13.307 1183 HB THR 154 HB THR 154 120.157 -8.066 11.724 1184 HG1 THR 154 HG1 THR 154 119.187 -8.547 13.712 1185 1HG2 THR 154 HG23 THR 154 121.865 -10.196 12.977 1186 2HG2 THR 154 HG22 THR 154 120.128 -10.451 12.810 1187 3HG2 THR 154 HG21 THR 154 121.120 -10.166 11.379 1188 H TYR 155 HN TYR 155 124.437 -8.480 11.960 1189 HA TYR 155 HA TYR 155 124.577 -7.435 9.271 1190 1HB TYR 155 HB2 TYR 155 126.244 -9.588 10.612 1191 2HB TYR 155 HB1 TYR 155 126.654 -8.765 9.106 1192 HD1 TYR 155 HD2 TYR 155 126.586 -6.106 9.247 1193 HD2 TYR 155 HD1 TYR 155 127.108 -8.735 12.602 1194 HE1 TYR 155 HE2 TYR 155 127.619 -4.255 10.536 1195 HE2 TYR 155 HE1 TYR 155 128.142 -6.886 13.892 1196 HH TYR 155 HH TYR 155 127.892 -3.698 13.051 1197 H GLU 156 HN GLU 156 123.169 -8.219 7.765 1198 HA GLU 156 HA GLU 156 122.710 -11.170 7.666 1199 1HB GLU 156 HB2 GLU 156 121.112 -8.894 6.450 1200 2HB GLU 156 HB1 GLU 156 120.711 -10.606 6.312 1201 1HG GLU 156 HG2 GLU 156 120.769 -10.633 8.896 1202 2HG GLU 156 HG1 GLU 156 120.697 -8.874 8.783 1203 H VAL 157 HN VAL 157 123.409 -12.299 5.894 1204 HA VAL 157 HA VAL 157 124.586 -10.710 3.647 1205 HB VAL 157 HB VAL 157 125.379 -13.491 4.563 1206 1HG1 VAL 157 HG11 VAL 157 126.317 -11.585 2.435 1207 2HG1 VAL 157 HG13 VAL 157 127.461 -12.712 3.164 1208 3HG1 VAL 157 HG12 VAL 157 126.035 -13.322 2.325 1209 1HG2 VAL 157 HG23 VAL 157 126.458 -10.746 5.209 1210 2HG2 VAL 157 HG22 VAL 157 126.083 -12.067 6.316 1211 3HG2 VAL 157 HG21 VAL 157 127.498 -12.169 5.268 1212 H TRP 158 HN TRP 158 123.117 -10.784 2.004 1213 HA TRP 158 HA TRP 158 121.602 -13.302 1.537 1214 1HB TRP 158 HB2 TRP 158 121.273 -10.517 0.381 1215 2HB TRP 158 HB1 TRP 158 120.256 -11.897 -0.029 1216 HD1 TRP 158 HD1 TRP 158 121.393 -10.029 3.167 1217 HE1 TRP 158 HE1 TRP 158 119.418 -10.009 4.825 1218 HE3 TRP 158 HE3 TRP 158 117.980 -12.740 0.506 1219 HZ2 TRP 158 HZ2 TRP 158 116.743 -11.010 4.997 1220 HZ3 TRP 158 HZ3 TRP 158 115.729 -13.192 1.439 1221 HH2 TRP 158 HH2 TRP 158 115.107 -12.330 3.680 1222 H GLN 159 HN GLN 159 122.479 -14.690 0.095 1223 HA GLN 159 HA GLN 159 124.276 -13.605 -2.025 1224 1HB GLN 159 HB2 GLN 159 123.987 -16.357 -0.797 1225 2HB GLN 159 HB1 GLN 159 124.947 -16.057 -2.246 1226 1HG GLN 159 HG2 GLN 159 126.342 -14.455 -1.035 1227 2HG GLN 159 HG1 GLN 159 125.346 -14.648 0.409 1228 1HE2 GLN 159 HE22 GLN 159 127.466 -17.240 1.489 1229 2HE2 GLN 159 HE21 GLN 159 126.648 -15.800 1.864 1230 H LYS 160 HN LYS 160 124.101 -14.720 -4.179 1231 HA LYS 160 HA LYS 160 121.339 -14.736 -5.074 1232 1HB LYS 160 HB2 LYS 160 123.373 -13.999 -6.431 1233 2HB LYS 160 HB1 LYS 160 123.744 -15.712 -6.629 1234 1HG LYS 160 HG2 LYS 160 121.395 -16.016 -7.529 1235 2HG LYS 160 HG1 LYS 160 121.251 -14.258 -7.542 1236 1HD LYS 160 HD2 LYS 160 123.478 -14.313 -8.888 1237 2HD LYS 160 HD1 LYS 160 123.079 -16.006 -9.175 1238 1HE LYS 160 HE2 LYS 160 120.748 -15.107 -9.889 1239 2HE LYS 160 HE1 LYS 160 121.560 -13.547 -10.023 1240 1HZ LYS 160 HZ3 LYS 160 123.225 -14.679 -11.462 1241 2HZ LYS 160 HZ2 LYS 160 122.229 -16.055 -11.458 1242 3HZ LYS 160 HZ1 LYS 160 121.668 -14.599 -12.130 1243 H LYS 161 HN LYS 161 120.218 -16.562 -5.999 1244 HA LYS 161 HA LYS 161 120.532 -19.012 -4.516 1245 1HB LYS 161 HB2 LYS 161 118.809 -18.096 -6.793 1246 2HB LYS 161 HB1 LYS 161 118.897 -19.821 -6.433 1247 1HG LYS 161 HG2 LYS 161 118.439 -19.133 -3.981 1248 2HG LYS 161 HG1 LYS 161 117.931 -17.585 -4.656 1249 1HD LYS 161 HD2 LYS 161 116.148 -18.551 -5.853 1250 2HD LYS 161 HD1 LYS 161 116.834 -20.171 -5.745 1251 1HE LYS 161 HE2 LYS 161 116.501 -20.034 -3.235 1252 2HE LYS 161 HE1 LYS 161 115.582 -18.553 -3.513 1253 1HZ LYS 161 HZ3 LYS 161 114.961 -21.148 -4.811 1254 2HZ LYS 161 HZ2 LYS 161 114.213 -20.602 -3.387 1255 3HZ LYS 161 HZ1 LYS 161 114.021 -19.736 -4.836 1256 H ALA 162 HN ALA 162 120.741 -18.530 -8.062 1257 HA ALA 162 HA ALA 162 122.353 -20.966 -8.328 1258 1HB ALA 162 HB3 ALA 162 120.596 -20.012 -10.005 1259 2HB ALA 162 HB2 ALA 162 121.907 -18.953 -10.525 1260 3HB ALA 162 HB1 ALA 162 122.085 -20.704 -10.649 1261 1HN2 MTX 170 1HN2 MTX 170 127.093 -1.285 7.838 1262 2HN2 MTX 170 2HN2 MTX 170 127.164 -1.823 6.229 1263 1HN4 MTX 170 1HN4 MTX 170 128.342 1.119 2.723 1264 2HN4 MTX 170 2HN4 MTX 170 128.704 2.743 3.062 1265 H7 MTX 170 H7 MTX 170 128.718 5.467 8.290 1266 1H9 MTX 170 H91 MTX 170 128.378 6.867 5.401 1267 2H9 MTX 170 H92 MTX 170 129.972 6.257 4.941 1268 1HM MTX 170 HM1 MTX 170 128.571 8.729 6.494 1269 2HM MTX 170 HM2 MTX 170 129.899 9.025 7.656 1270 3HM MTX 170 HM3 MTX 170 128.512 7.998 8.126 1271 H12 MTX 170 H13 MTX 170 132.967 6.970 10.230 1272 H13 MTX 170 H12 MTX 170 130.731 7.588 9.309 1273 H15 MTX 170 H16 MTX 170 131.849 5.874 5.483 1274 H16 MTX 170 H15 MTX 170 134.080 5.263 6.416 1275 HN MTX 170 HN MTX 170 134.999 4.006 7.796 1276 HA MTX 170 HA MTX 170 137.419 5.011 9.039 1277 1HB MTX 170 HB1 MTX 170 136.612 2.351 10.176 1278 2HB MTX 170 HB2 MTX 170 135.723 3.741 10.780 1279 1HG MTX 170 HG1 MTX 170 137.673 4.750 11.690 1280 2HG MTX 170 HG2 MTX 170 138.752 3.906 10.582 1281 HN1 MTX 170 H1N MTX 170 127.573 0.917 8.373 No H/Q in entry = 1281 Start of MODEL 20 1 1H THR 1 HT3 THR 1 131.587 -9.128 -7.150 2 2H THR 1 HT2 THR 1 132.459 -8.058 -8.141 3 3H THR 1 HT1 THR 1 132.945 -8.319 -6.534 4 HA THR 1 HA THR 1 131.866 -6.250 -6.513 5 HB THR 1 HB THR 1 129.424 -6.232 -7.414 6 HG1 THR 1 HG1 THR 1 130.524 -8.387 -8.890 7 1HG2 THR 1 HG23 THR 1 131.954 -6.255 -9.039 8 2HG2 THR 1 HG22 THR 1 130.398 -5.985 -9.823 9 3HG2 THR 1 HG21 THR 1 130.954 -4.882 -8.564 10 H ALA 2 HN ALA 2 130.387 -5.648 -4.827 11 HA ALA 2 HA ALA 2 128.658 -7.649 -3.590 12 1HB ALA 2 HB3 ALA 2 131.066 -8.161 -2.815 13 2HB ALA 2 HB2 ALA 2 130.957 -6.654 -1.904 14 3HB ALA 2 HB1 ALA 2 129.839 -7.976 -1.561 15 H PHE 3 HN PHE 3 126.952 -6.491 -2.877 16 HA PHE 3 HA PHE 3 127.149 -3.588 -2.536 17 1HB PHE 3 HB2 PHE 3 124.962 -5.627 -2.562 18 2HB PHE 3 HB1 PHE 3 124.653 -4.109 -1.721 19 HD1 PHE 3 HD2 PHE 3 126.638 -4.856 -4.824 20 HD2 PHE 3 HD1 PHE 3 123.287 -2.800 -3.089 21 HE1 PHE 3 HE2 PHE 3 126.205 -3.732 -6.991 22 HE2 PHE 3 HE1 PHE 3 122.852 -1.680 -5.258 23 HZ PHE 3 HZ PHE 3 124.311 -2.146 -7.210 24 H LEU 4 HN LEU 4 127.125 -2.484 -0.580 25 HA LEU 4 HA LEU 4 126.699 -4.008 1.928 26 1HB LEU 4 HB2 LEU 4 129.148 -4.125 1.399 27 2HB LEU 4 HB1 LEU 4 129.199 -2.362 1.439 28 HG LEU 4 HG LEU 4 128.078 -2.668 3.800 29 1HD1 LEU 4 HD11 LEU 4 129.149 -5.387 3.112 30 2HD1 LEU 4 HD13 LEU 4 129.238 -4.826 4.781 31 3HD1 LEU 4 HD12 LEU 4 127.674 -4.957 3.978 32 1HD2 LEU 4 HD22 LEU 4 130.996 -3.330 3.282 33 2HD2 LEU 4 HD21 LEU 4 130.317 -1.706 3.397 34 3HD2 LEU 4 HD23 LEU 4 130.334 -2.759 4.813 35 H TRP 5 HN TRP 5 125.144 -2.788 2.902 36 HA TRP 5 HA TRP 5 125.685 0.064 3.370 37 1HB TRP 5 HB2 TRP 5 123.616 0.880 2.408 38 2HB TRP 5 HB1 TRP 5 124.478 -0.021 1.166 39 HD1 TRP 5 HD1 TRP 5 121.192 0.258 2.754 40 HE1 TRP 5 HE1 TRP 5 119.686 -1.741 2.144 41 HE3 TRP 5 HE3 TRP 5 124.676 -2.898 0.745 42 HZ2 TRP 5 HZ2 TRP 5 119.924 -4.333 0.965 43 HZ3 TRP 5 HZ3 TRP 5 124.004 -5.123 -0.109 44 HH2 TRP 5 HH2 TRP 5 121.636 -5.844 -0.004 45 H ALA 6 HN ALA 6 124.165 0.978 4.987 46 HA ALA 6 HA ALA 6 123.054 -1.178 6.739 47 1HB ALA 6 HB1 ALA 6 124.996 0.279 7.584 48 2HB ALA 6 HB3 ALA 6 123.832 1.603 7.634 49 3HB ALA 6 HB2 ALA 6 123.580 0.169 8.631 50 H GLN 7 HN GLN 7 120.887 -1.118 7.140 51 HA GLN 7 HA GLN 7 119.423 1.428 6.601 52 1HB GLN 7 HB2 GLN 7 117.580 0.064 5.606 53 2HB GLN 7 HB1 GLN 7 119.067 -0.005 4.662 54 1HG GLN 7 HG2 GLN 7 119.325 -2.224 5.023 55 2HG GLN 7 HG1 GLN 7 118.952 -2.076 6.739 56 1HE2 GLN 7 HE22 GLN 7 115.694 -3.319 6.320 57 2HE2 GLN 7 HE21 GLN 7 116.997 -3.002 7.360 58 H ASP 8 HN ASP 8 117.117 1.249 7.556 59 HA ASP 8 HA ASP 8 117.235 -0.275 10.130 60 1HB ASP 8 HB2 ASP 8 115.904 1.605 11.113 61 2HB ASP 8 HB1 ASP 8 117.508 2.105 10.578 62 H ARG 9 HN ARG 9 114.706 0.014 11.037 63 HA ARG 9 HA ARG 9 113.186 -1.818 9.486 64 1HB ARG 9 HB2 ARG 9 111.295 -1.205 10.972 65 2HB ARG 9 HB1 ARG 9 112.780 -1.487 11.881 66 1HG ARG 9 HG2 ARG 9 113.143 1.086 11.618 67 2HG ARG 9 HG1 ARG 9 111.417 1.124 11.258 68 1HD ARG 9 HD2 ARG 9 112.485 -0.288 13.703 69 2HD ARG 9 HD1 ARG 9 112.106 1.434 13.723 70 HE ARG 9 HE ARG 9 110.178 -0.714 13.780 71 1HH1 ARG 9 HH11 ARG 9 110.736 2.511 12.544 72 2HH1 ARG 9 HH12 ARG 9 109.050 2.884 12.476 73 1HH2 ARG 9 HH21 ARG 9 108.007 -0.188 13.675 74 2HH2 ARG 9 HH22 ARG 9 107.519 1.375 13.109 75 H ASP 10 HN ASP 10 113.001 1.736 9.681 76 HA ASP 10 HA ASP 10 110.730 2.045 7.970 77 1HB ASP 10 HB2 ASP 10 113.073 3.909 8.465 78 2HB ASP 10 HB1 ASP 10 111.581 4.370 7.644 79 H GLY 11 HN GLY 11 114.213 1.874 7.282 80 1HA GLY 11 HA2 GLY 11 114.893 0.735 5.180 81 2HA GLY 11 HA1 GLY 11 113.513 1.506 4.396 82 H LEU 12 HN LEU 12 115.534 3.241 6.678 83 HA LEU 12 HA LEU 12 116.305 5.101 4.500 84 1HB LEU 12 HB2 LEU 12 115.322 5.790 6.818 85 2HB LEU 12 HB1 LEU 12 116.953 5.488 7.416 86 HG LEU 12 HG LEU 12 117.652 6.979 5.349 87 1HD1 LEU 12 HD12 LEU 12 115.138 7.030 4.682 88 2HD1 LEU 12 HD11 LEU 12 114.975 8.216 5.976 89 3HD1 LEU 12 HD13 LEU 12 116.048 8.540 4.614 90 1HD2 LEU 12 HD22 LEU 12 117.664 7.386 7.972 91 2HD2 LEU 12 HD21 LEU 12 117.961 8.721 6.859 92 3HD2 LEU 12 HD23 LEU 12 116.366 8.514 7.582 93 H ILE 13 HN ILE 13 118.473 5.491 3.964 94 HA ILE 13 HA ILE 13 120.436 3.565 5.140 95 HB ILE 13 HB ILE 13 121.694 3.894 2.989 96 1HG1 ILE 13 HG12 ILE 13 119.144 5.277 2.097 97 2HG1 ILE 13 HG11 ILE 13 120.638 6.129 2.491 98 1HG2 ILE 13 HG22 ILE 13 120.094 2.003 3.369 99 2HG2 ILE 13 HG21 ILE 13 118.826 2.977 2.625 100 3HG2 ILE 13 HG23 ILE 13 120.222 2.471 1.674 101 1HD1 ILE 13 HD13 ILE 13 120.578 3.890 0.466 102 2HD1 ILE 13 HD12 ILE 13 120.241 5.560 0.010 103 3HD1 ILE 13 HD11 ILE 13 121.812 5.131 0.687 104 H GLY 14 HN GLY 14 119.843 6.929 4.288 105 1HA GLY 14 HA2 GLY 14 121.904 7.801 6.163 106 2HA GLY 14 HA1 GLY 14 122.310 8.141 4.480 107 H LYS 15 HN LYS 15 122.115 10.375 5.798 108 HA LYS 15 HA LYS 15 119.533 11.535 4.925 109 1HB LYS 15 HB2 LYS 15 119.314 10.907 7.360 110 2HB LYS 15 HB1 LYS 15 120.636 12.023 7.706 111 1HG LYS 15 HG2 LYS 15 119.353 13.890 6.809 112 2HG LYS 15 HG1 LYS 15 118.058 12.801 6.312 113 1HD LYS 15 HD2 LYS 15 117.267 13.647 8.356 114 2HD LYS 15 HD1 LYS 15 117.996 12.110 8.825 115 1HE LYS 15 HE2 LYS 15 120.167 13.534 9.157 116 2HE LYS 15 HE1 LYS 15 119.050 14.898 9.224 117 1HZ LYS 15 HZ3 LYS 15 117.792 13.532 10.921 118 2HZ LYS 15 HZ2 LYS 15 119.163 12.534 10.998 119 3HZ LYS 15 HZ1 LYS 15 119.279 14.175 11.421 120 H ASP 16 HN ASP 16 120.158 13.171 3.615 121 HA ASP 16 HA ASP 16 121.340 15.019 2.786 122 1HB ASP 16 HB2 ASP 16 121.552 15.261 5.753 123 2HB ASP 16 HB1 ASP 16 122.622 16.270 4.780 124 H GLY 17 HN GLY 17 122.662 12.342 3.030 125 1HA GLY 17 HA2 GLY 17 124.801 11.744 2.099 126 2HA GLY 17 HA1 GLY 17 125.436 13.305 2.620 127 H HIS 18 HN HIS 18 124.645 13.300 5.305 128 HA HIS 18 HA HIS 18 126.545 11.318 6.400 129 1HB HIS 18 HB2 HIS 18 126.216 12.605 8.530 130 2HB HIS 18 HB1 HIS 18 126.783 13.604 7.192 131 HD1 HIS 18 HD1 HIS 18 123.657 12.821 9.175 132 HD2 HIS 18 HD2 HIS 18 124.986 15.609 6.374 133 HE1 HIS 18 HE1 HIS 18 121.876 14.617 9.051 134 H LEU 19 HN LEU 19 125.952 9.908 8.171 135 HA LEU 19 HA LEU 19 123.340 8.705 7.852 136 1HB LEU 19 HB2 LEU 19 125.558 8.268 9.869 137 2HB LEU 19 HB1 LEU 19 124.080 7.306 9.829 138 HG LEU 19 HG LEU 19 125.745 7.648 7.344 139 1HD1 LEU 19 HD12 LEU 19 126.191 5.757 9.659 140 2HD1 LEU 19 HD11 LEU 19 126.730 5.369 8.025 141 3HD1 LEU 19 HD13 LEU 19 127.371 6.790 8.851 142 1HD2 LEU 19 HD21 LEU 19 123.388 6.676 7.356 143 2HD2 LEU 19 HD23 LEU 19 124.630 5.632 6.665 144 3HD2 LEU 19 HD22 LEU 19 124.038 5.334 8.299 145 HA PRO 20 HA PRO 20 121.136 11.104 10.903 146 1HB PRO 20 HB2 PRO 20 119.056 9.288 11.303 147 2HB PRO 20 HB1 PRO 20 119.126 10.510 10.026 148 1HG PRO 20 HG2 PRO 20 119.302 7.648 9.782 149 2HG PRO 20 HG1 PRO 20 119.245 8.868 8.502 150 1HD PRO 20 HD2 PRO 20 121.535 7.377 9.485 151 2HD PRO 20 HD1 PRO 20 121.418 8.440 8.075 152 H TRP 21 HN TRP 21 121.996 7.748 11.522 153 HA TRP 21 HA TRP 21 121.787 8.286 14.457 154 1HB TRP 21 HB2 TRP 21 121.695 5.803 14.709 155 2HB TRP 21 HB1 TRP 21 120.350 6.438 13.762 156 HD1 TRP 21 HD1 TRP 21 123.768 4.729 13.278 157 HE1 TRP 21 HE1 TRP 21 123.728 3.448 11.042 158 HE3 TRP 21 HE3 TRP 21 119.192 6.163 11.524 159 HZ2 TRP 21 HZ2 TRP 21 121.984 3.081 8.805 160 HZ3 TRP 21 HZ3 TRP 21 118.368 5.334 9.340 161 HH2 TRP 21 HH2 TRP 21 119.757 3.796 7.979 162 H HIS 22 HN HIS 22 123.422 6.415 15.501 163 HA HIS 22 HA HIS 22 126.051 6.673 14.121 164 1HB HIS 22 HB2 HIS 22 125.646 8.473 15.938 165 2HB HIS 22 HB1 HIS 22 125.782 7.144 17.091 166 HD1 HIS 22 HD1 HIS 22 127.798 7.782 13.917 167 HD2 HIS 22 HD2 HIS 22 128.379 7.385 18.026 168 HE1 HIS 22 HE1 HIS 22 130.301 7.839 14.295 169 H LEU 23 HN LEU 23 126.245 4.477 13.704 170 HA LEU 23 HA LEU 23 126.039 2.639 16.056 171 1HB LEU 23 HB2 LEU 23 124.498 2.287 14.023 172 2HB LEU 23 HB1 LEU 23 125.952 1.792 13.156 173 HG LEU 23 HG LEU 23 126.383 0.125 15.001 174 1HD1 LEU 23 HD11 LEU 23 123.814 1.337 15.928 175 2HD1 LEU 23 HD13 LEU 23 124.039 -0.396 16.174 176 3HD1 LEU 23 HD12 LEU 23 125.183 0.751 16.872 177 1HD2 LEU 23 HD23 LEU 23 124.972 -0.171 12.751 178 2HD2 LEU 23 HD22 LEU 23 125.114 -1.482 13.922 179 3HD2 LEU 23 HD21 LEU 23 123.667 -0.474 13.899 180 HA PRO 24 HA PRO 24 130.606 3.238 15.090 181 1HB PRO 24 HB2 PRO 24 130.972 2.205 17.777 182 2HB PRO 24 HB1 PRO 24 131.395 3.797 17.134 183 1HG PRO 24 HG2 PRO 24 129.200 3.085 18.839 184 2HG PRO 24 HG1 PRO 24 129.675 4.687 18.263 185 1HD PRO 24 HD2 PRO 24 127.382 3.263 17.496 186 2HD PRO 24 HD1 PRO 24 128.033 4.708 16.708 187 H ASP 25 HN ASP 25 128.766 0.594 16.547 188 HA ASP 25 HA ASP 25 130.746 -1.452 16.322 189 1HB ASP 25 HB2 ASP 25 128.312 -1.404 17.419 190 2HB ASP 25 HB1 ASP 25 127.869 -2.124 15.871 191 H ASP 26 HN ASP 26 128.394 -0.169 14.008 192 HA ASP 26 HA ASP 26 128.780 -2.169 11.985 193 1HB ASP 26 HB2 ASP 26 126.909 -0.433 12.119 194 2HB ASP 26 HB1 ASP 26 128.073 0.728 11.479 195 H LEU 27 HN LEU 27 130.556 0.727 12.874 196 HA LEU 27 HA LEU 27 132.095 1.005 10.471 197 1HB LEU 27 HB2 LEU 27 132.486 1.861 13.333 198 2HB LEU 27 HB1 LEU 27 133.769 2.102 12.147 199 HG LEU 27 HG LEU 27 130.950 2.990 11.564 200 1HD1 LEU 27 HD13 LEU 27 132.991 4.253 13.351 201 2HD1 LEU 27 HD12 LEU 27 132.046 5.304 12.295 202 3HD1 LEU 27 HD11 LEU 27 131.231 4.272 13.471 203 1HD2 LEU 27 HD23 LEU 27 132.880 2.827 9.843 204 2HD2 LEU 27 HD22 LEU 27 131.986 4.346 9.922 205 3HD2 LEU 27 HD21 LEU 27 133.569 4.213 10.689 206 H HIS 28 HN HIS 28 132.410 -1.066 13.292 207 HA HIS 28 HA HIS 28 135.126 -1.898 12.838 208 1HB HIS 28 HB2 HIS 28 132.867 -3.422 14.173 209 2HB HIS 28 HB1 HIS 28 134.588 -3.765 14.339 210 HD1 HIS 28 HD1 HIS 28 135.547 -0.782 14.586 211 HD2 HIS 28 HD2 HIS 28 132.427 -2.466 16.779 212 HE1 HIS 28 HE1 HIS 28 135.295 0.630 16.674 213 H TYR 29 HN TYR 29 132.029 -2.928 11.530 214 HA TYR 29 HA TYR 29 133.181 -5.299 10.229 215 1HB TYR 29 HB2 TYR 29 130.764 -5.072 11.075 216 2HB TYR 29 HB1 TYR 29 130.481 -4.064 9.655 217 HD1 TYR 29 HD1 TYR 29 132.229 -7.299 10.442 218 HD2 TYR 29 HD2 TYR 29 129.593 -5.160 7.811 219 HE1 TYR 29 HE1 TYR 29 131.973 -9.333 9.047 220 HE2 TYR 29 HE2 TYR 29 129.336 -7.194 6.415 221 HH TYR 29 HH TYR 29 129.709 -9.992 7.160 222 H PHE 30 HN PHE 30 132.406 -1.972 9.414 223 HA PHE 30 HA PHE 30 132.557 -2.256 6.552 224 1HB PHE 30 HB2 PHE 30 131.561 -0.288 7.770 225 2HB PHE 30 HB1 PHE 30 133.198 0.209 8.197 226 HD1 PHE 30 HD2 PHE 30 131.088 -0.697 5.238 227 HD2 PHE 30 HD1 PHE 30 134.441 1.542 6.720 228 HE1 PHE 30 HE2 PHE 30 131.334 0.399 3.027 229 HE2 PHE 30 HE1 PHE 30 134.686 2.638 4.509 230 HZ PHE 30 HZ PHE 30 133.133 2.066 2.662 231 H ARG 31 HN ARG 31 134.959 -1.617 9.073 232 HA ARG 31 HA ARG 31 137.137 -0.969 7.323 233 1HB ARG 31 HB2 ARG 31 137.106 -0.554 9.797 234 2HB ARG 31 HB1 ARG 31 137.287 -2.290 10.048 235 1HG ARG 31 HG2 ARG 31 139.315 -1.902 8.320 236 2HG ARG 31 HG1 ARG 31 139.272 -0.303 9.063 237 1HD ARG 31 HD2 ARG 31 139.075 -2.571 10.957 238 2HD ARG 31 HD1 ARG 31 140.620 -2.423 10.120 239 HE ARG 31 HE ARG 31 139.582 -0.594 12.136 240 1HH1 ARG 31 HH21 ARG 31 141.681 -0.916 9.357 241 2HH1 ARG 31 HH22 ARG 31 142.668 0.425 9.822 242 1HH2 ARG 31 HH11 ARG 31 140.885 1.135 12.698 243 2HH2 ARG 31 HH12 ARG 31 142.224 1.575 11.692 244 H ALA 32 HN ALA 32 136.037 -4.049 8.735 245 HA ALA 32 HA ALA 32 138.164 -5.637 7.622 246 1HB ALA 32 HB2 ALA 32 135.409 -6.284 8.672 247 2HB ALA 32 HB1 ALA 32 136.456 -7.534 8.000 248 3HB ALA 32 HB3 ALA 32 136.971 -6.621 9.417 249 H GLN 33 HN GLN 33 135.105 -4.472 6.357 250 HA GLN 33 HA GLN 33 135.389 -6.186 3.945 251 1HB GLN 33 HB2 GLN 33 133.176 -4.254 4.706 252 2HB GLN 33 HB1 GLN 33 133.144 -5.399 3.364 253 1HG GLN 33 HG2 GLN 33 133.584 -6.309 6.210 254 2HG GLN 33 HG1 GLN 33 131.965 -6.121 5.537 255 1HE2 GLN 33 HE22 GLN 33 133.497 -9.603 4.903 256 2HE2 GLN 33 HE21 GLN 33 133.552 -8.638 6.299 257 H THR 34 HN THR 34 137.336 -4.108 4.372 258 HA THR 34 HA THR 34 136.906 -2.585 1.875 259 HB THR 34 HB THR 34 137.686 -0.469 3.078 260 HG1 THR 34 HG1 THR 34 136.801 -1.946 5.328 261 1HG2 THR 34 HG21 THR 34 135.001 -1.690 3.779 262 2HG2 THR 34 HG23 THR 34 135.397 0.020 3.946 263 3HG2 THR 34 HG22 THR 34 135.375 -0.727 2.349 264 H VAL 35 HN VAL 35 139.094 -3.069 4.661 265 HA VAL 35 HA VAL 35 141.497 -2.353 3.294 266 HB VAL 35 HB VAL 35 142.642 -3.634 5.101 267 1HG1 VAL 35 HG12 VAL 35 140.372 -1.764 5.772 268 2HG1 VAL 35 HG11 VAL 35 141.452 -2.378 7.023 269 3HG1 VAL 35 HG13 VAL 35 142.099 -1.411 5.697 270 1HG2 VAL 35 HG21 VAL 35 139.902 -4.750 5.353 271 2HG2 VAL 35 HG23 VAL 35 141.456 -5.491 5.727 272 3HG2 VAL 35 HG22 VAL 35 140.712 -4.378 6.874 273 H GLY 36 HN GLY 36 142.552 -3.408 1.695 274 1HA GLY 36 HA2 GLY 36 143.494 -5.268 0.549 275 2HA GLY 36 HA1 GLY 36 142.570 -6.348 1.593 276 H LYS 37 HN LYS 37 141.058 -3.668 -0.090 277 HA LYS 37 HA LYS 37 140.100 -5.353 -2.294 278 1HB LYS 37 HB2 LYS 37 138.301 -4.463 -0.033 279 2HB LYS 37 HB1 LYS 37 137.669 -4.838 -1.637 280 1HG LYS 37 HG2 LYS 37 139.021 -7.057 -1.384 281 2HG LYS 37 HG1 LYS 37 139.005 -6.673 0.338 282 1HD LYS 37 HD2 LYS 37 136.507 -6.442 0.198 283 2HD LYS 37 HD1 LYS 37 136.595 -7.020 -1.467 284 1HE LYS 37 HE2 LYS 37 136.165 -8.987 -0.256 285 2HE LYS 37 HE1 LYS 37 137.917 -9.024 -0.453 286 1HZ LYS 37 HZ3 LYS 37 138.073 -7.918 1.748 287 2HZ LYS 37 HZ2 LYS 37 136.397 -8.132 1.934 288 3HZ LYS 37 HZ1 LYS 37 137.421 -9.482 1.811 289 H ILE 38 HN ILE 38 138.212 -3.931 -3.426 290 HA ILE 38 HA ILE 38 139.372 -1.191 -3.674 291 HB ILE 38 HB ILE 38 137.568 -2.669 -5.614 292 1HG1 ILE 38 HG12 ILE 38 140.561 -2.234 -5.807 293 2HG1 ILE 38 HG11 ILE 38 139.843 -3.729 -5.208 294 1HG2 ILE 38 HG22 ILE 38 137.673 -0.117 -5.648 295 2HG2 ILE 38 HG21 ILE 38 139.371 -0.286 -6.095 296 3HG2 ILE 38 HG23 ILE 38 138.113 -0.922 -7.155 297 1HD1 ILE 38 HD13 ILE 38 138.928 -2.616 -7.842 298 2HD1 ILE 38 HD12 ILE 38 140.450 -3.505 -7.761 299 3HD1 ILE 38 HD11 ILE 38 138.943 -4.289 -7.284 300 H MET 39 HN MET 39 138.227 0.166 -2.360 301 HA MET 39 HA MET 39 135.355 -0.234 -1.894 302 1HB MET 39 HB2 MET 39 137.221 0.724 -0.269 303 2HB MET 39 HB1 MET 39 136.803 2.249 -1.050 304 1HG MET 39 HG2 MET 39 134.444 1.934 -0.459 305 2HG MET 39 HG1 MET 39 134.821 0.373 0.272 306 1HE MET 39 HE2 MET 39 135.570 3.860 -0.101 307 2HE MET 39 HE1 MET 39 134.825 4.443 1.384 308 3HE MET 39 HE3 MET 39 136.587 4.349 1.251 309 H VAL 40 HN VAL 40 133.719 0.923 -2.855 310 HA VAL 40 HA VAL 40 134.518 3.066 -4.786 311 HB VAL 40 HB VAL 40 132.185 1.146 -5.063 312 1HG1 VAL 40 HG12 VAL 40 131.901 3.349 -6.160 313 2HG1 VAL 40 HG11 VAL 40 133.437 3.123 -6.996 314 3HG1 VAL 40 HG13 VAL 40 132.076 2.057 -7.348 315 1HG2 VAL 40 HG23 VAL 40 134.963 1.142 -6.273 316 2HG2 VAL 40 HG22 VAL 40 134.193 -0.143 -5.342 317 3HG2 VAL 40 HG21 VAL 40 133.618 0.235 -6.966 318 H VAL 41 HN VAL 41 133.379 4.975 -4.634 319 HA VAL 41 HA VAL 41 130.868 5.045 -3.063 320 HB VAL 41 HB VAL 41 131.737 6.980 -1.721 321 1HG1 VAL 41 HG13 VAL 41 131.706 4.604 -0.881 322 2HG1 VAL 41 HG12 VAL 41 133.388 4.458 -1.393 323 3HG1 VAL 41 HG11 VAL 41 132.947 5.610 -0.132 324 1HG2 VAL 41 HG23 VAL 41 133.623 7.404 -3.421 325 2HG2 VAL 41 HG22 VAL 41 134.057 7.520 -1.716 326 3HG2 VAL 41 HG21 VAL 41 134.474 6.074 -2.635 327 H GLY 42 HN GLY 42 129.747 7.150 -3.330 328 1HA GLY 42 HA2 GLY 42 130.219 8.226 -6.046 329 2HA GLY 42 HA1 GLY 42 128.780 8.502 -5.062 330 H ARG 43 HN ARG 43 129.031 10.803 -5.543 331 HA ARG 43 HA ARG 43 131.403 12.187 -4.492 332 1HB ARG 43 HB2 ARG 43 128.997 12.916 -6.076 333 2HB ARG 43 HB1 ARG 43 129.671 14.189 -5.058 334 1HG ARG 43 HG2 ARG 43 131.626 12.603 -6.639 335 2HG ARG 43 HG1 ARG 43 130.572 13.681 -7.556 336 1HD ARG 43 HD2 ARG 43 132.146 14.566 -5.124 337 2HD ARG 43 HD1 ARG 43 132.736 14.739 -6.777 338 HE ARG 43 HE ARG 43 130.670 16.363 -5.515 339 1HH1 ARG 43 HH21 ARG 43 131.898 15.124 -8.548 340 2HH1 ARG 43 HH22 ARG 43 131.193 16.405 -9.471 341 1HH2 ARG 43 HH11 ARG 43 129.775 17.999 -6.749 342 2HH2 ARG 43 HH12 ARG 43 130.003 18.016 -8.466 343 H ARG 44 HN ARG 44 127.968 11.827 -3.648 344 HA ARG 44 HA ARG 44 128.067 13.602 -1.372 345 1HB ARG 44 HB2 ARG 44 126.151 11.604 -2.474 346 2HB ARG 44 HB1 ARG 44 125.993 11.998 -0.762 347 1HG ARG 44 HG2 ARG 44 124.615 13.586 -1.851 348 2HG ARG 44 HG1 ARG 44 126.104 14.466 -1.507 349 1HD ARG 44 HD2 ARG 44 126.900 13.886 -3.822 350 2HD ARG 44 HD1 ARG 44 125.305 13.205 -4.145 351 HE ARG 44 HE ARG 44 124.488 15.395 -4.381 352 1HH1 ARG 44 HH11 ARG 44 127.515 15.439 -2.627 353 2HH1 ARG 44 HH12 ARG 44 127.591 17.166 -2.603 354 1HH2 ARG 44 HH21 ARG 44 124.628 17.627 -4.325 355 2HH2 ARG 44 HH22 ARG 44 125.976 18.394 -3.553 356 H THR 45 HN THR 45 128.724 10.178 -1.852 357 HA THR 45 HA THR 45 128.898 9.608 1.016 358 HB THR 45 HB THR 45 130.036 7.884 -1.182 359 HG1 THR 45 HG1 THR 45 127.338 8.003 -0.326 360 1HG2 THR 45 HG22 THR 45 130.302 7.383 1.313 361 2HG2 THR 45 HG21 THR 45 128.561 7.109 1.336 362 3HG2 THR 45 HG23 THR 45 129.599 6.100 0.330 363 H TYR 46 HN TYR 46 131.124 10.331 -1.635 364 HA TYR 46 HA TYR 46 133.556 9.743 -0.229 365 1HB TYR 46 HB2 TYR 46 133.326 10.110 -2.722 366 2HB TYR 46 HB1 TYR 46 133.170 11.834 -2.389 367 HD1 TYR 46 HD1 TYR 46 135.372 9.038 -1.176 368 HD2 TYR 46 HD2 TYR 46 135.126 13.039 -2.721 369 HE1 TYR 46 HE1 TYR 46 137.841 9.238 -1.051 370 HE2 TYR 46 HE2 TYR 46 137.596 13.238 -2.594 371 HH TYR 46 HH TYR 46 139.496 11.428 -0.817 372 H GLU 47 HN GLU 47 131.707 12.767 -0.641 373 HA GLU 47 HA GLU 47 133.513 14.361 0.955 374 1HB GLU 47 HB2 GLU 47 130.659 14.745 0.035 375 2HB GLU 47 HB1 GLU 47 131.487 15.933 1.042 376 1HG GLU 47 HG2 GLU 47 132.740 14.909 -1.504 377 2HG GLU 47 HG1 GLU 47 131.598 16.254 -1.526 378 H SER 48 HN SER 48 130.850 12.225 1.709 379 HA SER 48 HA SER 48 130.154 13.254 4.279 380 1HB SER 48 HB2 SER 48 128.962 11.437 2.893 381 2HB SER 48 HB1 SER 48 130.143 10.319 3.570 382 HG SER 48 HG SER 48 127.943 11.409 4.703 383 H PHE 49 HN PHE 49 132.838 11.273 3.189 384 HA PHE 49 HA PHE 49 133.644 10.285 5.765 385 1HB PHE 49 HB2 PHE 49 135.320 10.829 3.295 386 2HB PHE 49 HB1 PHE 49 135.820 9.852 4.676 387 HD1 PHE 49 HD1 PHE 49 133.783 8.111 5.391 388 HD2 PHE 49 HD2 PHE 49 134.650 9.586 1.451 389 HE1 PHE 49 HE1 PHE 49 132.656 6.134 4.402 390 HE2 PHE 49 HE2 PHE 49 133.522 7.612 0.463 391 HZ PHE 49 HZ PHE 49 132.525 5.886 1.939 392 HA PRO 50 HA PRO 50 135.484 13.963 7.490 393 1HB PRO 50 HB2 PRO 50 137.165 12.678 9.310 394 2HB PRO 50 HB1 PRO 50 135.465 13.083 9.586 395 1HG PRO 50 HG2 PRO 50 136.659 10.485 9.247 396 2HG PRO 50 HG1 PRO 50 134.986 10.892 9.653 397 1HD PRO 50 HD2 PRO 50 136.071 10.014 7.109 398 2HD PRO 50 HD1 PRO 50 134.380 10.233 7.582 399 H LYS 51 HN LYS 51 137.908 11.332 7.226 400 HA LYS 51 HA LYS 51 139.875 13.344 6.244 401 1HB LYS 51 HB2 LYS 51 140.468 11.864 8.200 402 2HB LYS 51 HB1 LYS 51 140.376 10.482 7.109 403 1HG LYS 51 HG2 LYS 51 142.148 11.384 5.721 404 2HG LYS 51 HG1 LYS 51 142.170 12.881 6.653 405 1HD LYS 51 HD2 LYS 51 142.996 11.757 8.605 406 2HD LYS 51 HD1 LYS 51 142.710 10.171 7.887 407 1HE LYS 51 HE2 LYS 51 144.541 10.331 6.463 408 2HE LYS 51 HE1 LYS 51 144.519 12.095 6.467 409 1HZ LYS 51 HZ3 LYS 51 145.128 10.557 8.915 410 2HZ LYS 51 HZ2 LYS 51 146.340 10.934 7.786 411 3HZ LYS 51 HZ1 LYS 51 145.486 12.178 8.566 412 H ARG 52 HN ARG 52 139.536 13.505 4.041 413 HA ARG 52 HA ARG 52 139.245 10.997 2.473 414 1HB ARG 52 HB2 ARG 52 139.015 13.862 1.508 415 2HB ARG 52 HB1 ARG 52 138.514 12.408 0.644 416 1HG ARG 52 HG2 ARG 52 136.794 11.951 2.297 417 2HG ARG 52 HG1 ARG 52 137.355 13.285 3.305 418 1HD ARG 52 HD2 ARG 52 136.946 14.559 0.912 419 2HD ARG 52 HD1 ARG 52 135.673 13.339 0.880 420 HE ARG 52 HE ARG 52 134.596 14.484 2.639 421 1HH1 ARG 52 HH21 ARG 52 137.907 15.573 2.331 422 2HH1 ARG 52 HH22 ARG 52 137.692 16.862 3.464 423 1HH2 ARG 52 HH11 ARG 52 134.367 16.161 4.100 424 2HH2 ARG 52 HH12 ARG 52 135.712 17.192 4.456 425 HA PRO 53 HA PRO 53 139.630 10.041 0.718 426 1HB PRO 53 HB2 PRO 53 141.460 8.232 -0.335 427 2HB PRO 53 HB1 PRO 53 140.641 9.502 -1.255 428 1HG PRO 53 HG2 PRO 53 143.428 9.303 -0.594 429 2HG PRO 53 HG1 PRO 53 142.613 10.538 -1.564 430 1HD PRO 53 HD2 PRO 53 143.506 10.673 1.227 431 2HD PRO 53 HD1 PRO 53 143.045 11.987 0.132 432 H LEU 54 HN LEU 54 139.773 7.457 1.074 433 HA LEU 54 HA LEU 54 140.578 7.115 3.897 434 1HB LEU 54 HB2 LEU 54 138.909 5.467 1.990 435 2HB LEU 54 HB1 LEU 54 139.369 4.882 3.589 436 HG LEU 54 HG LEU 54 137.939 7.510 3.110 437 1HD1 LEU 54 HD12 LEU 54 136.921 4.727 3.649 438 2HD1 LEU 54 HD11 LEU 54 136.016 6.133 4.209 439 3HD1 LEU 54 HD13 LEU 54 136.328 5.914 2.489 440 1HD2 LEU 54 HD22 LEU 54 138.636 5.873 5.561 441 2HD2 LEU 54 HD21 LEU 54 139.123 7.529 5.196 442 3HD2 LEU 54 HD23 LEU 54 137.441 7.171 5.589 443 HA PRO 55 HA PRO 55 144.276 4.997 2.328 444 1HB PRO 55 HB2 PRO 55 145.414 4.783 4.885 445 2HB PRO 55 HB1 PRO 55 145.696 6.083 3.720 446 1HG PRO 55 HG2 PRO 55 144.316 6.223 6.220 447 2HG PRO 55 HG1 PRO 55 144.613 7.523 5.057 448 1HD PRO 55 HD2 PRO 55 142.155 6.026 5.551 449 2HD PRO 55 HD1 PRO 55 142.390 7.519 4.629 450 H GLU 56 HN GLU 56 145.556 2.984 3.359 451 HA GLU 56 HA GLU 56 145.476 0.708 3.901 452 1HB GLU 56 HB2 GLU 56 144.418 1.874 6.030 453 2HB GLU 56 HB1 GLU 56 142.939 1.110 5.445 454 1HG GLU 56 HG2 GLU 56 144.092 -1.078 5.403 455 2HG GLU 56 HG1 GLU 56 145.557 -0.311 6.016 456 H ARG 57 HN ARG 57 143.799 1.925 1.635 457 HA ARG 57 HA ARG 57 142.685 -0.488 0.635 458 1HB ARG 57 HB2 ARG 57 140.253 0.088 0.764 459 2HB ARG 57 HB1 ARG 57 140.960 -0.245 2.343 460 1HG ARG 57 HG2 ARG 57 141.402 2.386 2.296 461 2HG ARG 57 HG1 ARG 57 140.030 2.350 1.191 462 1HD ARG 57 HD2 ARG 57 138.558 1.866 2.848 463 2HD ARG 57 HD1 ARG 57 139.647 0.696 3.595 464 HE ARG 57 HE ARG 57 140.710 3.274 4.091 465 1HH1 ARG 57 HH21 ARG 57 137.883 1.380 4.901 466 2HH1 ARG 57 HH22 ARG 57 137.653 2.186 6.413 467 1HH2 ARG 57 HH11 ARG 57 140.373 4.290 6.057 468 2HH2 ARG 57 HH12 ARG 57 139.046 3.815 7.063 469 H THR 58 HN THR 58 141.361 -0.044 -1.388 470 HA THR 58 HA THR 58 142.440 2.387 -2.710 471 HB THR 58 HB THR 58 140.880 0.225 -4.108 472 HG1 THR 58 HG1 THR 58 142.973 -0.790 -4.378 473 1HG2 THR 58 HG21 THR 58 141.607 2.331 -5.271 474 2HG2 THR 58 HG23 THR 58 143.280 1.872 -4.946 475 3HG2 THR 58 HG22 THR 58 142.273 0.860 -5.983 476 H ASN 59 HN ASN 59 141.101 3.996 -3.510 477 HA ASN 59 HA ASN 59 138.188 3.709 -2.887 478 1HB ASN 59 HB2 ASN 59 140.044 6.090 -2.838 479 2HB ASN 59 HB1 ASN 59 138.294 6.290 -2.926 480 1HD2 ASN 59 HD22 ASN 59 139.853 4.564 0.476 481 2HD2 ASN 59 HD21 ASN 59 140.666 4.352 -1.000 482 H VAL 60 HN VAL 60 136.711 4.205 -4.503 483 HA VAL 60 HA VAL 60 137.819 5.094 -7.133 484 HB VAL 60 HB VAL 60 135.692 2.965 -6.751 485 1HG1 VAL 60 HG13 VAL 60 137.202 3.958 -9.189 486 2HG1 VAL 60 HG12 VAL 60 136.078 2.601 -9.179 487 3HG1 VAL 60 HG11 VAL 60 135.494 4.231 -8.845 488 1HG2 VAL 60 HG21 VAL 60 138.651 2.764 -7.384 489 2HG2 VAL 60 HG23 VAL 60 137.804 2.055 -6.009 490 3HG2 VAL 60 HG22 VAL 60 137.511 1.442 -7.637 491 H VAL 61 HN VAL 61 137.001 7.203 -6.858 492 HA VAL 61 HA VAL 61 134.218 7.657 -6.089 493 HB VAL 61 HB VAL 61 136.193 9.595 -7.333 494 1HG1 VAL 61 HG11 VAL 61 133.702 10.002 -5.647 495 2HG1 VAL 61 HG13 VAL 61 134.773 11.285 -6.212 496 3HG1 VAL 61 HG12 VAL 61 133.844 10.336 -7.374 497 1HG2 VAL 61 HG23 VAL 61 135.637 8.930 -4.422 498 2HG2 VAL 61 HG22 VAL 61 137.134 8.599 -5.295 499 3HG2 VAL 61 HG21 VAL 61 136.647 10.264 -4.978 500 H LEU 62 HN LEU 62 132.503 7.683 -7.460 501 HA LEU 62 HA LEU 62 133.074 7.683 -10.396 502 1HB LEU 62 HB2 LEU 62 131.954 5.645 -9.411 503 2HB LEU 62 HB1 LEU 62 130.582 6.674 -8.998 504 HG LEU 62 HG LEU 62 130.517 7.353 -11.455 505 1HD1 LEU 62 HD11 LEU 62 132.519 5.092 -11.534 506 2HD1 LEU 62 HD13 LEU 62 131.551 5.523 -12.944 507 3HD1 LEU 62 HD12 LEU 62 132.660 6.701 -12.243 508 1HD2 LEU 62 HD21 LEU 62 130.047 4.449 -10.706 509 2HD2 LEU 62 HD23 LEU 62 128.899 5.774 -10.511 510 3HD2 LEU 62 HD22 LEU 62 129.368 5.244 -12.127 511 H THR 63 HN THR 63 132.493 9.508 -11.446 512 HA THR 63 HA THR 63 130.018 10.925 -10.710 513 HB THR 63 HB THR 63 131.611 12.013 -9.225 514 HG1 THR 63 HG1 THR 63 130.271 13.491 -10.083 515 1HG2 THR 63 HG22 THR 63 133.658 11.321 -10.436 516 2HG2 THR 63 HG21 THR 63 133.277 12.475 -11.714 517 3HG2 THR 63 HG23 THR 63 133.657 13.050 -10.091 518 H HIS 64 HN HIS 64 129.875 12.959 -12.278 519 HA HIS 64 HA HIS 64 130.879 12.078 -14.957 520 1HB HIS 64 HB2 HIS 64 128.196 12.987 -14.025 521 2HB HIS 64 HB1 HIS 64 128.715 13.536 -15.618 522 HD1 HIS 64 HD1 HIS 64 129.349 10.168 -13.952 523 HD2 HIS 64 HD2 HIS 64 127.455 11.741 -17.316 524 HE1 HIS 64 HE1 HIS 64 128.565 8.189 -15.324 525 H GLN 65 HN GLN 65 132.538 13.703 -13.549 526 HA GLN 65 HA GLN 65 132.347 16.245 -15.063 527 1HB GLN 65 HB2 GLN 65 131.396 16.390 -12.614 528 2HB GLN 65 HB1 GLN 65 133.099 16.381 -12.158 529 1HG GLN 65 HG2 GLN 65 133.545 18.388 -13.304 530 2HG GLN 65 HG1 GLN 65 132.093 18.251 -14.295 531 1HE2 GLN 65 HE22 GLN 65 131.603 19.440 -10.379 532 2HE2 GLN 65 HE21 GLN 65 132.864 18.368 -10.760 533 H GLU 66 HN GLU 66 134.358 16.983 -15.701 534 HA GLU 66 HA GLU 66 136.678 15.277 -14.949 535 1HB GLU 66 HB2 GLU 66 136.120 17.136 -17.266 536 2HB GLU 66 HB1 GLU 66 137.747 16.545 -16.924 537 1HG GLU 66 HG2 GLU 66 135.526 14.546 -17.019 538 2HG GLU 66 HG1 GLU 66 136.108 15.209 -18.547 539 H ASP 67 HN ASP 67 135.580 17.418 -13.207 540 HA ASP 67 HA ASP 67 137.894 19.312 -13.220 541 1HB ASP 67 HB2 ASP 67 135.057 19.569 -12.219 542 2HB ASP 67 HB1 ASP 67 136.331 20.649 -11.652 543 H TYR 68 HN TYR 68 136.092 16.965 -11.331 544 HA TYR 68 HA TYR 68 137.203 17.525 -8.761 545 1HB TYR 68 HB2 TYR 68 135.306 15.831 -9.593 546 2HB TYR 68 HB1 TYR 68 136.654 14.694 -9.537 547 HD1 TYR 68 HD2 TYR 68 135.131 17.440 -7.476 548 HD2 TYR 68 HD1 TYR 68 137.122 13.634 -7.515 549 HE1 TYR 68 HE2 TYR 68 134.911 17.300 -5.011 550 HE2 TYR 68 HE1 TYR 68 136.901 13.494 -5.048 551 HH TYR 68 HH TYR 68 134.833 15.310 -3.283 552 H GLN 69 HN GLN 69 139.192 17.085 -7.912 553 HA GLN 69 HA GLN 69 140.992 15.236 -9.420 554 1HB GLN 69 HB2 GLN 69 141.588 18.023 -8.405 555 2HB GLN 69 HB1 GLN 69 142.864 16.862 -8.772 556 1HG GLN 69 HG2 GLN 69 141.604 16.598 -11.055 557 2HG GLN 69 HG1 GLN 69 140.899 18.161 -10.639 558 1HE2 GLN 69 HE22 GLN 69 144.997 18.050 -11.072 559 2HE2 GLN 69 HE21 GLN 69 144.208 16.717 -10.377 560 H ALA 70 HN ALA 70 140.667 13.608 -7.836 561 HA ALA 70 HA ALA 70 141.151 14.217 -5.001 562 1HB ALA 70 HB2 ALA 70 139.461 12.512 -5.794 563 2HB ALA 70 HB1 ALA 70 140.813 11.506 -6.309 564 3HB ALA 70 HB3 ALA 70 140.608 11.899 -4.602 565 H GLN 71 HN GLN 71 143.164 14.238 -4.149 566 HA GLN 71 HA GLN 71 145.410 13.098 -5.696 567 1HB GLN 71 HB2 GLN 71 145.169 14.935 -3.325 568 2HB GLN 71 HB1 GLN 71 146.702 14.129 -3.661 569 1HG GLN 71 HG2 GLN 71 146.958 15.200 -5.735 570 2HG GLN 71 HG1 GLN 71 145.243 15.592 -5.851 571 1HE2 GLN 71 HE22 GLN 71 145.562 18.319 -3.426 572 2HE2 GLN 71 HE21 GLN 71 144.532 17.009 -3.747 573 H GLY 72 HN GLY 72 145.696 10.937 -5.387 574 1HA GLY 72 HA2 GLY 72 146.707 9.262 -3.871 575 2HA GLY 72 HA1 GLY 72 145.727 9.938 -2.568 576 H ALA 73 HN ALA 73 143.305 10.176 -4.156 577 HA ALA 73 HA ALA 73 142.436 7.358 -4.003 578 1HB ALA 73 HB3 ALA 73 141.186 9.567 -3.178 579 2HB ALA 73 HB2 ALA 73 140.590 9.557 -4.838 580 3HB ALA 73 HB1 ALA 73 140.284 8.178 -3.782 581 H VAL 74 HN VAL 74 140.766 6.753 -5.830 582 HA VAL 74 HA VAL 74 142.046 7.433 -8.448 583 HB VAL 74 HB VAL 74 140.468 4.944 -7.733 584 1HG1 VAL 74 HG12 VAL 74 142.170 5.721 -10.120 585 2HG1 VAL 74 HG11 VAL 74 141.532 4.101 -9.840 586 3HG1 VAL 74 HG13 VAL 74 140.429 5.448 -10.114 587 1HG2 VAL 74 HG21 VAL 74 143.397 5.611 -7.612 588 2HG2 VAL 74 HG23 VAL 74 142.421 4.683 -6.473 589 3HG2 VAL 74 HG22 VAL 74 142.897 3.967 -8.013 590 H VAL 75 HN VAL 75 140.768 8.995 -9.351 591 HA VAL 75 HA VAL 75 137.826 8.853 -9.046 592 HB VAL 75 HB VAL 75 139.510 10.909 -10.509 593 1HG1 VAL 75 HG11 VAL 75 136.647 10.889 -9.508 594 2HG1 VAL 75 HG13 VAL 75 137.468 12.317 -10.136 595 3HG1 VAL 75 HG12 VAL 75 137.175 10.934 -11.191 596 1HG2 VAL 75 HG21 VAL 75 138.480 10.837 -7.656 597 2HG2 VAL 75 HG23 VAL 75 140.168 10.860 -8.167 598 3HG2 VAL 75 HG22 VAL 75 139.146 12.273 -8.431 599 H VAL 76 HN VAL 76 136.676 7.726 -10.525 600 HA VAL 76 HA VAL 76 137.861 7.303 -13.230 601 HB VAL 76 HB VAL 76 136.164 5.460 -13.400 602 1HG1 VAL 76 HG13 VAL 76 138.004 5.362 -10.989 603 2HG1 VAL 76 HG12 VAL 76 137.322 3.959 -11.812 604 3HG1 VAL 76 HG11 VAL 76 138.468 5.004 -12.652 605 1HG2 VAL 76 HG23 VAL 76 134.757 6.690 -11.529 606 2HG2 VAL 76 HG22 VAL 76 134.733 4.930 -11.637 607 3HG2 VAL 76 HG21 VAL 76 135.751 5.725 -10.437 608 H HIS 77 HN HIS 77 136.051 7.096 -14.979 609 HA HIS 77 HA HIS 77 133.778 8.934 -14.525 610 1HB HIS 77 HB2 HIS 77 136.009 9.440 -16.509 611 2HB HIS 77 HB1 HIS 77 134.419 10.190 -16.653 612 HD1 HIS 77 HD1 HIS 77 137.530 11.189 -15.580 613 HD2 HIS 77 HD2 HIS 77 133.839 11.179 -13.643 614 HE1 HIS 77 HE1 HIS 77 137.700 12.883 -13.705 615 H ASP 78 HN ASP 78 134.040 6.075 -15.077 616 HA ASP 78 HA ASP 78 132.158 5.898 -17.292 617 1HB ASP 78 HB2 ASP 78 135.036 5.186 -17.662 618 2HB ASP 78 HB1 ASP 78 133.830 4.117 -18.380 619 H VAL 79 HN VAL 79 130.870 4.129 -16.972 620 HA VAL 79 HA VAL 79 131.116 2.537 -14.612 621 HB VAL 79 HB VAL 79 129.554 1.859 -17.122 622 1HG1 VAL 79 HG13 VAL 79 129.756 0.057 -15.420 623 2HG1 VAL 79 HG12 VAL 79 129.104 1.157 -14.205 624 3HG1 VAL 79 HG11 VAL 79 128.101 0.648 -15.563 625 1HG2 VAL 79 HG23 VAL 79 129.046 3.786 -14.865 626 2HG2 VAL 79 HG22 VAL 79 128.792 4.015 -16.595 627 3HG2 VAL 79 HG21 VAL 79 127.692 2.996 -15.670 628 H ALA 80 HN ALA 80 131.814 1.788 -18.032 629 HA ALA 80 HA ALA 80 132.703 -0.900 -17.564 630 1HB ALA 80 HB2 ALA 80 132.108 0.278 -19.804 631 2HB ALA 80 HB1 ALA 80 133.777 0.850 -19.773 632 3HB ALA 80 HB3 ALA 80 133.438 -0.881 -19.805 633 H ALA 81 HN ALA 81 134.269 2.230 -17.286 634 HA ALA 81 HA ALA 81 136.990 1.371 -17.292 635 1HB ALA 81 HB3 ALA 81 135.673 3.672 -15.817 636 2HB ALA 81 HB2 ALA 81 137.415 3.465 -15.999 637 3HB ALA 81 HB1 ALA 81 136.406 3.741 -17.419 638 H VAL 82 HN VAL 82 134.683 1.789 -14.592 639 HA VAL 82 HA VAL 82 136.471 0.937 -12.526 640 HB VAL 82 HB VAL 82 133.458 0.584 -12.597 641 1HG1 VAL 82 HG11 VAL 82 134.835 -0.552 -10.775 642 2HG1 VAL 82 HG13 VAL 82 135.294 1.064 -10.238 643 3HG1 VAL 82 HG12 VAL 82 133.600 0.571 -10.206 644 1HG2 VAL 82 HG21 VAL 82 135.224 2.971 -12.128 645 2HG2 VAL 82 HG23 VAL 82 133.700 2.871 -13.010 646 3HG2 VAL 82 HG22 VAL 82 133.703 2.835 -11.247 647 H PHE 83 HN PHE 83 134.480 -0.829 -14.819 648 HA PHE 83 HA PHE 83 134.763 -3.400 -13.481 649 1HB PHE 83 HB2 PHE 83 133.620 -2.402 -16.044 650 2HB PHE 83 HB1 PHE 83 134.120 -4.092 -16.007 651 HD1 PHE 83 HD2 PHE 83 132.574 -1.809 -13.450 652 HD2 PHE 83 HD1 PHE 83 132.278 -5.477 -15.667 653 HE1 PHE 83 HE2 PHE 83 130.514 -2.397 -12.201 654 HE2 PHE 83 HE1 PHE 83 130.217 -6.064 -14.418 655 HZ PHE 83 HZ PHE 83 129.335 -4.524 -12.686 656 H ALA 84 HN ALA 84 136.522 -1.608 -15.946 657 HA ALA 84 HA ALA 84 138.184 -3.825 -16.796 658 1HB ALA 84 HB1 ALA 84 137.815 -1.732 -18.139 659 2HB ALA 84 HB3 ALA 84 138.786 -0.857 -16.955 660 3HB ALA 84 HB2 ALA 84 139.518 -2.135 -17.923 661 H TYR 85 HN TYR 85 138.427 -1.307 -14.331 662 HA TYR 85 HA TYR 85 141.159 -1.794 -13.592 663 1HB TYR 85 HB2 TYR 85 139.749 0.216 -12.941 664 2HB TYR 85 HB1 TYR 85 138.943 -0.825 -11.766 665 HD1 TYR 85 HD1 TYR 85 142.328 0.364 -12.827 666 HD2 TYR 85 HD2 TYR 85 139.896 -1.196 -9.648 667 HE1 TYR 85 HE1 TYR 85 144.188 0.724 -11.227 668 HE2 TYR 85 HE2 TYR 85 141.755 -0.836 -8.048 669 HH TYR 85 HH TYR 85 144.437 -0.692 -8.351 670 H ALA 86 HN ALA 86 138.068 -3.111 -12.423 671 HA ALA 86 HA ALA 86 139.214 -4.742 -10.345 672 1HB ALA 86 HB3 ALA 86 136.620 -5.065 -11.890 673 2HB ALA 86 HB2 ALA 86 137.034 -5.938 -10.414 674 3HB ALA 86 HB1 ALA 86 136.822 -4.187 -10.373 675 H LYS 87 HN LYS 87 138.743 -5.177 -13.797 676 HA LYS 87 HA LYS 87 139.183 -8.035 -13.824 677 1HB LYS 87 HB2 LYS 87 138.363 -6.154 -15.680 678 2HB LYS 87 HB1 LYS 87 139.980 -6.563 -16.248 679 1HG LYS 87 HG2 LYS 87 138.923 -8.310 -17.260 680 2HG LYS 87 HG1 LYS 87 139.003 -9.046 -15.659 681 1HD LYS 87 HD2 LYS 87 136.713 -7.214 -16.135 682 2HD LYS 87 HD1 LYS 87 136.684 -8.737 -17.023 683 1HE LYS 87 HE2 LYS 87 136.487 -10.009 -15.112 684 2HE LYS 87 HE1 LYS 87 137.388 -8.857 -14.127 685 1HZ LYS 87 HZ1 LYS 87 134.707 -8.233 -15.210 686 2HZ LYS 87 HZ3 LYS 87 134.909 -9.022 -13.722 687 3HZ LYS 87 HZ2 LYS 87 135.540 -7.460 -13.947 688 H GLN 88 HN GLN 88 141.276 -5.193 -14.170 689 HA GLN 88 HA GLN 88 143.662 -6.620 -14.885 690 1HB GLN 88 HB2 GLN 88 143.253 -3.946 -13.516 691 2HB GLN 88 HB1 GLN 88 144.826 -4.544 -14.048 692 1HG GLN 88 HG2 GLN 88 142.595 -4.582 -16.032 693 2HG GLN 88 HG1 GLN 88 143.302 -3.016 -15.630 694 1HE2 GLN 88 HE22 GLN 88 145.230 -4.842 -18.401 695 2HE2 GLN 88 HE21 GLN 88 143.560 -4.640 -18.177 696 H HIS 89 HN HIS 89 142.092 -5.963 -11.814 697 HA HIS 89 HA HIS 89 144.346 -7.353 -10.420 698 1HB HIS 89 HB2 HIS 89 142.314 -5.386 -9.321 699 2HB HIS 89 HB1 HIS 89 143.559 -6.197 -8.369 700 HD1 HIS 89 HD1 HIS 89 143.310 -3.022 -9.027 701 HD2 HIS 89 HD2 HIS 89 145.978 -5.736 -10.728 702 HE1 HIS 89 HE1 HIS 89 145.265 -1.661 -9.889 703 HA PRO 90 HA PRO 90 140.869 -10.353 -10.162 704 1HB PRO 90 HB2 PRO 90 142.685 -12.515 -10.066 705 2HB PRO 90 HB1 PRO 90 141.762 -11.965 -11.470 706 1HG PRO 90 HG2 PRO 90 144.575 -11.806 -11.055 707 2HG PRO 90 HG1 PRO 90 143.642 -11.223 -12.439 708 1HD PRO 90 HD2 PRO 90 144.814 -9.699 -10.246 709 2HD PRO 90 HD1 PRO 90 144.153 -9.120 -11.783 710 H ASP 91 HN ASP 91 143.541 -9.610 -8.114 711 HA ASP 91 HA ASP 91 142.631 -11.476 -5.996 712 1HB ASP 91 HB2 ASP 91 144.626 -10.608 -4.759 713 2HB ASP 91 HB1 ASP 91 145.039 -11.328 -6.315 714 H GLN 92 HN GLN 92 141.064 -9.057 -6.922 715 HA GLN 92 HA GLN 92 140.629 -7.922 -4.220 716 1HB GLN 92 HB2 GLN 92 141.598 -6.435 -6.607 717 2HB GLN 92 HB1 GLN 92 140.309 -5.665 -5.681 718 1HG GLN 92 HG2 GLN 92 142.187 -4.879 -4.555 719 2HG GLN 92 HG1 GLN 92 141.813 -6.324 -3.615 720 1HE2 GLN 92 HE22 GLN 92 145.191 -7.249 -4.165 721 2HE2 GLN 92 HE21 GLN 92 144.036 -6.758 -3.024 722 H GLU 93 HN GLU 93 138.477 -7.045 -3.975 723 HA GLU 93 HA GLU 93 136.600 -7.885 -6.151 724 1HB GLU 93 HB2 GLU 93 136.433 -8.105 -3.158 725 2HB GLU 93 HB1 GLU 93 134.951 -7.976 -4.105 726 1HG GLU 93 HG2 GLU 93 135.910 -9.879 -5.549 727 2HG GLU 93 HG1 GLU 93 137.076 -10.118 -4.246 728 H LEU 94 HN LEU 94 134.655 -6.550 -6.358 729 HA LEU 94 HA LEU 94 135.243 -3.700 -5.827 730 1HB LEU 94 HB2 LEU 94 134.274 -4.848 -8.039 731 2HB LEU 94 HB1 LEU 94 132.742 -4.581 -7.207 732 HG LEU 94 HG LEU 94 133.462 -2.179 -6.859 733 1HD1 LEU 94 HD12 LEU 94 135.670 -3.133 -8.692 734 2HD1 LEU 94 HD11 LEU 94 135.236 -1.430 -8.545 735 3HD1 LEU 94 HD13 LEU 94 135.830 -2.314 -7.139 736 1HD2 LEU 94 HD23 LEU 94 133.182 -3.240 -9.688 737 2HD2 LEU 94 HD22 LEU 94 131.874 -2.738 -8.616 738 3HD2 LEU 94 HD21 LEU 94 133.007 -1.542 -9.244 739 H VAL 95 HN VAL 95 134.447 -2.771 -4.015 740 HA VAL 95 HA VAL 95 132.005 -3.964 -2.769 741 HB VAL 95 HB VAL 95 134.104 -2.201 -1.471 742 1HG1 VAL 95 HG11 VAL 95 131.773 -2.250 -0.487 743 2HG1 VAL 95 HG13 VAL 95 131.992 -3.981 -0.225 744 3HG1 VAL 95 HG12 VAL 95 133.037 -2.825 0.601 745 1HG2 VAL 95 HG21 VAL 95 133.766 -5.212 -1.546 746 2HG2 VAL 95 HG23 VAL 95 135.169 -4.278 -2.067 747 3HG2 VAL 95 HG22 VAL 95 134.767 -4.382 -0.354 748 H ILE 96 HN ILE 96 130.225 -2.787 -3.276 749 HA ILE 96 HA ILE 96 130.480 0.098 -3.869 750 HB ILE 96 HB ILE 96 127.989 -1.630 -3.893 751 1HG1 ILE 96 HG12 ILE 96 129.697 -2.567 -5.411 752 2HG1 ILE 96 HG11 ILE 96 128.376 -1.844 -6.328 753 1HG2 ILE 96 HG23 ILE 96 127.779 0.902 -3.839 754 2HG2 ILE 96 HG22 ILE 96 128.591 0.924 -5.404 755 3HG2 ILE 96 HG21 ILE 96 127.033 0.116 -5.231 756 1HD1 ILE 96 HD11 ILE 96 131.014 -0.471 -5.713 757 2HD1 ILE 96 HD13 ILE 96 130.604 -1.228 -7.252 758 3HD1 ILE 96 HD12 ILE 96 129.705 0.184 -6.697 759 H ALA 97 HN ALA 97 130.307 1.521 -2.219 760 HA ALA 97 HA ALA 97 128.879 0.696 0.255 761 1HB ALA 97 HB3 ALA 97 131.294 1.829 0.044 762 2HB ALA 97 HB2 ALA 97 130.324 3.301 0.060 763 3HB ALA 97 HB1 ALA 97 130.229 2.169 1.408 764 H GLY 98 HN GLY 98 128.705 2.963 -2.412 765 1HA GLY 98 HA2 GLY 98 126.119 3.558 -2.597 766 2HA GLY 98 HA1 GLY 98 126.486 4.446 -1.117 767 H GLY 99 HN GLY 99 127.026 7.057 -3.591 768 1HA GLY 99 HA2 GLY 99 125.303 6.023 -1.471 769 2HA GLY 99 HA1 GLY 99 124.986 7.443 -2.469 770 H ALA 100 HN ALA 100 122.788 6.735 -2.794 771 HA ALA 100 HA ALA 100 122.088 4.174 -3.877 772 1HB ALA 100 HB2 ALA 100 120.678 6.855 -3.983 773 2HB ALA 100 HB1 ALA 100 119.958 5.351 -4.555 774 3HB ALA 100 HB3 ALA 100 120.375 5.536 -2.851 775 H GLN 101 HN GLN 101 123.152 7.188 -5.342 776 HA GLN 101 HA GLN 101 122.406 6.624 -8.044 777 1HB GLN 101 HB2 GLN 101 124.555 8.338 -6.798 778 2HB GLN 101 HB1 GLN 101 124.401 8.192 -8.549 779 1HG GLN 101 HG2 GLN 101 122.128 9.024 -8.482 780 2HG GLN 101 HG1 GLN 101 122.128 9.005 -6.718 781 1HE2 GLN 101 HE22 GLN 101 123.656 12.194 -8.666 782 2HE2 GLN 101 HE21 GLN 101 122.889 10.921 -9.486 783 H ILE 102 HN ILE 102 125.120 5.583 -6.066 784 HA ILE 102 HA ILE 102 126.588 4.454 -8.339 785 HB ILE 102 HB ILE 102 126.994 3.979 -5.371 786 1HG1 ILE 102 HG12 ILE 102 127.096 6.388 -5.912 787 2HG1 ILE 102 HG11 ILE 102 128.696 5.766 -5.519 788 1HG2 ILE 102 HG22 ILE 102 128.817 3.636 -7.771 789 2HG2 ILE 102 HG21 ILE 102 129.308 3.429 -6.090 790 3HG2 ILE 102 HG23 ILE 102 128.118 2.339 -6.802 791 1HD1 ILE 102 HD11 ILE 102 129.118 5.489 -7.988 792 2HD1 ILE 102 HD13 ILE 102 127.585 6.308 -8.288 793 3HD1 ILE 102 HD12 ILE 102 128.902 7.166 -7.486 794 H PHE 103 HN PHE 103 124.481 3.269 -5.742 795 HA PHE 103 HA PHE 103 124.819 0.473 -6.259 796 1HB PHE 103 HB2 PHE 103 122.539 2.059 -5.055 797 2HB PHE 103 HB1 PHE 103 122.520 0.300 -5.162 798 HD1 PHE 103 HD2 PHE 103 125.230 -0.522 -4.565 799 HD2 PHE 103 HD1 PHE 103 122.936 2.675 -2.841 800 HE1 PHE 103 HE2 PHE 103 126.589 -0.663 -2.497 801 HE2 PHE 103 HE1 PHE 103 124.296 2.534 -0.772 802 HZ PHE 103 HZ PHE 103 126.122 0.865 -0.600 803 H THR 104 HN THR 104 122.550 2.880 -7.560 804 HA THR 104 HA THR 104 120.962 1.079 -9.106 805 HB THR 104 HB THR 104 121.599 3.915 -9.927 806 HG1 THR 104 HG1 THR 104 120.413 4.636 -8.315 807 1HG2 THR 104 HG23 THR 104 119.223 2.065 -10.186 808 2HG2 THR 104 HG22 THR 104 119.123 3.796 -10.506 809 3HG2 THR 104 HG21 THR 104 120.183 2.780 -11.482 810 H ALA 105 HN ALA 105 124.008 2.747 -9.797 811 HA ALA 105 HA ALA 105 124.154 2.114 -12.584 812 1HB ALA 105 HB1 ALA 105 126.154 2.838 -10.466 813 2HB ALA 105 HB3 ALA 105 126.730 2.268 -12.033 814 3HB ALA 105 HB2 ALA 105 125.722 3.712 -11.936 815 H PHE 106 HN PHE 106 125.313 0.385 -9.694 816 HA PHE 106 HA PHE 106 126.012 -1.939 -11.427 817 1HB PHE 106 HB2 PHE 106 126.664 -1.457 -8.504 818 2HB PHE 106 HB1 PHE 106 127.285 -2.765 -9.511 819 HD1 PHE 106 HD1 PHE 106 128.114 -1.667 -11.969 820 HD2 PHE 106 HD2 PHE 106 128.273 0.169 -8.088 821 HE1 PHE 106 HE1 PHE 106 129.964 -0.203 -12.736 822 HE2 PHE 106 HE2 PHE 106 130.121 1.634 -8.857 823 HZ PHE 106 HZ PHE 106 130.966 1.448 -11.181 824 H LYS 107 HN LYS 107 123.254 -1.342 -10.926 825 HA LYS 107 HA LYS 107 122.257 -2.991 -8.752 826 1HB LYS 107 HB2 LYS 107 121.004 -1.058 -9.775 827 2HB LYS 107 HB1 LYS 107 120.764 -2.047 -11.216 828 1HG LYS 107 HG2 LYS 107 119.780 -3.816 -9.625 829 2HG LYS 107 HG1 LYS 107 119.709 -2.523 -8.427 830 1HD LYS 107 HD2 LYS 107 118.328 -1.169 -9.935 831 2HD LYS 107 HD1 LYS 107 118.435 -2.416 -11.178 832 1HE LYS 107 HE2 LYS 107 116.356 -2.830 -10.127 833 2HE LYS 107 HE1 LYS 107 117.447 -4.007 -9.397 834 1HZ LYS 107 HZ3 LYS 107 116.743 -1.366 -8.237 835 2HZ LYS 107 HZ2 LYS 107 116.108 -2.860 -7.736 836 3HZ LYS 107 HZ1 LYS 107 117.760 -2.523 -7.529 837 H ASP 108 HN ASP 108 122.777 -3.452 -12.229 838 HA ASP 108 HA ASP 108 121.795 -6.251 -12.005 839 1HB ASP 108 HB2 ASP 108 122.513 -4.495 -14.365 840 2HB ASP 108 HB1 ASP 108 122.159 -6.215 -14.529 841 H ASP 109 HN ASP 109 124.294 -5.450 -10.730 842 HA ASP 109 HA ASP 109 126.053 -7.448 -11.999 843 1HB ASP 109 HB2 ASP 109 126.850 -4.544 -11.641 844 2HB ASP 109 HB1 ASP 109 128.002 -5.846 -11.939 845 H VAL 110 HN VAL 110 125.058 -8.197 -9.791 846 HA VAL 110 HA VAL 110 127.185 -8.006 -7.803 847 HB VAL 110 HB VAL 110 125.897 -5.960 -7.291 848 1HG1 VAL 110 HG13 VAL 110 123.724 -6.981 -8.221 849 2HG1 VAL 110 HG12 VAL 110 123.547 -7.741 -6.639 850 3HG1 VAL 110 HG11 VAL 110 123.585 -5.982 -6.774 851 1HG2 VAL 110 HG23 VAL 110 125.662 -8.257 -5.332 852 2HG2 VAL 110 HG22 VAL 110 126.899 -7.001 -5.381 853 3HG2 VAL 110 HG21 VAL 110 125.251 -6.597 -4.902 854 H ASP 111 HN ASP 111 127.167 -9.817 -6.468 855 HA ASP 111 HA ASP 111 124.890 -11.716 -6.872 856 1HB ASP 111 HB2 ASP 111 126.579 -13.514 -6.411 857 2HB ASP 111 HB1 ASP 111 126.928 -12.590 -7.871 858 H THR 112 HN THR 112 127.325 -10.550 -4.550 859 HA THR 112 HA THR 112 125.787 -11.787 -2.329 860 HB THR 112 HB THR 112 128.397 -10.253 -2.178 861 HG1 THR 112 HG1 THR 112 129.378 -12.260 -2.302 862 1HG2 THR 112 HG22 THR 112 126.973 -12.180 -0.326 863 2HG2 THR 112 HG21 THR 112 128.626 -11.619 -0.080 864 3HG2 THR 112 HG23 THR 112 127.290 -10.469 -0.038 865 H LEU 113 HN LEU 113 124.524 -10.564 -0.989 866 HA LEU 113 HA LEU 113 124.653 -7.592 -1.320 867 1HB LEU 113 HB2 LEU 113 122.237 -9.303 -0.658 868 2HB LEU 113 HB1 LEU 113 122.241 -7.550 -0.851 869 HG LEU 113 HG LEU 113 123.195 -9.402 -3.040 870 1HD1 LEU 113 HD11 LEU 113 120.404 -8.304 -2.576 871 2HD1 LEU 113 HD13 LEU 113 120.941 -9.105 -4.052 872 3HD1 LEU 113 HD12 LEU 113 120.875 -10.003 -2.536 873 1HD2 LEU 113 HD23 LEU 113 122.346 -6.503 -2.849 874 2HD2 LEU 113 HD22 LEU 113 123.903 -7.145 -3.372 875 3HD2 LEU 113 HD21 LEU 113 122.479 -7.344 -4.393 876 H LEU 114 HN LEU 114 125.847 -6.998 0.466 877 HA LEU 114 HA LEU 114 125.240 -8.226 3.094 878 1HB LEU 114 HB2 LEU 114 127.336 -6.178 2.304 879 2HB LEU 114 HB1 LEU 114 127.208 -6.963 3.879 880 HG LEU 114 HG LEU 114 127.368 -8.666 1.415 881 1HD1 LEU 114 HD12 LEU 114 129.693 -7.289 2.791 882 2HD1 LEU 114 HD11 LEU 114 129.866 -8.655 1.690 883 3HD1 LEU 114 HD13 LEU 114 129.216 -7.125 1.101 884 1HD2 LEU 114 HD22 LEU 114 126.921 -9.653 3.649 885 2HD2 LEU 114 HD21 LEU 114 128.470 -10.195 3.001 886 3HD2 LEU 114 HD23 LEU 114 128.423 -8.949 4.249 887 H VAL 115 HN VAL 115 123.930 -7.222 4.545 888 HA VAL 115 HA VAL 115 123.631 -4.281 4.459 889 HB VAL 115 HB VAL 115 121.875 -5.133 2.950 890 1HG1 VAL 115 HG12 VAL 115 121.004 -6.722 5.381 891 2HG1 VAL 115 HG11 VAL 115 120.062 -6.553 3.901 892 3HG1 VAL 115 HG13 VAL 115 121.619 -7.381 3.865 893 1HG2 VAL 115 HG23 VAL 115 121.533 -3.219 4.704 894 2HG2 VAL 115 HG22 VAL 115 120.128 -3.855 3.849 895 3HG2 VAL 115 HG21 VAL 115 120.466 -4.376 5.500 896 H THR 116 HN THR 116 122.980 -3.412 6.468 897 HA THR 116 HA THR 116 123.014 -5.367 8.727 898 HB THR 116 HB THR 116 123.505 -2.382 8.881 899 HG1 THR 116 HG1 THR 116 125.693 -2.928 8.821 900 1HG2 THR 116 HG22 THR 116 122.892 -3.867 10.923 901 2HG2 THR 116 HG21 THR 116 124.517 -4.527 10.733 902 3HG2 THR 116 HG23 THR 116 124.296 -2.807 11.052 903 H ARG 117 HN ARG 117 120.977 -5.798 9.423 904 HA ARG 117 HA ARG 117 118.806 -3.858 9.030 905 1HB ARG 117 HB2 ARG 117 118.956 -6.652 10.167 906 2HB ARG 117 HB1 ARG 117 117.482 -5.690 10.268 907 1HG ARG 117 HG2 ARG 117 117.494 -5.418 7.811 908 2HG ARG 117 HG1 ARG 117 118.959 -6.397 7.713 909 1HD ARG 117 HD2 ARG 117 117.840 -8.357 8.391 910 2HD ARG 117 HD1 ARG 117 116.481 -7.456 9.062 911 HE ARG 117 HE ARG 117 116.786 -8.263 6.290 912 1HH1 ARG 117 HH21 ARG 117 115.441 -5.827 8.409 913 2HH1 ARG 117 HH22 ARG 117 114.214 -5.378 7.277 914 1HH2 ARG 117 HH11 ARG 117 115.182 -7.649 4.857 915 2HH2 ARG 117 HH12 ARG 117 114.067 -6.396 5.287 916 H LEU 118 HN LEU 118 118.504 -2.244 10.474 917 HA LEU 118 HA LEU 118 119.498 -2.572 13.252 918 1HB LEU 118 HB2 LEU 118 118.812 -0.255 11.495 919 2HB LEU 118 HB1 LEU 118 118.628 -0.045 13.236 920 HG LEU 118 HG LEU 118 121.027 -1.152 13.308 921 1HD1 LEU 118 HD12 LEU 118 120.913 0.081 10.538 922 2HD1 LEU 118 HD11 LEU 118 122.375 -0.489 11.342 923 3HD1 LEU 118 HD13 LEU 118 121.112 -1.635 10.895 924 1HD2 LEU 118 HD23 LEU 118 120.264 1.686 12.642 925 2HD2 LEU 118 HD22 LEU 118 120.807 1.020 14.182 926 3HD2 LEU 118 HD21 LEU 118 121.958 1.249 12.865 927 H ALA 119 HN ALA 119 117.937 -1.311 14.884 928 HA ALA 119 HA ALA 119 115.167 -2.344 14.405 929 1HB ALA 119 HB3 ALA 119 116.489 -3.563 16.177 930 2HB ALA 119 HB2 ALA 119 116.552 -2.052 17.086 931 3HB ALA 119 HB1 ALA 119 114.999 -2.827 16.769 932 H GLY 120 HN GLY 120 117.135 0.195 15.922 933 1HA GLY 120 HA2 GLY 120 114.970 1.807 16.866 934 2HA GLY 120 HA1 GLY 120 116.594 2.400 16.513 935 H SER 121 HN SER 121 113.806 3.459 15.862 936 HA SER 121 HA SER 121 113.810 3.413 12.907 937 1HB SER 121 HB2 SER 121 111.677 3.311 14.263 938 2HB SER 121 HB1 SER 121 111.993 4.967 14.773 939 HG SER 121 HG SER 121 110.785 5.204 12.987 940 H PHE 122 HN PHE 122 114.017 5.367 11.655 941 HA PHE 122 HA PHE 122 114.969 7.800 13.035 942 1HB PHE 122 HB2 PHE 122 116.661 6.374 10.960 943 2HB PHE 122 HB1 PHE 122 117.051 7.903 11.748 944 HD1 PHE 122 HD2 PHE 122 117.635 7.979 14.144 945 HD2 PHE 122 HD1 PHE 122 116.873 4.261 12.132 946 HE1 PHE 122 HE2 PHE 122 118.671 6.746 16.030 947 HE2 PHE 122 HE1 PHE 122 117.910 3.028 14.018 948 HZ PHE 122 HZ PHE 122 118.808 4.270 15.967 949 H GLU 123 HN GLU 123 115.214 9.620 11.447 950 HA GLU 123 HA GLU 123 113.396 9.222 9.101 951 1HB GLU 123 HB2 GLU 123 112.524 10.708 10.944 952 2HB GLU 123 HB1 GLU 123 113.876 11.797 10.628 953 1HG GLU 123 HG2 GLU 123 113.105 12.295 8.438 954 2HG GLU 123 HG1 GLU 123 111.993 10.926 8.432 955 H GLY 124 HN GLY 124 113.990 10.276 7.140 956 1HA GLY 124 HA2 GLY 124 116.215 12.026 6.821 957 2HA GLY 124 HA1 GLY 124 116.767 10.374 6.541 958 H ASP 125 HN ASP 125 117.064 11.677 4.344 959 HA ASP 125 HA ASP 125 114.569 11.361 2.724 960 1HB ASP 125 HB2 ASP 125 117.047 13.016 2.145 961 2HB ASP 125 HB1 ASP 125 115.610 12.925 1.125 962 H THR 126 HN THR 126 117.966 10.494 3.006 963 HA THR 126 HA THR 126 118.119 9.166 0.425 964 HB THR 126 HB THR 126 119.918 8.418 2.698 965 HG1 THR 126 HG1 THR 126 119.985 10.895 1.320 966 1HG2 THR 126 HG23 THR 126 120.072 8.791 -0.272 967 2HG2 THR 126 HG22 THR 126 121.545 8.927 0.688 968 3HG2 THR 126 HG21 THR 126 120.612 7.429 0.712 969 H LYS 127 HN LYS 127 117.289 7.198 -0.051 970 HA LYS 127 HA LYS 127 116.845 5.264 2.185 971 1HB LYS 127 HB2 LYS 127 114.972 6.014 -0.070 972 2HB LYS 127 HB1 LYS 127 114.789 4.526 0.858 973 1HG LYS 127 HG2 LYS 127 114.260 5.658 2.826 974 2HG LYS 127 HG1 LYS 127 115.075 7.136 2.313 975 1HD LYS 127 HD2 LYS 127 113.319 7.557 0.653 976 2HD LYS 127 HD1 LYS 127 112.515 6.051 1.100 977 1HE LYS 127 HE2 LYS 127 113.103 8.060 3.246 978 2HE LYS 127 HE1 LYS 127 111.737 8.346 2.166 979 1HZ LYS 127 HZ1 LYS 127 110.976 6.064 2.706 980 2HZ LYS 127 HZ3 LYS 127 112.201 5.965 3.874 981 3HZ LYS 127 HZ2 LYS 127 110.966 7.119 4.036 982 H MET 128 HN MET 128 116.521 2.978 1.244 983 HA MET 128 HA MET 128 118.679 2.504 -0.715 984 1HB MET 128 HB2 MET 128 118.468 1.153 1.400 985 2HB MET 128 HB1 MET 128 116.970 0.478 0.755 986 1HG MET 128 HG2 MET 128 118.754 -1.064 0.227 987 2HG MET 128 HG1 MET 128 118.273 -0.269 -1.270 988 1HE MET 128 HE2 MET 128 120.568 -1.893 -0.859 989 2HE MET 128 HE1 MET 128 121.042 -1.009 -2.306 990 3HE MET 128 HE3 MET 128 122.155 -1.134 -0.937 991 H ILE 129 HN ILE 129 118.347 1.411 -2.702 992 HA ILE 129 HA ILE 129 115.842 1.949 -4.024 993 HB ILE 129 HB ILE 129 116.848 0.617 -5.896 994 1HG1 ILE 129 HG12 ILE 129 119.291 0.375 -4.134 995 2HG1 ILE 129 HG11 ILE 129 118.080 -0.907 -4.202 996 1HG2 ILE 129 HG22 ILE 129 117.344 3.042 -5.556 997 2HG2 ILE 129 HG21 ILE 129 118.760 2.588 -4.607 998 3HG2 ILE 129 HG23 ILE 129 118.677 2.176 -6.319 999 1HD1 ILE 129 HD11 ILE 129 118.350 -0.763 -6.769 1000 2HD1 ILE 129 HD13 ILE 129 119.830 0.135 -6.428 1001 3HD1 ILE 129 HD12 ILE 129 119.653 -1.524 -5.856 1002 HA PRO 130 HA PRO 130 113.619 -1.831 -3.285 1003 1HB PRO 130 HB2 PRO 130 112.361 -2.093 -5.776 1004 2HB PRO 130 HB1 PRO 130 111.784 -1.119 -4.418 1005 1HG PRO 130 HG2 PRO 130 112.782 -0.215 -6.941 1006 2HG PRO 130 HG1 PRO 130 112.184 0.754 -5.587 1007 1HD PRO 130 HD2 PRO 130 114.942 0.254 -6.415 1008 2HD PRO 130 HD1 PRO 130 114.313 1.467 -5.288 1009 H LEU 131 HN LEU 131 115.077 -3.545 -3.150 1010 HA LEU 131 HA LEU 131 116.088 -4.729 -5.688 1011 1HB LEU 131 HB2 LEU 131 116.881 -5.126 -2.791 1012 2HB LEU 131 HB1 LEU 131 117.540 -6.083 -4.118 1013 HG LEU 131 HG LEU 131 117.598 -3.084 -4.283 1014 1HD1 LEU 131 HD11 LEU 131 119.345 -4.871 -2.605 1015 2HD1 LEU 131 HD13 LEU 131 120.008 -3.406 -3.330 1016 3HD1 LEU 131 HD12 LEU 131 118.657 -3.298 -2.201 1017 1HD2 LEU 131 HD21 LEU 131 118.189 -4.616 -6.211 1018 2HD2 LEU 131 HD23 LEU 131 119.481 -3.515 -5.733 1019 3HD2 LEU 131 HD22 LEU 131 119.538 -5.207 -5.241 1020 H ASN 132 HN ASN 132 115.750 -6.970 -6.125 1021 HA ASN 132 HA ASN 132 113.256 -8.034 -4.955 1022 1HB ASN 132 HB2 ASN 132 114.043 -8.022 -7.496 1023 2HB ASN 132 HB1 ASN 132 114.839 -9.521 -7.015 1024 1HD2 ASN 132 HD22 ASN 132 111.812 -11.254 -7.467 1025 2HD2 ASN 132 HD21 ASN 132 113.486 -11.184 -7.739 1026 H TRP 133 HN TRP 133 113.276 -9.533 -3.359 1027 HA TRP 133 HA TRP 133 115.861 -10.866 -2.714 1028 1HB TRP 133 HB2 TRP 133 113.340 -10.613 -1.049 1029 2HB TRP 133 HB1 TRP 133 114.876 -11.287 -0.507 1030 HD1 TRP 133 HD1 TRP 133 113.198 -7.989 -1.430 1031 HE1 TRP 133 HE1 TRP 133 114.663 -6.044 -0.582 1032 HE3 TRP 133 HE3 TRP 133 117.313 -10.590 0.113 1033 HZ2 TRP 133 HZ2 TRP 133 117.239 -5.645 0.595 1034 HZ3 TRP 133 HZ3 TRP 133 119.256 -9.405 1.093 1035 HH2 TRP 133 HH2 TRP 133 119.224 -6.937 1.336 1036 H ASP 134 HN ASP 134 113.353 -11.617 -4.636 1037 HA ASP 134 HA ASP 134 112.654 -14.257 -3.598 1038 1HB ASP 134 HB2 ASP 134 112.163 -12.925 -6.279 1039 2HB ASP 134 HB1 ASP 134 111.525 -14.506 -5.827 1040 H ASP 135 HN ASP 135 114.979 -12.908 -5.861 1041 HA ASP 135 HA ASP 135 115.840 -15.636 -6.670 1042 1HB ASP 135 HB2 ASP 135 115.518 -13.623 -8.298 1043 2HB ASP 135 HB1 ASP 135 117.067 -13.069 -7.662 1044 H PHE 136 HN PHE 136 116.298 -14.782 -3.955 1045 HA PHE 136 HA PHE 136 119.258 -14.996 -3.918 1046 1HB PHE 136 HB2 PHE 136 117.650 -12.865 -2.483 1047 2HB PHE 136 HB1 PHE 136 119.314 -13.270 -2.064 1048 HD1 PHE 136 HD1 PHE 136 121.154 -12.876 -3.676 1049 HD2 PHE 136 HD2 PHE 136 117.117 -11.668 -4.514 1050 HE1 PHE 136 HE1 PHE 136 121.970 -11.418 -5.510 1051 HE2 PHE 136 HE2 PHE 136 117.933 -10.212 -6.348 1052 HZ PHE 136 HZ PHE 136 120.360 -10.086 -6.845 1053 H THR 137 HN THR 137 120.032 -15.659 -1.720 1054 HA THR 137 HA THR 137 117.939 -16.829 0.030 1055 HB THR 137 HB THR 137 120.291 -18.528 -0.769 1056 HG1 THR 137 HG1 THR 137 117.786 -18.316 -2.078 1057 1HG2 THR 137 HG21 THR 137 117.579 -18.926 0.472 1058 2HG2 THR 137 HG23 THR 137 118.425 -20.276 -0.285 1059 3HG2 THR 137 HG22 THR 137 119.157 -19.430 1.078 1060 H LYS 138 HN LYS 138 118.643 -17.088 2.190 1061 HA LYS 138 HA LYS 138 120.977 -15.460 2.917 1062 1HB LYS 138 HB2 LYS 138 118.657 -15.621 4.131 1063 2HB LYS 138 HB1 LYS 138 119.353 -17.057 4.882 1064 1HG LYS 138 HG2 LYS 138 121.052 -15.837 5.945 1065 2HG LYS 138 HG1 LYS 138 120.895 -14.473 4.838 1066 1HD LYS 138 HD2 LYS 138 119.901 -13.803 6.926 1067 2HD LYS 138 HD1 LYS 138 118.581 -14.089 5.792 1068 1HE LYS 138 HE2 LYS 138 117.864 -15.230 7.716 1069 2HE LYS 138 HE1 LYS 138 118.596 -16.513 6.751 1070 1HZ LYS 138 HZ3 LYS 138 120.007 -14.986 8.870 1071 2HZ LYS 138 HZ2 LYS 138 119.320 -16.525 9.086 1072 3HZ LYS 138 HZ1 LYS 138 120.614 -16.313 8.005 1073 H VAL 139 HN VAL 139 122.971 -16.295 3.272 1074 HA VAL 139 HA VAL 139 123.200 -19.250 3.673 1075 HB VAL 139 HB VAL 139 125.531 -18.961 2.801 1076 1HG1 VAL 139 HG13 VAL 139 123.555 -19.549 1.342 1077 2HG1 VAL 139 HG12 VAL 139 123.430 -17.840 0.926 1078 3HG1 VAL 139 HG11 VAL 139 124.873 -18.751 0.484 1079 1HG2 VAL 139 HG22 VAL 139 125.673 -16.526 3.450 1080 2HG2 VAL 139 HG21 VAL 139 126.180 -16.854 1.792 1081 3HG2 VAL 139 HG23 VAL 139 124.588 -16.161 2.107 1082 H SER 140 HN SER 140 124.128 -16.087 4.886 1083 HA SER 140 HA SER 140 125.018 -17.374 7.407 1084 1HB SER 140 HB2 SER 140 127.081 -17.039 6.097 1085 2HB SER 140 HB1 SER 140 126.673 -15.340 5.878 1086 HG SER 140 HG SER 140 128.044 -15.493 7.623 1087 H SER 141 HN SER 141 125.062 -15.815 9.208 1088 HA SER 141 HA SER 141 124.127 -13.102 8.873 1089 1HB SER 141 HB2 SER 141 121.987 -14.102 8.392 1090 2HB SER 141 HB1 SER 141 122.139 -15.215 9.749 1091 HG SER 141 HG SER 141 121.586 -13.665 11.085 1092 H ARG 142 HN ARG 142 124.553 -11.964 10.744 1093 HA ARG 142 HA ARG 142 125.025 -13.530 13.244 1094 1HB ARG 142 HB2 ARG 142 127.159 -12.864 11.943 1095 2HB ARG 142 HB1 ARG 142 126.781 -11.212 12.430 1096 1HG ARG 142 HG2 ARG 142 127.151 -11.642 14.679 1097 2HG ARG 142 HG1 ARG 142 126.768 -13.357 14.520 1098 1HD ARG 142 HD2 ARG 142 129.230 -12.074 13.309 1099 2HD ARG 142 HD1 ARG 142 129.220 -12.875 14.882 1100 HE ARG 142 HE ARG 142 128.119 -14.709 13.050 1101 1HH1 ARG 142 HH11 ARG 142 131.152 -13.039 13.546 1102 2HH1 ARG 142 HH12 ARG 142 132.081 -14.303 12.819 1103 1HH2 ARG 142 HH21 ARG 142 129.360 -16.318 12.117 1104 2HH2 ARG 142 HH22 ARG 142 131.080 -16.140 12.018 1105 H THR 143 HN THR 143 124.104 -12.596 15.024 1106 HA THR 143 HA THR 143 122.805 -9.943 14.653 1107 HB THR 143 HB THR 143 122.361 -11.864 16.945 1108 HG1 THR 143 HG1 THR 143 121.826 -13.072 15.226 1109 1HG2 THR 143 HG22 THR 143 121.557 -9.409 16.922 1110 2HG2 THR 143 HG21 THR 143 120.419 -9.936 15.681 1111 3HG2 THR 143 HG23 THR 143 120.362 -10.654 17.290 1112 H VAL 144 HN VAL 144 123.107 -8.285 16.221 1113 HA VAL 144 HA VAL 144 125.151 -8.732 18.323 1114 HB VAL 144 HB VAL 144 125.372 -6.488 16.293 1115 1HG1 VAL 144 HG11 VAL 144 126.237 -5.961 18.546 1116 2HG1 VAL 144 HG13 VAL 144 127.217 -7.426 18.512 1117 3HG1 VAL 144 HG12 VAL 144 127.556 -6.114 17.384 1118 1HG2 VAL 144 HG22 VAL 144 126.779 -9.153 16.544 1119 2HG2 VAL 144 HG21 VAL 144 125.983 -8.472 15.126 1120 3HG2 VAL 144 HG23 VAL 144 127.510 -7.793 15.691 1121 H GLU 145 HN GLU 145 124.206 -7.968 20.139 1122 HA GLU 145 HA GLU 145 122.190 -5.796 19.926 1123 1HB GLU 145 HB2 GLU 145 122.945 -7.652 22.203 1124 2HB GLU 145 HB1 GLU 145 121.715 -6.393 22.319 1125 1HG GLU 145 HG2 GLU 145 120.492 -7.447 20.427 1126 2HG GLU 145 HG1 GLU 145 121.695 -8.737 20.394 1127 H ASP 146 HN ASP 146 122.734 -3.742 20.470 1128 HA ASP 146 HA ASP 146 125.395 -3.227 21.639 1129 1HB ASP 146 HB2 ASP 146 124.026 -1.932 19.698 1130 2HB ASP 146 HB1 ASP 146 123.523 -0.981 21.097 1131 H THR 147 HN THR 147 125.092 -1.007 23.143 1132 HA THR 147 HA THR 147 124.099 -1.992 25.638 1133 HB THR 147 HB THR 147 124.427 0.368 26.417 1134 HG1 THR 147 HG1 THR 147 125.109 1.873 24.922 1135 1HG2 THR 147 HG21 THR 147 126.294 -1.403 26.045 1136 2HG2 THR 147 HG23 THR 147 126.745 -0.408 24.660 1137 3HG2 THR 147 HG22 THR 147 126.771 0.278 26.284 1138 H ASN 148 HN ASN 148 122.725 0.291 23.273 1139 HA ASN 148 HA ASN 148 120.199 0.361 24.842 1140 1HB ASN 148 HB2 ASN 148 121.425 2.076 22.715 1141 2HB ASN 148 HB1 ASN 148 119.667 2.044 22.852 1142 1HD2 ASN 148 HD22 ASN 148 120.011 4.550 25.326 1143 2HD2 ASN 148 HD21 ASN 148 119.408 4.150 23.790 1144 HA PRO 149 HA PRO 149 118.024 -2.206 21.927 1145 1HB PRO 149 HB2 PRO 149 115.547 -0.893 21.930 1146 2HB PRO 149 HB1 PRO 149 116.076 -2.115 23.094 1147 1HG PRO 149 HG2 PRO 149 115.621 0.674 23.544 1148 2HG PRO 149 HG1 PRO 149 116.127 -0.557 24.710 1149 1HD PRO 149 HD2 PRO 149 117.733 1.495 23.389 1150 2HD PRO 149 HD1 PRO 149 118.143 0.478 24.779 1151 H ALA 150 HN ALA 150 117.838 1.276 21.377 1152 HA ALA 150 HA ALA 150 116.844 1.098 18.665 1153 1HB ALA 150 HB1 ALA 150 118.192 3.274 20.265 1154 2HB ALA 150 HB3 ALA 150 117.789 3.494 18.563 1155 3HB ALA 150 HB2 ALA 150 116.512 3.185 19.738 1156 H LEU 151 HN LEU 151 119.998 0.784 20.127 1157 HA LEU 151 HA LEU 151 121.356 1.114 17.513 1158 1HB LEU 151 HB2 LEU 151 122.370 0.703 20.335 1159 2HB LEU 151 HB1 LEU 151 123.430 0.712 18.925 1160 HG LEU 151 HG LEU 151 121.514 2.970 19.540 1161 1HD1 LEU 151 HD12 LEU 151 123.182 2.636 21.385 1162 2HD1 LEU 151 HD11 LEU 151 124.470 2.820 20.196 1163 3HD1 LEU 151 HD13 LEU 151 123.381 4.167 20.533 1164 1HD2 LEU 151 HD22 LEU 151 123.745 2.454 17.596 1165 2HD2 LEU 151 HD21 LEU 151 122.162 3.177 17.307 1166 3HD2 LEU 151 HD23 LEU 151 123.423 4.107 18.115 1167 H THR 152 HN THR 152 119.530 -1.227 18.253 1168 HA THR 152 HA THR 152 121.369 -3.515 18.374 1169 HB THR 152 HB THR 152 118.394 -3.537 17.797 1170 HG1 THR 152 HG1 THR 152 119.723 -3.720 20.293 1171 1HG2 THR 152 HG22 THR 152 120.460 -5.560 18.597 1172 2HG2 THR 152 HG21 THR 152 118.786 -5.786 19.102 1173 3HG2 THR 152 HG23 THR 152 119.184 -5.690 17.387 1174 H HIS 153 HN HIS 153 122.225 -4.493 16.593 1175 HA HIS 153 HA HIS 153 120.858 -4.106 13.970 1176 1HB HIS 153 HB2 HIS 153 123.113 -3.777 12.922 1177 2HB HIS 153 HB1 HIS 153 122.653 -2.468 14.010 1178 HD1 HIS 153 HD1 HIS 153 123.630 -2.768 16.566 1179 HD2 HIS 153 HD2 HIS 153 125.555 -4.915 13.555 1180 HE1 HIS 153 HE1 HIS 153 125.885 -3.444 17.499 1181 H THR 154 HN THR 154 121.399 -5.758 12.393 1182 HA THR 154 HA THR 154 122.765 -8.170 13.490 1183 HB THR 154 HB THR 154 120.121 -8.255 12.007 1184 HG1 THR 154 HG1 THR 154 119.167 -8.376 13.910 1185 1HG2 THR 154 HG21 THR 154 121.991 -10.188 12.129 1186 2HG2 THR 154 HG23 THR 154 121.163 -10.502 13.655 1187 3HG2 THR 154 HG22 THR 154 120.262 -10.541 12.139 1188 H TYR 155 HN TYR 155 124.448 -8.399 12.093 1189 HA TYR 155 HA TYR 155 124.516 -7.392 9.420 1190 1HB TYR 155 HB2 TYR 155 126.158 -9.592 10.713 1191 2HB TYR 155 HB1 TYR 155 126.541 -8.821 9.173 1192 HD1 TYR 155 HD1 TYR 155 126.473 -6.128 9.286 1193 HD2 TYR 155 HD2 TYR 155 127.206 -8.748 12.609 1194 HE1 TYR 155 HE1 TYR 155 127.607 -4.280 10.491 1195 HE2 TYR 155 HE2 TYR 155 128.341 -6.901 13.814 1196 HH TYR 155 HH TYR 155 128.024 -4.001 13.447 1197 H GLU 156 HN GLU 156 123.675 -8.218 7.572 1198 HA GLU 156 HA GLU 156 122.761 -11.069 7.601 1199 1HB GLU 156 HB2 GLU 156 121.546 -8.652 6.230 1200 2HB GLU 156 HB1 GLU 156 121.027 -10.313 5.941 1201 1HG GLU 156 HG2 GLU 156 121.179 -9.378 8.774 1202 2HG GLU 156 HG1 GLU 156 119.842 -8.792 7.785 1203 H VAL 157 HN VAL 157 123.770 -12.330 6.120 1204 HA VAL 157 HA VAL 157 125.187 -10.978 3.860 1205 HB VAL 157 HB VAL 157 125.749 -13.706 5.060 1206 1HG1 VAL 157 HG13 VAL 157 127.113 -11.972 2.992 1207 2HG1 VAL 157 HG12 VAL 157 127.954 -13.281 3.822 1208 3HG1 VAL 157 HG11 VAL 157 126.549 -13.634 2.815 1209 1HG2 VAL 157 HG22 VAL 157 126.795 -10.953 5.660 1210 2HG2 VAL 157 HG21 VAL 157 126.402 -12.261 6.776 1211 3HG2 VAL 157 HG23 VAL 157 127.876 -12.340 5.810 1212 H TRP 158 HN TRP 158 123.401 -11.014 2.415 1213 HA TRP 158 HA TRP 158 122.037 -13.557 1.850 1214 1HB TRP 158 HB2 TRP 158 121.838 -10.786 0.643 1215 2HB TRP 158 HB1 TRP 158 120.900 -12.161 0.061 1216 HD1 TRP 158 HD1 TRP 158 121.425 -10.035 3.220 1217 HE1 TRP 158 HE1 TRP 158 119.310 -10.213 4.684 1218 HE3 TRP 158 HE3 TRP 158 118.803 -13.519 0.562 1219 HZ2 TRP 158 HZ2 TRP 158 116.834 -11.644 4.722 1220 HZ3 TRP 158 HZ3 TRP 158 116.571 -14.270 1.333 1221 HH2 TRP 158 HH2 TRP 158 115.585 -13.338 3.408 1222 H GLN 159 HN GLN 159 122.051 -14.509 -0.324 1223 HA GLN 159 HA GLN 159 124.311 -13.748 -2.081 1224 1HB GLN 159 HB2 GLN 159 124.120 -16.276 -0.490 1225 2HB GLN 159 HB1 GLN 159 124.769 -16.373 -2.128 1226 1HG GLN 159 HG2 GLN 159 126.177 -14.264 -1.320 1227 2HG GLN 159 HG1 GLN 159 125.876 -14.968 0.270 1228 1HE2 GLN 159 HE22 GLN 159 128.362 -16.886 -2.352 1229 2HE2 GLN 159 HE21 GLN 159 127.420 -15.575 -2.878 1230 H LYS 160 HN LYS 160 123.823 -14.125 -4.219 1231 HA LYS 160 HA LYS 160 121.129 -14.794 -4.956 1232 1HB LYS 160 HB2 LYS 160 123.041 -13.453 -6.228 1233 2HB LYS 160 HB1 LYS 160 123.364 -15.037 -6.933 1234 1HG LYS 160 HG2 LYS 160 121.175 -15.197 -7.847 1235 2HG LYS 160 HG1 LYS 160 120.581 -13.867 -6.853 1236 1HD LYS 160 HD2 LYS 160 120.908 -12.989 -9.068 1237 2HD LYS 160 HD1 LYS 160 122.218 -12.360 -8.066 1238 1HE LYS 160 HE2 LYS 160 123.800 -13.852 -8.989 1239 2HE LYS 160 HE1 LYS 160 122.549 -14.913 -9.636 1240 1HZ LYS 160 HZ1 LYS 160 121.880 -12.976 -11.065 1241 2HZ LYS 160 HZ3 LYS 160 123.321 -12.219 -10.591 1242 3HZ LYS 160 HZ2 LYS 160 123.376 -13.687 -11.444 1243 H LYS 161 HN LYS 161 120.524 -16.642 -6.376 1244 HA LYS 161 HA LYS 161 121.463 -19.154 -5.259 1245 1HB LYS 161 HB2 LYS 161 119.588 -18.509 -7.551 1246 2HB LYS 161 HB1 LYS 161 119.914 -20.150 -6.992 1247 1HG LYS 161 HG2 LYS 161 119.040 -19.650 -4.797 1248 2HG LYS 161 HG1 LYS 161 118.899 -17.936 -5.190 1249 1HD LYS 161 HD2 LYS 161 117.145 -18.339 -6.759 1250 2HD LYS 161 HD1 LYS 161 117.438 -20.079 -6.745 1251 1HE LYS 161 HE2 LYS 161 116.722 -18.677 -4.187 1252 2HE LYS 161 HE1 LYS 161 115.451 -19.095 -5.336 1253 1HZ LYS 161 HZ1 LYS 161 117.445 -21.014 -4.261 1254 2HZ LYS 161 HZ3 LYS 161 115.865 -20.839 -3.669 1255 3HZ LYS 161 HZ2 LYS 161 116.118 -21.380 -5.260 1256 H ALA 162 HN ALA 162 123.570 -19.637 -5.808 1257 HA ALA 162 HA ALA 162 124.108 -20.092 -8.698 1258 1HB ALA 162 HB1 ALA 162 125.762 -18.422 -6.801 1259 2HB ALA 162 HB3 ALA 162 126.478 -19.180 -8.223 1260 3HB ALA 162 HB2 ALA 162 125.183 -17.998 -8.412 1261 1HN2 MTX 170 1HN2 MTX 170 126.427 -1.321 7.603 1262 2HN2 MTX 170 2HN2 MTX 170 126.523 -1.857 5.996 1263 1HN4 MTX 170 1HN4 MTX 170 128.440 0.848 2.629 1264 2HN4 MTX 170 2HN4 MTX 170 129.047 2.384 3.016 1265 H7 MTX 170 H7 MTX 170 129.143 5.057 8.269 1266 1H9 MTX 170 H91 MTX 170 129.266 6.488 5.358 1267 2H9 MTX 170 H92 MTX 170 130.775 5.619 5.047 1268 1HM MTX 170 HM1 MTX 170 129.902 7.360 8.650 1269 2HM MTX 170 HM2 MTX 170 128.890 7.608 7.196 1270 3HM MTX 170 HM3 MTX 170 130.415 8.523 7.391 1271 H12 MTX 170 H13 MTX 170 134.771 7.568 8.683 1272 H13 MTX 170 H12 MTX 170 132.455 8.177 7.976 1273 H15 MTX 170 H16 MTX 170 131.774 4.080 6.722 1274 H16 MTX 170 H15 MTX 170 134.092 3.483 7.432 1275 HN MTX 170 HN MTX 170 135.214 3.533 9.580 1276 HA MTX 170 HA MTX 170 138.025 4.450 9.670 1277 1HB MTX 170 HB1 MTX 170 137.169 2.097 11.323 1278 2HB MTX 170 HB2 MTX 170 136.385 3.619 11.718 1279 1HG MTX 170 HG1 MTX 170 138.530 4.714 12.116 1280 2HG MTX 170 HG2 MTX 170 139.423 3.377 11.395 1281 HN1 MTX 170 H1N MTX 170 127.235 0.767 8.205 No H/Q in entry = 1281 Start of MODEL 21 1 1H THR 1 HT1 THR 1 132.668 -8.902 -6.854 2 2H THR 1 HT3 THR 1 133.120 -7.767 -8.031 3 3H THR 1 HT2 THR 1 133.193 -7.355 -6.384 4 HA THR 1 HA THR 1 131.264 -6.319 -7.236 5 HB THR 1 HB THR 1 129.506 -7.783 -8.337 6 HG1 THR 1 HG1 THR 1 129.925 -9.823 -8.272 7 1HG2 THR 1 HG21 THR 1 131.094 -6.285 -9.582 8 2HG2 THR 1 HG23 THR 1 132.165 -7.673 -9.784 9 3HG2 THR 1 HG22 THR 1 130.559 -7.685 -10.514 10 H ALA 2 HN ALA 2 130.773 -6.038 -5.061 11 HA ALA 2 HA ALA 2 128.900 -7.995 -3.893 12 1HB ALA 2 HB3 ALA 2 131.165 -8.725 -3.135 13 2HB ALA 2 HB2 ALA 2 131.402 -7.136 -2.410 14 3HB ALA 2 HB1 ALA 2 130.138 -8.204 -1.800 15 H PHE 3 HN PHE 3 127.252 -6.836 -3.039 16 HA PHE 3 HA PHE 3 127.469 -3.941 -2.735 17 1HB PHE 3 HB2 PHE 3 125.303 -5.989 -2.515 18 2HB PHE 3 HB1 PHE 3 125.064 -4.455 -1.682 19 HD1 PHE 3 HD1 PHE 3 126.741 -5.286 -4.942 20 HD2 PHE 3 HD2 PHE 3 123.588 -3.159 -2.940 21 HE1 PHE 3 HE1 PHE 3 126.099 -4.217 -7.085 22 HE2 PHE 3 HE2 PHE 3 122.949 -2.091 -5.084 23 HZ PHE 3 HZ PHE 3 124.204 -2.620 -7.156 24 H LEU 4 HN LEU 4 127.210 -2.789 -0.733 25 HA LEU 4 HA LEU 4 127.170 -4.257 1.803 26 1HB LEU 4 HB2 LEU 4 129.572 -4.379 1.050 27 2HB LEU 4 HB1 LEU 4 129.622 -2.617 1.105 28 HG LEU 4 HG LEU 4 128.744 -2.882 3.535 29 1HD1 LEU 4 HD11 LEU 4 129.567 -5.679 2.793 30 2HD1 LEU 4 HD13 LEU 4 129.759 -5.118 4.454 31 3HD1 LEU 4 HD12 LEU 4 128.160 -5.144 3.711 32 1HD2 LEU 4 HD22 LEU 4 131.090 -2.225 2.742 33 2HD2 LEU 4 HD21 LEU 4 130.988 -2.926 4.357 34 3HD2 LEU 4 HD23 LEU 4 131.541 -3.910 3.002 35 H TRP 5 HN TRP 5 125.697 -3.008 2.865 36 HA TRP 5 HA TRP 5 126.288 -0.179 3.311 37 1HB TRP 5 HB2 TRP 5 124.283 0.731 2.331 38 2HB TRP 5 HB1 TRP 5 125.079 -0.233 1.094 39 HD1 TRP 5 HD1 TRP 5 121.826 0.268 2.687 40 HE1 TRP 5 HE1 TRP 5 120.195 -1.642 2.113 41 HE3 TRP 5 HE3 TRP 5 125.094 -3.139 0.720 42 HZ2 TRP 5 HZ2 TRP 5 120.262 -4.261 0.978 43 HZ3 TRP 5 HZ3 TRP 5 124.279 -5.331 -0.092 44 HH2 TRP 5 HH2 TRP 5 121.870 -5.895 0.030 45 H ALA 6 HN ALA 6 124.509 0.800 4.764 46 HA ALA 6 HA ALA 6 123.363 -1.328 6.532 47 1HB ALA 6 HB3 ALA 6 124.813 1.224 7.254 48 2HB ALA 6 HB2 ALA 6 123.748 0.406 8.397 49 3HB ALA 6 HB1 ALA 6 125.177 -0.420 7.775 50 H GLN 7 HN GLN 7 121.210 -1.047 7.033 51 HA GLN 7 HA GLN 7 119.978 1.625 6.645 52 1HB GLN 7 HB2 GLN 7 118.128 0.593 5.302 53 2HB GLN 7 HB1 GLN 7 119.685 0.581 4.472 54 1HG GLN 7 HG2 GLN 7 120.048 -1.739 5.041 55 2HG GLN 7 HG1 GLN 7 118.626 -1.755 6.084 56 1HE2 GLN 7 HE22 GLN 7 116.337 -1.656 3.244 57 2HE2 GLN 7 HE21 GLN 7 116.522 -0.961 4.781 58 H ASP 8 HN ASP 8 117.617 1.543 7.398 59 HA ASP 8 HA ASP 8 117.412 -0.301 9.746 60 1HB ASP 8 HB2 ASP 8 115.951 1.477 10.738 61 2HB ASP 8 HB1 ASP 8 117.595 2.034 10.428 62 H ARG 9 HN ARG 9 114.764 -0.067 10.363 63 HA ARG 9 HA ARG 9 113.473 -1.788 8.510 64 1HB ARG 9 HB2 ARG 9 111.401 -1.280 9.774 65 2HB ARG 9 HB1 ARG 9 112.756 -1.609 10.852 66 1HG ARG 9 HG2 ARG 9 113.131 0.942 10.876 67 2HG ARG 9 HG1 ARG 9 111.524 1.062 10.161 68 1HD ARG 9 HD2 ARG 9 111.657 -0.725 12.503 69 2HD ARG 9 HD1 ARG 9 112.034 0.956 12.860 70 HE ARG 9 HE ARG 9 109.805 1.554 12.326 71 1HH1 ARG 9 HH21 ARG 9 110.437 -1.778 11.447 72 2HH1 ARG 9 HH22 ARG 9 108.768 -2.118 11.164 73 1HH2 ARG 9 HH11 ARG 9 107.663 1.059 11.943 74 2HH2 ARG 9 HH12 ARG 9 107.216 -0.536 11.439 75 H ASP 10 HN ASP 10 113.336 1.744 8.861 76 HA ASP 10 HA ASP 10 111.259 2.217 6.956 77 1HB ASP 10 HB2 ASP 10 113.622 3.999 7.622 78 2HB ASP 10 HB1 ASP 10 112.103 4.512 6.885 79 H GLY 11 HN GLY 11 114.796 2.016 6.589 80 1HA GLY 11 HA2 GLY 11 115.684 0.942 4.540 81 2HA GLY 11 HA1 GLY 11 114.362 1.696 3.647 82 H LEU 12 HN LEU 12 116.167 3.398 6.131 83 HA LEU 12 HA LEU 12 117.043 5.353 4.080 84 1HB LEU 12 HB2 LEU 12 115.897 6.101 6.200 85 2HB LEU 12 HB1 LEU 12 117.303 5.524 7.095 86 HG LEU 12 HG LEU 12 118.669 7.010 5.445 87 1HD1 LEU 12 HD13 LEU 12 115.842 7.779 4.911 88 2HD1 LEU 12 HD12 LEU 12 117.009 9.096 5.044 89 3HD1 LEU 12 HD11 LEU 12 117.243 7.828 3.840 90 1HD2 LEU 12 HD23 LEU 12 118.299 7.413 7.903 91 2HD2 LEU 12 HD22 LEU 12 118.465 8.895 6.961 92 3HD2 LEU 12 HD21 LEU 12 116.869 8.355 7.483 93 H ILE 13 HN ILE 13 119.223 5.821 3.710 94 HA ILE 13 HA ILE 13 121.178 3.951 4.994 95 HB ILE 13 HB ILE 13 122.508 4.217 2.882 96 1HG1 ILE 13 HG12 ILE 13 119.967 5.523 1.857 97 2HG1 ILE 13 HG11 ILE 13 121.450 6.399 2.233 98 1HG2 ILE 13 HG21 ILE 13 120.932 2.307 3.283 99 2HG2 ILE 13 HG23 ILE 13 119.678 3.219 2.441 100 3HG2 ILE 13 HG22 ILE 13 121.125 2.703 1.575 101 1HD1 ILE 13 HD11 ILE 13 121.534 4.046 0.364 102 2HD1 ILE 13 HD13 ILE 13 121.028 5.627 -0.232 103 3HD1 ILE 13 HD12 ILE 13 122.635 5.420 0.467 104 H GLY 14 HN GLY 14 120.546 7.262 3.947 105 1HA GLY 14 HA2 GLY 14 122.689 8.193 5.761 106 2HA GLY 14 HA1 GLY 14 122.818 8.675 4.068 107 H LYS 15 HN LYS 15 122.614 10.889 5.084 108 HA LYS 15 HA LYS 15 119.938 11.898 4.710 109 1HB LYS 15 HB2 LYS 15 119.962 10.826 7.089 110 2HB LYS 15 HB1 LYS 15 120.927 12.234 7.535 111 1HG LYS 15 HG2 LYS 15 119.159 13.729 6.707 112 2HG LYS 15 HG1 LYS 15 118.195 12.335 6.222 113 1HD LYS 15 HD2 LYS 15 117.277 12.777 8.309 114 2HD LYS 15 HD1 LYS 15 118.535 11.621 8.747 115 1HE LYS 15 HE2 LYS 15 120.078 13.563 9.170 116 2HE LYS 15 HE1 LYS 15 118.705 14.642 8.913 117 1HZ LYS 15 HZ2 LYS 15 117.551 13.264 10.678 118 2HZ LYS 15 HZ1 LYS 15 119.085 12.635 11.052 119 3HZ LYS 15 HZ3 LYS 15 118.791 14.298 11.207 120 H ASP 16 HN ASP 16 120.589 13.652 3.558 121 HA ASP 16 HA ASP 16 121.670 15.657 3.013 122 1HB ASP 16 HB2 ASP 16 121.922 15.725 6.032 123 2HB ASP 16 HB1 ASP 16 122.366 17.072 4.984 124 H GLY 17 HN GLY 17 123.224 13.114 3.183 125 1HA GLY 17 HA2 GLY 17 125.507 12.820 2.458 126 2HA GLY 17 HA1 GLY 17 125.917 14.362 3.212 127 H HIS 18 HN HIS 18 124.826 13.982 5.764 128 HA HIS 18 HA HIS 18 126.757 12.021 6.861 129 1HB HIS 18 HB2 HIS 18 126.160 13.082 9.054 130 2HB HIS 18 HB1 HIS 18 126.792 14.230 7.873 131 HD1 HIS 18 HD1 HIS 18 123.559 13.136 9.494 132 HD2 HIS 18 HD2 HIS 18 124.955 16.197 7.032 133 HE1 HIS 18 HE1 HIS 18 121.697 14.846 9.350 134 H LEU 19 HN LEU 19 125.962 10.685 8.769 135 HA LEU 19 HA LEU 19 123.424 9.379 8.001 136 1HB LEU 19 HB2 LEU 19 125.805 8.638 9.652 137 2HB LEU 19 HB1 LEU 19 124.268 7.853 10.021 138 HG LEU 19 HG LEU 19 125.128 8.016 7.158 139 1HD1 LEU 19 HD11 LEU 19 126.214 6.065 9.212 140 2HD1 LEU 19 HD13 LEU 19 126.353 5.853 7.467 141 3HD1 LEU 19 HD12 LEU 19 127.148 7.214 8.257 142 1HD2 LEU 19 HD23 LEU 19 123.418 6.290 8.920 143 2HD2 LEU 19 HD22 LEU 19 123.037 7.011 7.355 144 3HD2 LEU 19 HD21 LEU 19 124.087 5.596 7.442 145 HA PRO 20 HA PRO 20 121.148 11.095 11.429 146 1HB PRO 20 HB2 PRO 20 119.278 9.040 11.701 147 2HB PRO 20 HB1 PRO 20 119.170 10.389 10.560 148 1HG PRO 20 HG2 PRO 20 119.593 7.608 9.992 149 2HG PRO 20 HG1 PRO 20 119.418 8.950 8.853 150 1HD PRO 20 HD2 PRO 20 121.847 7.569 9.700 151 2HD PRO 20 HD1 PRO 20 121.609 8.696 8.354 152 H TRP 21 HN TRP 21 122.199 7.721 11.662 153 HA TRP 21 HA TRP 21 122.135 7.947 14.641 154 1HB TRP 21 HB2 TRP 21 122.334 5.449 14.598 155 2HB TRP 21 HB1 TRP 21 120.869 6.041 13.815 156 HD1 TRP 21 HD1 TRP 21 124.405 4.792 12.925 157 HE1 TRP 21 HE1 TRP 21 124.337 3.794 10.548 158 HE3 TRP 21 HE3 TRP 21 119.591 5.905 11.640 159 HZ2 TRP 21 HZ2 TRP 21 122.483 3.508 8.388 160 HZ3 TRP 21 HZ3 TRP 21 118.700 5.261 9.419 161 HH2 TRP 21 HH2 TRP 21 120.140 4.064 7.793 162 H HIS 22 HN HIS 22 123.996 6.179 15.430 163 HA HIS 22 HA HIS 22 126.511 6.643 13.948 164 1HB HIS 22 HB2 HIS 22 126.205 8.613 15.485 165 2HB HIS 22 HB1 HIS 22 126.218 7.491 16.845 166 HD1 HIS 22 HD1 HIS 22 128.440 8.296 13.840 167 HD2 HIS 22 HD2 HIS 22 128.765 7.041 17.802 168 HE1 HIS 22 HE1 HIS 22 130.917 8.140 14.340 169 H LEU 23 HN LEU 23 126.846 4.433 13.734 170 HA LEU 23 HA LEU 23 126.972 2.848 16.265 171 1HB LEU 23 HB2 LEU 23 125.379 2.271 14.194 172 2HB LEU 23 HB1 LEU 23 126.851 1.490 13.613 173 HG LEU 23 HG LEU 23 127.014 0.323 15.843 174 1HD1 LEU 23 HD12 LEU 23 124.398 1.772 16.178 175 2HD1 LEU 23 HD11 LEU 23 124.670 0.234 16.997 176 3HD1 LEU 23 HD13 LEU 23 125.727 1.606 17.325 177 1HD2 LEU 23 HD21 LEU 23 124.788 -0.075 13.876 178 2HD2 LEU 23 HD23 LEU 23 126.181 -1.105 14.211 179 3HD2 LEU 23 HD22 LEU 23 124.816 -1.078 15.327 180 HA PRO 24 HA PRO 24 131.373 2.818 15.125 181 1HB PRO 24 HB2 PRO 24 132.167 1.805 17.608 182 2HB PRO 24 HB1 PRO 24 132.054 3.517 17.177 183 1HG PRO 24 HG2 PRO 24 130.428 2.039 19.018 184 2HG PRO 24 HG1 PRO 24 130.352 3.761 18.620 185 1HD PRO 24 HD2 PRO 24 128.610 1.595 17.729 186 2HD PRO 24 HD1 PRO 24 128.377 3.345 17.594 187 H ASP 25 HN ASP 25 129.527 0.190 16.578 188 HA ASP 25 HA ASP 25 131.451 -1.900 16.167 189 1HB ASP 25 HB2 ASP 25 129.391 -2.053 17.619 190 2HB ASP 25 HB1 ASP 25 128.432 -2.169 16.144 191 H ASP 26 HN ASP 26 128.772 -0.674 14.161 192 HA ASP 26 HA ASP 26 129.141 -2.567 12.022 193 1HB ASP 26 HB2 ASP 26 127.073 -1.188 12.375 194 2HB ASP 26 HB1 ASP 26 127.981 0.231 11.853 195 H LEU 27 HN LEU 27 130.592 0.546 12.797 196 HA LEU 27 HA LEU 27 131.825 1.016 10.241 197 1HB LEU 27 HB2 LEU 27 132.455 1.961 13.044 198 2HB LEU 27 HB1 LEU 27 133.411 2.459 11.648 199 HG LEU 27 HG LEU 27 130.404 2.773 11.769 200 1HD1 LEU 27 HD13 LEU 27 131.738 4.051 13.569 201 2HD1 LEU 27 HD12 LEU 27 132.421 4.974 12.230 202 3HD1 LEU 27 HD11 LEU 27 130.683 5.005 12.526 203 1HD2 LEU 27 HD22 LEU 27 132.609 3.872 10.004 204 2HD2 LEU 27 HD21 LEU 27 131.273 2.825 9.522 205 3HD2 LEU 27 HD23 LEU 27 130.959 4.496 9.991 206 H HIS 28 HN HIS 28 132.785 -0.816 13.102 207 HA HIS 28 HA HIS 28 135.512 -1.281 12.323 208 1HB HIS 28 HB2 HIS 28 133.698 -3.017 14.027 209 2HB HIS 28 HB1 HIS 28 135.460 -3.093 13.977 210 HD1 HIS 28 HD1 HIS 28 135.981 0.001 13.945 211 HD2 HIS 28 HD2 HIS 28 133.440 -1.949 16.612 212 HE1 HIS 28 HE1 HIS 28 135.777 1.508 15.971 213 H TYR 29 HN TYR 29 132.470 -2.929 11.607 214 HA TYR 29 HA TYR 29 133.715 -5.210 10.312 215 1HB TYR 29 HB2 TYR 29 131.321 -5.031 11.279 216 2HB TYR 29 HB1 TYR 29 130.916 -4.222 9.765 217 HD1 TYR 29 HD2 TYR 29 132.915 -7.219 10.847 218 HD2 TYR 29 HD1 TYR 29 130.036 -5.588 8.106 219 HE1 TYR 29 HE2 TYR 29 132.745 -9.419 9.716 220 HE2 TYR 29 HE1 TYR 29 129.866 -7.789 6.976 221 HH TYR 29 HH TYR 29 131.396 -9.841 6.712 222 H PHE 30 HN PHE 30 132.647 -2.021 9.292 223 HA PHE 30 HA PHE 30 132.678 -2.515 6.457 224 1HB PHE 30 HB2 PHE 30 131.610 -0.527 7.572 225 2HB PHE 30 HB1 PHE 30 133.228 0.105 7.883 226 HD1 PHE 30 HD2 PHE 30 130.956 -1.031 5.144 227 HD2 PHE 30 HD1 PHE 30 134.411 1.285 6.214 228 HE1 PHE 30 HE2 PHE 30 131.034 -0.086 2.852 229 HE2 PHE 30 HE1 PHE 30 134.489 2.230 3.923 230 HZ PHE 30 HZ PHE 30 132.800 1.544 2.241 231 H ARG 31 HN ARG 31 135.168 -1.720 8.808 232 HA ARG 31 HA ARG 31 137.209 -0.990 6.900 233 1HB ARG 31 HB2 ARG 31 137.284 -0.433 9.344 234 2HB ARG 31 HB1 ARG 31 137.572 -2.141 9.682 235 1HG ARG 31 HG2 ARG 31 139.591 -2.035 8.199 236 2HG ARG 31 HG1 ARG 31 139.337 -0.296 8.047 237 1HD ARG 31 HD2 ARG 31 139.993 0.130 10.210 238 2HD ARG 31 HD1 ARG 31 139.391 -1.416 10.808 239 HE ARG 31 HE ARG 31 141.514 -2.337 10.390 240 1HH1 ARG 31 HH11 ARG 31 141.130 0.640 8.596 241 2HH1 ARG 31 HH12 ARG 31 142.772 0.642 8.053 242 1HH2 ARG 31 HH21 ARG 31 143.632 -2.293 9.666 243 2HH2 ARG 31 HH22 ARG 31 144.174 -0.998 8.652 244 H ALA 32 HN ALA 32 136.225 -4.044 8.408 245 HA ALA 32 HA ALA 32 138.426 -5.599 7.371 246 1HB ALA 32 HB2 ALA 32 136.869 -6.243 9.288 247 2HB ALA 32 HB1 ALA 32 135.668 -6.639 8.058 248 3HB ALA 32 HB3 ALA 32 137.196 -7.517 8.113 249 H GLN 33 HN GLN 33 135.301 -4.621 6.099 250 HA GLN 33 HA GLN 33 135.660 -6.367 3.723 251 1HB GLN 33 HB2 GLN 33 133.359 -4.524 4.444 252 2HB GLN 33 HB1 GLN 33 133.374 -5.721 3.148 253 1HG GLN 33 HG2 GLN 33 133.856 -6.472 6.036 254 2HG GLN 33 HG1 GLN 33 132.239 -6.435 5.331 255 1HE2 GLN 33 HE22 GLN 33 134.461 -9.680 4.735 256 2HE2 GLN 33 HE21 GLN 33 134.740 -8.538 5.960 257 H THR 34 HN THR 34 137.530 -4.244 4.044 258 HA THR 34 HA THR 34 136.967 -2.735 1.563 259 HB THR 34 HB THR 34 137.833 -0.625 2.788 260 HG1 THR 34 HG1 THR 34 136.835 -2.095 4.993 261 1HG2 THR 34 HG23 THR 34 135.517 -0.907 1.984 262 2HG2 THR 34 HG22 THR 34 135.105 -1.755 3.475 263 3HG2 THR 34 HG21 THR 34 135.555 -0.051 3.526 264 H VAL 35 HN VAL 35 139.276 -3.306 4.226 265 HA VAL 35 HA VAL 35 141.619 -2.481 2.823 266 HB VAL 35 HB VAL 35 142.829 -3.934 4.475 267 1HG1 VAL 35 HG13 VAL 35 140.687 -1.990 5.313 268 2HG1 VAL 35 HG12 VAL 35 141.707 -2.765 6.526 269 3HG1 VAL 35 HG11 VAL 35 142.436 -1.761 5.272 270 1HG2 VAL 35 HG21 VAL 35 140.894 -5.641 4.477 271 2HG2 VAL 35 HG23 VAL 35 141.630 -5.268 6.037 272 3HG2 VAL 35 HG22 VAL 35 140.086 -4.540 5.594 273 H GLY 36 HN GLY 36 143.082 -3.644 1.538 274 1HA GLY 36 HA2 GLY 36 143.793 -5.299 0.035 275 2HA GLY 36 HA1 GLY 36 142.979 -6.466 1.078 276 H LYS 37 HN LYS 37 141.295 -3.760 -0.394 277 HA LYS 37 HA LYS 37 140.220 -5.411 -2.577 278 1HB LYS 37 HB2 LYS 37 138.585 -4.583 -0.177 279 2HB LYS 37 HB1 LYS 37 137.831 -4.873 -1.746 280 1HG LYS 37 HG2 LYS 37 138.973 -7.135 -1.766 281 2HG LYS 37 HG1 LYS 37 139.437 -6.835 -0.090 282 1HD LYS 37 HD2 LYS 37 137.040 -6.528 0.496 283 2HD LYS 37 HD1 LYS 37 136.605 -6.918 -1.170 284 1HE LYS 37 HE2 LYS 37 137.591 -9.138 -0.951 285 2HE LYS 37 HE1 LYS 37 138.162 -8.756 0.673 286 1HZ LYS 37 HZ1 LYS 37 135.304 -8.693 -0.118 287 2HZ LYS 37 HZ3 LYS 37 136.050 -10.045 0.584 288 3HZ LYS 37 HZ2 LYS 37 135.944 -8.588 1.453 289 H ILE 38 HN ILE 38 138.270 -3.974 -3.578 290 HA ILE 38 HA ILE 38 139.421 -1.238 -3.869 291 HB ILE 38 HB ILE 38 137.460 -2.675 -5.682 292 1HG1 ILE 38 HG12 ILE 38 140.422 -2.251 -6.142 293 2HG1 ILE 38 HG11 ILE 38 139.778 -3.735 -5.437 294 1HG2 ILE 38 HG22 ILE 38 139.176 -0.203 -6.073 295 2HG2 ILE 38 HG21 ILE 38 138.129 -0.927 -7.295 296 3HG2 ILE 38 HG23 ILE 38 137.428 -0.214 -5.842 297 1HD1 ILE 38 HD11 ILE 38 138.222 -3.837 -7.477 298 2HD1 ILE 38 HD13 ILE 38 139.258 -2.601 -8.189 299 3HD1 ILE 38 HD12 ILE 38 139.927 -4.178 -7.768 300 H MET 39 HN MET 39 138.348 0.341 -2.803 301 HA MET 39 HA MET 39 135.556 -0.120 -1.933 302 1HB MET 39 HB2 MET 39 137.537 0.906 -0.525 303 2HB MET 39 HB1 MET 39 137.090 2.395 -1.357 304 1HG MET 39 HG2 MET 39 134.688 1.922 -0.628 305 2HG MET 39 HG1 MET 39 135.358 0.681 0.433 306 1HE MET 39 HE2 MET 39 135.437 4.068 -0.862 307 2HE MET 39 HE1 MET 39 135.637 5.165 0.502 308 3HE MET 39 HE3 MET 39 137.055 4.464 -0.289 309 H VAL 40 HN VAL 40 134.035 0.412 -3.427 310 HA VAL 40 HA VAL 40 134.538 2.716 -5.243 311 HB VAL 40 HB VAL 40 132.306 0.664 -5.337 312 1HG1 VAL 40 HG11 VAL 40 133.359 2.653 -7.373 313 2HG1 VAL 40 HG13 VAL 40 132.093 1.464 -7.674 314 3HG1 VAL 40 HG12 VAL 40 131.820 2.766 -6.518 315 1HG2 VAL 40 HG21 VAL 40 134.644 -0.281 -5.584 316 2HG2 VAL 40 HG23 VAL 40 133.613 -0.504 -6.998 317 3HG2 VAL 40 HG22 VAL 40 134.843 0.759 -6.995 318 H VAL 41 HN VAL 41 133.706 4.635 -4.596 319 HA VAL 41 HA VAL 41 131.044 4.646 -3.251 320 HB VAL 41 HB VAL 41 131.890 6.464 -1.744 321 1HG1 VAL 41 HG12 VAL 41 133.191 3.732 -1.654 322 2HG1 VAL 41 HG11 VAL 41 133.321 4.896 -0.334 323 3HG1 VAL 41 HG13 VAL 41 131.742 4.266 -0.802 324 1HG2 VAL 41 HG23 VAL 41 133.829 7.060 -3.245 325 2HG2 VAL 41 HG22 VAL 41 134.278 6.841 -1.554 326 3HG2 VAL 41 HG21 VAL 41 134.616 5.569 -2.729 327 H GLY 42 HN GLY 42 129.931 6.733 -3.472 328 1HA GLY 42 HA2 GLY 42 130.680 8.080 -6.014 329 2HA GLY 42 HA1 GLY 42 129.095 8.156 -5.243 330 H ARG 43 HN ARG 43 129.430 10.543 -5.615 331 HA ARG 43 HA ARG 43 131.439 11.932 -4.029 332 1HB ARG 43 HB2 ARG 43 129.175 12.696 -5.808 333 2HB ARG 43 HB1 ARG 43 129.677 13.882 -4.602 334 1HG ARG 43 HG2 ARG 43 132.102 13.222 -5.488 335 2HG ARG 43 HG1 ARG 43 131.192 12.796 -6.938 336 1HD ARG 43 HD2 ARG 43 131.193 15.483 -5.536 337 2HD ARG 43 HD1 ARG 43 131.899 15.120 -7.111 338 HE ARG 43 HE ARG 43 129.212 14.387 -7.331 339 1HH1 ARG 43 HH21 ARG 43 130.989 17.299 -6.560 340 2HH1 ARG 43 HH22 ARG 43 129.760 18.336 -7.195 341 1HH2 ARG 43 HH11 ARG 43 127.649 15.766 -8.140 342 2HH2 ARG 43 HH12 ARG 43 127.889 17.481 -8.081 343 H ARG 44 HN ARG 44 128.058 11.022 -3.617 344 HA ARG 44 HA ARG 44 127.619 12.633 -1.248 345 1HB ARG 44 HB2 ARG 44 126.166 10.462 -2.688 346 2HB ARG 44 HB1 ARG 44 125.751 10.724 -0.994 347 1HG ARG 44 HG2 ARG 44 125.923 13.038 -2.918 348 2HG ARG 44 HG1 ARG 44 124.448 12.078 -2.783 349 1HD ARG 44 HD2 ARG 44 124.051 12.744 -0.587 350 2HD ARG 44 HD1 ARG 44 125.749 13.115 -0.286 351 HE ARG 44 HE ARG 44 124.998 14.945 -2.229 352 1HH1 ARG 44 HH11 ARG 44 123.801 14.067 0.939 353 2HH1 ARG 44 HH12 ARG 44 123.199 15.655 1.261 354 1HH2 ARG 44 HH21 ARG 44 124.203 16.986 -1.768 355 2HH2 ARG 44 HH22 ARG 44 123.422 17.291 -0.253 356 H THR 45 HN THR 45 128.907 9.425 -1.869 357 HA THR 45 HA THR 45 128.893 8.745 1.008 358 HB THR 45 HB THR 45 130.057 7.190 -1.320 359 HG1 THR 45 HG1 THR 45 127.507 7.117 -0.088 360 1HG2 THR 45 HG21 THR 45 129.467 6.579 1.572 361 2HG2 THR 45 HG23 THR 45 129.563 5.293 0.368 362 3HG2 THR 45 HG22 THR 45 130.964 6.320 0.675 363 H TYR 46 HN TYR 46 131.123 9.763 -1.520 364 HA TYR 46 HA TYR 46 133.566 9.226 -0.113 365 1HB TYR 46 HB2 TYR 46 133.364 9.778 -2.570 366 2HB TYR 46 HB1 TYR 46 133.068 11.454 -2.107 367 HD1 TYR 46 HD2 TYR 46 135.468 8.713 -1.176 368 HD2 TYR 46 HD1 TYR 46 134.920 12.854 -2.176 369 HE1 TYR 46 HE2 TYR 46 137.911 9.088 -0.966 370 HE2 TYR 46 HE1 TYR 46 137.363 13.229 -1.967 371 HH TYR 46 HH TYR 46 139.380 11.367 -0.405 372 H GLU 47 HN GLU 47 131.376 12.013 -0.159 373 HA GLU 47 HA GLU 47 133.097 13.644 1.537 374 1HB GLU 47 HB2 GLU 47 130.192 13.903 0.714 375 2HB GLU 47 HB1 GLU 47 131.038 15.097 1.699 376 1HG GLU 47 HG2 GLU 47 132.293 14.217 -0.875 377 2HG GLU 47 HG1 GLU 47 130.945 15.354 -0.938 378 H SER 48 HN SER 48 130.611 11.245 2.059 379 HA SER 48 HA SER 48 129.814 11.979 4.702 380 1HB SER 48 HB2 SER 48 129.993 9.218 3.461 381 2HB SER 48 HB1 SER 48 129.092 9.628 4.918 382 HG SER 48 HG SER 48 127.637 9.768 3.293 383 H PHE 49 HN PHE 49 132.649 10.311 3.473 384 HA PHE 49 HA PHE 49 133.536 9.120 5.912 385 1HB PHE 49 HB2 PHE 49 135.149 10.178 3.570 386 2HB PHE 49 HB1 PHE 49 135.785 9.137 4.845 387 HD1 PHE 49 HD2 PHE 49 134.066 7.037 5.334 388 HD2 PHE 49 HD1 PHE 49 134.613 9.080 1.595 389 HE1 PHE 49 HE2 PHE 49 133.231 5.042 4.122 390 HE2 PHE 49 HE1 PHE 49 133.778 7.084 0.383 391 HZ PHE 49 HZ PHE 49 133.086 5.066 1.646 392 HA PRO 50 HA PRO 50 134.936 12.680 8.202 393 1HB PRO 50 HB2 PRO 50 136.778 11.342 9.822 394 2HB PRO 50 HB1 PRO 50 135.046 11.501 10.141 395 1HG PRO 50 HG2 PRO 50 136.527 9.140 9.435 396 2HG PRO 50 HG1 PRO 50 134.816 9.286 9.859 397 1HD PRO 50 HD2 PRO 50 136.014 8.945 7.235 398 2HD PRO 50 HD1 PRO 50 134.308 8.870 7.699 399 H LYS 51 HN LYS 51 137.676 10.445 7.599 400 HA LYS 51 HA LYS 51 139.313 12.820 6.818 401 1HB LYS 51 HB2 LYS 51 140.045 11.290 8.756 402 2HB LYS 51 HB1 LYS 51 140.375 10.078 7.518 403 1HG LYS 51 HG2 LYS 51 142.237 11.155 6.784 404 2HG LYS 51 HG1 LYS 51 141.479 12.744 6.904 405 1HD LYS 51 HD2 LYS 51 143.258 12.693 8.521 406 2HD LYS 51 HD1 LYS 51 141.745 12.566 9.419 407 1HE LYS 51 HE2 LYS 51 142.063 10.017 9.258 408 2HE LYS 51 HE1 LYS 51 143.719 10.376 8.770 409 1HZ LYS 51 HZ2 LYS 51 143.730 11.854 10.849 410 2HZ LYS 51 HZ1 LYS 51 142.381 10.942 11.335 411 3HZ LYS 51 HZ3 LYS 51 143.866 10.173 11.054 412 H ARG 52 HN ARG 52 138.913 12.972 4.614 413 HA ARG 52 HA ARG 52 139.077 10.516 2.965 414 1HB ARG 52 HB2 ARG 52 138.453 13.362 2.121 415 2HB ARG 52 HB1 ARG 52 138.243 11.911 1.143 416 1HG ARG 52 HG2 ARG 52 136.370 11.227 2.306 417 2HG ARG 52 HG1 ARG 52 136.895 11.985 3.809 418 1HD ARG 52 HD2 ARG 52 136.576 14.158 2.128 419 2HD ARG 52 HD1 ARG 52 135.264 13.090 1.631 420 HE ARG 52 HE ARG 52 135.207 13.133 4.440 421 1HH1 ARG 52 HH11 ARG 52 134.872 15.420 1.815 422 2HH1 ARG 52 HH12 ARG 52 133.822 16.456 2.717 423 1HH2 ARG 52 HH21 ARG 52 133.847 14.503 5.572 424 2HH2 ARG 52 HH22 ARG 52 133.247 15.944 4.821 425 HA PRO 53 HA PRO 53 139.592 9.762 1.082 426 1HB PRO 53 HB2 PRO 53 141.684 8.212 0.076 427 2HB PRO 53 HB1 PRO 53 140.751 9.400 -0.845 428 1HG PRO 53 HG2 PRO 53 143.506 9.530 -0.068 429 2HG PRO 53 HG1 PRO 53 142.577 10.695 -1.021 430 1HD PRO 53 HD2 PRO 53 143.353 10.822 1.801 431 2HD PRO 53 HD1 PRO 53 142.751 12.111 0.745 432 H LEU 54 HN LEU 54 139.947 7.201 1.346 433 HA LEU 54 HA LEU 54 140.667 6.807 4.187 434 1HB LEU 54 HB2 LEU 54 139.243 5.054 2.171 435 2HB LEU 54 HB1 LEU 54 139.607 4.543 3.819 436 HG LEU 54 HG LEU 54 137.995 7.011 3.100 437 1HD1 LEU 54 HD12 LEU 54 137.233 4.181 3.785 438 2HD1 LEU 54 HD11 LEU 54 136.168 5.514 4.233 439 3HD1 LEU 54 HD13 LEU 54 136.570 5.237 2.537 440 1HD2 LEU 54 HD23 LEU 54 138.885 5.715 5.668 441 2HD2 LEU 54 HD22 LEU 54 138.893 7.422 5.226 442 3HD2 LEU 54 HD21 LEU 54 137.373 6.622 5.624 443 HA PRO 55 HA PRO 55 144.556 5.005 2.699 444 1HB PRO 55 HB2 PRO 55 145.617 4.761 5.280 445 2HB PRO 55 HB1 PRO 55 145.824 6.144 4.197 446 1HG PRO 55 HG2 PRO 55 144.344 6.014 6.645 447 2HG PRO 55 HG1 PRO 55 144.591 7.406 5.583 448 1HD PRO 55 HD2 PRO 55 142.233 5.715 5.867 449 2HD PRO 55 HD1 PRO 55 142.399 7.271 5.040 450 H GLU 56 HN GLU 56 145.894 3.014 3.551 451 HA GLU 56 HA GLU 56 145.937 0.706 3.924 452 1HB GLU 56 HB2 GLU 56 143.877 1.647 5.909 453 2HB GLU 56 HB1 GLU 56 144.211 -0.073 5.716 454 1HG GLU 56 HG2 GLU 56 146.402 0.126 6.478 455 2HG GLU 56 HG1 GLU 56 146.504 1.833 6.047 456 H ARG 57 HN ARG 57 144.172 1.869 1.808 457 HA ARG 57 HA ARG 57 142.940 -0.543 0.915 458 1HB ARG 57 HB2 ARG 57 140.552 0.099 1.112 459 2HB ARG 57 HB1 ARG 57 141.302 -0.105 2.694 460 1HG ARG 57 HG2 ARG 57 141.776 2.461 2.524 461 2HG ARG 57 HG1 ARG 57 140.511 2.440 1.297 462 1HD ARG 57 HD2 ARG 57 139.129 2.720 3.093 463 2HD ARG 57 HD1 ARG 57 139.314 0.974 3.251 464 HE ARG 57 HE ARG 57 141.425 2.379 4.641 465 1HH1 ARG 57 HH21 ARG 57 138.069 1.421 4.858 466 2HH1 ARG 57 HH22 ARG 57 138.073 1.436 6.587 467 1HH2 ARG 57 HH11 ARG 57 141.385 2.385 6.879 468 2HH2 ARG 57 HH12 ARG 57 139.928 1.976 7.721 469 H THR 58 HN THR 58 141.733 -0.186 -1.140 470 HA THR 58 HA THR 58 142.902 2.073 -2.619 471 HB THR 58 HB THR 58 140.947 0.118 -3.798 472 HG1 THR 58 HG1 THR 58 142.244 -1.466 -3.417 473 1HG2 THR 58 HG23 THR 58 143.445 1.528 -4.772 474 2HG2 THR 58 HG22 THR 58 142.532 0.360 -5.726 475 3HG2 THR 58 HG21 THR 58 141.782 1.881 -5.241 476 H ASN 59 HN ASN 59 141.689 3.727 -3.610 477 HA ASN 59 HA ASN 59 138.832 3.919 -2.736 478 1HB ASN 59 HB2 ASN 59 140.994 6.025 -2.867 479 2HB ASN 59 HB1 ASN 59 139.283 6.454 -2.851 480 1HD2 ASN 59 HD22 ASN 59 140.840 4.632 0.503 481 2HD2 ASN 59 HD21 ASN 59 141.525 4.288 -1.013 482 H VAL 60 HN VAL 60 137.374 4.312 -4.351 483 HA VAL 60 HA VAL 60 138.392 5.285 -6.980 484 HB VAL 60 HB VAL 60 136.455 2.975 -6.645 485 1HG1 VAL 60 HG13 VAL 60 137.698 4.397 -8.997 486 2HG1 VAL 60 HG12 VAL 60 137.128 2.734 -9.139 487 3HG1 VAL 60 HG11 VAL 60 135.999 4.020 -8.713 488 1HG2 VAL 60 HG21 VAL 60 138.803 2.436 -5.939 489 2HG2 VAL 60 HG23 VAL 60 138.285 1.537 -7.366 490 3HG2 VAL 60 HG22 VAL 60 139.355 2.929 -7.540 491 H VAL 61 HN VAL 61 137.378 7.273 -6.905 492 HA VAL 61 HA VAL 61 134.580 7.484 -6.003 493 HB VAL 61 HB VAL 61 136.379 9.618 -7.191 494 1HG1 VAL 61 HG12 VAL 61 133.915 10.070 -7.167 495 2HG1 VAL 61 HG11 VAL 61 133.927 9.832 -5.419 496 3HG1 VAL 61 HG13 VAL 61 134.830 11.169 -6.134 497 1HG2 VAL 61 HG21 VAL 61 135.877 8.865 -4.293 498 2HG2 VAL 61 HG23 VAL 61 137.385 8.612 -5.172 499 3HG2 VAL 61 HG22 VAL 61 136.822 10.249 -4.841 500 H LEU 62 HN LEU 62 132.839 7.594 -7.362 501 HA LEU 62 HA LEU 62 133.392 7.760 -10.300 502 1HB LEU 62 HB2 LEU 62 132.647 5.491 -9.508 503 2HB LEU 62 HB1 LEU 62 131.140 6.231 -8.965 504 HG LEU 62 HG LEU 62 130.993 7.156 -11.398 505 1HD1 LEU 62 HD11 LEU 62 133.214 5.162 -11.533 506 2HD1 LEU 62 HD13 LEU 62 132.067 5.203 -12.872 507 3HD1 LEU 62 HD12 LEU 62 132.984 6.649 -12.451 508 1HD2 LEU 62 HD23 LEU 62 130.614 4.235 -10.676 509 2HD2 LEU 62 HD22 LEU 62 129.415 5.523 -10.563 510 3HD2 LEU 62 HD21 LEU 62 129.967 4.968 -12.144 511 H THR 63 HN THR 63 132.840 9.880 -10.716 512 HA THR 63 HA THR 63 130.117 10.758 -9.833 513 HB THR 63 HB THR 63 131.804 12.106 -8.713 514 HG1 THR 63 HG1 THR 63 130.002 13.213 -9.549 515 1HG2 THR 63 HG23 THR 63 132.925 12.460 -11.503 516 2HG2 THR 63 HG22 THR 63 133.420 13.435 -10.119 517 3HG2 THR 63 HG21 THR 63 133.718 11.697 -10.125 518 H HIS 64 HN HIS 64 129.358 12.637 -11.364 519 HA HIS 64 HA HIS 64 129.786 11.695 -14.163 520 1HB HIS 64 HB2 HIS 64 127.444 11.771 -12.989 521 2HB HIS 64 HB1 HIS 64 127.534 13.501 -13.323 522 HD1 HIS 64 HD1 HIS 64 128.317 10.346 -15.345 523 HD2 HIS 64 HD2 HIS 64 126.367 14.007 -15.762 524 HE1 HIS 64 HE1 HIS 64 127.415 10.412 -17.711 525 H GLN 65 HN GLN 65 130.319 14.374 -12.039 526 HA GLN 65 HA GLN 65 130.540 16.326 -14.240 527 1HB GLN 65 HB2 GLN 65 129.650 16.905 -11.929 528 2HB GLN 65 HB1 GLN 65 131.297 16.699 -11.332 529 1HG GLN 65 HG2 GLN 65 131.439 18.933 -11.815 530 2HG GLN 65 HG1 GLN 65 131.784 18.327 -13.436 531 1HE2 GLN 65 HE22 GLN 65 128.292 20.287 -12.716 532 2HE2 GLN 65 HE21 GLN 65 129.395 19.979 -11.462 533 H GLU 66 HN GLU 66 132.520 17.202 -14.942 534 HA GLU 66 HA GLU 66 134.907 15.554 -14.279 535 1HB GLU 66 HB2 GLU 66 134.455 17.548 -16.522 536 2HB GLU 66 HB1 GLU 66 135.878 16.525 -16.326 537 1HG GLU 66 HG2 GLU 66 134.704 14.566 -16.832 538 2HG GLU 66 HG1 GLU 66 133.144 15.279 -16.417 539 H ASP 67 HN ASP 67 133.877 17.657 -12.475 540 HA ASP 67 HA ASP 67 136.284 19.434 -12.497 541 1HB ASP 67 HB2 ASP 67 133.405 20.115 -11.875 542 2HB ASP 67 HB1 ASP 67 134.748 21.132 -11.351 543 H TYR 68 HN TYR 68 135.266 16.837 -10.979 544 HA TYR 68 HA TYR 68 135.442 17.842 -8.198 545 1HB TYR 68 HB2 TYR 68 133.796 16.021 -8.989 546 2HB TYR 68 HB1 TYR 68 135.200 14.953 -9.050 547 HD1 TYR 68 HD2 TYR 68 133.723 17.516 -6.730 548 HD2 TYR 68 HD1 TYR 68 135.637 13.693 -7.147 549 HE1 TYR 68 HE2 TYR 68 133.569 17.171 -4.278 550 HE2 TYR 68 HE1 TYR 68 135.483 13.349 -4.695 551 HH TYR 68 HH TYR 68 133.566 14.677 -2.770 552 H GLN 69 HN GLN 69 137.437 18.048 -7.324 553 HA GLN 69 HA GLN 69 139.676 16.446 -8.448 554 1HB GLN 69 HB2 GLN 69 139.626 18.860 -6.615 555 2HB GLN 69 HB1 GLN 69 141.101 18.023 -7.104 556 1HG GLN 69 HG2 GLN 69 140.454 18.428 -9.500 557 2HG GLN 69 HG1 GLN 69 139.117 19.421 -8.918 558 1HE2 GLN 69 HE22 GLN 69 142.832 20.989 -9.058 559 2HE2 GLN 69 HE21 GLN 69 142.479 19.449 -9.677 560 H ALA 70 HN ALA 70 140.647 14.849 -7.267 561 HA ALA 70 HA ALA 70 140.142 14.689 -4.346 562 1HB ALA 70 HB2 ALA 70 138.372 13.335 -5.458 563 2HB ALA 70 HB1 ALA 70 139.628 12.384 -6.250 564 3HB ALA 70 HB3 ALA 70 139.464 12.341 -4.495 565 H GLN 71 HN GLN 71 142.208 14.696 -3.598 566 HA GLN 71 HA GLN 71 144.355 13.382 -5.141 567 1HB GLN 71 HB2 GLN 71 144.418 14.938 -2.536 568 2HB GLN 71 HB1 GLN 71 145.840 14.339 -3.392 569 1HG GLN 71 HG2 GLN 71 145.736 16.489 -4.246 570 2HG GLN 71 HG1 GLN 71 144.742 15.639 -5.431 571 1HE2 GLN 71 HE22 GLN 71 142.715 17.786 -2.554 572 2HE2 GLN 71 HE21 GLN 71 144.130 16.957 -2.115 573 H GLY 72 HN GLY 72 144.835 11.280 -4.783 574 1HA GLY 72 HA2 GLY 72 145.620 9.582 -3.157 575 2HA GLY 72 HA1 GLY 72 144.382 10.168 -2.044 576 H ALA 73 HN ALA 73 142.200 10.345 -3.803 577 HA ALA 73 HA ALA 73 141.695 7.451 -4.306 578 1HB ALA 73 HB1 ALA 73 140.153 8.692 -2.769 579 2HB ALA 73 HB3 ALA 73 139.705 9.733 -4.120 580 3HB ALA 73 HB2 ALA 73 139.329 8.011 -4.172 581 H VAL 74 HN VAL 74 141.159 6.731 -6.351 582 HA VAL 74 HA VAL 74 141.835 8.394 -8.615 583 HB VAL 74 HB VAL 74 140.338 5.756 -8.607 584 1HG1 VAL 74 HG12 VAL 74 141.939 7.263 -10.690 585 2HG1 VAL 74 HG11 VAL 74 141.479 5.569 -10.862 586 3HG1 VAL 74 HG13 VAL 74 140.235 6.816 -10.767 587 1HG2 VAL 74 HG22 VAL 74 143.259 6.453 -8.355 588 2HG2 VAL 74 HG21 VAL 74 142.323 5.262 -7.450 589 3HG2 VAL 74 HG23 VAL 74 142.771 4.944 -9.126 590 H VAL 75 HN VAL 75 140.410 9.184 -10.254 591 HA VAL 75 HA VAL 75 137.528 9.318 -9.465 592 HB VAL 75 HB VAL 75 139.134 11.569 -10.713 593 1HG1 VAL 75 HG11 VAL 75 136.619 11.378 -11.147 594 2HG1 VAL 75 HG13 VAL 75 136.401 11.656 -9.418 595 3HG1 VAL 75 HG12 VAL 75 137.166 12.888 -10.422 596 1HG2 VAL 75 HG22 VAL 75 138.292 11.025 -7.856 597 2HG2 VAL 75 HG21 VAL 75 139.921 11.322 -8.461 598 3HG2 VAL 75 HG23 VAL 75 138.741 12.632 -8.424 599 H VAL 76 HN VAL 76 136.711 7.901 -10.985 600 HA VAL 76 HA VAL 76 137.533 8.273 -13.827 601 HB VAL 76 HB VAL 76 136.382 6.075 -14.176 602 1HG1 VAL 76 HG13 VAL 76 138.560 6.265 -12.079 603 2HG1 VAL 76 HG12 VAL 76 138.070 4.744 -12.827 604 3HG1 VAL 76 HG11 VAL 76 138.760 6.031 -13.816 605 1HG2 VAL 76 HG23 VAL 76 135.055 6.620 -11.883 606 2HG2 VAL 76 HG22 VAL 76 135.272 4.979 -12.489 607 3HG2 VAL 76 HG21 VAL 76 136.344 5.605 -11.237 608 H HIS 77 HN HIS 77 135.491 7.639 -15.318 609 HA HIS 77 HA HIS 77 132.986 8.828 -14.301 610 1HB HIS 77 HB2 HIS 77 134.407 9.963 -16.728 611 2HB HIS 77 HB1 HIS 77 132.859 10.499 -16.076 612 HD1 HIS 77 HD1 HIS 77 132.890 11.906 -13.905 613 HD2 HIS 77 HD2 HIS 77 136.686 10.769 -15.200 614 HE1 HIS 77 HE1 HIS 77 134.546 13.258 -12.546 615 H ASP 78 HN ASP 78 133.661 6.169 -15.126 616 HA ASP 78 HA ASP 78 131.640 5.818 -17.237 617 1HB ASP 78 HB2 ASP 78 133.981 6.124 -18.317 618 2HB ASP 78 HB1 ASP 78 134.333 4.525 -17.660 619 H VAL 79 HN VAL 79 130.429 4.078 -16.673 620 HA VAL 79 HA VAL 79 131.010 2.478 -14.377 621 HB VAL 79 HB VAL 79 129.143 1.792 -16.667 622 1HG1 VAL 79 HG12 VAL 79 129.621 -0.014 -15.006 623 2HG1 VAL 79 HG11 VAL 79 129.060 1.060 -13.724 624 3HG1 VAL 79 HG13 VAL 79 127.939 0.516 -14.972 625 1HG2 VAL 79 HG21 VAL 79 128.930 3.707 -14.361 626 2HG2 VAL 79 HG23 VAL 79 128.392 3.910 -16.028 627 3HG2 VAL 79 HG22 VAL 79 127.484 2.872 -14.929 628 H ALA 80 HN ALA 80 131.513 1.925 -17.843 629 HA ALA 80 HA ALA 80 132.328 -0.823 -17.617 630 1HB ALA 80 HB3 ALA 80 132.730 1.331 -19.684 631 2HB ALA 80 HB2 ALA 80 133.544 -0.225 -19.846 632 3HB ALA 80 HB1 ALA 80 131.782 -0.150 -19.803 633 H ALA 81 HN ALA 81 134.028 2.247 -17.284 634 HA ALA 81 HA ALA 81 136.698 1.168 -17.325 635 1HB ALA 81 HB2 ALA 81 135.641 3.671 -15.970 636 2HB ALA 81 HB1 ALA 81 137.340 3.311 -16.278 637 3HB ALA 81 HB3 ALA 81 136.236 3.576 -17.628 638 H VAL 82 HN VAL 82 134.321 1.709 -14.752 639 HA VAL 82 HA VAL 82 136.033 1.124 -12.537 640 HB VAL 82 HB VAL 82 133.058 0.572 -12.757 641 1HG1 VAL 82 HG13 VAL 82 134.984 0.955 -10.459 642 2HG1 VAL 82 HG12 VAL 82 133.242 1.143 -10.263 643 3HG1 VAL 82 HG11 VAL 82 133.911 -0.411 -10.760 644 1HG2 VAL 82 HG23 VAL 82 134.640 3.094 -12.308 645 2HG2 VAL 82 HG22 VAL 82 133.226 2.842 -13.330 646 3HG2 VAL 82 HG21 VAL 82 133.045 2.909 -11.578 647 H PHE 83 HN PHE 83 134.240 -0.932 -14.768 648 HA PHE 83 HA PHE 83 134.669 -3.373 -13.234 649 1HB PHE 83 HB2 PHE 83 133.590 -2.697 -15.948 650 2HB PHE 83 HB1 PHE 83 134.064 -4.362 -15.614 651 HD1 PHE 83 HD1 PHE 83 133.303 -5.097 -13.067 652 HD2 PHE 83 HD2 PHE 83 131.336 -2.245 -15.607 653 HE1 PHE 83 HE1 PHE 83 131.185 -5.454 -11.827 654 HE2 PHE 83 HE2 PHE 83 129.218 -2.602 -14.367 655 HZ PHE 83 HZ PHE 83 129.142 -4.206 -12.477 656 H ALA 84 HN ALA 84 136.307 -1.692 -15.871 657 HA ALA 84 HA ALA 84 138.129 -3.843 -16.513 658 1HB ALA 84 HB1 ALA 84 138.306 -0.851 -16.971 659 2HB ALA 84 HB3 ALA 84 139.447 -2.021 -17.633 660 3HB ALA 84 HB2 ALA 84 137.754 -2.064 -18.126 661 H TYR 85 HN TYR 85 138.193 -1.137 -14.241 662 HA TYR 85 HA TYR 85 140.953 -1.335 -13.500 663 1HB TYR 85 HB2 TYR 85 139.334 0.554 -12.933 664 2HB TYR 85 HB1 TYR 85 138.691 -0.496 -11.671 665 HD1 TYR 85 HD1 TYR 85 141.863 1.031 -12.926 666 HD2 TYR 85 HD2 TYR 85 139.773 -0.673 -9.582 667 HE1 TYR 85 HE1 TYR 85 143.726 1.687 -11.427 668 HE2 TYR 85 HE2 TYR 85 141.637 -0.018 -8.083 669 HH TYR 85 HH TYR 85 143.646 2.115 -8.474 670 H ALA 86 HN ALA 86 138.045 -3.017 -12.394 671 HA ALA 86 HA ALA 86 139.303 -4.340 -10.155 672 1HB ALA 86 HB2 ALA 86 136.824 -5.002 -11.770 673 2HB ALA 86 HB1 ALA 86 137.313 -5.884 -10.323 674 3HB ALA 86 HB3 ALA 86 136.890 -4.175 -10.213 675 H LYS 87 HN LYS 87 138.985 -5.063 -13.586 676 HA LYS 87 HA LYS 87 139.813 -7.815 -13.447 677 1HB LYS 87 HB2 LYS 87 138.756 -6.421 -15.423 678 2HB LYS 87 HB1 LYS 87 140.443 -6.089 -15.820 679 1HG LYS 87 HG2 LYS 87 140.884 -8.269 -16.392 680 2HG LYS 87 HG1 LYS 87 139.742 -8.918 -15.214 681 1HD LYS 87 HD2 LYS 87 138.750 -7.377 -17.603 682 2HD LYS 87 HD1 LYS 87 139.143 -9.090 -17.746 683 1HE LYS 87 HE2 LYS 87 137.374 -8.130 -15.511 684 2HE LYS 87 HE1 LYS 87 136.700 -8.414 -17.115 685 1HZ LYS 87 HZ2 LYS 87 137.592 -10.661 -17.048 686 2HZ LYS 87 HZ1 LYS 87 138.219 -10.385 -15.494 687 3HZ LYS 87 HZ3 LYS 87 136.540 -10.388 -15.742 688 H GLN 88 HN GLN 88 141.571 -4.756 -13.738 689 HA GLN 88 HA GLN 88 144.150 -5.843 -14.304 690 1HB GLN 88 HB2 GLN 88 143.112 -3.274 -13.185 691 2HB GLN 88 HB1 GLN 88 144.824 -3.633 -12.954 692 1HG GLN 88 HG2 GLN 88 144.816 -2.517 -15.018 693 2HG GLN 88 HG1 GLN 88 144.794 -4.213 -15.500 694 1HE2 GLN 88 HE22 GLN 88 141.607 -1.839 -16.348 695 2HE2 GLN 88 HE21 GLN 88 142.953 -1.235 -15.508 696 H HIS 89 HN HIS 89 142.328 -5.516 -11.322 697 HA HIS 89 HA HIS 89 144.631 -6.719 -9.835 698 1HB HIS 89 HB2 HIS 89 142.348 -4.996 -8.821 699 2HB HIS 89 HB1 HIS 89 143.568 -5.752 -7.794 700 HD1 HIS 89 HD1 HIS 89 143.197 -2.607 -8.159 701 HD2 HIS 89 HD2 HIS 89 146.055 -4.957 -10.079 702 HE1 HIS 89 HE1 HIS 89 145.078 -1.047 -8.824 703 HA PRO 90 HA PRO 90 141.467 -10.058 -9.897 704 1HB PRO 90 HB2 PRO 90 143.469 -12.040 -9.786 705 2HB PRO 90 HB1 PRO 90 142.600 -11.499 -11.228 706 1HG PRO 90 HG2 PRO 90 145.352 -11.106 -10.588 707 2HG PRO 90 HG1 PRO 90 144.472 -10.550 -12.017 708 1HD PRO 90 HD2 PRO 90 145.325 -9.026 -9.680 709 2HD PRO 90 HD1 PRO 90 144.728 -8.441 -11.241 710 H ASP 91 HN ASP 91 144.260 -9.518 -7.833 711 HA ASP 91 HA ASP 91 143.491 -11.417 -5.779 712 1HB ASP 91 HB2 ASP 91 145.820 -10.443 -6.142 713 2HB ASP 91 HB1 ASP 91 145.214 -8.955 -5.412 714 H GLN 92 HN GLN 92 142.737 -8.061 -6.490 715 HA GLN 92 HA GLN 92 141.314 -7.766 -3.899 716 1HB GLN 92 HB2 GLN 92 141.972 -5.821 -6.125 717 2HB GLN 92 HB1 GLN 92 140.953 -5.399 -4.747 718 1HG GLN 92 HG2 GLN 92 142.715 -5.616 -3.213 719 2HG GLN 92 HG1 GLN 92 143.669 -6.619 -4.307 720 1HE2 GLN 92 HE22 GLN 92 144.314 -2.685 -4.308 721 2HE2 GLN 92 HE21 GLN 92 143.498 -3.513 -3.071 722 H GLU 93 HN GLU 93 139.057 -6.969 -3.950 723 HA GLU 93 HA GLU 93 137.586 -7.967 -6.359 724 1HB GLU 93 HB2 GLU 93 137.011 -8.202 -3.416 725 2HB GLU 93 HB1 GLU 93 135.682 -8.227 -4.576 726 1HG GLU 93 HG2 GLU 93 136.746 -10.096 -5.773 727 2HG GLU 93 HG1 GLU 93 138.093 -10.065 -4.636 728 H LEU 94 HN LEU 94 135.234 -6.938 -6.304 729 HA LEU 94 HA LEU 94 135.634 -3.995 -6.011 730 1HB LEU 94 HB2 LEU 94 135.004 -5.047 -8.268 731 2HB LEU 94 HB1 LEU 94 133.422 -5.362 -7.553 732 HG LEU 94 HG LEU 94 133.420 -2.859 -6.916 733 1HD1 LEU 94 HD12 LEU 94 135.640 -2.951 -8.979 734 2HD1 LEU 94 HD11 LEU 94 134.800 -1.475 -8.505 735 3HD1 LEU 94 HD13 LEU 94 135.756 -2.364 -7.320 736 1HD2 LEU 94 HD22 LEU 94 132.247 -4.133 -8.909 737 2HD2 LEU 94 HD21 LEU 94 132.259 -2.370 -8.880 738 3HD2 LEU 94 HD23 LEU 94 133.405 -3.243 -9.896 739 H VAL 95 HN VAL 95 134.666 -3.087 -4.275 740 HA VAL 95 HA VAL 95 132.228 -4.418 -3.159 741 HB VAL 95 HB VAL 95 134.190 -2.617 -1.708 742 1HG1 VAL 95 HG13 VAL 95 131.711 -2.893 -0.959 743 2HG1 VAL 95 HG12 VAL 95 132.197 -4.523 -0.490 744 3HG1 VAL 95 HG11 VAL 95 132.979 -3.124 0.246 745 1HG2 VAL 95 HG22 VAL 95 133.910 -5.641 -1.681 746 2HG2 VAL 95 HG21 VAL 95 135.252 -4.740 -2.388 747 3HG2 VAL 95 HG23 VAL 95 134.987 -4.704 -0.644 748 H ILE 96 HN ILE 96 130.391 -3.265 -3.440 749 HA ILE 96 HA ILE 96 130.590 -0.400 -4.182 750 HB ILE 96 HB ILE 96 128.127 -2.163 -4.106 751 1HG1 ILE 96 HG12 ILE 96 129.826 -3.140 -5.610 752 2HG1 ILE 96 HG11 ILE 96 128.482 -2.474 -6.534 753 1HG2 ILE 96 HG21 ILE 96 127.898 0.372 -4.150 754 2HG2 ILE 96 HG23 ILE 96 128.671 0.327 -5.736 755 3HG2 ILE 96 HG22 ILE 96 127.124 -0.485 -5.485 756 1HD1 ILE 96 HD12 ILE 96 131.105 -1.036 -6.015 757 2HD1 ILE 96 HD11 ILE 96 130.691 -1.868 -7.514 758 3HD1 ILE 96 HD13 ILE 96 129.774 -0.447 -7.012 759 H ALA 97 HN ALA 97 130.376 1.093 -2.601 760 HA ALA 97 HA ALA 97 128.926 0.330 -0.107 761 1HB ALA 97 HB1 ALA 97 131.129 2.284 -0.715 762 2HB ALA 97 HB3 ALA 97 130.108 2.525 0.703 763 3HB ALA 97 HB2 ALA 97 131.057 1.047 0.539 764 H GLY 98 HN GLY 98 128.942 2.583 -2.791 765 1HA GLY 98 HA2 GLY 98 126.368 3.330 -2.949 766 2HA GLY 98 HA1 GLY 98 126.862 4.273 -1.542 767 H GLY 99 HN GLY 99 127.500 6.670 -4.206 768 1HA GLY 99 HA2 GLY 99 125.769 5.894 -1.981 769 2HA GLY 99 HA1 GLY 99 125.533 7.279 -3.049 770 H ALA 100 HN ALA 100 123.302 6.782 -3.360 771 HA ALA 100 HA ALA 100 122.351 4.214 -4.235 772 1HB ALA 100 HB2 ALA 100 121.148 6.974 -4.610 773 2HB ALA 100 HB1 ALA 100 120.296 5.452 -4.871 774 3HB ALA 100 HB3 ALA 100 120.845 5.889 -3.253 775 H GLN 101 HN GLN 101 123.563 7.060 -5.934 776 HA GLN 101 HA GLN 101 122.746 6.314 -8.572 777 1HB GLN 101 HB2 GLN 101 124.752 8.168 -7.389 778 2HB GLN 101 HB1 GLN 101 125.013 7.691 -9.067 779 1HG GLN 101 HG2 GLN 101 122.253 8.508 -8.259 780 2HG GLN 101 HG1 GLN 101 123.467 9.772 -8.454 781 1HE2 GLN 101 HE22 GLN 101 123.782 9.280 -11.994 782 2HE2 GLN 101 HE21 GLN 101 124.608 9.838 -10.620 783 H ILE 102 HN ILE 102 125.549 5.438 -6.606 784 HA ILE 102 HA ILE 102 126.923 4.052 -8.765 785 HB ILE 102 HB ILE 102 127.283 3.738 -5.770 786 1HG1 ILE 102 HG12 ILE 102 127.495 6.103 -6.454 787 2HG1 ILE 102 HG11 ILE 102 129.063 5.437 -6.003 788 1HG2 ILE 102 HG21 ILE 102 128.331 1.971 -7.136 789 2HG2 ILE 102 HG23 ILE 102 129.144 3.200 -8.104 790 3HG2 ILE 102 HG22 ILE 102 129.553 3.007 -6.400 791 1HD1 ILE 102 HD11 ILE 102 129.486 4.985 -8.451 792 2HD1 ILE 102 HD13 ILE 102 128.005 5.872 -8.811 793 3HD1 ILE 102 HD12 ILE 102 129.364 6.696 -8.045 794 H PHE 103 HN PHE 103 124.691 3.141 -6.174 795 HA PHE 103 HA PHE 103 124.927 0.295 -6.519 796 1HB PHE 103 HB2 PHE 103 122.778 2.074 -5.357 797 2HB PHE 103 HB1 PHE 103 122.588 0.323 -5.437 798 HD1 PHE 103 HD2 PHE 103 125.200 -0.756 -4.839 799 HD2 PHE 103 HD1 PHE 103 123.257 2.688 -3.157 800 HE1 PHE 103 HE2 PHE 103 126.553 -0.999 -2.776 801 HE2 PHE 103 HE1 PHE 103 124.611 2.443 -1.095 802 HZ PHE 103 HZ PHE 103 126.259 0.600 -0.905 803 H THR 104 HN THR 104 122.759 2.738 -7.928 804 HA THR 104 HA THR 104 121.082 0.939 -9.379 805 HB THR 104 HB THR 104 121.878 3.729 -10.253 806 HG1 THR 104 HG1 THR 104 120.672 4.484 -8.699 807 1HG2 THR 104 HG21 THR 104 119.604 1.848 -10.819 808 2HG2 THR 104 HG23 THR 104 119.347 3.589 -10.921 809 3HG2 THR 104 HG22 THR 104 120.554 2.815 -11.947 810 H ALA 105 HN ALA 105 124.234 2.348 -10.115 811 HA ALA 105 HA ALA 105 124.318 1.558 -12.881 812 1HB ALA 105 HB2 ALA 105 126.469 2.202 -10.852 813 2HB ALA 105 HB1 ALA 105 126.843 1.776 -12.523 814 3HB ALA 105 HB3 ALA 105 125.885 3.216 -12.173 815 H PHE 106 HN PHE 106 125.415 -0.004 -9.875 816 HA PHE 106 HA PHE 106 126.102 -2.446 -11.434 817 1HB PHE 106 HB2 PHE 106 126.612 -1.813 -8.510 818 2HB PHE 106 HB1 PHE 106 127.244 -3.195 -9.405 819 HD1 PHE 106 HD2 PHE 106 128.427 -2.479 -11.736 820 HD2 PHE 106 HD1 PHE 106 128.044 0.000 -8.249 821 HE1 PHE 106 HE2 PHE 106 130.348 -1.109 -12.499 822 HE2 PHE 106 HE1 PHE 106 129.965 1.369 -9.012 823 HZ PHE 106 HZ PHE 106 131.118 0.814 -11.136 824 H LYS 107 HN LYS 107 123.349 -1.797 -11.167 825 HA LYS 107 HA LYS 107 122.255 -3.432 -8.979 826 1HB LYS 107 HB2 LYS 107 121.162 -1.315 -9.880 827 2HB LYS 107 HB1 LYS 107 120.754 -2.242 -11.325 828 1HG LYS 107 HG2 LYS 107 119.594 -3.913 -9.870 829 2HG LYS 107 HG1 LYS 107 119.906 -2.869 -8.483 830 1HD LYS 107 HD2 LYS 107 118.754 -1.014 -9.879 831 2HD LYS 107 HD1 LYS 107 118.142 -2.339 -10.870 832 1HE LYS 107 HE2 LYS 107 117.856 -2.471 -7.883 833 2HE LYS 107 HE1 LYS 107 116.725 -1.497 -8.824 834 1HZ LYS 107 HZ1 LYS 107 117.331 -4.341 -9.409 835 2HZ LYS 107 HZ3 LYS 107 116.018 -3.836 -8.462 836 3HZ LYS 107 HZ2 LYS 107 116.107 -3.386 -10.098 837 H ASP 108 HN ASP 108 122.943 -3.740 -12.407 838 HA ASP 108 HA ASP 108 121.581 -6.385 -12.476 839 1HB ASP 108 HB2 ASP 108 122.571 -4.469 -14.572 840 2HB ASP 108 HB1 ASP 108 122.341 -6.170 -14.980 841 H ASP 109 HN ASP 109 124.103 -5.907 -10.999 842 HA ASP 109 HA ASP 109 125.609 -8.166 -12.081 843 1HB ASP 109 HB2 ASP 109 126.613 -5.347 -12.312 844 2HB ASP 109 HB1 ASP 109 127.765 -6.647 -12.003 845 H VAL 110 HN VAL 110 124.819 -8.785 -9.879 846 HA VAL 110 HA VAL 110 126.922 -8.331 -7.904 847 HB VAL 110 HB VAL 110 125.502 -6.349 -7.528 848 1HG1 VAL 110 HG12 VAL 110 123.406 -7.476 -8.417 849 2HG1 VAL 110 HG11 VAL 110 123.274 -8.281 -6.853 850 3HG1 VAL 110 HG13 VAL 110 123.183 -6.523 -6.949 851 1HG2 VAL 110 HG23 VAL 110 125.368 -8.524 -5.423 852 2HG2 VAL 110 HG22 VAL 110 126.553 -7.225 -5.554 853 3HG2 VAL 110 HG21 VAL 110 124.887 -6.856 -5.110 854 H ASP 111 HN ASP 111 126.984 -10.007 -6.397 855 HA ASP 111 HA ASP 111 124.822 -12.066 -6.620 856 1HB ASP 111 HB2 ASP 111 127.823 -12.360 -6.568 857 2HB ASP 111 HB1 ASP 111 126.781 -13.679 -6.034 858 H THR 112 HN THR 112 127.607 -11.186 -4.536 859 HA THR 112 HA THR 112 126.219 -12.188 -2.157 860 HB THR 112 HB THR 112 128.689 -10.480 -2.047 861 HG1 THR 112 HG1 THR 112 128.549 -13.196 -2.851 862 1HG2 THR 112 HG21 THR 112 127.389 -11.588 -0.066 863 2HG2 THR 112 HG23 THR 112 128.162 -13.072 -0.621 864 3HG2 THR 112 HG22 THR 112 129.149 -11.703 -0.108 865 H LEU 113 HN LEU 113 124.911 -10.984 -0.873 866 HA LEU 113 HA LEU 113 124.975 -8.010 -1.213 867 1HB LEU 113 HB2 LEU 113 122.650 -9.850 -0.578 868 2HB LEU 113 HB1 LEU 113 122.559 -8.089 -0.535 869 HG LEU 113 HG LEU 113 123.399 -9.683 -2.972 870 1HD1 LEU 113 HD11 LEU 113 120.734 -8.440 -2.234 871 2HD1 LEU 113 HD13 LEU 113 121.142 -9.031 -3.844 872 3HD1 LEU 113 HD12 LEU 113 121.063 -10.154 -2.486 873 1HD2 LEU 113 HD23 LEU 113 122.996 -6.777 -2.330 874 2HD2 LEU 113 HD22 LEU 113 124.280 -7.542 -3.267 875 3HD2 LEU 113 HD21 LEU 113 122.673 -7.348 -3.968 876 H LEU 114 HN LEU 114 126.085 -7.256 0.541 877 HA LEU 114 HA LEU 114 125.559 -8.493 3.203 878 1HB LEU 114 HB2 LEU 114 127.750 -6.602 2.288 879 2HB LEU 114 HB1 LEU 114 127.595 -7.256 3.920 880 HG LEU 114 HG LEU 114 127.600 -9.183 1.635 881 1HD1 LEU 114 HD12 LEU 114 130.061 -7.792 2.734 882 2HD1 LEU 114 HD11 LEU 114 130.097 -9.242 1.731 883 3HD1 LEU 114 HD13 LEU 114 129.477 -7.728 1.072 884 1HD2 LEU 114 HD23 LEU 114 127.290 -9.731 4.123 885 2HD2 LEU 114 HD22 LEU 114 128.532 -10.648 3.271 886 3HD2 LEU 114 HD21 LEU 114 128.991 -9.307 4.318 887 H VAL 115 HN VAL 115 124.093 -7.448 4.452 888 HA VAL 115 HA VAL 115 124.033 -4.475 4.393 889 HB VAL 115 HB VAL 115 122.258 -5.252 2.864 890 1HG1 VAL 115 HG11 VAL 115 121.894 -7.474 3.869 891 2HG1 VAL 115 HG13 VAL 115 121.192 -6.713 5.297 892 3HG1 VAL 115 HG12 VAL 115 120.376 -6.583 3.738 893 1HG2 VAL 115 HG21 VAL 115 121.942 -3.245 4.384 894 2HG2 VAL 115 HG23 VAL 115 120.446 -3.991 3.823 895 3HG2 VAL 115 HG22 VAL 115 121.024 -4.298 5.460 896 H THR 116 HN THR 116 123.417 -3.547 6.377 897 HA THR 116 HA THR 116 123.252 -5.472 8.657 898 HB THR 116 HB THR 116 123.973 -2.544 8.865 899 HG1 THR 116 HG1 THR 116 126.124 -3.215 8.703 900 1HG2 THR 116 HG21 THR 116 123.344 -4.124 10.849 901 2HG2 THR 116 HG23 THR 116 124.946 -4.815 10.580 902 3HG2 THR 116 HG22 THR 116 124.779 -3.107 10.990 903 H ARG 117 HN ARG 117 121.118 -5.732 9.159 904 HA ARG 117 HA ARG 117 119.186 -3.557 8.794 905 1HB ARG 117 HB2 ARG 117 118.906 -6.319 10.020 906 2HB ARG 117 HB1 ARG 117 117.567 -5.206 9.736 907 1HG ARG 117 HG2 ARG 117 118.685 -5.186 7.277 908 2HG ARG 117 HG1 ARG 117 119.140 -6.811 7.790 909 1HD ARG 117 HD2 ARG 117 116.934 -7.525 7.963 910 2HD ARG 117 HD1 ARG 117 116.319 -5.893 8.227 911 HE ARG 117 HE ARG 117 116.738 -7.166 5.644 912 1HH1 ARG 117 HH11 ARG 117 116.625 -4.113 7.348 913 2HH1 ARG 117 HH12 ARG 117 116.234 -3.218 5.923 914 1HH2 ARG 117 HH21 ARG 117 116.232 -5.966 3.825 915 2HH2 ARG 117 HH22 ARG 117 116.013 -4.253 3.949 916 H LEU 118 HN LEU 118 118.675 -2.080 10.334 917 HA LEU 118 HA LEU 118 119.779 -2.454 13.065 918 1HB LEU 118 HB2 LEU 118 119.023 -0.133 11.375 919 2HB LEU 118 HB1 LEU 118 118.706 0.039 13.102 920 HG LEU 118 HG LEU 118 121.110 -0.799 13.457 921 1HD1 LEU 118 HD13 LEU 118 121.193 -1.540 10.970 922 2HD1 LEU 118 HD12 LEU 118 121.505 0.161 10.626 923 3HD1 LEU 118 HD11 LEU 118 122.619 -0.752 11.645 924 1HD2 LEU 118 HD22 LEU 118 120.308 1.588 13.672 925 2HD2 LEU 118 HD21 LEU 118 122.004 1.437 13.216 926 3HD2 LEU 118 HD23 LEU 118 120.797 1.841 11.996 927 H ALA 119 HN ALA 119 118.136 -1.141 14.698 928 HA ALA 119 HA ALA 119 115.484 -2.487 14.359 929 1HB ALA 119 HB1 ALA 119 117.150 -1.992 16.835 930 2HB ALA 119 HB3 ALA 119 115.444 -2.429 16.911 931 3HB ALA 119 HB2 ALA 119 116.607 -3.541 16.190 932 H GLY 120 HN GLY 120 117.149 0.345 15.744 933 1HA GLY 120 HA2 GLY 120 114.745 1.778 16.415 934 2HA GLY 120 HA1 GLY 120 116.346 2.497 16.235 935 H SER 121 HN SER 121 113.619 3.349 15.226 936 HA SER 121 HA SER 121 113.921 3.160 12.295 937 1HB SER 121 HB2 SER 121 111.821 4.565 12.312 938 2HB SER 121 HB1 SER 121 111.663 3.014 13.134 939 HG SER 121 HG SER 121 111.475 4.017 14.991 940 H PHE 122 HN PHE 122 114.100 5.091 10.963 941 HA PHE 122 HA PHE 122 114.914 7.596 12.300 942 1HB PHE 122 HB2 PHE 122 116.749 6.106 10.397 943 2HB PHE 122 HB1 PHE 122 117.051 7.707 11.073 944 HD1 PHE 122 HD2 PHE 122 117.439 7.990 13.513 945 HD2 PHE 122 HD1 PHE 122 117.048 4.109 11.714 946 HE1 PHE 122 HE2 PHE 122 118.419 6.953 15.541 947 HE2 PHE 122 HE1 PHE 122 118.027 3.071 13.743 948 HZ PHE 122 HZ PHE 122 118.712 4.493 15.656 949 H GLU 123 HN GLU 123 114.894 9.409 10.826 950 HA GLU 123 HA GLU 123 113.519 8.818 8.232 951 1HB GLU 123 HB2 GLU 123 112.443 11.067 8.503 952 2HB GLU 123 HB1 GLU 123 111.976 9.920 9.759 953 1HG GLU 123 HG2 GLU 123 113.466 10.915 11.350 954 2HG GLU 123 HG1 GLU 123 114.256 11.881 10.103 955 H GLY 124 HN GLY 124 114.082 10.218 6.453 956 1HA GLY 124 HA2 GLY 124 116.029 12.317 6.632 957 2HA GLY 124 HA1 GLY 124 116.829 10.812 6.171 958 H ASP 125 HN ASP 125 117.205 11.008 4.003 959 HA ASP 125 HA ASP 125 114.854 11.294 2.228 960 1HB ASP 125 HB2 ASP 125 115.954 13.588 2.635 961 2HB ASP 125 HB1 ASP 125 117.321 12.960 1.715 962 H THR 126 HN THR 126 118.396 10.866 2.398 963 HA THR 126 HA THR 126 118.532 9.459 -0.138 964 HB THR 126 HB THR 126 120.559 9.359 2.110 965 HG1 THR 126 HG1 THR 126 120.239 11.276 0.043 966 1HG2 THR 126 HG23 THR 126 120.673 9.003 -0.893 967 2HG2 THR 126 HG22 THR 126 122.110 9.207 0.108 968 3HG2 THR 126 HG21 THR 126 121.061 7.810 0.346 969 H LYS 127 HN LYS 127 117.341 7.583 -0.232 970 HA LYS 127 HA LYS 127 117.750 5.590 1.963 971 1HB LYS 127 HB2 LYS 127 115.427 5.979 0.052 972 2HB LYS 127 HB1 LYS 127 115.592 4.586 1.122 973 1HG LYS 127 HG2 LYS 127 115.984 6.597 2.903 974 2HG LYS 127 HG1 LYS 127 114.894 7.397 1.771 975 1HD LYS 127 HD2 LYS 127 114.202 4.619 2.615 976 2HD LYS 127 HD1 LYS 127 113.970 5.910 3.794 977 1HE LYS 127 HE2 LYS 127 112.972 6.317 0.998 978 2HE LYS 127 HE1 LYS 127 112.039 5.297 2.093 979 1HZ LYS 127 HZ3 LYS 127 112.285 7.219 3.724 980 2HZ LYS 127 HZ2 LYS 127 112.736 8.152 2.378 981 3HZ LYS 127 HZ1 LYS 127 111.203 7.423 2.434 982 H MET 128 HN MET 128 117.632 3.273 1.149 983 HA MET 128 HA MET 128 119.431 2.987 -1.153 984 1HB MET 128 HB2 MET 128 119.247 1.599 1.146 985 2HB MET 128 HB1 MET 128 118.204 0.598 0.135 986 1HG MET 128 HG2 MET 128 120.849 1.480 -0.963 987 2HG MET 128 HG1 MET 128 120.814 0.161 0.207 988 1HE MET 128 HE3 MET 128 122.100 -0.315 -2.041 989 2HE MET 128 HE2 MET 128 121.414 -1.477 -3.174 990 3HE MET 128 HE1 MET 128 121.286 0.249 -3.508 991 H ILE 129 HN ILE 129 118.910 1.807 -3.064 992 HA ILE 129 HA ILE 129 116.215 2.169 -4.027 993 HB ILE 129 HB ILE 129 117.042 0.882 -6.015 994 1HG1 ILE 129 HG12 ILE 129 119.714 0.823 -4.609 995 2HG1 ILE 129 HG11 ILE 129 118.593 -0.534 -4.495 996 1HG2 ILE 129 HG22 ILE 129 118.588 3.186 -4.851 997 2HG2 ILE 129 HG21 ILE 129 119.050 2.506 -6.411 998 3HG2 ILE 129 HG23 ILE 129 117.438 3.187 -6.190 999 1HD1 ILE 129 HD11 ILE 129 118.499 -0.528 -7.033 1000 2HD1 ILE 129 HD13 ILE 129 119.839 0.620 -7.002 1001 3HD1 ILE 129 HD12 ILE 129 120.052 -1.003 -6.345 1002 HA PRO 130 HA PRO 130 114.377 -1.748 -2.989 1003 1HB PRO 130 HB2 PRO 130 112.862 -2.161 -5.314 1004 2HB PRO 130 HB1 PRO 130 112.371 -1.210 -3.906 1005 1HG PRO 130 HG2 PRO 130 112.983 -0.275 -6.537 1006 2HG PRO 130 HG1 PRO 130 112.489 0.671 -5.127 1007 1HD PRO 130 HD2 PRO 130 115.153 0.347 -6.288 1008 2HD PRO 130 HD1 PRO 130 114.582 1.542 -5.113 1009 H LEU 131 HN LEU 131 115.935 -3.368 -2.996 1010 HA LEU 131 HA LEU 131 116.937 -4.432 -5.563 1011 1HB LEU 131 HB2 LEU 131 117.549 -5.316 -2.726 1012 2HB LEU 131 HB1 LEU 131 118.429 -5.787 -4.179 1013 HG LEU 131 HG LEU 131 118.112 -2.872 -3.523 1014 1HD1 LEU 131 HD12 LEU 131 120.063 -4.827 -2.284 1015 2HD1 LEU 131 HD11 LEU 131 120.365 -3.090 -2.349 1016 3HD1 LEU 131 HD13 LEU 131 118.978 -3.712 -1.453 1017 1HD2 LEU 131 HD22 LEU 131 120.059 -4.613 -5.043 1018 2HD2 LEU 131 HD21 LEU 131 119.075 -3.285 -5.655 1019 3HD2 LEU 131 HD23 LEU 131 120.453 -2.951 -4.606 1020 H ASN 132 HN ASN 132 116.844 -6.811 -5.942 1021 HA ASN 132 HA ASN 132 114.142 -7.820 -5.385 1022 1HB ASN 132 HB2 ASN 132 115.401 -8.039 -7.615 1023 2HB ASN 132 HB1 ASN 132 116.351 -9.298 -6.824 1024 1HD2 ASN 132 HD22 ASN 132 112.999 -10.487 -8.430 1025 2HD2 ASN 132 HD21 ASN 132 114.016 -9.241 -8.971 1026 H TRP 133 HN TRP 133 113.655 -9.251 -3.794 1027 HA TRP 133 HA TRP 133 115.924 -10.485 -2.294 1028 1HB TRP 133 HB2 TRP 133 113.055 -9.999 -1.434 1029 2HB TRP 133 HB1 TRP 133 114.325 -10.693 -0.426 1030 HD1 TRP 133 HD1 TRP 133 112.919 -7.439 -1.591 1031 HE1 TRP 133 HE1 TRP 133 114.330 -5.487 -0.670 1032 HE3 TRP 133 HE3 TRP 133 116.936 -10.028 0.205 1033 HZ2 TRP 133 HZ2 TRP 133 116.833 -5.080 0.654 1034 HZ3 TRP 133 HZ3 TRP 133 118.817 -8.836 1.290 1035 HH2 TRP 133 HH2 TRP 133 118.772 -6.368 1.517 1036 H ASP 134 HN ASP 134 112.992 -11.174 -4.089 1037 HA ASP 134 HA ASP 134 112.571 -13.870 -3.264 1038 1HB ASP 134 HB2 ASP 134 111.055 -12.400 -4.722 1039 2HB ASP 134 HB1 ASP 134 112.098 -12.853 -6.071 1040 H ASP 135 HN ASP 135 114.926 -12.448 -5.434 1041 HA ASP 135 HA ASP 135 115.767 -15.137 -6.380 1042 1HB ASP 135 HB2 ASP 135 116.437 -12.315 -7.217 1043 2HB ASP 135 HB1 ASP 135 117.412 -13.685 -7.752 1044 H PHE 136 HN PHE 136 116.164 -14.344 -3.590 1045 HA PHE 136 HA PHE 136 119.074 -14.828 -3.451 1046 1HB PHE 136 HB2 PHE 136 117.710 -12.412 -2.237 1047 2HB PHE 136 HB1 PHE 136 119.281 -12.999 -1.689 1048 HD1 PHE 136 HD2 PHE 136 117.428 -11.485 -4.499 1049 HD2 PHE 136 HD1 PHE 136 121.263 -12.807 -3.086 1050 HE1 PHE 136 HE2 PHE 136 118.530 -10.296 -6.376 1051 HE2 PHE 136 HE1 PHE 136 122.365 -11.617 -4.962 1052 HZ PHE 136 HZ PHE 136 120.999 -10.362 -6.607 1053 H THR 137 HN THR 137 119.714 -15.497 -1.233 1054 HA THR 137 HA THR 137 117.424 -16.312 0.491 1055 HB THR 137 HB THR 137 119.721 -18.186 -0.098 1056 HG1 THR 137 HG1 THR 137 118.823 -18.282 -2.003 1057 1HG2 THR 137 HG23 THR 137 118.386 -18.557 1.953 1058 2HG2 THR 137 HG22 THR 137 116.918 -18.610 0.976 1059 3HG2 THR 137 HG21 THR 137 118.150 -19.857 0.783 1060 H LYS 138 HN LYS 138 118.059 -16.699 2.721 1061 HA LYS 138 HA LYS 138 120.470 -15.133 3.472 1062 1HB LYS 138 HB2 LYS 138 118.152 -14.675 4.462 1063 2HB LYS 138 HB1 LYS 138 118.337 -16.199 5.331 1064 1HG LYS 138 HG2 LYS 138 120.197 -15.408 6.558 1065 2HG LYS 138 HG1 LYS 138 120.465 -14.064 5.448 1066 1HD LYS 138 HD2 LYS 138 119.438 -13.121 7.395 1067 2HD LYS 138 HD1 LYS 138 118.182 -13.183 6.158 1068 1HE LYS 138 HE2 LYS 138 117.731 -15.576 7.213 1069 2HE LYS 138 HE1 LYS 138 118.494 -14.848 8.626 1070 1HZ LYS 138 HZ3 LYS 138 116.909 -12.992 8.420 1071 2HZ LYS 138 HZ2 LYS 138 116.130 -13.817 7.156 1072 3HZ LYS 138 HZ1 LYS 138 116.146 -14.476 8.722 1073 H VAL 139 HN VAL 139 122.289 -16.255 3.931 1074 HA VAL 139 HA VAL 139 122.009 -19.071 4.899 1075 HB VAL 139 HB VAL 139 124.354 -19.352 4.054 1076 1HG1 VAL 139 HG11 VAL 139 122.324 -19.910 2.684 1077 2HG1 VAL 139 HG13 VAL 139 122.428 -18.305 1.959 1078 3HG1 VAL 139 HG12 VAL 139 123.728 -19.470 1.711 1079 1HG2 VAL 139 HG21 VAL 139 124.904 -16.893 4.212 1080 2HG2 VAL 139 HG23 VAL 139 125.339 -17.626 2.668 1081 3HG2 VAL 139 HG22 VAL 139 123.888 -16.632 2.795 1082 H SER 140 HN SER 140 123.481 -15.937 5.503 1083 HA SER 140 HA SER 140 124.456 -16.989 8.130 1084 1HB SER 140 HB2 SER 140 125.735 -15.003 6.245 1085 2HB SER 140 HB1 SER 140 126.182 -15.097 7.946 1086 HG SER 140 HG SER 140 127.392 -16.710 7.383 1087 H SER 141 HN SER 141 123.793 -15.838 9.909 1088 HA SER 141 HA SER 141 122.768 -13.087 9.599 1089 1HB SER 141 HB2 SER 141 120.815 -14.585 9.141 1090 2HB SER 141 HB1 SER 141 121.030 -15.298 10.738 1091 HG SER 141 HG SER 141 119.768 -13.704 11.307 1092 H ARG 142 HN ARG 142 124.363 -12.391 11.049 1093 HA ARG 142 HA ARG 142 124.431 -13.669 13.739 1094 1HB ARG 142 HB2 ARG 142 126.571 -13.256 12.425 1095 2HB ARG 142 HB1 ARG 142 126.287 -11.531 12.663 1096 1HG ARG 142 HG2 ARG 142 126.333 -11.812 15.084 1097 2HG ARG 142 HG1 ARG 142 126.488 -13.561 14.907 1098 1HD ARG 142 HD2 ARG 142 128.598 -12.942 13.463 1099 2HD ARG 142 HD1 ARG 142 128.513 -11.414 14.341 1100 HE ARG 142 HE ARG 142 129.337 -13.976 15.443 1101 1HH1 ARG 142 HH21 ARG 142 127.845 -10.900 16.182 1102 2HH1 ARG 142 HH22 ARG 142 128.290 -10.972 17.852 1103 1HH2 ARG 142 HH11 ARG 142 129.891 -14.028 17.611 1104 2HH2 ARG 142 HH12 ARG 142 129.436 -12.722 18.654 1105 H THR 143 HN THR 143 123.183 -12.730 15.268 1106 HA THR 143 HA THR 143 122.196 -9.980 14.894 1107 HB THR 143 HB THR 143 121.685 -11.687 17.324 1108 HG1 THR 143 HG1 THR 143 119.952 -12.588 16.116 1109 1HG2 THR 143 HG23 THR 143 120.298 -9.471 15.837 1110 2HG2 THR 143 HG22 THR 143 119.380 -10.551 16.888 1111 3HG2 THR 143 HG21 THR 143 120.691 -9.576 17.553 1112 H VAL 144 HN VAL 144 122.834 -8.221 16.125 1113 HA VAL 144 HA VAL 144 124.824 -8.701 18.297 1114 HB VAL 144 HB VAL 144 125.075 -6.547 16.179 1115 1HG1 VAL 144 HG11 VAL 144 126.029 -6.043 18.432 1116 2HG1 VAL 144 HG13 VAL 144 127.010 -7.503 18.310 1117 3HG1 VAL 144 HG12 VAL 144 127.267 -6.171 17.183 1118 1HG2 VAL 144 HG22 VAL 144 126.285 -9.294 16.448 1119 2HG2 VAL 144 HG21 VAL 144 125.595 -8.526 15.018 1120 3HG2 VAL 144 HG23 VAL 144 127.166 -8.006 15.625 1121 H GLU 145 HN GLU 145 124.019 -7.794 20.116 1122 HA GLU 145 HA GLU 145 122.010 -5.630 19.903 1123 1HB GLU 145 HB2 GLU 145 121.685 -7.622 21.429 1124 2HB GLU 145 HB1 GLU 145 123.026 -7.014 22.401 1125 1HG GLU 145 HG2 GLU 145 121.845 -4.966 22.884 1126 2HG GLU 145 HG1 GLU 145 120.568 -5.372 21.736 1127 H ASP 146 HN ASP 146 122.522 -3.528 20.275 1128 HA ASP 146 HA ASP 146 125.289 -2.887 21.125 1129 1HB ASP 146 HB2 ASP 146 123.773 -1.829 19.145 1130 2HB ASP 146 HB1 ASP 146 123.373 -0.716 20.455 1131 H THR 147 HN THR 147 125.009 -0.460 22.345 1132 HA THR 147 HA THR 147 124.269 -1.140 25.020 1133 HB THR 147 HB THR 147 124.440 1.375 25.392 1134 HG1 THR 147 HG1 THR 147 125.295 2.491 23.549 1135 1HG2 THR 147 HG21 THR 147 126.661 -0.101 23.959 1136 2HG2 THR 147 HG23 THR 147 126.887 1.421 24.819 1137 3HG2 THR 147 HG22 THR 147 126.389 -0.024 25.699 1138 H ASN 148 HN ASN 148 122.615 0.893 22.589 1139 HA ASN 148 HA ASN 148 120.188 0.913 24.309 1140 1HB ASN 148 HB2 ASN 148 120.739 2.392 21.716 1141 2HB ASN 148 HB1 ASN 148 119.369 2.652 22.794 1142 1HD2 ASN 148 HD22 ASN 148 121.219 5.112 24.496 1143 2HD2 ASN 148 HD21 ASN 148 119.763 4.671 23.744 1144 HA PRO 149 HA PRO 149 117.999 -1.933 21.678 1145 1HB PRO 149 HB2 PRO 149 115.450 -0.772 21.783 1146 2HB PRO 149 HB1 PRO 149 116.127 -1.900 22.963 1147 1HG PRO 149 HG2 PRO 149 115.527 0.875 23.314 1148 2HG PRO 149 HG1 PRO 149 116.184 -0.264 24.499 1149 1HD PRO 149 HD2 PRO 149 117.570 1.813 22.982 1150 2HD PRO 149 HD1 PRO 149 118.129 0.891 24.386 1151 H ALA 150 HN ALA 150 117.647 1.494 20.962 1152 HA ALA 150 HA ALA 150 116.520 1.057 18.301 1153 1HB ALA 150 HB1 ALA 150 117.455 3.428 19.881 1154 2HB ALA 150 HB3 ALA 150 117.264 3.587 18.135 1155 3HB ALA 150 HB2 ALA 150 115.885 3.133 19.136 1156 H LEU 151 HN LEU 151 119.715 1.231 19.685 1157 HA LEU 151 HA LEU 151 120.953 1.657 17.025 1158 1HB LEU 151 HB2 LEU 151 122.153 1.434 19.801 1159 2HB LEU 151 HB1 LEU 151 123.083 1.719 18.329 1160 HG LEU 151 HG LEU 151 120.777 3.496 19.143 1161 1HD1 LEU 151 HD11 LEU 151 122.645 3.377 20.884 1162 2HD1 LEU 151 HD13 LEU 151 123.706 4.059 19.652 1163 3HD1 LEU 151 HD12 LEU 151 122.311 4.977 20.221 1164 1HD2 LEU 151 HD22 LEU 151 122.999 3.556 17.118 1165 2HD2 LEU 151 HD21 LEU 151 121.285 3.910 16.898 1166 3HD2 LEU 151 HD23 LEU 151 122.328 5.074 17.717 1167 H THR 152 HN THR 152 119.500 -0.873 17.817 1168 HA THR 152 HA THR 152 121.602 -2.897 18.078 1169 HB THR 152 HB THR 152 118.694 -3.313 17.330 1170 HG1 THR 152 HG1 THR 152 118.232 -2.817 19.298 1171 1HG2 THR 152 HG23 THR 152 120.954 -5.037 18.283 1172 2HG2 THR 152 HG22 THR 152 119.303 -5.459 18.735 1173 3HG2 THR 152 HG21 THR 152 119.752 -5.361 17.033 1174 H HIS 153 HN HIS 153 122.144 -4.431 16.400 1175 HA HIS 153 HA HIS 153 121.179 -3.837 13.663 1176 1HB HIS 153 HB2 HIS 153 123.533 -3.736 12.813 1177 2HB HIS 153 HB1 HIS 153 123.119 -2.380 13.860 1178 HD1 HIS 153 HD1 HIS 153 123.798 -2.832 16.516 1179 HD2 HIS 153 HD2 HIS 153 125.830 -5.037 13.621 1180 HE1 HIS 153 HE1 HIS 153 125.898 -3.709 17.626 1181 H THR 154 HN THR 154 121.627 -5.573 12.168 1182 HA THR 154 HA THR 154 122.700 -8.076 13.380 1183 HB THR 154 HB THR 154 120.137 -7.936 11.763 1184 HG1 THR 154 HG1 THR 154 119.256 -7.468 13.591 1185 1HG2 THR 154 HG23 THR 154 121.809 -10.113 12.935 1186 2HG2 THR 154 HG22 THR 154 120.057 -10.310 12.976 1187 3HG2 THR 154 HG21 THR 154 120.885 -10.092 11.434 1188 H TYR 155 HN TYR 155 124.368 -8.637 12.071 1189 HA TYR 155 HA TYR 155 124.633 -7.669 9.359 1190 1HB TYR 155 HB2 TYR 155 126.132 -9.892 10.782 1191 2HB TYR 155 HB1 TYR 155 126.626 -9.121 9.275 1192 HD1 TYR 155 HD1 TYR 155 126.512 -6.390 9.463 1193 HD2 TYR 155 HD2 TYR 155 127.213 -9.134 12.692 1194 HE1 TYR 155 HE1 TYR 155 127.634 -4.590 10.749 1195 HE2 TYR 155 HE2 TYR 155 128.335 -7.334 13.978 1196 HH TYR 155 HH TYR 155 129.524 -5.185 13.473 1197 H GLU 156 HN GLU 156 123.267 -8.414 7.805 1198 HA GLU 156 HA GLU 156 122.648 -11.341 7.767 1199 1HB GLU 156 HB2 GLU 156 121.097 -8.967 6.694 1200 2HB GLU 156 HB1 GLU 156 120.672 -10.646 6.357 1201 1HG GLU 156 HG2 GLU 156 120.673 -10.988 8.903 1202 2HG GLU 156 HG1 GLU 156 120.688 -9.229 9.024 1203 H VAL 157 HN VAL 157 123.504 -12.471 6.093 1204 HA VAL 157 HA VAL 157 124.613 -10.929 3.787 1205 HB VAL 157 HB VAL 157 125.304 -13.743 4.678 1206 1HG1 VAL 157 HG12 VAL 157 126.389 -11.832 2.606 1207 2HG1 VAL 157 HG11 VAL 157 127.372 -13.148 3.248 1208 3HG1 VAL 157 HG13 VAL 157 125.874 -13.504 2.389 1209 1HG2 VAL 157 HG22 VAL 157 126.381 -11.046 5.425 1210 2HG2 VAL 157 HG21 VAL 157 126.176 -12.482 6.427 1211 3HG2 VAL 157 HG23 VAL 157 127.509 -12.392 5.275 1212 H TRP 158 HN TRP 158 122.997 -10.896 2.264 1213 HA TRP 158 HA TRP 158 121.404 -13.344 1.769 1214 1HB TRP 158 HB2 TRP 158 121.239 -10.529 0.656 1215 2HB TRP 158 HB1 TRP 158 120.180 -11.845 0.149 1216 HD1 TRP 158 HD1 TRP 158 121.249 -10.115 3.445 1217 HE1 TRP 158 HE1 TRP 158 119.213 -10.088 5.027 1218 HE3 TRP 158 HE3 TRP 158 117.875 -12.663 0.583 1219 HZ2 TRP 158 HZ2 TRP 158 116.510 -11.024 5.072 1220 HZ3 TRP 158 HZ3 TRP 158 115.580 -13.081 1.416 1221 HH2 TRP 158 HH2 TRP 158 114.893 -12.266 3.656 1222 H GLN 159 HN GLN 159 122.054 -14.769 0.240 1223 HA GLN 159 HA GLN 159 123.905 -13.794 -1.897 1224 1HB GLN 159 HB2 GLN 159 123.723 -16.369 -0.372 1225 2HB GLN 159 HB1 GLN 159 124.346 -16.401 -2.023 1226 1HG GLN 159 HG2 GLN 159 125.725 -14.280 -1.043 1227 2HG GLN 159 HG1 GLN 159 125.544 -15.235 0.429 1228 1HE2 GLN 159 HE22 GLN 159 128.067 -16.498 -2.493 1229 2HE2 GLN 159 HE21 GLN 159 127.160 -15.074 -2.671 1230 H LYS 160 HN LYS 160 123.668 -14.995 -4.001 1231 HA LYS 160 HA LYS 160 120.876 -15.025 -4.815 1232 1HB LYS 160 HB2 LYS 160 122.898 -14.322 -6.235 1233 2HB LYS 160 HB1 LYS 160 123.213 -16.044 -6.438 1234 1HG LYS 160 HG2 LYS 160 121.323 -16.383 -7.723 1235 2HG LYS 160 HG1 LYS 160 120.436 -15.068 -6.951 1236 1HD LYS 160 HD2 LYS 160 120.937 -14.283 -9.144 1237 2HD LYS 160 HD1 LYS 160 122.100 -13.482 -8.087 1238 1HE LYS 160 HE2 LYS 160 123.713 -15.371 -8.609 1239 2HE LYS 160 HE1 LYS 160 122.574 -15.898 -9.849 1240 1HZ LYS 160 HZ3 LYS 160 122.744 -13.717 -10.878 1241 2HZ LYS 160 HZ2 LYS 160 123.851 -13.220 -9.688 1242 3HZ LYS 160 HZ1 LYS 160 124.268 -14.456 -10.777 1243 H LYS 161 HN LYS 161 119.683 -16.852 -5.544 1244 HA LYS 161 HA LYS 161 120.179 -19.304 -4.097 1245 1HB LYS 161 HB2 LYS 161 118.209 -18.527 -6.256 1246 2HB LYS 161 HB1 LYS 161 118.262 -20.153 -5.575 1247 1HG LYS 161 HG2 LYS 161 117.739 -19.359 -3.384 1248 2HG LYS 161 HG1 LYS 161 118.028 -17.682 -3.847 1249 1HD LYS 161 HD2 LYS 161 116.098 -17.749 -5.367 1250 2HD LYS 161 HD1 LYS 161 115.819 -19.441 -4.954 1251 1HE LYS 161 HE2 LYS 161 115.721 -18.575 -2.495 1252 2HE LYS 161 HE1 LYS 161 115.453 -16.997 -3.236 1253 1HZ LYS 161 HZ1 LYS 161 113.653 -18.140 -4.565 1254 2HZ LYS 161 HZ3 LYS 161 113.798 -19.437 -3.481 1255 3HZ LYS 161 HZ2 LYS 161 113.337 -17.903 -2.912 1256 H ALA 162 HN ALA 162 119.835 -18.874 -7.635 1257 HA ALA 162 HA ALA 162 121.411 -21.284 -8.133 1258 1HB ALA 162 HB1 ALA 162 120.159 -19.195 -9.927 1259 2HB ALA 162 HB3 ALA 162 121.143 -20.513 -10.561 1260 3HB ALA 162 HB2 ALA 162 119.651 -20.868 -9.691 1261 1HN2 MTX 170 1HN2 MTX 170 127.001 -1.474 7.803 1262 2HN2 MTX 170 2HN2 MTX 170 127.269 -2.061 6.234 1263 1HN4 MTX 170 1HN4 MTX 170 128.841 0.776 2.798 1264 2HN4 MTX 170 2HN4 MTX 170 129.149 2.414 3.121 1265 H7 MTX 170 H7 MTX 170 128.515 5.314 8.212 1266 1H9 MTX 170 H91 MTX 170 128.496 6.646 5.346 1267 2H9 MTX 170 H92 MTX 170 130.088 5.996 4.934 1268 1HM MTX 170 HM1 MTX 170 129.936 8.948 7.046 1269 2HM MTX 170 HM2 MTX 170 129.071 8.010 8.300 1270 3HM MTX 170 HM3 MTX 170 128.348 8.212 6.676 1271 H12 MTX 170 H13 MTX 170 132.906 6.671 10.337 1272 H13 MTX 170 H12 MTX 170 130.736 7.362 9.314 1273 H15 MTX 170 H16 MTX 170 131.927 5.523 5.570 1274 H16 MTX 170 H15 MTX 170 134.093 4.838 6.603 1275 HN MTX 170 HN MTX 170 134.643 3.389 8.461 1276 HA MTX 170 HA MTX 170 137.212 4.326 9.472 1277 1HB MTX 170 HB1 MTX 170 137.097 2.442 11.315 1278 2HB MTX 170 HB2 MTX 170 135.357 2.522 11.084 1279 1HG MTX 170 HG1 MTX 170 135.275 4.843 11.763 1280 2HG MTX 170 HG2 MTX 170 137.015 5.045 11.574 1281 HN1 MTX 170 H1N MTX 170 127.398 0.753 8.318 No H/Q in entry = 1281
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