NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
1091 | 1a5e | 4086 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 126.562 32.411 32.411 2 2H MET 1 3H MET 1 127.153 33.844 33.844 3 3H MET 1 2H MET 1 128.083 33.008 33.008 4 HA MET 1 HA MET 1 126.626 33.574 33.574 5 1HB MET 1 2HB MET 1 127.429 35.678 35.678 6 2HB MET 1 1HB MET 1 126.543 36.163 36.163 7 1HG MET 1 2HG MET 1 128.246 34.912 34.912 8 2HG MET 1 1HG MET 1 129.172 34.659 34.659 9 1HE MET 1 3HE MET 1 127.058 37.039 37.039 10 2HE MET 1 2HE MET 1 128.314 37.712 37.712 11 3HE MET 1 1HE MET 1 127.695 38.658 38.658 12 H GLU 2 H GLU 2 125.229 33.963 33.963 13 HA GLU 2 HA GLU 2 122.595 34.675 34.675 14 1HB GLU 2 2HB GLU 2 124.101 35.640 35.640 15 2HB GLU 2 1HB GLU 2 122.653 34.863 34.863 16 1HG GLU 2 2HG GLU 2 121.248 36.204 36.204 17 2HG GLU 2 1HG GLU 2 122.688 36.970 36.970 18 HA PRO 3 HA PRO 3 121.884 30.347 30.347 19 1HB PRO 3 2HB PRO 3 119.585 30.078 30.078 20 2HB PRO 3 1HB PRO 3 121.203 29.941 29.941 21 1HG PRO 3 2HG PRO 3 119.312 32.238 32.238 22 2HG PRO 3 1HG PRO 3 120.377 31.639 31.639 23 1HD PRO 3 2HD PRO 3 120.955 33.818 33.818 24 2HD PRO 3 1HD PRO 3 122.199 32.775 32.775 25 H ALA 4 H ALA 4 120.300 29.404 29.404 26 HA ALA 4 HA ALA 4 118.515 31.407 31.407 27 1HB ALA 4 3HB ALA 4 120.505 29.956 29.956 28 2HB ALA 4 2HB ALA 4 119.221 28.754 28.754 29 3HB ALA 4 1HB ALA 4 119.051 30.319 30.319 30 H ALA 5 H ALA 5 116.458 30.397 30.397 31 HA ALA 5 HA ALA 5 115.398 28.280 28.280 32 1HB ALA 5 3HB ALA 5 114.701 30.941 30.941 33 2HB ALA 5 2HB ALA 5 113.504 30.194 30.194 34 3HB ALA 5 1HB ALA 5 113.654 29.665 29.665 35 H GLY 6 H GLY 6 115.280 26.471 26.471 36 1HA GLY 6 2HA GLY 6 113.804 25.343 25.343 37 2HA GLY 6 1HA GLY 6 113.970 26.781 26.781 38 H SER 7 H SER 7 114.897 25.613 25.613 39 HA SER 7 HA SER 7 116.699 24.753 24.753 40 1HB SER 7 2HB SER 7 118.319 25.631 25.631 41 2HB SER 7 1HB SER 7 118.904 25.425 25.425 42 HG SER 7 HG SER 7 118.081 27.294 27.294 43 H SER 8 H SER 8 115.362 22.729 22.729 44 HA SER 8 HA SER 8 117.452 20.803 20.803 45 1HB SER 8 2HB SER 8 116.207 20.157 20.157 46 2HB SER 8 1HB SER 8 116.624 21.864 21.864 47 HG SER 8 HG SER 8 114.526 21.957 21.957 48 H MET 9 H MET 9 117.001 18.811 18.811 49 HA MET 9 HA MET 9 114.426 18.499 18.499 50 1HB MET 9 2HB MET 9 115.677 16.686 16.686 51 2HB MET 9 1HB MET 9 116.580 18.199 18.199 52 1HG MET 9 2HG MET 9 118.299 17.227 17.227 53 2HG MET 9 1HG MET 9 117.248 16.796 16.796 54 1HE MET 9 1HE MET 9 119.756 15.711 15.711 55 2HE MET 9 3HE MET 9 119.582 14.050 14.050 56 3HE MET 9 2HE MET 9 119.133 15.400 15.400 57 H GLU 10 H GLU 10 113.118 18.011 18.011 58 HA GLU 10 HA GLU 10 112.052 16.487 16.487 59 1HB GLU 10 2HB GLU 10 112.517 15.225 15.225 60 2HB GLU 10 1HB GLU 10 113.649 14.298 14.298 61 1HG GLU 10 2HG GLU 10 111.886 13.046 13.046 62 2HG GLU 10 1HG GLU 10 111.341 14.449 14.449 63 HA PRO 11 HA PRO 11 115.985 16.225 16.225 64 1HB PRO 11 2HB PRO 11 115.092 17.796 17.796 65 2HB PRO 11 1HB PRO 11 115.912 18.451 18.451 66 1HG PRO 11 2HG PRO 11 113.004 18.346 18.346 67 2HG PRO 11 1HG PRO 11 113.950 19.642 19.642 68 1HD PRO 11 2HD PRO 11 112.384 17.951 17.951 69 2HD PRO 11 1HD PRO 11 113.865 18.683 18.683 70 H SER 12 H SER 12 114.540 14.034 14.034 71 HA SER 12 HA SER 12 113.134 13.614 13.614 72 1HB SER 12 2HB SER 12 112.986 12.625 12.625 73 2HB SER 12 1HB SER 12 113.198 11.276 11.276 74 HG SER 12 HG SER 12 110.980 12.470 12.470 75 H ALA 13 H ALA 13 114.552 13.059 13.059 76 HA ALA 13 HA ALA 13 116.377 10.772 10.772 77 1HB ALA 13 1HB ALA 13 117.284 13.298 13.298 78 2HB ALA 13 3HB ALA 13 117.687 13.138 13.138 79 3HB ALA 13 2HB ALA 13 118.319 11.977 11.977 80 H ASP 14 H ASP 14 115.995 13.437 13.437 81 HA ASP 14 HA ASP 14 116.091 11.464 11.464 82 1HB ASP 14 2HB ASP 14 116.035 14.473 14.473 83 2HB ASP 14 1HB ASP 14 115.899 13.673 13.673 84 H TRP 15 H TRP 15 113.698 12.472 12.472 85 HA TRP 15 HA TRP 15 111.546 13.125 13.125 86 1HB TRP 15 2HB TRP 15 111.729 12.141 12.141 87 2HB TRP 15 1HB TRP 15 110.203 12.581 12.581 88 HD1 TRP 15 HD1 TRP 15 112.696 14.782 14.782 89 HE1 TRP 15 HE1 TRP 15 112.718 17.077 17.077 90 HE3 TRP 15 HE3 TRP 15 109.998 13.655 13.655 91 HZ2 TRP 15 HZ2 TRP 15 111.727 18.277 18.277 92 HZ3 TRP 15 HZ3 TRP 15 109.551 15.392 15.392 93 HH2 TRP 15 HH2 TRP 15 110.412 17.697 17.697 94 H LEU 16 H LEU 16 113.139 10.185 10.185 95 HA LEU 16 HA LEU 16 110.876 8.393 8.393 96 1HB LEU 16 2HB LEU 16 112.570 7.345 7.345 97 2HB LEU 16 1HB LEU 16 113.818 8.320 8.320 98 HG LEU 16 HG LEU 16 113.608 6.961 6.961 99 1HD1 LEU 16 2HD1 LEU 16 111.365 5.793 5.793 100 2HD1 LEU 16 1HD1 LEU 16 112.267 4.714 4.714 101 3HD1 LEU 16 3HD1 LEU 16 111.455 6.126 6.126 102 1HD2 LEU 16 2HD2 LEU 16 114.762 6.190 6.190 103 2HD2 LEU 16 1HD2 LEU 16 115.109 5.504 5.504 104 3HD2 LEU 16 3HD2 LEU 16 113.901 4.749 4.749 105 H ALA 17 H ALA 17 113.684 9.050 9.050 106 HA ALA 17 HA ALA 17 112.646 7.696 7.696 107 1HB ALA 17 2HB ALA 17 114.762 9.662 9.662 108 2HB ALA 17 1HB ALA 17 114.266 9.650 9.650 109 3HB ALA 17 3HB ALA 17 114.873 8.174 8.174 110 H THR 18 H THR 18 112.604 11.167 11.167 111 HA THR 18 HA THR 18 111.296 12.332 12.332 112 HB THR 18 HB THR 18 110.122 13.627 13.627 113 HG1 THR 18 HG1 THR 18 110.521 12.488 12.488 114 1HG2 THR 18 3HG2 THR 18 112.635 13.758 13.758 115 2HG2 THR 18 2HG2 THR 18 112.911 14.125 14.125 116 3HG2 THR 18 1HG2 THR 18 111.744 15.066 15.066 117 H ALA 19 H ALA 19 109.419 11.288 11.288 118 HA ALA 19 HA ALA 19 106.840 11.369 11.369 119 1HB ALA 19 2HB ALA 19 108.293 9.601 9.601 120 2HB ALA 19 1HB ALA 19 106.591 9.291 9.291 121 3HB ALA 19 3HB ALA 19 107.087 10.846 10.846 122 H ALA 20 H ALA 20 109.031 8.531 8.531 123 HA ALA 20 HA ALA 20 107.491 6.671 6.671 124 1HB ALA 20 3HB ALA 20 110.152 7.039 7.039 125 2HB ALA 20 2HB ALA 20 110.237 6.885 6.885 126 3HB ALA 20 1HB ALA 20 109.499 5.607 5.607 127 H ALA 21 H ALA 21 109.638 9.100 9.100 128 HA ALA 21 HA ALA 21 108.851 8.555 8.555 129 1HB ALA 21 1HB ALA 21 110.789 9.957 9.957 130 2HB ALA 21 3HB ALA 21 109.653 11.289 11.289 131 3HB ALA 21 2HB ALA 21 110.219 10.383 10.383 132 H ARG 22 H ARG 22 107.240 10.324 10.324 133 HA ARG 22 HA ARG 22 105.478 11.730 11.730 134 1HB ARG 22 2HB ARG 22 105.760 11.861 11.861 135 2HB ARG 22 1HB ARG 22 104.761 12.939 12.939 136 1HG ARG 22 2HG ARG 22 107.016 13.300 13.300 137 2HG ARG 22 1HG ARG 22 107.746 12.776 12.776 138 1HD ARG 22 2HD ARG 22 105.750 15.054 15.054 139 2HD ARG 22 1HD ARG 22 107.501 15.242 15.242 140 HE ARG 22 HE ARG 22 106.258 13.509 13.509 141 1HH1 ARG 22 2HH1 ARG 22 106.634 16.820 16.820 142 2HH1 ARG 22 1HH1 ARG 22 106.891 17.368 17.368 143 1HH2 ARG 22 1HH2 ARG 22 106.810 14.184 14.184 144 2HH2 ARG 22 2HH2 ARG 22 106.987 15.877 15.877 145 H GLY 23 H GLY 23 105.367 8.715 8.715 146 1HA GLY 23 2HA GLY 23 103.707 7.117 7.117 147 2HA GLY 23 1HA GLY 23 102.598 8.334 8.334 148 H ARG 24 H ARG 24 104.568 8.115 8.115 149 HA ARG 24 HA ARG 24 102.051 8.576 8.576 150 1HB ARG 24 2HB ARG 24 104.870 9.588 9.588 151 2HB ARG 24 1HB ARG 24 103.433 9.973 9.973 152 1HG ARG 24 2HG ARG 24 103.143 10.513 10.513 153 2HG ARG 24 1HG ARG 24 104.378 11.490 11.490 154 1HD ARG 24 2HD ARG 24 102.783 12.318 12.318 155 2HD ARG 24 1HD ARG 24 101.543 11.187 11.187 156 HE ARG 24 HE ARG 24 102.425 12.660 12.660 157 1HH1 ARG 24 2HH1 ARG 24 100.917 13.268 13.268 158 2HH1 ARG 24 1HH1 ARG 24 99.948 14.570 14.570 159 1HH2 ARG 24 1HH2 ARG 24 101.133 14.329 14.329 160 2HH2 ARG 24 2HH2 ARG 24 100.074 15.175 15.175 161 H VAL 25 H VAL 25 101.884 6.274 6.274 162 HA VAL 25 HA VAL 25 104.097 4.729 4.729 163 HB VAL 25 HB VAL 25 101.089 4.330 4.330 164 1HG1 VAL 25 1HG1 VAL 25 103.322 2.509 2.509 165 2HG1 VAL 25 3HG1 VAL 25 101.835 1.855 1.855 166 3HG1 VAL 25 2HG1 VAL 25 101.776 2.824 2.824 167 1HG2 VAL 25 3HG2 VAL 25 103.129 4.268 4.268 168 2HG2 VAL 25 2HG2 VAL 25 101.446 3.770 3.770 169 3HG2 VAL 25 1HG2 VAL 25 102.667 2.594 2.594 170 H GLU 26 H GLU 26 101.260 6.356 6.356 171 HA GLU 26 HA GLU 26 101.697 5.449 5.449 172 1HB GLU 26 2HB GLU 26 99.967 7.247 7.247 173 2HB GLU 26 1HB GLU 26 100.382 7.929 7.929 174 1HG GLU 26 2HG GLU 26 99.845 5.189 5.189 175 2HG GLU 26 1HG GLU 26 98.566 5.767 5.767 176 H GLU 27 H GLU 27 102.860 8.269 8.269 177 HA GLU 27 HA GLU 27 103.906 9.766 9.766 178 1HB GLU 27 2HB GLU 27 103.622 10.222 10.222 179 2HB GLU 27 1HB GLU 27 105.283 9.634 9.634 180 1HG GLU 27 2HG GLU 27 105.705 11.872 11.872 181 2HG GLU 27 1HG GLU 27 105.567 11.319 11.319 182 H VAL 28 H VAL 28 105.531 7.399 7.399 183 HA VAL 28 HA VAL 28 108.005 7.424 7.424 184 HB VAL 28 HB VAL 28 106.892 5.314 5.314 185 1HG1 VAL 28 3HG1 VAL 28 109.569 5.973 5.973 186 2HG1 VAL 28 2HG1 VAL 28 109.519 5.414 5.414 187 3HG1 VAL 28 1HG1 VAL 28 108.871 4.401 4.401 188 1HG2 VAL 28 2HG2 VAL 28 107.605 8.094 8.094 189 2HG2 VAL 28 1HG2 VAL 28 106.882 6.942 6.942 190 3HG2 VAL 28 3HG2 VAL 28 108.637 7.021 7.021 191 H ARG 29 H ARG 29 105.305 5.051 5.051 192 HA ARG 29 HA ARG 29 106.157 3.021 3.021 193 1HB ARG 29 2HB ARG 29 103.666 4.228 4.228 194 2HB ARG 29 1HB ARG 29 103.534 3.730 3.730 195 1HG ARG 29 2HG ARG 29 103.228 1.621 1.621 196 2HG ARG 29 1HG ARG 29 104.883 1.628 1.628 197 1HD ARG 29 2HD ARG 29 104.124 2.491 2.491 198 2HD ARG 29 1HD ARG 29 102.454 2.559 2.559 199 HE ARG 29 HE ARG 29 103.550 0.233 0.233 200 1HH1 ARG 29 2HH1 ARG 29 100.964 0.841 0.841 201 2HH1 ARG 29 1HH1 ARG 29 101.043 -0.550 -0.550 202 1HH2 ARG 29 1HH2 ARG 29 104.251 -1.418 -1.418 203 2HH2 ARG 29 2HH2 ARG 29 102.897 -1.833 -1.833 204 H ALA 30 H ALA 30 104.953 6.193 6.193 205 HA ALA 30 HA ALA 30 105.326 5.599 5.599 206 1HB ALA 30 2HB ALA 30 103.769 7.277 7.277 207 2HB ALA 30 1HB ALA 30 105.176 8.338 8.338 208 3HB ALA 30 3HB ALA 30 104.432 7.756 7.756 209 H LEU 31 H LEU 31 107.003 7.662 7.662 210 HA LEU 31 HA LEU 31 109.172 8.484 8.484 211 1HB LEU 31 2HB LEU 31 108.677 8.174 8.174 212 2HB LEU 31 1HB LEU 31 110.263 8.678 8.678 213 HG LEU 31 HG LEU 31 108.070 10.134 10.134 214 1HD1 LEU 31 3HD1 LEU 31 108.011 9.767 9.767 215 2HD1 LEU 31 2HD1 LEU 31 108.201 11.463 11.463 216 3HD1 LEU 31 1HD1 LEU 31 106.828 10.543 10.543 217 1HD2 LEU 31 3HD2 LEU 31 110.799 10.480 10.480 218 2HD2 LEU 31 2HD2 LEU 31 109.760 11.609 11.609 219 3HD2 LEU 31 1HD2 LEU 31 109.903 11.714 11.714 220 H LEU 32 H LEU 32 109.209 6.028 6.028 221 HA LEU 32 HA LEU 32 111.674 4.848 4.848 222 1HB LEU 32 2HB LEU 32 109.631 4.381 4.381 223 2HB LEU 32 1HB LEU 32 109.115 3.268 3.268 224 HG LEU 32 HG LEU 32 110.570 1.692 1.692 225 1HD1 LEU 32 3HD1 LEU 32 112.447 2.887 2.887 226 2HD1 LEU 32 2HD1 LEU 32 112.696 3.827 3.827 227 3HD1 LEU 32 1HD1 LEU 32 112.966 2.084 2.084 228 1HD2 LEU 32 1HD2 LEU 32 109.748 2.571 2.571 229 2HD2 LEU 32 3HD2 LEU 32 111.340 1.826 1.826 230 3HD2 LEU 32 2HD2 LEU 32 111.189 3.582 3.582 231 H GLU 33 H GLU 33 108.781 4.028 4.028 232 HA GLU 33 HA GLU 33 110.186 2.102 2.102 233 1HB GLU 33 2HB GLU 33 107.601 2.617 2.617 234 2HB GLU 33 1HB GLU 33 107.684 3.419 3.419 235 1HG GLU 33 2HG GLU 33 108.135 1.446 1.446 236 2HG GLU 33 1HG GLU 33 108.820 0.657 0.657 237 H ALA 34 H ALA 34 109.941 5.527 5.527 238 HA ALA 34 HA ALA 34 110.369 5.879 5.879 239 1HB ALA 34 1HB ALA 34 108.997 7.317 7.317 240 2HB ALA 34 3HB ALA 34 110.556 7.955 7.955 241 3HB ALA 34 2HB ALA 34 110.029 8.168 8.168 242 H GLY 35 H GLY 35 112.353 5.231 5.231 243 1HA GLY 35 2HA GLY 35 114.759 4.835 4.835 244 2HA GLY 35 1HA GLY 35 114.691 6.452 6.452 245 H ALA 36 H ALA 36 113.011 6.094 6.094 246 HA ALA 36 HA ALA 36 114.520 8.071 8.071 247 1HB ALA 36 3HB ALA 36 112.238 6.586 6.586 248 2HB ALA 36 2HB ALA 36 113.298 5.982 5.982 249 3HB ALA 36 1HB ALA 36 112.925 7.704 7.704 250 H LEU 37 H LEU 37 116.404 7.993 7.993 251 HA LEU 37 HA LEU 37 118.056 5.573 5.573 252 1HB LEU 37 2HB LEU 37 118.790 7.958 7.958 253 2HB LEU 37 1HB LEU 37 118.535 8.255 8.255 254 HG LEU 37 HG LEU 37 120.166 6.460 6.460 255 1HD1 LEU 37 1HD1 LEU 37 119.816 5.893 5.893 256 2HD1 LEU 37 3HD1 LEU 37 121.518 6.215 6.215 257 3HD1 LEU 37 2HD1 LEU 37 120.673 4.950 4.950 258 1HD2 LEU 37 1HD2 LEU 37 120.797 8.916 8.916 259 2HD2 LEU 37 3HD2 LEU 37 122.114 7.752 7.752 260 3HD2 LEU 37 2HD2 LEU 37 121.379 8.424 8.424 261 HA PRO 38 HA PRO 38 116.527 4.381 4.381 262 1HB PRO 38 2HB PRO 38 117.796 1.962 1.962 263 2HB PRO 38 1HB PRO 38 116.283 2.229 2.229 264 1HG PRO 38 2HG PRO 38 119.069 2.058 2.058 265 2HG PRO 38 1HG PRO 38 117.559 1.478 1.478 266 1HD PRO 38 2HD PRO 38 118.839 3.772 3.772 267 2HD PRO 38 1HD PRO 38 117.094 3.492 3.492 268 H ASN 39 H ASN 39 119.927 4.123 4.123 269 HA ASN 39 HA ASN 39 120.858 4.286 4.286 270 1HB ASN 39 2HB ASN 39 122.397 4.192 4.192 271 2HB ASN 39 1HB ASN 39 123.031 3.850 3.850 272 1HD2 ASN 39 1HD2 ASN 39 120.400 2.400 2.400 273 2HD2 ASN 39 2HD2 ASN 39 120.547 0.894 0.894 274 H ALA 40 H ALA 40 119.477 6.568 6.568 275 HA ALA 40 HA ALA 40 121.298 8.626 8.626 276 1HB ALA 40 2HB ALA 40 118.751 8.426 8.426 277 2HB ALA 40 1HB ALA 40 118.644 8.983 8.983 278 3HB ALA 40 3HB ALA 40 119.367 10.019 10.019 279 HA PRO 41 HA PRO 41 123.023 9.711 9.711 280 1HB PRO 41 2HB PRO 41 123.736 12.300 12.300 281 2HB PRO 41 1HB PRO 41 124.612 10.904 10.904 282 1HG PRO 41 2HG PRO 41 122.600 12.668 12.668 283 2HG PRO 41 1HG PRO 41 124.074 11.954 11.954 284 1HD PRO 41 2HD PRO 41 121.571 10.966 10.966 285 2HD PRO 41 1HD PRO 41 123.049 9.977 9.977 286 H ASN 42 H ASN 42 121.097 9.678 9.678 287 HA ASN 42 HA ASN 42 119.081 11.720 11.720 288 1HB ASN 42 2HB ASN 42 120.043 9.554 9.554 289 2HB ASN 42 1HB ASN 42 118.811 10.682 10.682 290 1HD2 ASN 42 1HD2 ASN 42 119.517 8.431 8.431 291 2HD2 ASN 42 2HD2 ASN 42 117.891 8.091 8.091 292 H SER 43 H SER 43 118.739 13.369 13.369 293 HA SER 43 HA SER 43 121.279 14.675 14.675 294 1HB SER 43 2HB SER 43 118.949 15.569 15.569 295 2HB SER 43 1HB SER 43 118.627 15.854 15.854 296 HG SER 43 HG SER 43 119.756 17.568 17.568 297 H TYR 44 H TYR 44 119.359 12.373 12.373 298 HA TYR 44 HA TYR 44 119.666 13.487 13.487 299 1HB TYR 44 2HB TYR 44 117.888 11.206 11.206 300 2HB TYR 44 1HB TYR 44 117.752 12.164 12.164 301 HD1 TYR 44 HD2 TYR 44 117.294 12.185 12.185 302 HD2 TYR 44 HD1 TYR 44 116.704 14.332 14.332 303 HE1 TYR 44 HE2 TYR 44 115.796 13.776 13.776 304 HE2 TYR 44 HE1 TYR 44 115.205 15.922 15.922 305 HH TYR 44 HH TYR 44 114.428 15.518 15.518 306 H GLY 45 H GLY 45 121.624 11.909 11.909 307 1HA GLY 45 2HA GLY 45 123.064 10.061 10.061 308 2HA GLY 45 1HA GLY 45 122.971 10.394 10.394 309 H ARG 46 H ARG 46 120.178 9.546 9.546 310 HA ARG 46 HA ARG 46 119.981 6.985 6.985 311 1HB ARG 46 2HB ARG 46 118.130 9.179 9.179 312 2HB ARG 46 1HB ARG 46 117.448 7.557 7.557 313 1HG ARG 46 2HG ARG 46 118.520 7.225 7.225 314 2HG ARG 46 1HG ARG 46 118.653 8.980 8.980 315 1HD ARG 46 2HD ARG 46 116.155 9.060 9.060 316 2HD ARG 46 1HD ARG 46 116.121 7.322 7.322 317 HE ARG 46 HE ARG 46 117.019 9.394 9.394 318 1HH1 ARG 46 2HH1 ARG 46 114.474 7.394 7.394 319 2HH1 ARG 46 1HH1 ARG 46 114.673 6.451 6.451 320 1HH2 ARG 46 1HH2 ARG 46 117.804 7.737 7.737 321 2HH2 ARG 46 2HH2 ARG 46 116.555 6.647 6.647 322 H ARG 47 H ARG 47 117.888 5.876 5.876 323 HA ARG 47 HA ARG 47 119.317 5.299 5.299 324 1HB ARG 47 2HB ARG 47 118.136 3.741 3.741 325 2HB ARG 47 1HB ARG 47 117.553 3.220 3.220 326 1HG ARG 47 2HG ARG 47 119.553 1.962 1.962 327 2HG ARG 47 1HG ARG 47 119.973 3.162 3.162 328 1HD ARG 47 2HD ARG 47 120.334 4.405 4.405 329 2HD ARG 47 1HD ARG 47 121.136 2.824 2.824 330 HE ARG 47 HE ARG 47 121.755 3.946 3.946 331 1HH1 ARG 47 2HH1 ARG 47 121.740 6.129 6.129 332 2HH1 ARG 47 1HH1 ARG 47 123.452 6.292 6.292 333 1HH2 ARG 47 1HH2 ARG 47 124.191 3.475 3.475 334 2HH2 ARG 47 2HH2 ARG 47 124.838 4.785 4.785 335 HA PRO 48 HA PRO 48 115.718 6.202 6.202 336 1HB PRO 48 2HB PRO 48 115.261 3.962 3.962 337 2HB PRO 48 1HB PRO 48 116.626 5.057 5.057 338 1HG PRO 48 2HG PRO 48 116.571 2.443 2.443 339 2HG PRO 48 1HG PRO 48 117.781 3.091 3.091 340 1HD PRO 48 2HD PRO 48 118.106 3.091 3.091 341 2HD PRO 48 1HD PRO 48 118.814 4.327 4.327 342 H ILE 49 H ILE 49 115.614 3.225 3.225 343 HA ILE 49 HA ILE 49 112.617 3.338 3.338 344 HB ILE 49 HB ILE 49 114.720 1.205 1.205 345 1HG1 ILE 49 2HG1 ILE 49 112.239 1.612 1.612 346 2HG1 ILE 49 1HG1 ILE 49 113.909 1.479 1.479 347 1HG2 ILE 49 1HG2 ILE 49 113.112 1.048 1.048 348 2HG2 ILE 49 3HG2 ILE 49 111.801 0.876 0.876 349 3HG2 ILE 49 2HG2 ILE 49 113.067 -0.345 -0.345 350 1HD1 ILE 49 1HD1 ILE 49 113.769 -0.882 -0.882 351 2HD1 ILE 49 3HD1 ILE 49 112.039 -0.670 -0.670 352 3HD1 ILE 49 2HD1 ILE 49 113.147 -0.672 -0.672 353 H GLN 50 H GLN 50 115.540 3.160 3.160 354 HA GLN 50 HA GLN 50 114.444 2.905 2.905 355 1HB GLN 50 2HB GLN 50 116.826 2.992 2.992 356 2HB GLN 50 1HB GLN 50 116.695 4.635 4.635 357 1HG GLN 50 2HG GLN 50 116.736 5.542 5.542 358 2HG GLN 50 1HG GLN 50 115.609 4.345 4.345 359 1HE2 GLN 50 1HE2 GLN 50 119.004 4.420 4.420 360 2HE2 GLN 50 2HE2 GLN 50 119.621 3.405 3.405 361 H VAL 51 H VAL 51 114.143 5.570 5.570 362 HA VAL 51 HA VAL 51 113.039 7.355 7.355 363 HB VAL 51 HB VAL 51 114.910 7.987 7.987 364 1HG1 VAL 51 3HG1 VAL 51 112.599 7.852 7.852 365 2HG1 VAL 51 2HG1 VAL 51 114.126 8.668 8.668 366 3HG1 VAL 51 1HG1 VAL 51 114.098 6.927 6.927 367 1HG2 VAL 51 2HG2 VAL 51 112.335 9.542 9.542 368 2HG2 VAL 51 1HG2 VAL 51 113.854 9.798 9.798 369 3HG2 VAL 51 3HG2 VAL 51 113.731 10.202 10.202 370 H MET 52 H MET 52 112.026 5.203 5.203 371 HA MET 52 HA MET 52 109.718 6.549 6.549 372 1HB MET 52 2HB MET 52 109.185 4.382 4.382 373 2HB MET 52 1HB MET 52 110.944 4.457 4.457 374 1HG MET 52 2HG MET 52 110.819 2.503 2.503 375 2HG MET 52 1HG MET 52 110.338 3.490 3.490 376 1HE MET 52 2HE MET 52 110.008 0.690 0.690 377 2HE MET 52 1HE MET 52 108.778 1.021 1.021 378 3HE MET 52 3HE MET 52 108.389 0.029 0.029 379 H MET 53 H MET 53 107.439 6.005 6.005 380 HA MET 53 HA MET 53 106.839 6.269 6.269 381 1HB MET 53 2HB MET 53 105.502 6.127 6.127 382 2HB MET 53 1HB MET 53 104.629 5.134 5.134 383 1HG MET 53 2HG MET 53 105.530 7.720 7.720 384 2HG MET 53 1HG MET 53 104.374 7.866 7.866 385 1HE MET 53 2HE MET 53 102.674 6.160 6.160 386 2HE MET 53 1HE MET 53 101.601 5.515 5.515 387 3HE MET 53 3HE MET 53 101.522 7.226 7.226 388 H MET 54 H MET 54 107.531 4.637 4.637 389 HA MET 54 HA MET 54 107.759 1.875 1.875 390 1HB MET 54 2HB MET 54 107.818 3.620 3.620 391 2HB MET 54 1HB MET 54 107.442 1.927 1.927 392 1HG MET 54 2HG MET 54 109.906 2.459 2.459 393 2HG MET 54 1HG MET 54 109.473 1.192 1.192 394 1HE MET 54 3HE MET 54 110.373 0.913 0.913 395 2HE MET 54 2HE MET 54 110.879 1.993 1.993 396 3HE MET 54 1HE MET 54 111.936 1.731 1.731 397 H GLY 55 H GLY 55 104.944 3.737 3.737 398 1HA GLY 55 2HA GLY 55 103.369 1.465 1.465 399 2HA GLY 55 1HA GLY 55 102.764 3.097 3.097 400 H SER 56 H SER 56 104.628 1.414 1.414 401 HA SER 56 HA SER 56 102.267 0.482 0.482 402 1HB SER 56 2HB SER 56 103.531 3.121 3.121 403 2HB SER 56 1HB SER 56 103.323 2.185 2.185 404 HG SER 56 HG SER 56 101.512 3.601 3.601 405 H ALA 57 H ALA 57 103.688 -1.453 -1.453 406 HA ALA 57 HA ALA 57 106.306 -1.806 -1.806 407 1HB ALA 57 3HB ALA 57 103.804 -3.486 -3.486 408 2HB ALA 57 2HB ALA 57 105.276 -4.150 -4.150 409 3HB ALA 57 1HB ALA 57 105.263 -3.641 -3.641 410 H ARG 58 H ARG 58 103.385 -1.202 -1.202 411 HA ARG 58 HA ARG 58 104.001 -2.137 -2.137 412 1HB ARG 58 2HB ARG 58 102.296 -0.164 -0.164 413 2HB ARG 58 1HB ARG 58 102.812 0.403 0.403 414 1HG ARG 58 2HG ARG 58 101.823 -1.409 -1.409 415 2HG ARG 58 1HG ARG 58 101.794 -2.409 -2.409 416 1HD ARG 58 2HD ARG 58 99.938 -1.216 -1.216 417 2HD ARG 58 1HD ARG 58 100.153 0.143 0.143 418 HE ARG 58 HE ARG 58 99.184 -2.571 -2.571 419 1HH1 ARG 58 1HH2 ARG 58 97.886 0.363 0.363 420 2HH1 ARG 58 2HH2 ARG 58 97.682 0.620 0.620 421 1HH2 ARG 58 2HH1 ARG 58 99.652 -2.076 -2.076 422 2HH2 ARG 58 1HH1 ARG 58 98.675 -0.759 -0.759 423 H VAL 59 H VAL 59 104.857 1.044 1.044 424 HA VAL 59 HA VAL 59 106.334 2.096 2.096 425 HB VAL 59 HB VAL 59 107.163 2.495 2.495 426 1HG1 VAL 59 2HG1 VAL 59 108.079 3.618 3.618 427 2HG1 VAL 59 1HG1 VAL 59 106.694 4.675 4.675 428 3HG1 VAL 59 3HG1 VAL 59 107.944 4.527 4.527 429 1HG2 VAL 59 3HG2 VAL 59 104.527 3.065 3.065 430 2HG2 VAL 59 2HG2 VAL 59 104.947 2.833 2.833 431 3HG2 VAL 59 1HG2 VAL 59 105.247 4.387 4.387 432 H ALA 60 H ALA 60 107.804 0.667 0.667 433 HA ALA 60 HA ALA 60 110.431 0.378 0.378 434 1HB ALA 60 1HB ALA 60 108.491 -1.066 -1.066 435 2HB ALA 60 3HB ALA 60 109.864 -2.058 -2.058 436 3HB ALA 60 2HB ALA 60 110.136 -0.553 -0.553 437 H GLU 61 H GLU 61 107.765 -1.796 -1.796 438 HA GLU 61 HA GLU 61 109.277 -3.713 -3.713 439 1HB GLU 61 2HB GLU 61 106.683 -3.360 -3.360 440 2HB GLU 61 1HB GLU 61 106.626 -2.798 -2.798 441 1HG GLU 61 2HG GLU 61 108.209 -5.181 -5.181 442 2HG GLU 61 1HG GLU 61 106.703 -5.494 -5.494 443 H LEU 62 H LEU 62 107.760 -0.648 -0.648 444 HA LEU 62 HA LEU 62 108.450 -0.720 -0.720 445 1HB LEU 62 2HB LEU 62 107.451 1.104 1.104 446 2HB LEU 62 1HB LEU 62 108.841 1.903 1.903 447 HG LEU 62 HG LEU 62 106.349 0.875 0.875 448 1HD1 LEU 62 3HD1 LEU 62 107.166 3.361 3.361 449 2HD1 LEU 62 2HD1 LEU 62 107.480 3.441 3.441 450 3HD1 LEU 62 1HD1 LEU 62 105.863 3.062 3.062 451 1HD2 LEU 62 3HD2 LEU 62 109.074 0.899 0.899 452 2HD2 LEU 62 2HD2 LEU 62 107.600 0.272 0.272 453 3HD2 LEU 62 1HD2 LEU 62 108.020 1.975 1.975 454 H LEU 63 H LEU 63 110.328 0.783 0.783 455 HA LEU 63 HA LEU 63 112.678 1.299 1.299 456 1HB LEU 63 2HB LEU 63 112.191 0.945 0.945 457 2HB LEU 63 1HB LEU 63 113.667 1.617 1.617 458 HG LEU 63 HG LEU 63 111.672 3.083 3.083 459 1HD1 LEU 63 1HD1 LEU 63 110.623 2.015 2.015 460 2HD1 LEU 63 3HD1 LEU 63 110.719 3.775 3.775 461 3HD1 LEU 63 2HD1 LEU 63 109.804 2.979 2.979 462 1HD2 LEU 63 3HD2 LEU 63 113.455 3.551 3.551 463 2HD2 LEU 63 2HD2 LEU 63 113.626 4.170 4.170 464 3HD2 LEU 63 1HD2 LEU 63 112.384 4.826 4.826 465 H LEU 64 H LEU 64 111.796 -1.344 -1.344 466 HA LEU 64 HA LEU 64 114.254 -2.804 -2.804 467 1HB LEU 64 2HB LEU 64 112.316 -2.985 -2.985 468 2HB LEU 64 1HB LEU 64 111.465 -3.905 -3.905 469 HG LEU 64 HG LEU 64 114.088 -4.986 -4.986 470 1HD1 LEU 64 2HD1 LEU 64 113.835 -3.776 -3.776 471 2HD1 LEU 64 1HD1 LEU 64 112.787 -5.146 -5.146 472 3HD1 LEU 64 3HD1 LEU 64 114.471 -5.419 -5.419 473 1HD2 LEU 64 2HD2 LEU 64 111.276 -5.817 -5.817 474 2HD2 LEU 64 1HD2 LEU 64 112.580 -6.611 -6.611 475 3HD2 LEU 64 3HD2 LEU 64 112.448 -6.810 -6.810 476 H LEU 65 H LEU 65 111.140 -3.417 -3.417 477 HA LEU 65 HA LEU 65 111.859 -5.535 -5.535 478 1HB LEU 65 2HB LEU 65 109.595 -4.770 -4.770 479 2HB LEU 65 1HB LEU 65 110.065 -3.117 -3.117 480 HG LEU 65 HG LEU 65 110.854 -3.991 -3.991 481 1HD1 LEU 65 1HD1 LEU 65 109.881 -6.475 -6.475 482 2HD1 LEU 65 3HD1 LEU 65 109.297 -6.212 -6.212 483 3HD1 LEU 65 2HD1 LEU 65 111.030 -6.256 -6.256 484 1HD2 LEU 65 3HD2 LEU 65 107.979 -4.011 -4.011 485 2HD2 LEU 65 2HD2 LEU 65 108.829 -2.803 -2.803 486 3HD2 LEU 65 1HD2 LEU 65 108.393 -4.354 -4.354 487 H HIS 66 H HIS 66 112.535 -2.100 -2.100 488 HA HIS 66 HA HIS 66 113.740 -2.297 -2.297 489 1HB HIS 66 2HB HIS 66 113.039 -0.321 -0.321 490 2HB HIS 66 1HB HIS 66 114.322 0.132 0.132 491 HD1 HIS 66 HD1 HIS 66 113.594 1.045 1.045 492 HD2 HIS 66 HD2 HIS 66 110.568 -1.124 -1.124 493 HE1 HIS 66 HE1 HIS 66 111.526 1.295 1.295 494 H GLY 67 H GLY 67 114.802 -2.104 -2.104 495 1HA GLY 67 2HA GLY 67 116.944 -3.377 -3.377 496 2HA GLY 67 1HA GLY 67 117.584 -2.450 -2.450 497 H ALA 68 H ALA 68 115.782 -1.641 -1.641 498 HA ALA 68 HA ALA 68 117.233 0.890 0.890 499 1HB ALA 68 3HB ALA 68 114.850 -0.215 -0.215 500 2HB ALA 68 2HB ALA 68 115.823 -0.178 -0.178 501 3HB ALA 68 1HB ALA 68 115.527 1.307 1.307 502 H GLU 69 H GLU 69 117.639 0.811 0.811 503 HA GLU 69 HA GLU 69 119.993 -1.039 -1.039 504 1HB GLU 69 2HB GLU 69 119.498 1.802 1.802 505 2HB GLU 69 1HB GLU 69 120.420 0.932 0.932 506 1HG GLU 69 2HG GLU 69 122.213 0.582 0.582 507 2HG GLU 69 1HG GLU 69 121.208 0.473 0.473 508 HA PRO 70 HA PRO 70 116.813 -2.087 -2.087 509 1HB PRO 70 2HB PRO 70 116.675 -4.762 -4.762 510 2HB PRO 70 1HB PRO 70 115.618 -3.544 -3.544 511 1HG PRO 70 2HG PRO 70 118.094 -4.807 -4.807 512 2HG PRO 70 1HG PRO 70 116.562 -4.443 -4.443 513 1HD PRO 70 2HD PRO 70 118.745 -2.878 -2.878 514 2HD PRO 70 1HD PRO 70 117.090 -2.223 -2.223 515 H ASN 71 H ASN 71 119.965 -3.053 -3.053 516 HA ASN 71 HA ASN 71 120.473 -4.428 -4.428 517 1HB ASN 71 2HB ASN 71 120.978 -5.450 -5.450 518 2HB ASN 71 1HB ASN 71 122.305 -4.288 -4.288 519 1HD2 ASN 71 1HD2 ASN 71 123.660 -4.311 -4.311 520 2HD2 ASN 71 2HD2 ASN 71 124.038 -5.865 -5.865 521 H CYS 72 H CYS 72 122.160 -2.213 -2.213 522 HA CYS 72 HA CYS 72 124.168 -1.241 -1.241 523 1HB CYS 72 2HB CYS 72 122.705 -0.445 -0.445 524 2HB CYS 72 1HB CYS 72 123.201 0.967 0.967 525 HG CYS 72 HG CYS 72 125.299 -1.209 -1.209 526 H ALA 73 H ALA 73 124.328 0.524 0.524 527 HA ALA 73 HA ALA 73 121.756 1.724 1.724 528 1HB ALA 73 2HB ALA 73 122.765 -0.350 -0.350 529 2HB ALA 73 1HB ALA 73 123.922 0.823 0.823 530 3HB ALA 73 3HB ALA 73 122.198 1.032 1.032 531 H ASP 74 H ASP 74 123.551 2.821 2.821 532 HA ASP 74 HA ASP 74 124.824 4.993 4.993 533 1HB ASP 74 2HB ASP 74 122.737 5.160 5.160 534 2HB ASP 74 1HB ASP 74 124.065 5.388 5.388 535 HA PRO 75 HA PRO 75 128.533 3.428 3.428 536 1HB PRO 75 2HB PRO 75 130.225 5.399 5.399 537 2HB PRO 75 1HB PRO 75 129.698 4.046 4.046 538 1HG PRO 75 2HG PRO 75 128.663 6.843 6.843 539 2HG PRO 75 1HG PRO 75 128.986 5.821 5.821 540 1HD PRO 75 2HD PRO 75 126.490 6.189 6.189 541 2HD PRO 75 1HD PRO 75 127.007 4.655 4.655 542 H ALA 76 H ALA 76 126.840 6.326 6.326 543 HA ALA 76 HA ALA 76 128.663 7.203 7.203 544 1HB ALA 76 1HB ALA 76 127.783 8.821 8.821 545 2HB ALA 76 3HB ALA 76 126.136 8.380 8.380 546 3HB ALA 76 2HB ALA 76 127.187 9.184 9.184 547 H THR 77 H THR 77 125.229 6.309 6.309 548 HA THR 77 HA THR 77 125.066 5.756 5.756 549 HB THR 77 HB THR 77 122.478 5.977 5.977 550 HG1 THR 77 HG1 THR 77 122.923 6.733 6.733 551 1HG2 THR 77 2HG2 THR 77 123.436 7.012 7.012 552 2HG2 THR 77 1HG2 THR 77 124.306 8.166 8.166 553 3HG2 THR 77 3HG2 THR 77 122.545 8.203 8.203 554 H LEU 78 H LEU 78 125.336 4.245 4.245 555 HA LEU 78 HA LEU 78 124.779 2.101 2.101 556 1HB LEU 78 2HB LEU 78 125.704 2.075 2.075 557 2HB LEU 78 1HB LEU 78 124.519 0.786 0.786 558 HG LEU 78 HG LEU 78 127.058 1.220 1.220 559 1HD1 LEU 78 1HD1 LEU 78 126.169 -0.532 -0.532 560 2HD1 LEU 78 3HD1 LEU 78 126.906 -1.406 -1.406 561 3HD1 LEU 78 2HD1 LEU 78 127.803 -0.127 -0.127 562 1HD2 LEU 78 3HD2 LEU 78 124.577 0.123 0.123 563 2HD2 LEU 78 2HD2 LEU 78 126.132 0.139 0.139 564 3HD2 LEU 78 1HD2 LEU 78 125.706 -1.212 -1.212 565 H THR 79 H THR 79 122.480 3.942 3.942 566 HA THR 79 HA THR 79 120.393 2.365 2.365 567 HB THR 79 HB THR 79 120.184 4.593 4.593 568 HG1 THR 79 HG1 THR 79 120.858 4.585 4.585 569 1HG2 THR 79 1HG2 THR 79 118.078 3.390 3.390 570 2HG2 THR 79 3HG2 THR 79 118.380 3.872 3.872 571 3HG2 THR 79 2HG2 THR 79 118.081 5.099 5.099 572 H ARG 80 H ARG 80 120.379 0.296 0.296 573 HA ARG 80 HA ARG 80 120.414 -0.167 -0.167 574 1HB ARG 80 2HB ARG 80 120.689 -1.667 -1.667 575 2HB ARG 80 1HB ARG 80 118.975 -1.954 -1.954 576 1HG ARG 80 2HG ARG 80 120.282 -3.683 -3.683 577 2HG ARG 80 1HG ARG 80 119.475 -2.670 -2.670 578 1HD ARG 80 2HD ARG 80 121.457 -1.998 -1.998 579 2HD ARG 80 1HD ARG 80 122.105 -1.610 -1.610 580 HE ARG 80 HE ARG 80 121.983 -4.440 -4.440 581 1HH1 ARG 80 1HH2 ARG 80 123.283 -2.153 -2.153 582 2HH1 ARG 80 2HH2 ARG 80 124.857 -2.874 -2.874 583 1HH2 ARG 80 2HH1 ARG 80 124.183 -5.198 -5.198 584 2HH2 ARG 80 1HH1 ARG 80 125.360 -4.588 -4.588 585 HA PRO 81 HA PRO 81 116.289 1.079 1.079 586 1HB PRO 81 2HB PRO 81 115.895 -0.441 -0.441 587 2HB PRO 81 1HB PRO 81 116.881 1.036 1.036 588 1HG PRO 81 2HG PRO 81 117.749 -1.816 -1.816 589 2HG PRO 81 1HG PRO 81 118.451 -0.462 -0.462 590 1HD PRO 81 2HD PRO 81 119.513 -1.350 -1.350 591 2HD PRO 81 1HD PRO 81 119.573 0.363 0.363 592 H VAL 82 H VAL 82 117.242 -2.049 -2.049 593 HA VAL 82 HA VAL 82 114.739 -3.476 -3.476 594 HB VAL 82 HB VAL 82 117.278 -3.743 -3.743 595 1HG1 VAL 82 1HG1 VAL 82 114.832 -5.507 -5.507 596 2HG1 VAL 82 3HG1 VAL 82 116.428 -6.142 -6.142 597 3HG1 VAL 82 2HG1 VAL 82 115.710 -4.877 -4.877 598 1HG2 VAL 82 1HG2 VAL 82 116.438 -4.469 -4.469 599 2HG2 VAL 82 3HG2 VAL 82 118.032 -4.625 -4.625 600 3HG2 VAL 82 2HG2 VAL 82 116.848 -5.918 -5.918 601 H HIS 83 H HIS 83 116.058 -1.187 -1.187 602 HA HIS 83 HA HIS 83 114.293 -1.851 -1.851 603 1HB HIS 83 2HB HIS 83 115.782 0.707 0.707 604 2HB HIS 83 1HB HIS 83 115.106 0.314 0.314 605 HD2 HIS 83 HD2 HIS 83 117.218 -0.528 -0.528 606 HE1 HIS 83 HE1 HIS 83 119.257 -2.819 -2.819 607 HE2 HIS 83 HE2 HIS 83 119.217 -2.092 -2.092 608 H ASP 84 H ASP 84 114.279 0.539 0.539 609 HA ASP 84 HA ASP 84 112.079 2.126 2.126 610 1HB ASP 84 2HB ASP 84 113.082 0.913 0.913 611 2HB ASP 84 1HB ASP 84 111.842 2.159 2.159 612 H ALA 85 H ALA 85 112.038 -1.112 -1.112 613 HA ALA 85 HA ALA 85 109.181 -1.261 -1.261 614 1HB ALA 85 3HB ALA 85 111.328 -2.677 -2.677 615 2HB ALA 85 2HB ALA 85 110.833 -3.687 -3.687 616 3HB ALA 85 1HB ALA 85 109.711 -3.377 -3.377 617 H ALA 86 H ALA 86 111.185 -3.075 -3.075 618 HA ALA 86 HA ALA 86 109.060 -3.844 -3.844 619 1HB ALA 86 3HB ALA 86 111.701 -4.357 -4.357 620 2HB ALA 86 2HB ALA 86 111.730 -3.314 -3.314 621 3HB ALA 86 1HB ALA 86 110.773 -4.795 -4.795 622 H ARG 87 H ARG 87 111.318 -1.077 -1.077 623 HA ARG 87 HA ARG 87 110.371 -0.028 -0.028 624 1HB ARG 87 2HB ARG 87 112.309 0.722 0.722 625 2HB ARG 87 1HB ARG 87 111.129 1.568 1.568 626 1HG ARG 87 2HG ARG 87 110.804 2.131 2.131 627 2HG ARG 87 1HG ARG 87 112.380 2.620 2.620 628 1HD ARG 87 2HD ARG 87 109.679 3.436 3.436 629 2HD ARG 87 1HD ARG 87 110.821 4.484 4.484 630 HE ARG 87 HE ARG 87 111.193 3.416 3.416 631 1HH1 ARG 87 1HH2 ARG 87 111.632 6.173 6.173 632 2HH1 ARG 87 2HH2 ARG 87 113.322 6.375 6.375 633 1HH2 ARG 87 2HH1 ARG 87 113.737 3.170 3.170 634 2HH2 ARG 87 1HH1 ARG 87 114.508 4.685 4.685 635 H GLU 88 H GLU 88 109.000 0.279 0.279 636 HA GLU 88 HA GLU 88 106.861 2.073 2.073 637 1HB GLU 88 2HB GLU 88 108.137 2.086 2.086 638 2HB GLU 88 1HB GLU 88 107.088 0.736 0.736 639 1HG GLU 88 2HG GLU 88 105.903 2.629 2.629 640 2HG GLU 88 1HG GLU 88 105.141 2.264 2.264 641 H GLY 89 H GLY 89 107.379 -1.155 -1.155 642 1HA GLY 89 2HA GLY 89 105.952 -2.921 -2.921 643 2HA GLY 89 1HA GLY 89 104.615 -1.771 -1.771 644 H PHE 90 H PHE 90 106.708 -2.166 -2.166 645 HA PHE 90 HA PHE 90 104.360 -3.263 -3.263 646 1HB PHE 90 2HB PHE 90 105.937 -1.068 -1.068 647 2HB PHE 90 1HB PHE 90 106.735 -2.272 -2.272 648 HD1 PHE 90 HD1 PHE 90 105.450 -3.469 -3.469 649 HD2 PHE 90 HD2 PHE 90 103.746 -0.235 -0.235 650 HE1 PHE 90 HE1 PHE 90 103.641 -3.259 -3.259 651 HE2 PHE 90 HE2 PHE 90 101.941 -0.017 -0.017 652 HZ PHE 90 HZ PHE 90 101.893 -1.525 -1.525 653 H LEU 91 H LEU 91 104.482 -5.408 -5.408 654 HA LEU 91 HA LEU 91 107.101 -6.793 -6.793 655 1HB LEU 91 2HB LEU 91 104.573 -7.361 -7.361 656 2HB LEU 91 1HB LEU 91 104.620 -8.275 -8.275 657 HG LEU 91 HG LEU 91 106.951 -8.421 -8.421 658 1HD1 LEU 91 1HD1 LEU 91 104.251 -9.691 -9.691 659 2HD1 LEU 91 3HD1 LEU 91 105.699 -10.549 -10.549 660 3HD1 LEU 91 2HD1 LEU 91 105.303 -8.975 -8.975 661 1HD2 LEU 91 1HD2 LEU 91 106.779 -9.409 -9.409 662 2HD2 LEU 91 3HD2 LEU 91 107.370 -10.464 -10.464 663 3HD2 LEU 91 2HD2 LEU 91 105.701 -10.602 -10.602 664 H ASP 92 H ASP 92 104.399 -6.243 -6.243 665 HA ASP 92 HA ASP 92 105.216 -7.809 -7.809 666 1HB ASP 92 2HB ASP 92 103.700 -5.273 -5.273 667 2HB ASP 92 1HB ASP 92 104.138 -5.699 -5.699 668 H THR 93 H THR 93 106.611 -4.833 -4.833 669 HA THR 93 HA THR 93 108.126 -4.180 -4.180 670 HB THR 93 HB THR 93 108.172 -3.379 -3.379 671 HG1 THR 93 HG1 THR 93 107.064 -2.455 -2.455 672 1HG2 THR 93 2HG2 THR 93 109.959 -2.365 -2.365 673 2HG2 THR 93 1HG2 THR 93 109.804 -1.608 -1.608 674 3HG2 THR 93 3HG2 THR 93 110.482 -3.231 -3.231 675 H LEU 94 H LEU 94 108.879 -5.736 -5.736 676 HA LEU 94 HA LEU 94 111.635 -6.253 -6.253 677 1HB LEU 94 2HB LEU 94 109.405 -7.475 -7.475 678 2HB LEU 94 1HB LEU 94 110.987 -8.255 -8.255 679 HG LEU 94 HG LEU 94 111.437 -5.469 -5.469 680 1HD1 LEU 94 3HD1 LEU 94 109.105 -6.560 -6.560 681 2HD1 LEU 94 2HD1 LEU 94 110.203 -5.445 -5.445 682 3HD1 LEU 94 1HD1 LEU 94 109.364 -4.945 -4.945 683 1HD2 LEU 94 3HD2 LEU 94 111.830 -8.006 -8.006 684 2HD2 LEU 94 2HD2 LEU 94 113.010 -6.786 -6.786 685 3HD2 LEU 94 1HD2 LEU 94 111.968 -6.506 -6.506 686 H VAL 95 H VAL 95 108.876 -8.496 -8.496 687 HA VAL 95 HA VAL 95 110.220 -10.661 -10.661 688 HB VAL 95 HB VAL 95 107.578 -9.330 -9.330 689 1HG1 VAL 95 1HG1 VAL 95 108.863 -11.754 -11.754 690 2HG1 VAL 95 3HG1 VAL 95 107.120 -11.763 -11.763 691 3HG1 VAL 95 2HG1 VAL 95 107.844 -10.531 -10.531 692 1HG2 VAL 95 2HG2 VAL 95 108.372 -10.695 -10.695 693 2HG2 VAL 95 1HG2 VAL 95 106.709 -10.677 -10.677 694 3HG2 VAL 95 3HG2 VAL 95 107.774 -12.025 -12.025 695 H VAL 96 H VAL 96 108.978 -7.786 -7.786 696 HA VAL 96 HA VAL 96 109.848 -8.356 -8.356 697 HB VAL 96 HB VAL 96 109.812 -5.723 -5.723 698 1HG1 VAL 96 2HG1 VAL 96 110.469 -6.433 -6.433 699 2HG1 VAL 96 1HG1 VAL 96 109.129 -5.294 -5.294 700 3HG1 VAL 96 3HG1 VAL 96 110.673 -4.892 -4.892 701 1HG2 VAL 96 2HG2 VAL 96 107.719 -7.405 -7.405 702 2HG2 VAL 96 1HG2 VAL 96 107.540 -5.651 -5.651 703 3HG2 VAL 96 3HG2 VAL 96 107.658 -6.554 -6.554 704 H LEU 97 H LEU 97 111.702 -6.466 -6.466 705 HA LEU 97 HA LEU 97 114.114 -6.148 -6.148 706 1HB LEU 97 2HB LEU 97 113.278 -6.444 -6.444 707 2HB LEU 97 1HB LEU 97 115.003 -6.545 -6.545 708 HG LEU 97 HG LEU 97 114.764 -4.378 -4.378 709 1HD1 LEU 97 3HD1 LEU 97 112.295 -4.553 -4.553 710 2HD1 LEU 97 2HD1 LEU 97 112.103 -4.283 -4.283 711 3HD1 LEU 97 1HD1 LEU 97 112.788 -3.018 -3.018 712 1HD2 LEU 97 1HD2 LEU 97 114.203 -4.521 -4.521 713 2HD2 LEU 97 3HD2 LEU 97 115.750 -4.240 -4.240 714 3HD2 LEU 97 2HD2 LEU 97 114.502 -2.991 -2.991 715 H HIS 98 H HIS 98 113.261 -8.849 -8.849 716 HA HIS 98 HA HIS 98 115.559 -10.459 -10.459 717 1HB HIS 98 2HB HIS 98 113.614 -10.524 -10.524 718 2HB HIS 98 1HB HIS 98 112.821 -11.557 -11.557 719 HD1 HIS 98 HD1 HIS 98 113.181 -13.403 -13.403 720 HD2 HIS 98 HD2 HIS 98 116.603 -12.152 -12.152 721 HE1 HIS 98 HE1 HIS 98 114.970 -15.126 -15.126 722 H ARG 99 H ARG 99 112.490 -10.082 -10.082 723 HA ARG 99 HA ARG 99 112.749 -12.404 -12.404 724 1HB ARG 99 2HB ARG 99 111.135 -9.868 -9.868 725 2HB ARG 99 1HB ARG 99 111.053 -10.926 -10.926 726 1HG ARG 99 2HG ARG 99 110.572 -12.839 -12.839 727 2HG ARG 99 1HG ARG 99 110.357 -11.612 -11.612 728 1HD ARG 99 2HD ARG 99 108.160 -11.878 -11.878 729 2HD ARG 99 1HD ARG 99 108.734 -10.515 -10.515 730 HE ARG 99 HE ARG 99 109.088 -12.046 -12.046 731 1HH1 ARG 99 2HH1 ARG 99 109.854 -14.543 -14.543 732 2HH1 ARG 99 1HH1 ARG 99 108.425 -15.513 -15.513 733 1HH2 ARG 99 1HH2 ARG 99 106.343 -12.832 -12.832 734 2HH2 ARG 99 2HH2 ARG 99 106.438 -14.544 -14.544 735 H ALA 100 H ALA 100 114.388 -9.400 -9.400 736 HA ALA 100 HA ALA 100 115.419 -9.993 -9.993 737 1HB ALA 100 3HB ALA 100 113.502 -8.217 -8.217 738 2HB ALA 100 2HB ALA 100 114.818 -7.184 -7.184 739 3HB ALA 100 1HB ALA 100 114.859 -7.867 -7.867 740 H GLY 101 H GLY 101 117.084 -10.785 -10.785 741 1HA GLY 101 2HA GLY 101 119.115 -10.480 -10.480 742 2HA GLY 101 1HA GLY 101 119.446 -9.364 -9.364 743 H ALA 102 H ALA 102 118.619 -9.639 -9.639 744 HA ALA 102 HA ALA 102 119.305 -6.816 -6.816 745 1HB ALA 102 1HB ALA 102 116.806 -7.102 -7.102 746 2HB ALA 102 3HB ALA 102 116.593 -7.729 -7.729 747 3HB ALA 102 2HB ALA 102 117.181 -6.085 -6.085 748 H ARG 103 H ARG 103 120.774 -7.211 -7.211 749 HA ARG 103 HA ARG 103 120.642 -9.353 -9.353 750 1HB ARG 103 2HB ARG 103 122.631 -7.950 -7.950 751 2HB ARG 103 1HB ARG 103 122.040 -6.687 -6.687 752 1HG ARG 103 2HG ARG 103 122.000 -8.590 -8.590 753 2HG ARG 103 1HG ARG 103 123.102 -9.414 -9.414 754 1HD ARG 103 2HD ARG 103 124.356 -7.066 -7.066 755 2HD ARG 103 1HD ARG 103 123.524 -6.902 -6.902 756 HE ARG 103 HE ARG 103 125.077 -8.459 -8.459 757 1HH1 ARG 103 2HH1 ARG 103 126.776 -8.363 -8.363 758 2HH1 ARG 103 1HH1 ARG 103 126.788 -10.025 -10.025 759 1HH2 ARG 103 1HH2 ARG 103 124.070 -10.893 -10.893 760 2HH2 ARG 103 2HH2 ARG 103 125.256 -11.462 -11.462 761 H LEU 104 H LEU 104 119.421 -9.510 -9.510 762 HA LEU 104 HA LEU 104 118.188 -6.993 -6.993 763 1HB LEU 104 2HB LEU 104 117.106 -9.809 -9.809 764 2HB LEU 104 1HB LEU 104 116.242 -8.289 -8.289 765 HG LEU 104 HG LEU 104 117.296 -8.162 -8.162 766 1HD1 LEU 104 3HD1 LEU 104 117.591 -10.654 -10.654 767 2HD1 LEU 104 2HD1 LEU 104 115.853 -10.787 -10.787 768 3HD1 LEU 104 1HD1 LEU 104 116.463 -10.186 -10.186 769 1HD2 LEU 104 2HD2 LEU 104 114.510 -8.782 -8.782 770 2HD2 LEU 104 1HD2 LEU 104 115.182 -7.177 -7.177 771 3HD2 LEU 104 3HD2 LEU 104 114.881 -8.259 -8.259 772 H ASP 105 H ASP 105 120.757 -8.634 -8.634 773 HA ASP 105 HA ASP 105 120.133 -8.895 -8.895 774 1HB ASP 105 2HB ASP 105 120.573 -11.023 -11.023 775 2HB ASP 105 1HB ASP 105 122.223 -10.438 -10.438 776 H VAL 106 H VAL 106 120.857 -6.422 -6.422 777 HA VAL 106 HA VAL 106 123.811 -6.275 -6.275 778 HB VAL 106 HB VAL 106 122.739 -5.416 -5.416 779 1HG1 VAL 106 3HG1 VAL 106 121.754 -3.297 -3.297 780 2HG1 VAL 106 2HG1 VAL 106 121.731 -3.167 -3.167 781 3HG1 VAL 106 1HG1 VAL 106 120.750 -4.392 -4.392 782 1HG2 VAL 106 2HG2 VAL 106 124.933 -4.610 -4.610 783 2HG2 VAL 106 1HG2 VAL 106 124.426 -3.885 -3.885 784 3HG2 VAL 106 3HG2 VAL 106 124.026 -3.098 -3.098 785 H ARG 107 H ARG 107 124.161 -3.848 -3.848 786 HA ARG 107 HA ARG 107 122.203 -3.376 -3.376 787 1HB ARG 107 2HB ARG 107 124.207 -3.179 -3.179 788 2HB ARG 107 1HB ARG 107 123.947 -4.808 -4.808 789 1HG ARG 107 2HG ARG 107 126.063 -4.766 -4.766 790 2HG ARG 107 1HG ARG 107 125.555 -3.528 -3.528 791 1HD ARG 107 2HD ARG 107 126.077 -1.765 -1.765 792 2HD ARG 107 1HD ARG 107 126.579 -3.002 -3.002 793 HE ARG 107 HE ARG 107 127.935 -2.506 -2.506 794 1HH1 ARG 107 2HH1 ARG 107 128.784 -2.133 -2.133 795 2HH1 ARG 107 1HH1 ARG 107 129.997 -3.365 -3.365 796 1HH2 ARG 107 1HH2 ARG 107 129.074 -4.838 -4.838 797 2HH2 ARG 107 2HH2 ARG 107 130.164 -4.897 -4.897 798 H ASP 108 H ASP 108 121.736 -1.227 -1.227 799 HA ASP 108 HA ASP 108 122.717 0.779 0.779 800 1HB ASP 108 2HB ASP 108 121.631 0.906 0.906 801 2HB ASP 108 1HB ASP 108 121.754 2.295 2.295 802 H ALA 109 H ALA 109 124.321 2.428 2.428 803 HA ALA 109 HA ALA 109 126.846 1.791 1.791 804 1HB ALA 109 2HB ALA 109 126.192 3.775 3.775 805 2HB ALA 109 1HB ALA 109 125.489 4.502 4.502 806 3HB ALA 109 3HB ALA 109 127.227 4.222 4.222 807 H TRP 110 H TRP 110 124.187 3.122 3.122 808 HA TRP 110 HA TRP 110 125.650 3.715 3.715 809 1HB TRP 110 2HB TRP 110 122.815 2.793 2.793 810 2HB TRP 110 1HB TRP 110 123.356 3.277 3.277 811 HD1 TRP 110 HD1 TRP 110 124.345 5.848 5.848 812 HE1 TRP 110 HE1 TRP 110 123.586 7.971 7.971 813 HE3 TRP 110 HE3 TRP 110 121.848 3.722 3.722 814 HZ2 TRP 110 HZ2 TRP 110 122.108 8.668 8.668 815 HZ3 TRP 110 HZ3 TRP 110 120.776 5.126 5.126 816 HH2 TRP 110 HH2 TRP 110 120.906 7.593 7.593 817 H GLY 111 H GLY 111 123.406 0.970 0.970 818 1HA GLY 111 2HA GLY 111 125.149 -1.177 -1.177 819 2HA GLY 111 1HA GLY 111 124.932 -0.553 -0.553 820 H ARG 112 H ARG 112 122.378 -0.359 -0.359 821 HA ARG 112 HA ARG 112 120.763 -2.215 -2.215 822 1HB ARG 112 2HB ARG 112 120.297 0.336 0.336 823 2HB ARG 112 1HB ARG 112 119.627 -0.385 -0.385 824 1HG ARG 112 2HG ARG 112 117.749 -0.886 -0.886 825 2HG ARG 112 1HG ARG 112 118.683 -1.928 -1.928 826 1HD ARG 112 2HD ARG 112 118.323 -0.478 -0.478 827 2HD ARG 112 1HD ARG 112 119.155 0.795 0.795 828 HE ARG 112 HE ARG 112 116.554 0.461 0.461 829 1HH1 ARG 112 2HH1 ARG 112 117.857 3.045 3.045 830 2HH1 ARG 112 1HH1 ARG 112 116.737 3.514 3.514 831 1HH2 ARG 112 1HH2 ARG 112 115.239 0.393 0.393 832 2HH2 ARG 112 2HH2 ARG 112 115.263 2.014 2.014 833 H LEU 113 H LEU 113 118.740 -2.803 -2.803 834 HA LEU 113 HA LEU 113 119.965 -4.009 -4.009 835 1HB LEU 113 2HB LEU 113 119.444 -5.358 -5.358 836 2HB LEU 113 1HB LEU 113 118.268 -5.933 -5.933 837 HG LEU 113 HG LEU 113 120.596 -5.891 -5.891 838 1HD1 LEU 113 3HD1 LEU 113 121.276 -6.051 -6.051 839 2HD1 LEU 113 2HD1 LEU 113 121.863 -7.442 -7.442 840 3HD1 LEU 113 1HD1 LEU 113 122.327 -5.811 -5.811 841 1HD2 LEU 113 2HD2 LEU 113 118.672 -7.692 -7.692 842 2HD2 LEU 113 1HD2 LEU 113 120.139 -8.127 -8.127 843 3HD2 LEU 113 3HD2 LEU 113 120.037 -8.389 -8.389 844 HA PRO 114 HA PRO 114 116.019 -3.020 -3.020 845 1HB PRO 114 2HB PRO 114 115.601 -5.127 -5.127 846 2HB PRO 114 1HB PRO 114 116.753 -3.823 -3.823 847 1HG PRO 114 2HG PRO 114 117.257 -6.554 -6.554 848 2HG PRO 114 1HG PRO 114 118.177 -5.642 -5.642 849 1HD PRO 114 2HD PRO 114 118.983 -5.827 -5.827 850 2HD PRO 114 1HD PRO 114 119.261 -4.365 -4.365 851 H VAL 115 H VAL 115 116.432 -6.326 -6.326 852 HA VAL 115 HA VAL 115 113.562 -6.833 -6.833 853 HB VAL 115 HB VAL 115 115.491 -8.498 -8.498 854 1HG1 VAL 115 1HG1 VAL 115 116.911 -7.558 -7.558 855 2HG1 VAL 115 3HG1 VAL 115 115.717 -8.104 -8.104 856 3HG1 VAL 115 2HG1 VAL 115 116.601 -9.279 -9.279 857 1HG2 VAL 115 2HG2 VAL 115 113.124 -9.073 -9.073 858 2HG2 VAL 115 1HG2 VAL 115 114.319 -10.227 -10.227 859 3HG2 VAL 115 3HG2 VAL 115 113.619 -9.039 -9.039 860 H ASP 116 H ASP 116 116.152 -5.805 -5.805 861 HA ASP 116 HA ASP 116 114.634 -5.923 -5.923 862 1HB ASP 116 2HB ASP 116 117.210 -5.054 -5.054 863 2HB ASP 116 1HB ASP 116 116.550 -3.824 -3.824 864 H LEU 117 H LEU 117 115.203 -3.277 -3.277 865 HA LEU 117 HA LEU 117 113.913 -1.153 -1.153 866 1HB LEU 117 2HB LEU 117 114.673 -1.950 -1.950 867 2HB LEU 117 1HB LEU 117 113.227 -0.940 -0.940 868 HG LEU 117 HG LEU 117 115.775 -0.238 -0.238 869 1HD1 LEU 117 1HD1 LEU 117 115.447 -0.281 -0.281 870 2HD1 LEU 117 3HD1 LEU 117 115.021 1.380 1.380 871 3HD1 LEU 117 2HD1 LEU 117 116.597 0.734 0.734 872 1HD2 LEU 117 1HD2 LEU 117 113.138 1.130 1.130 873 2HD2 LEU 117 3HD2 LEU 117 113.994 0.942 0.942 874 3HD2 LEU 117 2HD2 LEU 117 114.590 2.078 2.078 875 H ALA 118 H ALA 118 112.494 -3.771 -3.771 876 HA ALA 118 HA ALA 118 109.782 -2.797 -2.797 877 1HB ALA 118 3HB ALA 118 110.899 -4.493 -4.493 878 2HB ALA 118 2HB ALA 118 110.786 -5.644 -5.644 879 3HB ALA 118 1HB ALA 118 109.319 -4.976 -4.976 880 H GLU 119 H GLU 119 111.697 -4.879 -4.879 881 HA GLU 119 HA GLU 119 109.503 -5.814 -5.814 882 1HB GLU 119 2HB GLU 119 112.416 -5.420 -5.420 883 2HB GLU 119 1HB GLU 119 111.278 -6.567 -6.567 884 1HG GLU 119 2HG GLU 119 111.368 -6.923 -6.923 885 2HG GLU 119 1HG GLU 119 112.992 -7.014 -7.014 886 H GLU 120 H GLU 120 111.219 -2.803 -2.803 887 HA GLU 120 HA GLU 120 110.467 -1.929 -1.929 888 1HB GLU 120 2HB GLU 120 112.590 -1.344 -1.344 889 2HB GLU 120 1HB GLU 120 111.575 -0.318 -0.318 890 1HG GLU 120 2HG GLU 120 110.796 0.854 0.854 891 2HG GLU 120 1HG GLU 120 111.995 -0.071 -0.071 892 H LEU 121 H LEU 121 109.794 -0.739 -0.739 893 HA LEU 121 HA LEU 121 107.694 1.057 1.057 894 1HB LEU 121 2HB LEU 121 108.681 -0.478 -0.478 895 2HB LEU 121 1HB LEU 121 107.061 0.203 0.203 896 HG LEU 121 HG LEU 121 108.075 2.412 2.412 897 1HD1 LEU 121 3HD1 LEU 121 110.468 0.668 0.668 898 2HD1 LEU 121 2HD1 LEU 121 110.662 2.236 2.236 899 3HD1 LEU 121 1HD1 LEU 121 110.185 2.153 2.153 900 1HD2 LEU 121 1HD2 LEU 121 108.789 1.061 1.061 901 2HD2 LEU 121 3HD2 LEU 121 107.491 2.210 2.210 902 3HD2 LEU 121 2HD2 LEU 121 109.166 2.760 2.760 903 H GLY 122 H GLY 122 106.934 -1.861 -1.861 904 1HA GLY 122 2HA GLY 122 105.403 -3.340 -3.340 905 2HA GLY 122 1HA GLY 122 104.313 -2.073 -2.073 906 H HIS 123 H HIS 123 106.891 -3.709 -3.709 907 HA HIS 123 HA HIS 123 104.778 -4.674 -4.674 908 1HB HIS 123 2HB HIS 123 107.698 -4.222 -4.222 909 2HB HIS 123 1HB HIS 123 106.338 -4.243 -4.243 910 HD1 HIS 123 HD1 HIS 123 104.433 -2.249 -2.249 911 HD2 HIS 123 HD2 HIS 123 108.486 -1.631 -1.631 912 HE1 HIS 123 HE1 HIS 123 104.730 0.244 0.244 913 H ARG 124 H ARG 124 105.460 -6.236 -6.236 914 HA ARG 124 HA ARG 124 107.515 -8.104 -8.104 915 1HB ARG 124 2HB ARG 124 105.406 -7.780 -7.780 916 2HB ARG 124 1HB ARG 124 104.685 -8.994 -8.994 917 1HG ARG 124 2HG ARG 124 106.896 -10.320 -10.320 918 2HG ARG 124 1HG ARG 124 107.058 -9.259 -9.259 919 1HD ARG 124 2HD ARG 124 104.390 -10.528 -10.528 920 2HD ARG 124 1HD ARG 124 105.710 -11.583 -11.583 921 HE ARG 124 HE ARG 124 104.858 -9.096 -9.096 922 1HH1 ARG 124 2HH1 ARG 124 107.692 -9.973 -9.973 923 2HH1 ARG 124 1HH1 ARG 124 107.525 -10.984 -10.984 924 1HH2 ARG 124 1HH2 ARG 124 104.092 -11.337 -11.337 925 2HH2 ARG 124 2HH2 ARG 124 105.487 -11.761 -11.761 926 H ASP 125 H ASP 125 104.535 -8.037 -8.037 927 HA ASP 125 HA ASP 125 104.807 -10.576 -10.576 928 1HB ASP 125 2HB ASP 125 103.645 -7.994 -7.994 929 2HB ASP 125 1HB ASP 125 103.186 -9.637 -9.637 930 H VAL 126 H VAL 126 106.095 -7.354 -7.354 931 HA VAL 126 HA VAL 126 107.352 -8.231 -8.231 932 HB VAL 126 HB VAL 126 108.019 -5.692 -5.692 933 1HG1 VAL 126 3HG1 VAL 126 107.890 -6.653 -6.653 934 2HG1 VAL 126 2HG1 VAL 126 107.763 -4.928 -4.928 935 3HG1 VAL 126 1HG1 VAL 126 109.200 -5.825 -5.825 936 1HG2 VAL 126 3HG2 VAL 126 105.455 -6.347 -6.347 937 2HG2 VAL 126 2HG2 VAL 126 105.598 -5.775 -5.775 938 3HG2 VAL 126 1HG2 VAL 126 105.991 -4.701 -4.701 939 H ALA 127 H ALA 127 108.292 -7.641 -7.641 940 HA ALA 127 HA ALA 127 111.141 -7.964 -7.964 941 1HB ALA 127 2HB ALA 127 109.420 -7.173 -7.173 942 2HB ALA 127 1HB ALA 127 109.886 -8.775 -8.775 943 3HB ALA 127 3HB ALA 127 111.121 -7.552 -7.552 944 H ARG 128 H ARG 128 108.453 -10.193 -10.193 945 HA ARG 128 HA ARG 128 109.914 -12.525 -12.525 946 1HB ARG 128 2HB ARG 128 107.470 -12.256 -12.256 947 2HB ARG 128 1HB ARG 128 107.378 -12.192 -12.192 948 1HG ARG 128 2HG ARG 128 108.067 -14.455 -14.455 949 2HG ARG 128 1HG ARG 128 108.609 -14.536 -14.536 950 1HD ARG 128 2HD ARG 128 106.383 -15.674 -15.674 951 2HD ARG 128 1HD ARG 128 106.310 -14.384 -14.384 952 HE ARG 128 HE ARG 128 105.382 -12.894 -12.894 953 1HH1 ARG 128 1HH2 ARG 128 104.315 -16.000 -16.000 954 2HH1 ARG 128 2HH2 ARG 128 103.757 -16.073 -16.073 955 1HH2 ARG 128 2HH1 ARG 128 105.228 -13.067 -13.067 956 2HH2 ARG 128 1HH1 ARG 128 104.263 -14.407 -14.407 957 H TYR 129 H TYR 129 108.525 -11.893 -11.893 958 HA TYR 129 HA TYR 129 109.995 -13.825 -13.825 959 1HB TYR 129 2HB TYR 129 108.180 -12.689 -12.689 960 2HB TYR 129 1HB TYR 129 108.859 -11.102 -11.102 961 HD1 TYR 129 HD1 TYR 129 110.423 -14.179 -14.179 962 HD2 TYR 129 HD2 TYR 129 109.344 -10.064 -10.064 963 HE1 TYR 129 HE1 TYR 129 111.621 -14.175 -14.175 964 HE2 TYR 129 HE2 TYR 129 110.536 -10.060 -10.060 965 HH TYR 129 HH TYR 129 111.598 -11.319 -11.319 966 H LEU 130 H LEU 130 111.001 -10.727 -10.727 967 HA LEU 130 HA LEU 130 113.406 -10.430 -10.430 968 1HB LEU 130 2HB LEU 130 112.069 -9.184 -9.184 969 2HB LEU 130 1HB LEU 130 113.815 -8.957 -8.957 970 HG LEU 130 HG LEU 130 111.886 -8.393 -8.393 971 1HD1 LEU 130 1HD1 LEU 130 113.138 -6.625 -6.625 972 2HD1 LEU 130 3HD1 LEU 130 112.551 -5.983 -5.983 973 3HD1 LEU 130 2HD1 LEU 130 111.433 -6.774 -6.774 974 1HD2 LEU 130 2HD2 LEU 130 114.849 -8.274 -8.274 975 2HD2 LEU 130 1HD2 LEU 130 113.914 -8.670 -8.670 976 3HD2 LEU 130 3HD2 LEU 130 114.099 -6.988 -6.988 977 H ARG 131 H ARG 131 112.981 -11.230 -11.230 978 HA ARG 131 HA ARG 131 115.591 -11.913 -11.913 979 1HB ARG 131 2HB ARG 131 113.218 -11.977 -11.977 980 2HB ARG 131 1HB ARG 131 113.362 -13.703 -13.703 981 1HG ARG 131 2HG ARG 131 114.617 -13.815 -13.815 982 2HG ARG 131 1HG ARG 131 115.884 -13.025 -13.025 983 1HD ARG 131 2HD ARG 131 115.318 -10.869 -10.869 984 2HD ARG 131 1HD ARG 131 113.747 -11.434 -11.434 985 HE ARG 131 HE ARG 131 115.238 -13.018 -13.018 986 1HH1 ARG 131 2HH1 ARG 131 117.478 -11.053 -11.053 987 2HH1 ARG 131 1HH1 ARG 131 117.836 -10.170 -10.170 988 1HH2 ARG 131 1HH2 ARG 131 115.091 -11.359 -11.359 989 2HH2 ARG 131 2HH2 ARG 131 116.499 -10.353 -10.353 990 H ALA 132 H ALA 132 113.422 -13.670 -13.670 991 HA ALA 132 HA ALA 132 114.933 -16.173 -16.173 992 1HB ALA 132 2HB ALA 132 112.578 -14.965 -14.965 993 2HB ALA 132 1HB ALA 132 113.380 -16.295 -16.295 994 3HB ALA 132 3HB ALA 132 112.731 -16.536 -16.536 995 H ALA 133 H ALA 133 114.463 -13.546 -13.546 996 HA ALA 133 HA ALA 133 116.621 -14.569 -14.569 997 1HB ALA 133 1HB ALA 133 114.369 -12.756 -12.756 998 2HB ALA 133 3HB ALA 133 115.814 -11.964 -11.964 999 3HB ALA 133 2HB ALA 133 115.271 -13.490 -13.490 1000 H ALA 134 H ALA 134 116.383 -12.471 -12.471 1001 HA ALA 134 HA ALA 134 118.801 -10.907 -10.907 1002 1HB ALA 134 3HB ALA 134 116.468 -10.225 -10.225 1003 2HB ALA 134 2HB ALA 134 117.366 -10.647 -10.647 1004 3HB ALA 134 1HB ALA 134 117.972 -9.388 -9.388 1005 H GLY 135 H GLY 135 119.588 -13.501 -13.501 1006 1HA GLY 135 2HA GLY 135 121.660 -14.035 -14.035 1007 2HA GLY 135 1HA GLY 135 120.738 -13.581 -13.581 1008 H GLY 136 H GLY 136 121.971 -16.211 -16.211 1009 1HA GLY 136 2HA GLY 136 119.742 -18.022 -18.022 1010 2HA GLY 136 1HA GLY 136 121.418 -18.493 -18.493 1011 H THR 137 H THR 137 121.890 -17.188 -17.188 1012 HA THR 137 HA THR 137 121.029 -18.975 -18.975 1013 HB THR 137 HB THR 137 122.842 -17.337 -17.337 1014 HG1 THR 137 HG1 THR 137 122.435 -16.877 -16.877 1015 1HG2 THR 137 3HG2 THR 137 121.508 -15.517 -15.517 1016 2HG2 THR 137 2HG2 THR 137 120.735 -15.201 -15.201 1017 3HG2 THR 137 1HG2 THR 137 122.476 -14.996 -14.996 1018 H ARG 138 H ARG 138 119.182 -19.176 -19.176 1019 HA ARG 138 HA ARG 138 117.177 -16.984 -16.984 1020 1HB ARG 138 2HB ARG 138 117.100 -19.335 -19.335 1021 2HB ARG 138 1HB ARG 138 115.712 -19.310 -19.310 1022 1HG ARG 138 2HG ARG 138 114.769 -17.546 -17.546 1023 2HG ARG 138 1HG ARG 138 116.304 -16.681 -16.681 1024 1HD ARG 138 2HD ARG 138 116.309 -17.170 -17.170 1025 2HD ARG 138 1HD ARG 138 116.607 -18.858 -18.858 1026 HE ARG 138 HE ARG 138 113.792 -18.039 -18.039 1027 1HH1 ARG 138 1HH2 ARG 138 116.093 -18.671 -18.671 1028 2HH1 ARG 138 2HH2 ARG 138 115.112 -19.823 -19.823 1029 1HH2 ARG 138 2HH1 ARG 138 112.606 -19.842 -19.842 1030 2HH2 ARG 138 1HH1 ARG 138 113.151 -20.487 -20.487 1031 H GLY 139 H GLY 139 118.382 -17.491 -17.491 1032 1HA GLY 139 2HA GLY 139 116.882 -19.642 -19.642 1033 2HA GLY 139 1HA GLY 139 118.383 -18.906 -18.906 1034 H SER 140 H SER 140 115.201 -18.997 -18.997 1035 HA SER 140 HA SER 140 114.652 -16.158 -16.158 1036 1HB SER 140 2HB SER 140 112.961 -17.858 -17.858 1037 2HB SER 140 1HB SER 140 112.588 -17.071 -17.071 1038 HG SER 140 HG SER 140 112.615 -19.550 -19.550 1039 H ASN 141 H ASN 141 115.206 -18.945 -18.945 1040 HA ASN 141 HA ASN 141 115.845 -16.997 -16.997 1041 1HB ASN 141 2HB ASN 141 114.116 -18.781 -18.781 1042 2HB ASN 141 1HB ASN 141 115.374 -19.994 -19.994 1043 1HD2 ASN 141 1HD2 ASN 141 116.623 -20.567 -20.567 1044 2HD2 ASN 141 2HD2 ASN 141 116.604 -19.730 -19.730 1045 H HIS 142 H HIS 142 117.762 -17.417 -17.417 1046 HA HIS 142 HA HIS 142 119.889 -18.943 -18.943 1047 1HB HIS 142 2HB HIS 142 118.859 -19.427 -19.427 1048 2HB HIS 142 1HB HIS 142 120.151 -18.306 -18.306 1049 HD1 HIS 142 HD1 HIS 142 122.053 -19.730 -19.730 1050 HD2 HIS 142 HD2 HIS 142 120.286 -21.231 -21.231 1051 HE1 HIS 142 HE1 HIS 142 123.475 -21.692 -21.692 1052 H ALA 143 H ALA 143 122.058 -17.932 -17.932 1053 HA ALA 143 HA ALA 143 122.088 -15.056 -15.056 1054 1HB ALA 143 3HB ALA 143 122.087 -16.172 -16.172 1055 2HB ALA 143 2HB ALA 143 123.716 -15.562 -15.562 1056 3HB ALA 143 1HB ALA 143 122.332 -14.484 -14.484 1057 H ARG 144 H ARG 144 123.639 -14.908 -14.908 1058 HA ARG 144 HA ARG 144 125.683 -16.784 -16.784 1059 1HB ARG 144 2HB ARG 144 125.119 -13.889 -13.889 1060 2HB ARG 144 1HB ARG 144 126.708 -14.517 -14.517 1061 1HG ARG 144 2HG ARG 144 125.879 -15.885 -15.885 1062 2HG ARG 144 1HG ARG 144 124.340 -16.129 -16.129 1063 1HD ARG 144 2HD ARG 144 123.947 -14.736 -14.736 1064 2HD ARG 144 1HD ARG 144 123.768 -13.715 -13.715 1065 HE ARG 144 HE ARG 144 126.511 -13.679 -13.679 1066 1HH1 ARG 144 2HH1 ARG 144 125.031 -11.170 -11.170 1067 2HH1 ARG 144 1HH1 ARG 144 124.908 -10.464 -10.464 1068 1HH2 ARG 144 1HH2 ARG 144 125.654 -13.406 -13.406 1069 2HH2 ARG 144 2HH2 ARG 144 125.267 -11.724 -11.724 1070 H ILE 145 H ILE 145 128.141 -15.764 -15.764 1071 HA ILE 145 HA ILE 145 128.951 -15.850 -15.850 1072 HB ILE 145 HB ILE 145 130.292 -16.668 -16.668 1073 1HG1 ILE 145 2HG1 ILE 145 132.434 -15.241 -15.241 1074 2HG1 ILE 145 1HG1 ILE 145 131.374 -14.545 -14.545 1075 1HG2 ILE 145 2HG2 ILE 145 130.351 -13.724 -13.724 1076 2HG2 ILE 145 1HG2 ILE 145 131.488 -14.900 -14.900 1077 3HG2 ILE 145 3HG2 ILE 145 129.763 -15.061 -15.061 1078 1HD1 ILE 145 2HD1 ILE 145 131.026 -17.395 -17.395 1079 2HD1 ILE 145 1HD1 ILE 145 132.750 -17.036 -17.036 1080 3HD1 ILE 145 3HD1 ILE 145 131.649 -16.360 -16.360 1081 H ASP 146 H ASP 146 129.569 -14.151 -14.151 1082 HA ASP 146 HA ASP 146 128.350 -11.679 -11.679 1083 1HB ASP 146 2HB ASP 146 130.207 -11.012 -11.012 1084 2HB ASP 146 1HB ASP 146 129.605 -12.632 -12.632 1085 H ALA 147 H ALA 147 128.337 -10.540 -10.540 1086 HA ALA 147 HA ALA 147 130.949 -9.303 -9.303 1087 1HB ALA 147 3HB ALA 147 130.262 -11.435 -11.435 1088 2HB ALA 147 2HB ALA 147 129.057 -10.394 -10.394 1089 3HB ALA 147 1HB ALA 147 130.774 -10.019 -10.019 1090 H ALA 148 H ALA 148 129.357 -7.689 -7.689 1091 HA ALA 148 HA ALA 148 127.087 -6.482 -6.482 1092 1HB ALA 148 1HB ALA 148 128.769 -6.026 -6.026 1093 2HB ALA 148 3HB ALA 148 129.189 -4.664 -4.664 1094 3HB ALA 148 2HB ALA 148 127.524 -4.882 -4.882 1095 H GLU 149 H GLU 149 126.795 -5.682 -5.682 1096 HA GLU 149 HA GLU 149 129.165 -4.694 -4.694 1097 1HB GLU 149 2HB GLU 149 127.317 -6.494 -6.494 1098 2HB GLU 149 1HB GLU 149 126.432 -5.053 -5.053 1099 1HG GLU 149 2HG GLU 149 127.590 -5.334 -5.334 1100 2HG GLU 149 1HG GLU 149 128.877 -4.515 -4.515 1101 H GLY 150 H GLY 150 129.435 -2.516 -2.516 1102 1HA GLY 150 2HA GLY 150 127.789 -0.564 -0.564 1103 2HA GLY 150 1HA GLY 150 127.257 -0.702 -0.702 1104 HA PRO 151 HA PRO 151 130.611 2.300 2.300 1105 1HB PRO 151 2HB PRO 151 129.754 3.417 3.417 1106 2HB PRO 151 1HB PRO 151 129.074 3.856 3.856 1107 1HG PRO 151 2HG PRO 151 127.981 2.052 2.052 1108 2HG PRO 151 1HG PRO 151 127.138 3.185 3.185 1109 1HD PRO 151 2HD PRO 151 127.221 0.479 0.479 1110 2HD PRO 151 1HD PRO 151 126.991 1.667 1.667 1111 H SER 152 H SER 152 132.512 2.239 2.239 1112 HA SER 152 HA SER 152 133.141 -0.140 -0.140 1113 1HB SER 152 2HB SER 152 135.104 1.360 1.360 1114 2HB SER 152 1HB SER 152 134.876 1.170 1.170 1115 HG SER 152 HG SER 152 134.405 3.369 3.369 1116 H ASP 153 H ASP 153 133.814 -0.113 -0.113 1117 HA ASP 153 HA ASP 153 133.321 0.267 0.267 1118 1HB ASP 153 2HB ASP 153 133.465 2.729 2.729 1119 2HB ASP 153 1HB ASP 153 131.892 2.797 2.797 1120 H ILE 154 H ILE 154 131.609 -0.449 -0.449 1121 HA ILE 154 HA ILE 154 128.847 -0.258 -0.258 1122 HB ILE 154 HB ILE 154 130.309 -2.571 -2.571 1123 1HG1 ILE 154 2HG1 ILE 154 129.041 -3.389 -3.389 1124 2HG1 ILE 154 1HG1 ILE 154 129.629 -1.773 -1.773 1125 1HG2 ILE 154 1HG2 ILE 154 127.367 -2.127 -2.127 1126 2HG2 ILE 154 3HG2 ILE 154 128.044 -3.755 -3.755 1127 3HG2 ILE 154 2HG2 ILE 154 128.154 -2.755 -2.755 1128 1HD1 ILE 154 2HD1 ILE 154 131.558 -3.449 -3.449 1129 2HD1 ILE 154 1HD1 ILE 154 131.157 -4.040 -4.040 1130 3HD1 ILE 154 3HD1 ILE 154 131.808 -2.412 -2.412 1131 HA PRO 155 HA PRO 155 128.928 1.505 1.505 1132 1HB PRO 155 2HB PRO 155 127.234 3.578 3.578 1133 2HB PRO 155 1HB PRO 155 128.982 3.654 3.654 1134 1HG PRO 155 2HG PRO 155 126.764 3.179 3.179 1135 2HG PRO 155 1HG PRO 155 128.264 4.095 4.095 1136 1HD PRO 155 2HD PRO 155 127.866 1.566 1.566 1137 2HD PRO 155 1HD PRO 155 129.463 2.241 2.241 1138 H ASP 156 HN ASP 156 127.621 0.249 0.249 1139 HA ASP 156 HA ASP 156 125.131 -0.905 -0.905 1140 1HB ASP 156 2HB ASP 156 126.880 -0.680 -0.680 1141 2HB ASP 156 1HB ASP 156 125.198 -0.549 -0.549 Start of MODEL 2 1 1H MET 1 1H MET 1 130.135 35.064 35.064 2 2H MET 1 3H MET 1 128.803 35.281 35.281 3 3H MET 1 2H MET 1 130.064 36.421 36.421 4 HA MET 1 HA MET 1 129.516 37.127 37.127 5 1HB MET 1 2HB MET 1 128.396 38.174 38.174 6 2HB MET 1 1HB MET 1 127.211 36.873 36.873 7 1HG MET 1 2HG MET 1 126.109 38.645 38.645 8 2HG MET 1 1HG MET 1 126.590 37.518 37.518 9 1HE MET 1 3HE MET 1 125.990 40.564 40.564 10 2HE MET 1 2HE MET 1 126.759 41.609 41.609 11 3HE MET 1 1HE MET 1 127.479 41.425 41.425 12 H GLU 2 H GLU 2 126.628 35.269 35.269 13 HA GLU 2 HA GLU 2 126.534 34.146 34.146 14 1HB GLU 2 2HB GLU 2 124.544 35.081 35.081 15 2HB GLU 2 1HB GLU 2 124.043 33.837 33.837 16 1HG GLU 2 2HG GLU 2 125.267 35.568 35.568 17 2HG GLU 2 1HG GLU 2 124.684 36.697 36.697 18 HA PRO 3 HA PRO 3 127.361 30.559 30.559 19 1HB PRO 3 2HB PRO 3 129.062 29.292 29.292 20 2HB PRO 3 1HB PRO 3 129.607 30.529 30.529 21 1HG PRO 3 2HG PRO 3 129.020 30.779 30.779 22 2HG PRO 3 1HG PRO 3 130.328 31.499 31.499 23 1HD PRO 3 2HD PRO 3 128.117 32.880 32.880 24 2HD PRO 3 1HD PRO 3 129.014 33.231 33.231 25 H ALA 4 H ALA 4 127.231 28.105 28.105 26 HA ALA 4 HA ALA 4 125.787 26.457 26.457 27 1HB ALA 4 1HB ALA 4 126.865 28.190 28.190 28 2HB ALA 4 3HB ALA 4 125.450 27.250 27.250 29 3HB ALA 4 2HB ALA 4 126.888 26.432 26.432 30 H ALA 5 H ALA 5 123.851 26.962 26.962 31 HA ALA 5 HA ALA 5 121.623 27.885 27.885 32 1HB ALA 5 1HB ALA 5 122.871 29.966 29.966 33 2HB ALA 5 3HB ALA 5 122.395 29.535 29.535 34 3HB ALA 5 2HB ALA 5 121.163 29.911 29.911 35 H GLY 6 H GLY 6 119.720 27.018 27.018 36 1HA GLY 6 2HA GLY 6 118.330 26.477 26.477 37 2HA GLY 6 1HA GLY 6 119.806 25.895 25.895 38 H SER 7 H SER 7 120.966 24.317 24.317 39 HA SER 7 HA SER 7 119.577 21.859 21.859 40 1HB SER 7 2HB SER 7 121.218 21.327 21.327 41 2HB SER 7 1HB SER 7 121.910 21.869 21.869 42 HG SER 7 HG SER 7 122.725 23.452 23.452 43 H SER 8 H SER 8 118.962 20.608 20.608 44 HA SER 8 HA SER 8 117.093 22.371 22.371 45 1HB SER 8 2HB SER 8 116.555 20.232 20.232 46 2HB SER 8 1HB SER 8 116.891 19.394 19.394 47 HG SER 8 HG SER 8 115.394 21.050 21.050 48 H MET 9 H MET 9 119.323 19.603 19.603 49 HA MET 9 HA MET 9 120.618 18.949 18.949 50 1HB MET 9 2HB MET 9 120.575 21.698 21.698 51 2HB MET 9 1HB MET 9 119.942 21.351 21.351 52 1HG MET 9 2HG MET 9 121.983 19.597 19.597 53 2HG MET 9 1HG MET 9 122.643 20.816 20.816 54 1HE MET 9 2HE MET 9 122.400 23.279 23.279 55 2HE MET 9 1HE MET 9 123.077 23.946 23.946 56 3HE MET 9 3HE MET 9 124.024 22.818 22.818 57 H GLU 10 H GLU 10 120.322 18.631 18.631 58 HA GLU 10 HA GLU 10 119.016 17.707 17.707 59 1HB GLU 10 2HB GLU 10 117.833 20.113 20.113 60 2HB GLU 10 1HB GLU 10 116.508 18.979 18.979 61 1HG GLU 10 2HG GLU 10 117.710 18.463 18.463 62 2HG GLU 10 1HG GLU 10 118.527 20.002 20.002 63 HA PRO 11 HA PRO 11 117.075 14.861 14.861 64 1HB PRO 11 2HB PRO 11 118.461 12.628 12.628 65 2HB PRO 11 1HB PRO 11 119.067 13.767 13.767 66 1HG PRO 11 2HG PRO 11 119.764 13.541 13.541 67 2HG PRO 11 1HG PRO 11 120.816 13.849 13.849 68 1HD PRO 11 2HD PRO 11 119.985 15.811 15.811 69 2HD PRO 11 1HD PRO 11 120.309 16.089 16.089 70 H SER 12 H SER 12 115.727 12.918 12.918 71 HA SER 12 HA SER 12 114.263 13.225 13.225 72 1HB SER 12 2HB SER 12 114.149 10.638 10.638 73 2HB SER 12 1HB SER 12 112.847 11.751 11.751 74 HG SER 12 HG SER 12 114.364 11.544 11.544 75 H ALA 13 H ALA 13 114.826 12.459 12.459 76 HA ALA 13 HA ALA 13 115.852 9.825 9.825 77 1HB ALA 13 3HB ALA 13 117.739 11.895 11.895 78 2HB ALA 13 2HB ALA 13 118.124 11.264 11.264 79 3HB ALA 13 1HB ALA 13 118.015 10.168 10.168 80 H ASP 14 H ASP 14 115.788 13.203 13.203 81 HA ASP 14 HA ASP 14 115.917 12.453 12.453 82 1HB ASP 14 2HB ASP 14 115.915 14.847 14.847 83 2HB ASP 14 1HB ASP 14 115.041 15.075 15.075 84 H TRP 15 H TRP 15 113.390 12.742 12.742 85 HA TRP 15 HA TRP 15 111.243 13.345 13.345 86 1HB TRP 15 2HB TRP 15 111.389 12.409 12.409 87 2HB TRP 15 1HB TRP 15 109.867 12.748 12.748 88 HD1 TRP 15 HD1 TRP 15 112.203 15.099 15.099 89 HE1 TRP 15 HE1 TRP 15 112.074 17.400 17.400 90 HE3 TRP 15 HE3 TRP 15 109.587 13.832 13.832 91 HZ2 TRP 15 HZ2 TRP 15 111.010 18.549 18.549 92 HZ3 TRP 15 HZ3 TRP 15 109.032 15.549 15.549 93 HH2 TRP 15 HH2 TRP 15 109.740 17.904 17.904 94 H LEU 16 H LEU 16 113.028 10.533 10.533 95 HA LEU 16 HA LEU 16 110.912 8.563 8.563 96 1HB LEU 16 2HB LEU 16 112.683 7.644 7.644 97 2HB LEU 16 1HB LEU 16 113.843 8.739 8.739 98 HG LEU 16 HG LEU 16 113.738 7.404 7.404 99 1HD1 LEU 16 3HD1 LEU 16 111.571 6.097 6.097 100 2HD1 LEU 16 2HD1 LEU 16 112.662 4.985 4.985 101 3HD1 LEU 16 1HD1 LEU 16 111.803 6.218 6.218 102 1HD2 LEU 16 1HD2 LEU 16 114.919 6.679 6.679 103 2HD2 LEU 16 3HD2 LEU 16 115.474 6.264 6.264 104 3HD2 LEU 16 2HD2 LEU 16 114.371 5.187 5.187 105 H ALA 17 H ALA 17 113.576 9.709 9.709 106 HA ALA 17 HA ALA 17 112.736 8.222 8.222 107 1HB ALA 17 2HB ALA 17 114.986 9.387 9.387 108 2HB ALA 17 1HB ALA 17 114.272 10.813 10.813 109 3HB ALA 17 3HB ALA 17 114.533 9.351 9.351 110 H THR 18 H THR 18 112.334 11.647 11.647 111 HA THR 18 HA THR 18 110.935 12.654 12.654 112 HB THR 18 HB THR 18 109.757 13.952 13.952 113 HG1 THR 18 HG1 THR 18 110.386 12.642 12.642 114 1HG2 THR 18 3HG2 THR 18 112.388 14.103 14.103 115 2HG2 THR 18 2HG2 THR 18 112.300 14.941 14.941 116 3HG2 THR 18 1HG2 THR 18 111.181 15.363 15.363 117 H ALA 19 H ALA 19 109.521 11.082 11.082 118 HA ALA 19 HA ALA 19 106.801 11.183 11.183 119 1HB ALA 19 2HB ALA 19 108.453 9.429 9.429 120 2HB ALA 19 1HB ALA 19 106.737 9.101 9.101 121 3HB ALA 19 3HB ALA 19 107.253 10.645 10.645 122 H ALA 20 H ALA 20 109.079 8.410 8.410 123 HA ALA 20 HA ALA 20 107.504 6.593 6.593 124 1HB ALA 20 2HB ALA 20 110.355 7.210 7.210 125 2HB ALA 20 1HB ALA 20 110.026 6.356 6.356 126 3HB ALA 20 3HB ALA 20 109.539 5.649 5.649 127 H ALA 21 H ALA 21 109.451 9.257 9.257 128 HA ALA 21 HA ALA 21 108.686 8.709 8.709 129 1HB ALA 21 1HB ALA 21 110.805 9.801 9.801 130 2HB ALA 21 3HB ALA 21 109.832 11.243 11.243 131 3HB ALA 21 2HB ALA 21 110.054 10.632 10.632 132 H ARG 22 H ARG 22 107.520 10.864 10.864 133 HA ARG 22 HA ARG 22 105.705 12.277 12.277 134 1HB ARG 22 2HB ARG 22 107.101 13.183 13.183 135 2HB ARG 22 1HB ARG 22 105.804 12.525 12.525 136 1HG ARG 22 2HG ARG 22 104.402 14.204 14.204 137 2HG ARG 22 1HG ARG 22 104.770 14.033 14.033 138 1HD ARG 22 2HD ARG 22 107.010 15.212 15.212 139 2HD ARG 22 1HD ARG 22 106.215 15.697 15.697 140 HE ARG 22 HE ARG 22 105.622 16.778 16.778 141 1HH1 ARG 22 1HH2 ARG 22 104.751 16.796 16.796 142 2HH1 ARG 22 2HH2 ARG 22 103.136 17.362 17.362 143 1HH2 ARG 22 2HH1 ARG 22 103.287 17.053 17.053 144 2HH2 ARG 22 1HH1 ARG 22 102.307 17.506 17.506 145 H GLY 23 H GLY 23 105.271 9.360 9.360 146 1HA GLY 23 2HA GLY 23 103.547 7.883 7.883 147 2HA GLY 23 1HA GLY 23 102.501 9.216 9.216 148 H ARG 24 H ARG 24 104.458 8.115 8.115 149 HA ARG 24 HA ARG 24 102.261 9.066 9.066 150 1HB ARG 24 2HB ARG 24 104.972 10.068 10.068 151 2HB ARG 24 1HB ARG 24 104.713 9.502 9.502 152 1HG ARG 24 2HG ARG 24 103.756 11.527 11.527 153 2HG ARG 24 1HG ARG 24 102.371 10.867 10.867 154 1HD ARG 24 2HD ARG 24 104.429 11.835 11.835 155 2HD ARG 24 1HD ARG 24 103.839 13.116 13.116 156 HE ARG 24 HE ARG 24 101.841 11.350 11.350 157 1HH1 ARG 24 2HH1 ARG 24 101.245 13.925 13.925 158 2HH1 ARG 24 1HH1 ARG 24 100.931 15.022 15.022 159 1HH2 ARG 24 1HH2 ARG 24 102.339 12.976 12.976 160 2HH2 ARG 24 2HH2 ARG 24 101.548 14.484 14.484 161 H VAL 25 H VAL 25 102.491 6.408 6.408 162 HA VAL 25 HA VAL 25 104.182 4.641 4.641 163 HB VAL 25 HB VAL 25 101.179 4.576 4.576 164 1HG1 VAL 25 1HG1 VAL 25 102.931 2.677 2.677 165 2HG1 VAL 25 3HG1 VAL 25 102.123 1.952 1.952 166 3HG1 VAL 25 2HG1 VAL 25 101.171 2.699 2.699 167 1HG2 VAL 25 1HG2 VAL 25 103.089 4.715 4.715 168 2HG2 VAL 25 3HG2 VAL 25 101.637 3.739 3.739 169 3HG2 VAL 25 2HG2 VAL 25 103.141 2.976 2.976 170 H GLU 26 H GLU 26 101.436 6.425 6.425 171 HA GLU 26 HA GLU 26 101.490 5.144 5.144 172 1HB GLU 26 2HB GLU 26 100.419 7.778 7.778 173 2HB GLU 26 1HB GLU 26 100.070 7.162 7.162 174 1HG GLU 26 2HG GLU 26 98.359 6.000 6.000 175 2HG GLU 26 1HG GLU 26 99.554 5.004 5.004 176 H GLU 27 H GLU 27 102.781 8.257 8.257 177 HA GLU 27 HA GLU 27 103.908 9.199 9.199 178 1HB GLU 27 2HB GLU 27 103.871 9.833 9.833 179 2HB GLU 27 1HB GLU 27 105.550 9.895 9.895 180 1HG GLU 27 2HG GLU 27 103.268 11.272 11.272 181 2HG GLU 27 1HG GLU 27 104.317 12.074 12.074 182 H VAL 28 H VAL 28 105.383 7.159 7.159 183 HA VAL 28 HA VAL 28 107.963 6.941 6.941 184 HB VAL 28 HB VAL 28 106.550 4.967 4.967 185 1HG1 VAL 28 3HG1 VAL 28 109.470 5.610 5.610 186 2HG1 VAL 28 2HG1 VAL 28 108.889 4.519 4.519 187 3HG1 VAL 28 1HG1 VAL 28 108.632 4.125 4.125 188 1HG2 VAL 28 2HG2 VAL 28 108.040 7.536 7.536 189 2HG2 VAL 28 1HG2 VAL 28 106.390 7.117 7.117 190 3HG2 VAL 28 3HG2 VAL 28 107.752 6.286 6.286 191 H ARG 29 H ARG 29 105.100 4.794 4.794 192 HA ARG 29 HA ARG 29 106.090 2.667 2.667 193 1HB ARG 29 2HB ARG 29 103.588 3.757 3.757 194 2HB ARG 29 1HB ARG 29 103.432 3.354 3.354 195 1HG ARG 29 2HG ARG 29 103.103 1.220 1.220 196 2HG ARG 29 1HG ARG 29 104.820 1.184 1.184 197 1HD ARG 29 2HD ARG 29 103.906 0.582 0.582 198 2HD ARG 29 1HD ARG 29 103.932 2.346 2.346 199 HE ARG 29 HE ARG 29 101.577 2.374 2.374 200 1HH1 ARG 29 1HH2 ARG 29 102.461 -0.741 -0.741 201 2HH1 ARG 29 2HH2 ARG 29 101.150 -1.493 -1.493 202 1HH2 ARG 29 2HH1 ARG 29 100.080 1.440 1.440 203 2HH2 ARG 29 1HH1 ARG 29 99.807 -0.261 -0.261 204 H ALA 30 H ALA 30 104.672 5.738 5.738 205 HA ALA 30 HA ALA 30 105.097 5.146 5.146 206 1HB ALA 30 1HB ALA 30 104.149 7.349 7.349 207 2HB ALA 30 3HB ALA 30 104.862 7.869 7.869 208 3HB ALA 30 2HB ALA 30 103.488 6.765 6.765 209 H LEU 31 H LEU 31 106.840 6.993 6.993 210 HA LEU 31 HA LEU 31 108.882 8.080 8.080 211 1HB LEU 31 2HB LEU 31 108.322 7.684 7.684 212 2HB LEU 31 1HB LEU 31 110.019 7.913 7.913 213 HG LEU 31 HG LEU 31 107.847 9.744 9.744 214 1HD1 LEU 31 1HD1 LEU 31 108.768 9.481 9.481 215 2HD1 LEU 31 3HD1 LEU 31 109.386 10.999 10.999 216 3HD1 LEU 31 2HD1 LEU 31 107.654 10.674 10.674 217 1HD2 LEU 31 3HD2 LEU 31 110.557 9.435 9.435 218 2HD2 LEU 31 2HD2 LEU 31 109.559 10.840 10.840 219 3HD2 LEU 31 1HD2 LEU 31 110.523 10.814 10.814 220 H LEU 32 H LEU 32 109.052 5.309 5.309 221 HA LEU 32 HA LEU 32 111.615 4.367 4.367 222 1HB LEU 32 2HB LEU 32 109.022 3.132 3.132 223 2HB LEU 32 1HB LEU 32 110.377 2.069 2.069 224 HG LEU 32 HG LEU 32 110.427 4.366 4.366 225 1HD1 LEU 32 3HD1 LEU 32 110.467 1.362 1.362 226 2HD1 LEU 32 2HD1 LEU 32 110.657 2.560 2.560 227 3HD1 LEU 32 1HD1 LEU 32 109.137 2.440 2.440 228 1HD2 LEU 32 1HD2 LEU 32 112.543 3.050 3.050 229 2HD2 LEU 32 3HD2 LEU 32 112.670 4.218 4.218 230 3HD2 LEU 32 2HD2 LEU 32 112.583 2.493 2.493 231 H GLU 33 H GLU 33 108.558 3.402 3.402 232 HA GLU 33 HA GLU 33 109.784 1.723 1.723 233 1HB GLU 33 2HB GLU 33 107.154 3.192 3.192 234 2HB GLU 33 1HB GLU 33 107.504 2.159 2.159 235 1HG GLU 33 2HG GLU 33 107.744 0.222 0.222 236 2HG GLU 33 1HG GLU 33 107.787 1.194 1.194 237 H ALA 34 H ALA 34 109.691 5.161 5.161 238 HA ALA 34 HA ALA 34 109.933 5.641 5.641 239 1HB ALA 34 1HB ALA 34 109.897 7.383 7.383 240 2HB ALA 34 3HB ALA 34 110.062 8.030 8.030 241 3HB ALA 34 2HB ALA 34 108.596 7.164 7.164 242 H GLY 35 H GLY 35 112.045 4.966 4.966 243 1HA GLY 35 2HA GLY 35 114.416 4.548 4.548 244 2HA GLY 35 1HA GLY 35 114.323 6.133 6.133 245 H ALA 36 H ALA 36 113.056 5.308 5.308 246 HA ALA 36 HA ALA 36 114.286 7.598 7.598 247 1HB ALA 36 2HB ALA 36 112.203 6.284 6.284 248 2HB ALA 36 1HB ALA 36 113.294 5.050 5.050 249 3HB ALA 36 3HB ALA 36 113.307 6.673 6.673 250 H LEU 37 H LEU 37 115.928 7.450 7.450 251 HA LEU 37 HA LEU 37 118.137 5.619 5.619 252 1HB LEU 37 2HB LEU 37 117.956 8.266 8.266 253 2HB LEU 37 1HB LEU 37 118.415 7.550 7.550 254 HG LEU 37 HG LEU 37 120.332 6.435 6.435 255 1HD1 LEU 37 1HD1 LEU 37 118.890 7.085 7.085 256 2HD1 LEU 37 3HD1 LEU 37 120.444 7.917 7.917 257 3HD1 LEU 37 2HD1 LEU 37 120.388 6.168 6.168 258 1HD2 LEU 37 2HD2 LEU 37 119.949 9.339 9.339 259 2HD2 LEU 37 1HD2 LEU 37 121.295 8.351 8.351 260 3HD2 LEU 37 3HD2 LEU 37 121.236 8.883 8.883 261 HA PRO 38 HA PRO 38 116.687 3.020 3.020 262 1HB PRO 38 2HB PRO 38 118.577 1.058 1.058 263 2HB PRO 38 1HB PRO 38 117.116 1.179 1.179 264 1HG PRO 38 2HG PRO 38 119.894 2.092 2.092 265 2HG PRO 38 1HG PRO 38 118.731 1.267 1.267 266 1HD PRO 38 2HD PRO 38 119.172 3.922 3.922 267 2HD PRO 38 1HD PRO 38 117.573 3.209 3.209 268 H ASN 39 H ASN 39 119.963 4.167 4.167 269 HA ASN 39 HA ASN 39 120.435 4.173 4.173 270 1HB ASN 39 2HB ASN 39 122.370 3.585 3.585 271 2HB ASN 39 1HB ASN 39 122.789 3.629 3.629 272 1HD2 ASN 39 1HD2 ASN 39 120.738 2.233 2.233 273 2HD2 ASN 39 2HD2 ASN 39 120.649 0.650 0.650 274 H ALA 40 H ALA 40 119.408 6.434 6.434 275 HA ALA 40 HA ALA 40 121.310 8.303 8.303 276 1HB ALA 40 2HB ALA 40 118.490 8.075 8.075 277 2HB ALA 40 1HB ALA 40 119.080 9.611 9.611 278 3HB ALA 40 3HB ALA 40 119.312 9.214 9.214 279 HA PRO 41 HA PRO 41 122.914 8.979 8.979 280 1HB PRO 41 2HB PRO 41 125.132 10.370 10.370 281 2HB PRO 41 1HB PRO 41 125.043 8.596 8.596 282 1HG PRO 41 2HG PRO 41 124.726 10.539 10.539 283 2HG PRO 41 1HG PRO 41 125.536 8.964 8.964 284 1HD PRO 41 2HD PRO 41 123.050 9.350 9.350 285 2HD PRO 41 1HD PRO 41 123.590 7.809 7.809 286 H ASN 42 H ASN 42 121.242 10.461 10.461 287 HA ASN 42 HA ASN 42 121.372 13.234 13.234 288 1HB ASN 42 2HB ASN 42 119.228 13.429 13.429 289 2HB ASN 42 1HB ASN 42 119.228 12.036 12.036 290 1HD2 ASN 42 1HD2 ASN 42 117.521 12.204 12.204 291 2HD2 ASN 42 2HD2 ASN 42 118.013 10.999 10.999 292 H SER 43 H SER 43 120.704 14.830 14.830 293 HA SER 43 HA SER 43 123.061 14.782 14.782 294 1HB SER 43 2HB SER 43 121.320 16.966 16.966 295 2HB SER 43 1HB SER 43 122.818 16.992 16.992 296 HG SER 43 HG SER 43 120.199 16.994 16.994 297 H TYR 44 H TYR 44 120.140 13.291 13.291 298 HA TYR 44 HA TYR 44 119.532 14.050 14.050 299 1HB TYR 44 2HB TYR 44 118.131 13.130 13.130 300 2HB TYR 44 1HB TYR 44 118.072 11.794 11.794 301 HD1 TYR 44 HD1 TYR 44 118.189 15.468 15.468 302 HD2 TYR 44 HD2 TYR 44 115.860 11.857 11.857 303 HE1 TYR 44 HE1 TYR 44 116.411 16.651 16.651 304 HE2 TYR 44 HE2 TYR 44 114.085 13.043 13.043 305 HH TYR 44 HH TYR 44 113.912 16.375 16.375 306 H GLY 45 H GLY 45 121.617 11.878 11.878 307 1HA GLY 45 2HA GLY 45 122.758 9.961 9.961 308 2HA GLY 45 1HA GLY 45 122.541 10.620 10.620 309 H ARG 46 H ARG 46 119.721 9.937 9.937 310 HA ARG 46 HA ARG 46 119.171 7.562 7.562 311 1HB ARG 46 2HB ARG 46 117.381 9.652 9.652 312 2HB ARG 46 1HB ARG 46 116.780 8.257 8.257 313 1HG ARG 46 2HG ARG 46 118.850 9.765 9.765 314 2HG ARG 46 1HG ARG 46 117.396 10.707 10.707 315 1HD ARG 46 2HD ARG 46 116.086 8.659 8.659 316 2HD ARG 46 1HD ARG 46 117.643 8.132 8.132 317 HE ARG 46 HE ARG 46 117.284 10.894 10.894 318 1HH1 ARG 46 1HH2 ARG 46 117.495 8.009 8.009 319 2HH1 ARG 46 2HH2 ARG 46 116.346 8.329 8.329 320 1HH2 ARG 46 2HH1 ARG 46 115.139 11.223 11.223 321 2HH2 ARG 46 1HH1 ARG 46 115.007 10.139 10.139 322 H ARG 47 H ARG 47 118.721 5.647 5.647 323 HA ARG 47 HA ARG 47 119.249 5.285 5.285 324 1HB ARG 47 2HB ARG 47 117.623 3.609 3.609 325 2HB ARG 47 1HB ARG 47 118.323 3.026 3.026 326 1HG ARG 47 2HG ARG 47 119.859 4.103 4.103 327 2HG ARG 47 1HG ARG 47 119.785 2.423 2.423 328 1HD ARG 47 2HD ARG 47 121.632 2.856 2.856 329 2HD ARG 47 1HD ARG 47 120.586 3.834 3.834 330 HE ARG 47 HE ARG 47 121.047 5.684 5.684 331 1HH1 ARG 47 1HH2 ARG 47 123.130 3.357 3.357 332 2HH1 ARG 47 2HH2 ARG 47 124.592 4.180 4.180 333 1HH2 ARG 47 2HH1 ARG 47 122.969 6.711 6.711 334 2HH2 ARG 47 1HH1 ARG 47 124.501 6.079 6.079 335 HA PRO 48 HA PRO 48 115.516 6.259 6.259 336 1HB PRO 48 2HB PRO 48 115.007 4.065 4.065 337 2HB PRO 48 1HB PRO 48 116.296 5.237 5.237 338 1HG PRO 48 2HG PRO 48 116.472 2.572 2.572 339 2HG PRO 48 1HG PRO 48 117.545 3.302 3.302 340 1HD PRO 48 2HD PRO 48 118.161 3.251 3.251 341 2HD PRO 48 1HD PRO 48 118.638 4.600 4.600 342 H ILE 49 H ILE 49 115.530 3.265 3.265 343 HA ILE 49 HA ILE 49 112.532 3.340 3.340 344 HB ILE 49 HB ILE 49 114.623 1.206 1.206 345 1HG1 ILE 49 2HG1 ILE 49 112.342 1.602 1.602 346 2HG1 ILE 49 1HG1 ILE 49 114.053 1.391 1.391 347 1HG2 ILE 49 3HG2 ILE 49 112.756 1.207 1.207 348 2HG2 ILE 49 2HG2 ILE 49 111.636 0.902 0.902 349 3HG2 ILE 49 1HG2 ILE 49 112.898 -0.270 -0.270 350 1HD1 ILE 49 1HD1 ILE 49 113.842 -0.925 -0.925 351 2HD1 ILE 49 3HD1 ILE 49 112.098 -0.679 -0.679 352 3HD1 ILE 49 2HD1 ILE 49 113.040 -0.721 -0.721 353 H GLN 50 H GLN 50 115.490 3.301 3.301 354 HA GLN 50 HA GLN 50 114.483 3.159 3.159 355 1HB GLN 50 2HB GLN 50 116.861 3.178 3.178 356 2HB GLN 50 1HB GLN 50 116.720 4.846 4.846 357 1HG GLN 50 2HG GLN 50 116.932 5.662 5.662 358 2HG GLN 50 1HG GLN 50 115.759 4.517 4.517 359 1HE2 GLN 50 1HE2 GLN 50 119.039 5.336 5.336 360 2HE2 GLN 50 2HE2 GLN 50 119.655 3.868 3.868 361 H VAL 51 H VAL 51 114.088 5.670 5.670 362 HA VAL 51 HA VAL 51 113.040 7.553 7.553 363 HB VAL 51 HB VAL 51 114.950 8.206 8.206 364 1HG1 VAL 51 1HG1 VAL 51 114.025 6.944 6.944 365 2HG1 VAL 51 3HG1 VAL 51 112.814 8.215 8.215 366 3HG1 VAL 51 2HG1 VAL 51 114.525 8.596 8.596 367 1HG2 VAL 51 2HG2 VAL 51 112.433 9.644 9.644 368 2HG2 VAL 51 1HG2 VAL 51 114.095 10.210 10.210 369 3HG2 VAL 51 3HG2 VAL 51 113.317 10.235 10.235 370 H MET 52 H MET 52 111.897 5.215 5.215 371 HA MET 52 HA MET 52 109.690 6.649 6.649 372 1HB MET 52 2HB MET 52 109.097 4.482 4.482 373 2HB MET 52 1HB MET 52 110.857 4.498 4.498 374 1HG MET 52 2HG MET 52 110.742 2.621 2.621 375 2HG MET 52 1HG MET 52 110.078 3.610 3.610 376 1HE MET 52 1HE MET 52 109.838 0.702 0.702 377 2HE MET 52 3HE MET 52 108.592 1.091 1.091 378 3HE MET 52 2HE MET 52 108.199 0.091 0.091 379 H MET 53 H MET 53 107.374 6.049 6.049 380 HA MET 53 HA MET 53 106.721 6.537 6.537 381 1HB MET 53 2HB MET 53 105.303 6.922 6.922 382 2HB MET 53 1HB MET 53 105.064 5.178 5.178 383 1HG MET 53 2HG MET 53 103.271 5.517 5.517 384 2HG MET 53 1HG MET 53 104.455 5.697 5.697 385 1HE MET 53 2HE MET 53 102.446 7.244 7.244 386 2HE MET 53 1HE MET 53 101.359 7.323 7.323 387 3HE MET 53 3HE MET 53 101.934 8.810 8.810 388 H MET 54 H MET 54 107.737 5.007 5.007 389 HA MET 54 HA MET 54 107.905 2.214 2.214 390 1HB MET 54 2HB MET 54 108.107 4.173 4.173 391 2HB MET 54 1HB MET 54 107.652 2.557 2.557 392 1HG MET 54 2HG MET 54 110.128 2.888 2.888 393 2HG MET 54 1HG MET 54 109.592 1.584 1.584 394 1HE MET 54 3HE MET 54 110.474 1.130 1.130 395 2HE MET 54 2HE MET 54 110.552 2.058 2.058 396 3HE MET 54 1HE MET 54 111.968 1.958 1.958 397 H GLY 55 H GLY 55 105.116 4.139 4.139 398 1HA GLY 55 2HA GLY 55 103.554 1.909 1.909 399 2HA GLY 55 1HA GLY 55 102.959 3.541 3.541 400 H SER 56 H SER 56 104.731 2.432 2.432 401 HA SER 56 HA SER 56 102.302 1.326 1.326 402 1HB SER 56 2HB SER 56 103.380 3.918 3.918 403 2HB SER 56 1HB SER 56 103.899 3.040 3.040 404 HG SER 56 HG SER 56 101.924 3.160 3.160 405 H ALA 57 H ALA 57 103.385 -0.761 -0.761 406 HA ALA 57 HA ALA 57 106.051 -1.316 -1.316 407 1HB ALA 57 1HB ALA 57 103.460 -2.872 -2.872 408 2HB ALA 57 3HB ALA 57 104.983 -3.622 -3.622 409 3HB ALA 57 2HB ALA 57 104.799 -2.960 -2.960 410 H ARG 58 H ARG 58 103.170 -0.627 -0.627 411 HA ARG 58 HA ARG 58 103.720 -1.821 -1.821 412 1HB ARG 58 2HB ARG 58 102.616 0.937 0.937 413 2HB ARG 58 1HB ARG 58 102.401 0.084 0.084 414 1HG ARG 58 2HG ARG 58 101.449 -1.841 -1.841 415 2HG ARG 58 1HG ARG 58 101.258 -0.581 -0.581 416 1HD ARG 58 2HD ARG 58 99.698 0.631 0.631 417 2HD ARG 58 1HD ARG 58 100.218 -0.152 -0.152 418 HE ARG 58 HE ARG 58 98.958 -1.795 -1.795 419 1HH1 ARG 58 1HH2 ARG 58 96.919 -0.344 -0.344 420 2HH1 ARG 58 2HH2 ARG 58 96.605 -1.434 -1.434 421 1HH2 ARG 58 2HH1 ARG 58 99.499 -3.280 -3.280 422 2HH2 ARG 58 1HH1 ARG 58 98.069 -3.092 -3.092 423 H VAL 59 H VAL 59 104.833 1.402 1.402 424 HA VAL 59 HA VAL 59 106.357 2.111 2.111 425 HB VAL 59 HB VAL 59 106.945 2.679 2.679 426 1HG1 VAL 59 3HG1 VAL 59 108.702 3.294 3.294 427 2HG1 VAL 59 2HG1 VAL 59 107.505 4.317 4.317 428 3HG1 VAL 59 1HG1 VAL 59 108.024 4.680 4.680 429 1HG2 VAL 59 1HG2 VAL 59 105.015 3.908 3.908 430 2HG2 VAL 59 3HG2 VAL 59 104.661 3.282 3.282 431 3HG2 VAL 59 2HG2 VAL 59 105.574 4.780 4.780 432 H ALA 60 H ALA 60 107.574 0.619 0.619 433 HA ALA 60 HA ALA 60 110.218 0.157 0.157 434 1HB ALA 60 2HB ALA 60 108.160 -0.947 -0.947 435 2HB ALA 60 1HB ALA 60 109.174 -2.263 -2.263 436 3HB ALA 60 3HB ALA 60 109.901 -0.916 -0.916 437 H GLU 61 H GLU 61 107.640 -2.213 -2.213 438 HA GLU 61 HA GLU 61 109.139 -4.044 -4.044 439 1HB GLU 61 2HB GLU 61 106.559 -3.737 -3.737 440 2HB GLU 61 1HB GLU 61 106.503 -3.069 -3.069 441 1HG GLU 61 2HG GLU 61 107.282 -5.093 -5.093 442 2HG GLU 61 1HG GLU 61 107.803 -5.731 -5.731 443 H LEU 62 H LEU 62 107.639 -1.036 -1.036 444 HA LEU 62 HA LEU 62 108.423 -1.122 -1.122 445 1HB LEU 62 2HB LEU 62 107.516 0.762 0.762 446 2HB LEU 62 1HB LEU 62 108.841 1.507 1.507 447 HG LEU 62 HG LEU 62 106.244 0.424 0.424 448 1HD1 LEU 62 1HD1 LEU 62 107.058 2.933 2.933 449 2HD1 LEU 62 3HD1 LEU 62 107.337 2.984 2.984 450 3HD1 LEU 62 2HD1 LEU 62 105.735 2.608 2.608 451 1HD2 LEU 62 1HD2 LEU 62 108.848 0.346 0.346 452 2HD2 LEU 62 3HD2 LEU 62 107.295 -0.187 -0.187 453 3HD2 LEU 62 2HD2 LEU 62 107.805 1.487 1.487 454 H LEU 63 H LEU 63 110.220 0.830 0.830 455 HA LEU 63 HA LEU 63 112.645 0.998 0.998 456 1HB LEU 63 2HB LEU 63 111.628 1.524 1.524 457 2HB LEU 63 1HB LEU 63 113.369 1.265 1.265 458 HG LEU 63 HG LEU 63 111.964 3.132 3.132 459 1HD1 LEU 63 3HD1 LEU 63 112.437 3.493 3.493 460 2HD1 LEU 63 2HD1 LEU 63 113.217 4.735 4.735 461 3HD1 LEU 63 1HD1 LEU 63 111.480 4.471 4.471 462 1HD2 LEU 63 1HD2 LEU 63 114.759 2.444 2.444 463 2HD2 LEU 63 3HD2 LEU 63 114.104 2.916 2.916 464 3HD2 LEU 63 2HD2 LEU 63 114.430 4.142 4.142 465 H LEU 64 H LEU 64 111.760 -1.128 -1.128 466 HA LEU 64 HA LEU 64 114.108 -2.607 -2.607 467 1HB LEU 64 2HB LEU 64 112.035 -2.676 -2.676 468 2HB LEU 64 1HB LEU 64 111.219 -3.547 -3.547 469 HG LEU 64 HG LEU 64 112.154 -4.943 -4.943 470 1HD1 LEU 64 1HD1 LEU 64 111.528 -5.694 -5.694 471 2HD1 LEU 64 3HD1 LEU 64 113.267 -5.772 -5.772 472 3HD1 LEU 64 2HD1 LEU 64 112.526 -6.776 -6.776 473 1HD2 LEU 64 1HD2 LEU 64 114.371 -3.648 -3.648 474 2HD2 LEU 64 3HD2 LEU 64 114.489 -5.406 -5.406 475 3HD2 LEU 64 2HD2 LEU 64 114.767 -4.596 -4.596 476 H LEU 65 H LEU 65 111.323 -3.944 -3.944 477 HA LEU 65 HA LEU 65 112.714 -5.996 -5.996 478 1HB LEU 65 2HB LEU 65 110.747 -6.205 -6.205 479 2HB LEU 65 1HB LEU 65 110.187 -5.392 -5.392 480 HG LEU 65 HG LEU 65 110.790 -3.215 -3.215 481 1HD1 LEU 65 1HD1 LEU 65 110.731 -5.463 -5.463 482 2HD1 LEU 65 3HD1 LEU 65 109.772 -4.055 -4.055 483 3HD1 LEU 65 2HD1 LEU 65 111.496 -3.881 -3.881 484 1HD2 LEU 65 2HD2 LEU 65 108.509 -4.351 -4.351 485 2HD2 LEU 65 1HD2 LEU 65 108.508 -2.942 -2.942 486 3HD2 LEU 65 3HD2 LEU 65 108.267 -4.552 -4.552 487 H HIS 66 H HIS 66 112.677 -2.576 -2.576 488 HA HIS 66 HA HIS 66 113.728 -2.778 -2.778 489 1HB HIS 66 2HB HIS 66 112.760 -0.833 -0.833 490 2HB HIS 66 1HB HIS 66 114.272 -0.285 -0.285 491 HD1 HIS 66 HD1 HIS 66 113.543 1.363 1.363 492 HD2 HIS 66 HD2 HIS 66 111.401 -2.205 -2.205 493 HE1 HIS 66 HE1 HIS 66 112.068 1.520 1.520 494 H GLY 67 H GLY 67 115.121 -1.687 -1.687 495 1HA GLY 67 2HA GLY 67 117.413 -3.069 -3.069 496 2HA GLY 67 1HA GLY 67 117.811 -1.960 -1.960 497 H ALA 68 H ALA 68 115.861 -1.361 -1.361 498 HA ALA 68 HA ALA 68 117.266 1.155 1.155 499 1HB ALA 68 2HB ALA 68 114.905 -0.265 -0.265 500 2HB ALA 68 1HB ALA 68 115.794 0.286 0.286 501 3HB ALA 68 3HB ALA 68 115.283 1.445 1.445 502 H GLU 69 H GLU 69 117.523 1.018 1.018 503 HA GLU 69 HA GLU 69 119.810 -0.904 -0.904 504 1HB GLU 69 2HB GLU 69 119.423 1.945 1.945 505 2HB GLU 69 1HB GLU 69 120.051 1.094 1.094 506 1HG GLU 69 2HG GLU 69 122.091 1.003 1.003 507 2HG GLU 69 1HG GLU 69 121.433 0.130 0.130 508 HA PRO 70 HA PRO 70 116.556 -2.030 -2.030 509 1HB PRO 70 2HB PRO 70 116.382 -4.670 -4.670 510 2HB PRO 70 1HB PRO 70 115.439 -3.416 -3.416 511 1HG PRO 70 2HG PRO 70 117.881 -4.843 -4.843 512 2HG PRO 70 1HG PRO 70 116.506 -4.260 -4.260 513 1HD PRO 70 2HD PRO 70 118.959 -3.004 -3.004 514 2HD PRO 70 1HD PRO 70 117.440 -2.229 -2.229 515 H ASN 71 H ASN 71 119.758 -2.384 -2.384 516 HA ASN 71 HA ASN 71 120.045 -3.985 -3.985 517 1HB ASN 71 2HB ASN 71 122.201 -4.847 -4.847 518 2HB ASN 71 1HB ASN 71 120.641 -5.632 -5.632 519 1HD2 ASN 71 1HD2 ASN 71 123.199 -4.243 -4.243 520 2HD2 ASN 71 2HD2 ASN 71 122.394 -3.980 -3.980 521 H CYS 72 H CYS 72 122.058 -2.245 -2.245 522 HA CYS 72 HA CYS 72 124.109 -1.313 -1.313 523 1HB CYS 72 2HB CYS 72 122.939 -0.751 -0.751 524 2HB CYS 72 1HB CYS 72 123.196 0.803 0.803 525 HG CYS 72 HG CYS 72 125.518 0.461 0.461 526 H ALA 73 H ALA 73 124.424 0.630 0.630 527 HA ALA 73 HA ALA 73 121.965 2.145 2.145 528 1HB ALA 73 1HB ALA 73 122.300 0.186 0.186 529 2HB ALA 73 3HB ALA 73 123.885 0.831 0.831 530 3HB ALA 73 2HB ALA 73 122.424 1.729 1.729 531 H ASP 74 H ASP 74 123.127 3.589 3.589 532 HA ASP 74 HA ASP 74 124.956 5.372 5.372 533 1HB ASP 74 2HB ASP 74 122.819 5.718 5.718 534 2HB ASP 74 1HB ASP 74 124.172 5.972 5.972 535 HA PRO 75 HA PRO 75 128.432 3.757 3.757 536 1HB PRO 75 2HB PRO 75 130.276 5.635 5.635 537 2HB PRO 75 1HB PRO 75 129.717 4.354 4.354 538 1HG PRO 75 2HG PRO 75 129.004 7.226 7.226 539 2HG PRO 75 1HG PRO 75 129.116 6.117 6.117 540 1HD PRO 75 2HD PRO 75 126.760 6.940 6.940 541 2HD PRO 75 1HD PRO 75 126.937 5.530 5.530 542 H ALA 76 H ALA 76 126.694 6.491 6.491 543 HA ALA 76 HA ALA 76 128.555 7.404 7.404 544 1HB ALA 76 2HB ALA 76 126.688 8.611 8.611 545 2HB ALA 76 1HB ALA 76 126.013 8.775 8.775 546 3HB ALA 76 3HB ALA 76 127.621 9.404 9.404 547 H THR 77 H THR 77 125.302 6.065 6.065 548 HA THR 77 HA THR 77 125.234 5.312 5.312 549 HB THR 77 HB THR 77 122.628 5.704 5.704 550 HG1 THR 77 HG1 THR 77 123.621 7.284 7.284 551 1HG2 THR 77 1HG2 THR 77 123.743 5.792 5.792 552 2HG2 THR 77 3HG2 THR 77 123.522 7.505 7.505 553 3HG2 THR 77 2HG2 THR 77 122.142 6.407 6.407 554 H LEU 78 H LEU 78 125.435 4.141 4.141 555 HA LEU 78 HA LEU 78 124.896 2.103 2.103 556 1HB LEU 78 2HB LEU 78 125.685 1.718 1.718 557 2HB LEU 78 1HB LEU 78 124.658 0.404 0.404 558 HG LEU 78 HG LEU 78 127.256 1.359 1.359 559 1HD1 LEU 78 3HD1 LEU 78 126.344 -1.275 -1.275 560 2HD1 LEU 78 2HD1 LEU 78 127.907 -1.009 -1.009 561 3HD1 LEU 78 1HD1 LEU 78 127.499 -0.148 -0.148 562 1HD2 LEU 78 1HD2 LEU 78 124.977 0.171 0.171 563 2HD2 LEU 78 3HD2 LEU 78 126.547 0.568 0.568 564 3HD2 LEU 78 2HD2 LEU 78 126.284 -1.012 -1.012 565 H THR 79 H THR 79 122.532 3.796 3.796 566 HA THR 79 HA THR 79 120.486 2.039 2.039 567 HB THR 79 HB THR 79 120.319 4.515 4.515 568 HG1 THR 79 HG1 THR 79 120.201 5.592 5.592 569 1HG2 THR 79 3HG2 THR 79 118.277 2.811 2.811 570 2HG2 THR 79 2HG2 THR 79 118.212 3.888 3.888 571 3HG2 THR 79 1HG2 THR 79 118.066 4.544 4.544 572 H ARG 80 H ARG 80 120.239 0.099 0.099 573 HA ARG 80 HA ARG 80 120.364 0.004 0.004 574 1HB ARG 80 2HB ARG 80 120.200 -1.804 -1.804 575 2HB ARG 80 1HB ARG 80 119.195 -2.349 -2.349 576 1HG ARG 80 2HG ARG 80 121.543 -1.512 -1.512 577 2HG ARG 80 1HG ARG 80 122.109 -2.302 -2.302 578 1HD ARG 80 2HD ARG 80 120.431 -4.203 -4.203 579 2HD ARG 80 1HD ARG 80 120.521 -3.470 -3.470 580 HE ARG 80 HE ARG 80 122.600 -5.042 -5.042 581 1HH1 ARG 80 1HH2 ARG 80 123.784 -2.248 -2.248 582 2HH1 ARG 80 2HH2 ARG 80 124.589 -2.145 -2.145 583 1HH2 ARG 80 2HH1 ARG 80 122.893 -4.836 -4.836 584 2HH2 ARG 80 1HH1 ARG 80 124.088 -3.613 -3.613 585 HA PRO 81 HA PRO 81 116.177 0.735 0.735 586 1HB PRO 81 2HB PRO 81 115.806 -1.078 -1.078 587 2HB PRO 81 1HB PRO 81 116.762 0.406 0.406 588 1HG PRO 81 2HG PRO 81 117.683 -2.382 -2.382 589 2HG PRO 81 1HG PRO 81 118.352 -1.161 -1.161 590 1HD PRO 81 2HD PRO 81 119.450 -1.696 -1.696 591 2HD PRO 81 1HD PRO 81 119.473 -0.068 -0.068 592 H VAL 82 H VAL 82 117.233 -2.318 -2.318 593 HA VAL 82 HA VAL 82 114.737 -3.768 -3.768 594 HB VAL 82 HB VAL 82 117.232 -3.859 -3.859 595 1HG1 VAL 82 1HG1 VAL 82 114.751 -5.217 -5.217 596 2HG1 VAL 82 3HG1 VAL 82 115.926 -6.398 -6.398 597 3HG1 VAL 82 2HG1 VAL 82 116.254 -5.474 -5.474 598 1HG2 VAL 82 2HG2 VAL 82 117.024 -4.343 -4.343 599 2HG2 VAL 82 1HG2 VAL 82 118.208 -5.115 -5.115 600 3HG2 VAL 82 3HG2 VAL 82 116.705 -5.948 -5.948 601 H HIS 83 H HIS 83 116.172 -1.329 -1.329 602 HA HIS 83 HA HIS 83 114.451 -1.729 -1.729 603 1HB HIS 83 2HB HIS 83 115.982 0.696 0.696 604 2HB HIS 83 1HB HIS 83 115.341 0.504 0.504 605 HD2 HIS 83 HD2 HIS 83 117.532 -0.160 -0.160 606 HE1 HIS 83 HE1 HIS 83 119.328 -2.929 -2.929 607 HE2 HIS 83 HE2 HIS 83 119.468 -1.839 -1.839 608 H ASP 84 H ASP 84 114.404 0.474 0.474 609 HA ASP 84 HA ASP 84 112.214 2.096 2.096 610 1HB ASP 84 2HB ASP 84 113.711 1.165 1.165 611 2HB ASP 84 1HB ASP 84 112.013 1.380 1.380 612 H ALA 85 H ALA 85 112.091 -1.155 -1.155 613 HA ALA 85 HA ALA 85 109.243 -1.242 -1.242 614 1HB ALA 85 2HB ALA 85 111.461 -2.835 -2.835 615 2HB ALA 85 1HB ALA 85 110.553 -3.794 -3.794 616 3HB ALA 85 3HB ALA 85 109.782 -3.268 -3.268 617 H ALA 86 H ALA 86 111.171 -3.061 -3.061 618 HA ALA 86 HA ALA 86 109.071 -3.736 -3.736 619 1HB ALA 86 3HB ALA 86 111.902 -3.868 -3.868 620 2HB ALA 86 2HB ALA 86 111.513 -3.170 -3.170 621 3HB ALA 86 1HB ALA 86 110.845 -4.736 -4.736 622 H ARG 87 H ARG 87 111.155 -0.837 -0.837 623 HA ARG 87 HA ARG 87 110.380 0.413 0.413 624 1HB ARG 87 2HB ARG 87 112.031 1.255 1.255 625 2HB ARG 87 1HB ARG 87 110.731 1.640 1.640 626 1HG ARG 87 2HG ARG 87 111.041 3.704 3.704 627 2HG ARG 87 1HG ARG 87 109.780 3.010 3.010 628 1HD ARG 87 2HD ARG 87 111.376 3.756 3.756 629 2HD ARG 87 1HD ARG 87 111.793 2.043 2.043 630 HE ARG 87 HE ARG 87 113.819 2.756 2.756 631 1HH1 ARG 87 1HH2 ARG 87 113.455 5.543 5.543 632 2HH1 ARG 87 2HH2 ARG 87 113.551 6.488 6.488 633 1HH2 ARG 87 2HH1 ARG 87 113.032 3.789 3.789 634 2HH2 ARG 87 1HH1 ARG 87 113.309 5.496 5.496 635 H GLU 88 H GLU 88 108.585 0.404 0.404 636 HA GLU 88 HA GLU 88 106.326 1.846 1.846 637 1HB GLU 88 2HB GLU 88 107.415 1.415 1.415 638 2HB GLU 88 1HB GLU 88 105.656 1.306 1.306 639 1HG GLU 88 2HG GLU 88 107.003 3.563 3.563 640 2HG GLU 88 1HG GLU 88 106.849 3.656 3.656 641 H GLY 89 H GLY 89 107.331 -1.329 -1.329 642 1HA GLY 89 2HA GLY 89 106.185 -3.322 -3.322 643 2HA GLY 89 1HA GLY 89 104.718 -2.369 -2.369 644 H PHE 90 H PHE 90 106.857 -2.737 -2.737 645 HA PHE 90 HA PHE 90 104.426 -3.563 -3.563 646 1HB PHE 90 2HB PHE 90 106.247 -1.434 -1.434 647 2HB PHE 90 1HB PHE 90 106.652 -2.574 -2.574 648 HD1 PHE 90 HD1 PHE 90 104.849 -3.388 -3.388 649 HD2 PHE 90 HD2 PHE 90 104.234 -0.150 -0.150 650 HE1 PHE 90 HE1 PHE 90 102.860 -2.673 -2.673 651 HE2 PHE 90 HE2 PHE 90 102.243 0.566 0.566 652 HZ PHE 90 HZ PHE 90 101.571 -0.690 -0.690 653 H LEU 91 H LEU 91 104.699 -5.837 -5.837 654 HA LEU 91 HA LEU 91 107.215 -7.187 -7.187 655 1HB LEU 91 2HB LEU 91 104.558 -7.778 -7.778 656 2HB LEU 91 1HB LEU 91 104.872 -8.750 -8.750 657 HG LEU 91 HG LEU 91 106.950 -8.617 -8.617 658 1HD1 LEU 91 1HD1 LEU 91 104.418 -10.273 -10.273 659 2HD1 LEU 91 3HD1 LEU 91 105.845 -10.667 -10.667 660 3HD1 LEU 91 2HD1 LEU 91 104.985 -9.153 -9.153 661 1HD2 LEU 91 2HD2 LEU 91 106.323 -10.203 -10.203 662 2HD2 LEU 91 1HD2 LEU 91 107.863 -9.988 -9.988 663 3HD2 LEU 91 3HD2 LEU 91 106.716 -11.198 -11.198 664 H ASP 92 H ASP 92 104.520 -6.249 -6.249 665 HA ASP 92 HA ASP 92 105.124 -7.652 -7.652 666 1HB ASP 92 2HB ASP 92 104.078 -4.882 -4.882 667 2HB ASP 92 1HB ASP 92 104.228 -5.449 -5.449 668 H THR 93 H THR 93 106.298 -4.359 -4.359 669 HA THR 93 HA THR 93 108.194 -4.038 -4.038 670 HB THR 93 HB THR 93 108.302 -3.143 -3.143 671 HG1 THR 93 HG1 THR 93 106.534 -2.212 -2.212 672 1HG2 THR 93 1HG2 THR 93 109.751 -2.260 -2.260 673 2HG2 THR 93 3HG2 THR 93 109.516 -1.161 -1.161 674 3HG2 THR 93 2HG2 THR 93 110.424 -2.655 -2.655 675 H LEU 94 H LEU 94 108.583 -5.511 -5.511 676 HA LEU 94 HA LEU 94 111.340 -6.157 -6.157 677 1HB LEU 94 2HB LEU 94 109.197 -6.524 -6.524 678 2HB LEU 94 1HB LEU 94 109.472 -8.172 -8.172 679 HG LEU 94 HG LEU 94 111.821 -8.038 -8.038 680 1HD1 LEU 94 1HD1 LEU 94 111.383 -5.265 -5.265 681 2HD1 LEU 94 3HD1 LEU 94 111.604 -5.607 -5.607 682 3HD1 LEU 94 2HD1 LEU 94 112.849 -6.070 -6.070 683 1HD2 LEU 94 1HD2 LEU 94 109.557 -8.113 -8.113 684 2HD2 LEU 94 3HD2 LEU 94 111.175 -8.679 -8.679 685 3HD2 LEU 94 2HD2 LEU 94 110.690 -7.039 -7.039 686 H VAL 95 H VAL 95 108.549 -8.167 -8.167 687 HA VAL 95 HA VAL 95 109.958 -10.361 -10.361 688 HB VAL 95 HB VAL 95 107.308 -9.026 -9.026 689 1HG1 VAL 95 2HG1 VAL 95 108.643 -10.988 -10.988 690 2HG1 VAL 95 1HG1 VAL 95 107.390 -11.840 -11.840 691 3HG1 VAL 95 3HG1 VAL 95 106.959 -10.480 -10.480 692 1HG2 VAL 95 1HG2 VAL 95 107.913 -10.115 -10.115 693 2HG2 VAL 95 3HG2 VAL 95 106.369 -10.509 -10.509 694 3HG2 VAL 95 2HG2 VAL 95 107.723 -11.636 -11.636 695 H VAL 96 H VAL 96 108.936 -7.270 -7.270 696 HA VAL 96 HA VAL 96 109.736 -7.766 -7.766 697 HB VAL 96 HB VAL 96 109.731 -5.150 -5.150 698 1HG1 VAL 96 3HG1 VAL 96 110.417 -5.694 -5.694 699 2HG1 VAL 96 2HG1 VAL 96 108.726 -5.207 -5.207 700 3HG1 VAL 96 1HG1 VAL 96 109.905 -4.125 -4.125 701 1HG2 VAL 96 1HG2 VAL 96 107.585 -6.976 -6.976 702 2HG2 VAL 96 3HG2 VAL 96 107.487 -5.319 -5.319 703 3HG2 VAL 96 2HG2 VAL 96 107.314 -5.652 -5.652 704 H LEU 97 H LEU 97 111.488 -6.436 -6.436 705 HA LEU 97 HA LEU 97 113.919 -5.762 -5.762 706 1HB LEU 97 2HB LEU 97 113.359 -6.651 -6.651 707 2HB LEU 97 1HB LEU 97 114.852 -5.883 -5.883 708 HG LEU 97 HG LEU 97 112.208 -4.557 -4.557 709 1HD1 LEU 97 2HD1 LEU 97 113.012 -5.244 -5.244 710 2HD1 LEU 97 1HD1 LEU 97 113.609 -3.596 -3.596 711 3HD1 LEU 97 3HD1 LEU 97 111.895 -3.944 -3.944 712 1HD2 LEU 97 3HD2 LEU 97 115.110 -3.807 -3.807 713 2HD2 LEU 97 2HD2 LEU 97 113.918 -3.399 -3.399 714 3HD2 LEU 97 1HD2 LEU 97 113.894 -2.575 -2.575 715 H HIS 98 H HIS 98 113.281 -8.589 -8.589 716 HA HIS 98 HA HIS 98 115.579 -10.097 -10.097 717 1HB HIS 98 2HB HIS 98 113.704 -10.406 -10.406 718 2HB HIS 98 1HB HIS 98 112.831 -11.258 -11.258 719 HD1 HIS 98 HD1 HIS 98 113.448 -13.057 -13.057 720 HD2 HIS 98 HD2 HIS 98 116.319 -12.268 -12.268 721 HE1 HIS 98 HE1 HIS 98 115.099 -14.973 -14.973 722 H ARG 99 H ARG 99 112.810 -9.398 -9.398 723 HA ARG 99 HA ARG 99 112.911 -11.701 -11.701 724 1HB ARG 99 2HB ARG 99 111.341 -9.377 -9.377 725 2HB ARG 99 1HB ARG 99 111.845 -9.332 -9.332 726 1HG ARG 99 2HG ARG 99 110.984 -11.603 -11.603 727 2HG ARG 99 1HG ARG 99 110.532 -11.704 -11.704 728 1HD ARG 99 2HD ARG 99 108.536 -10.772 -10.772 729 2HD ARG 99 1HD ARG 99 109.389 -9.296 -9.296 730 HE ARG 99 HE ARG 99 109.732 -11.093 -11.093 731 1HH1 ARG 99 2HH1 ARG 99 106.966 -11.997 -11.997 732 2HH1 ARG 99 1HH1 ARG 99 105.971 -10.939 -10.939 733 1HH2 ARG 99 1HH2 ARG 99 108.519 -8.684 -8.684 734 2HH2 ARG 99 2HH2 ARG 99 106.849 -9.065 -9.065 735 H ALA 100 H ALA 100 114.318 -8.444 -8.444 736 HA ALA 100 HA ALA 100 115.828 -9.339 -9.339 737 1HB ALA 100 3HB ALA 100 114.819 -6.647 -6.647 738 2HB ALA 100 2HB ALA 100 115.807 -6.883 -6.883 739 3HB ALA 100 1HB ALA 100 114.198 -7.598 -7.598 740 H GLY 101 H GLY 101 117.323 -10.211 -10.211 741 1HA GLY 101 2HA GLY 101 119.256 -10.007 -10.007 742 2HA GLY 101 1HA GLY 101 119.726 -8.850 -8.850 743 H ALA 102 H ALA 102 118.351 -9.201 -9.201 744 HA ALA 102 HA ALA 102 118.976 -6.326 -6.326 745 1HB ALA 102 1HB ALA 102 116.577 -6.628 -6.628 746 2HB ALA 102 3HB ALA 102 116.384 -7.711 -7.711 747 3HB ALA 102 2HB ALA 102 116.772 -6.011 -6.011 748 H ARG 103 H ARG 103 120.792 -7.370 -7.370 749 HA ARG 103 HA ARG 103 120.760 -9.265 -9.265 750 1HB ARG 103 2HB ARG 103 122.712 -7.969 -7.969 751 2HB ARG 103 1HB ARG 103 122.086 -6.537 -6.537 752 1HG ARG 103 2HG ARG 103 123.235 -7.205 -7.205 753 2HG ARG 103 1HG ARG 103 122.058 -8.505 -8.505 754 1HD ARG 103 2HD ARG 103 123.671 -10.024 -10.024 755 2HD ARG 103 1HD ARG 103 123.975 -9.255 -9.255 756 HE ARG 103 HE ARG 103 125.127 -7.617 -7.617 757 1HH1 ARG 103 2HH1 ARG 103 126.388 -8.898 -8.898 758 2HH1 ARG 103 1HH1 ARG 103 127.690 -9.780 -9.780 759 1HH2 ARG 103 1HH2 ARG 103 126.412 -9.539 -9.539 760 2HH2 ARG 103 2HH2 ARG 103 127.707 -10.140 -10.140 761 H LEU 104 H LEU 104 120.109 -9.366 -9.366 762 HA LEU 104 HA LEU 104 118.612 -7.000 -7.000 763 1HB LEU 104 2HB LEU 104 117.897 -9.945 -9.945 764 2HB LEU 104 1HB LEU 104 116.944 -8.604 -8.604 765 HG LEU 104 HG LEU 104 117.316 -7.863 -7.863 766 1HD1 LEU 104 3HD1 LEU 104 118.303 -10.142 -10.142 767 2HD1 LEU 104 2HD1 LEU 104 116.746 -10.839 -10.839 768 3HD1 LEU 104 1HD1 LEU 104 116.873 -9.797 -9.797 769 1HD2 LEU 104 2HD2 LEU 104 115.181 -8.747 -8.747 770 2HD2 LEU 104 1HD2 LEU 104 115.098 -7.649 -7.649 771 3HD2 LEU 104 3HD2 LEU 104 114.919 -9.386 -9.386 772 H ASP 105 H ASP 105 121.232 -9.004 -9.004 773 HA ASP 105 HA ASP 105 120.981 -9.085 -9.085 774 1HB ASP 105 2HB ASP 105 122.988 -10.591 -10.591 775 2HB ASP 105 1HB ASP 105 121.568 -11.166 -11.166 776 H VAL 106 H VAL 106 121.299 -6.509 -6.509 777 HA VAL 106 HA VAL 106 124.228 -5.929 -5.929 778 HB VAL 106 HB VAL 106 122.684 -5.223 -5.223 779 1HG1 VAL 106 1HG1 VAL 106 121.275 -4.020 -4.020 780 2HG1 VAL 106 3HG1 VAL 106 122.114 -2.689 -2.689 781 3HG1 VAL 106 2HG1 VAL 106 121.041 -3.742 -3.742 782 1HG2 VAL 106 2HG2 VAL 106 125.031 -4.234 -4.234 783 2HG2 VAL 106 1HG2 VAL 106 124.360 -3.791 -3.791 784 3HG2 VAL 106 3HG2 VAL 106 124.030 -2.789 -2.789 785 H ARG 107 H ARG 107 124.019 -3.304 -3.304 786 HA ARG 107 HA ARG 107 122.356 -3.282 -3.282 787 1HB ARG 107 2HB ARG 107 124.378 -2.835 -2.835 788 2HB ARG 107 1HB ARG 107 124.510 -4.391 -4.391 789 1HG ARG 107 2HG ARG 107 125.570 -2.659 -2.659 790 2HG ARG 107 1HG ARG 107 126.114 -1.948 -1.948 791 1HD ARG 107 2HD ARG 107 126.558 -4.813 -4.813 792 2HD ARG 107 1HD ARG 107 127.795 -3.561 -3.561 793 HE ARG 107 HE ARG 107 126.122 -4.598 -4.598 794 1HH1 ARG 107 2HH1 ARG 107 129.095 -5.295 -5.295 795 2HH1 ARG 107 1HH1 ARG 107 129.974 -4.575 -4.575 796 1HH2 ARG 107 1HH2 ARG 107 127.236 -2.851 -2.851 797 2HH2 ARG 107 2HH2 ARG 107 128.923 -3.189 -3.189 798 H ASP 108 H ASP 108 121.759 -1.161 -1.161 799 HA ASP 108 HA ASP 108 122.172 0.942 0.942 800 1HB ASP 108 2HB ASP 108 120.229 0.520 0.520 801 2HB ASP 108 1HB ASP 108 121.255 1.199 1.199 802 H ALA 109 H ALA 109 124.703 0.454 0.454 803 HA ALA 109 HA ALA 109 126.801 1.312 1.312 804 1HB ALA 109 3HB ALA 109 124.810 3.501 3.501 805 2HB ALA 109 2HB ALA 109 126.401 3.760 3.760 806 3HB ALA 109 1HB ALA 109 126.249 3.440 3.440 807 H TRP 110 H TRP 110 124.888 2.859 2.859 808 HA TRP 110 HA TRP 110 126.577 2.440 2.440 809 1HB TRP 110 2HB TRP 110 123.556 2.349 2.349 810 2HB TRP 110 1HB TRP 110 124.434 2.491 2.491 811 HD1 TRP 110 HD1 TRP 110 126.392 4.602 4.602 812 HE1 TRP 110 HE1 TRP 110 125.955 7.010 7.010 813 HE3 TRP 110 HE3 TRP 110 122.162 3.845 3.845 814 HZ2 TRP 110 HZ2 TRP 110 124.058 8.426 8.426 815 HZ3 TRP 110 HZ3 TRP 110 121.063 5.737 5.737 816 HH2 TRP 110 HH2 TRP 110 122.009 8.020 8.020 817 H GLY 111 H GLY 111 123.700 0.364 0.364 818 1HA GLY 111 2HA GLY 111 125.016 -2.127 -2.127 819 2HA GLY 111 1HA GLY 111 124.652 -1.715 -1.715 820 H ARG 112 H ARG 112 122.218 -0.258 -0.258 821 HA ARG 112 HA ARG 112 120.192 -2.107 -2.107 822 1HB ARG 112 2HB ARG 112 120.162 0.444 0.444 823 2HB ARG 112 1HB ARG 112 119.980 0.340 0.340 824 1HG ARG 112 2HG ARG 112 118.023 -1.338 -1.338 825 2HG ARG 112 1HG ARG 112 118.049 -0.412 -0.412 826 1HD ARG 112 2HD ARG 112 118.164 1.267 1.267 827 2HD ARG 112 1HD ARG 112 116.657 0.349 0.349 828 HE ARG 112 HE ARG 112 117.622 1.681 1.681 829 1HH1 ARG 112 1HH2 ARG 112 114.891 0.867 0.867 830 2HH1 ARG 112 2HH2 ARG 112 114.094 2.398 2.398 831 1HH2 ARG 112 2HH1 ARG 112 116.901 4.061 4.061 832 2HH2 ARG 112 1HH1 ARG 112 115.231 4.203 4.203 833 H LEU 113 H LEU 113 118.892 -3.402 -3.402 834 HA LEU 113 HA LEU 113 119.851 -3.720 -3.720 835 1HB LEU 113 2HB LEU 113 119.373 -5.509 -5.509 836 2HB LEU 113 1HB LEU 113 118.401 -5.989 -5.989 837 HG LEU 113 HG LEU 113 120.565 -5.710 -5.710 838 1HD1 LEU 113 2HD1 LEU 113 121.637 -5.700 -5.700 839 2HD1 LEU 113 1HD1 LEU 113 122.623 -6.143 -6.143 840 3HD1 LEU 113 3HD1 LEU 113 121.945 -4.519 -4.519 841 1HD2 LEU 113 3HD2 LEU 113 119.807 -7.863 -7.863 842 2HD2 LEU 113 2HD2 LEU 113 120.038 -7.934 -7.934 843 3HD2 LEU 113 1HD2 LEU 113 121.435 -7.965 -7.965 844 HA PRO 114 HA PRO 114 115.825 -2.852 -2.852 845 1HB PRO 114 2HB PRO 114 115.410 -4.837 -4.837 846 2HB PRO 114 1HB PRO 114 116.527 -3.486 -3.486 847 1HG PRO 114 2HG PRO 114 117.113 -6.273 -6.273 848 2HG PRO 114 1HG PRO 114 117.984 -5.249 -5.249 849 1HD PRO 114 2HD PRO 114 118.839 -5.623 -5.623 850 2HD PRO 114 1HD PRO 114 119.094 -4.096 -4.096 851 H VAL 115 H VAL 115 116.364 -6.221 -6.221 852 HA VAL 115 HA VAL 115 113.512 -6.808 -6.808 853 HB VAL 115 HB VAL 115 115.075 -8.543 -8.543 854 1HG1 VAL 115 1HG1 VAL 115 116.601 -7.531 -7.531 855 2HG1 VAL 115 3HG1 VAL 115 116.758 -9.234 -9.234 856 3HG1 VAL 115 2HG1 VAL 115 117.188 -7.985 -7.985 857 1HG2 VAL 115 2HG2 VAL 115 113.367 -8.739 -8.739 858 2HG2 VAL 115 1HG2 VAL 115 113.906 -10.047 -10.047 859 3HG2 VAL 115 3HG2 VAL 115 114.825 -9.648 -9.648 860 H ASP 116 H ASP 116 116.085 -5.538 -5.538 861 HA ASP 116 HA ASP 116 114.864 -6.180 -6.180 862 1HB ASP 116 2HB ASP 116 117.318 -5.380 -5.380 863 2HB ASP 116 1HB ASP 116 116.709 -3.879 -3.879 864 H LEU 117 H LEU 117 115.015 -3.217 -3.217 865 HA LEU 117 HA LEU 117 113.564 -1.533 -1.533 866 1HB LEU 117 2HB LEU 117 113.288 -0.124 -0.124 867 2HB LEU 117 1HB LEU 117 114.926 -0.765 -0.765 868 HG LEU 117 HG LEU 117 113.920 -2.720 -2.720 869 1HD1 LEU 117 3HD1 LEU 117 111.697 -1.007 -1.007 870 2HD1 LEU 117 2HD1 LEU 117 112.325 -0.752 -0.752 871 3HD1 LEU 117 1HD1 LEU 117 111.878 -2.374 -2.374 872 1HD2 LEU 117 3HD2 LEU 117 114.691 0.056 0.056 873 2HD2 LEU 117 2HD2 LEU 117 115.718 -1.374 -1.374 874 3HD2 LEU 117 1HD2 LEU 117 114.457 -1.283 -1.283 875 H ALA 118 H ALA 118 112.487 -4.069 -4.069 876 HA ALA 118 HA ALA 118 109.716 -3.159 -3.159 877 1HB ALA 118 3HB ALA 118 111.392 -5.504 -5.504 878 2HB ALA 118 2HB ALA 118 109.659 -5.795 -5.795 879 3HB ALA 118 1HB ALA 118 110.252 -4.582 -4.582 880 H GLU 119 H GLU 119 111.388 -5.746 -5.746 881 HA GLU 119 HA GLU 119 109.225 -6.769 -6.769 882 1HB GLU 119 2HB GLU 119 112.164 -6.546 -6.546 883 2HB GLU 119 1HB GLU 119 111.329 -6.819 -6.819 884 1HG GLU 119 2HG GLU 119 110.254 -8.496 -8.496 885 2HG GLU 119 1HG GLU 119 111.978 -8.771 -8.771 886 H GLU 120 H GLU 120 111.032 -3.774 -3.774 887 HA GLU 120 HA GLU 120 109.760 -3.212 -3.212 888 1HB GLU 120 2HB GLU 120 111.839 -2.041 -2.041 889 2HB GLU 120 1HB GLU 120 111.054 -0.956 -0.956 890 1HG GLU 120 2HG GLU 120 111.558 -2.699 -2.699 891 2HG GLU 120 1HG GLU 120 112.588 -3.493 -3.493 892 H LEU 121 H LEU 121 109.767 -1.698 -1.698 893 HA LEU 121 HA LEU 121 107.785 0.270 0.270 894 1HB LEU 121 2HB LEU 121 108.971 -1.108 -1.108 895 2HB LEU 121 1HB LEU 121 107.499 -0.178 -0.178 896 HG LEU 121 HG LEU 121 109.890 0.955 0.955 897 1HD1 LEU 121 2HD1 LEU 121 110.119 0.188 0.188 898 2HD1 LEU 121 1HD1 LEU 121 109.271 1.710 1.710 899 3HD1 LEU 121 3HD1 LEU 121 110.819 1.702 1.702 900 1HD2 LEU 121 2HD2 LEU 121 107.409 1.876 1.876 901 2HD2 LEU 121 1HD2 LEU 121 108.764 2.991 2.991 902 3HD2 LEU 121 3HD2 LEU 121 107.833 2.499 2.499 903 H GLY 122 H GLY 122 106.851 -2.070 -2.070 904 1HA GLY 122 2HA GLY 122 104.928 -3.555 -3.555 905 2HA GLY 122 1HA GLY 122 104.132 -2.140 -2.140 906 H HIS 123 H HIS 123 106.785 -4.010 -4.010 907 HA HIS 123 HA HIS 123 104.924 -4.730 -4.730 908 1HB HIS 123 2HB HIS 123 107.917 -4.262 -4.262 909 2HB HIS 123 1HB HIS 123 106.777 -4.305 -4.305 910 HD1 HIS 123 HD1 HIS 123 104.649 -2.411 -2.411 911 HD2 HIS 123 HD2 HIS 123 108.539 -1.626 -1.626 912 HE1 HIS 123 HE1 HIS 123 104.783 0.088 0.088 913 H ARG 124 H ARG 124 105.085 -6.457 -6.457 914 HA ARG 124 HA ARG 124 107.073 -8.388 -8.388 915 1HB ARG 124 2HB ARG 124 104.365 -8.030 -8.030 916 2HB ARG 124 1HB ARG 124 104.430 -9.595 -9.595 917 1HG ARG 124 2HG ARG 124 105.521 -10.550 -10.550 918 2HG ARG 124 1HG ARG 124 106.671 -9.215 -9.215 919 1HD ARG 124 2HD ARG 124 105.617 -8.671 -8.671 920 2HD ARG 124 1HD ARG 124 104.279 -8.102 -8.102 921 HE ARG 124 HE ARG 124 104.212 -10.476 -10.476 922 1HH1 ARG 124 2HH1 ARG 124 101.967 -8.900 -8.900 923 2HH1 ARG 124 1HH1 ARG 124 101.313 -10.171 -10.171 924 1HH2 ARG 124 1HH2 ARG 124 104.003 -12.301 -12.301 925 2HH2 ARG 124 2HH2 ARG 124 102.459 -12.103 -12.103 926 H ASP 125 H ASP 125 104.303 -8.560 -8.560 927 HA ASP 125 HA ASP 125 104.982 -10.902 -10.902 928 1HB ASP 125 2HB ASP 125 103.834 -8.280 -8.280 929 2HB ASP 125 1HB ASP 125 103.746 -9.808 -9.808 930 H VAL 126 H VAL 126 106.339 -7.638 -7.638 931 HA VAL 126 HA VAL 126 108.017 -8.430 -8.430 932 HB VAL 126 HB VAL 126 108.335 -5.913 -5.913 933 1HG1 VAL 126 1HG1 VAL 126 108.780 -6.835 -6.835 934 2HG1 VAL 126 3HG1 VAL 126 108.483 -5.126 -5.126 935 3HG1 VAL 126 2HG1 VAL 126 109.860 -5.926 -5.926 936 1HG2 VAL 126 1HG2 VAL 126 106.036 -6.707 -6.707 937 2HG2 VAL 126 3HG2 VAL 126 105.983 -5.880 -5.880 938 3HG2 VAL 126 2HG2 VAL 126 106.530 -5.018 -5.018 939 H ALA 127 H ALA 127 108.350 -7.908 -7.908 940 HA ALA 127 HA ALA 127 111.200 -8.075 -8.075 941 1HB ALA 127 3HB ALA 127 108.878 -7.995 -7.995 942 2HB ALA 127 2HB ALA 127 109.936 -9.283 -9.283 943 3HB ALA 127 1HB ALA 127 110.549 -7.636 -7.636 944 H ARG 128 H ARG 128 108.676 -10.602 -10.602 945 HA ARG 128 HA ARG 128 110.464 -12.819 -12.819 946 1HB ARG 128 2HB ARG 128 108.123 -12.999 -12.999 947 2HB ARG 128 1HB ARG 128 107.664 -12.475 -12.475 948 1HG ARG 128 2HG ARG 128 109.285 -14.736 -14.736 949 2HG ARG 128 1HG ARG 128 108.267 -15.153 -15.153 950 1HD ARG 128 2HD ARG 128 106.325 -15.089 -15.089 951 2HD ARG 128 1HD ARG 128 106.929 -13.803 -13.803 952 HE ARG 128 HE ARG 128 108.440 -16.275 -16.275 953 1HH1 ARG 128 1HH2 ARG 128 105.673 -17.199 -17.199 954 2HH1 ARG 128 2HH2 ARG 128 105.432 -16.870 -16.870 955 1HH2 ARG 128 2HH1 ARG 128 108.118 -14.687 -14.687 956 2HH2 ARG 128 1HH1 ARG 128 106.818 -15.445 -15.445 957 H TYR 129 H TYR 129 108.784 -11.706 -11.706 958 HA TYR 129 HA TYR 129 110.052 -13.449 -13.449 959 1HB TYR 129 2HB TYR 129 108.110 -11.959 -11.959 960 2HB TYR 129 1HB TYR 129 109.179 -10.560 -10.560 961 HD1 TYR 129 HD2 TYR 129 111.183 -10.495 -10.495 962 HD2 TYR 129 HD1 TYR 129 107.838 -13.144 -13.144 963 HE1 TYR 129 HE2 TYR 129 111.764 -10.796 -10.796 964 HE2 TYR 129 HE1 TYR 129 108.421 -13.454 -13.454 965 HH TYR 129 HH TYR 129 110.655 -13.244 -13.244 966 H LEU 130 H LEU 130 111.109 -10.273 -10.273 967 HA LEU 130 HA LEU 130 113.465 -10.029 -10.029 968 1HB LEU 130 2HB LEU 130 112.472 -8.942 -8.942 969 2HB LEU 130 1HB LEU 130 114.125 -8.602 -8.602 970 HG LEU 130 HG LEU 130 111.580 -7.883 -7.883 971 1HD1 LEU 130 3HD1 LEU 130 113.765 -6.375 -6.375 972 2HD1 LEU 130 2HD1 LEU 130 112.774 -5.588 -5.588 973 3HD1 LEU 130 1HD1 LEU 130 112.020 -6.254 -6.254 974 1HD2 LEU 130 3HD2 LEU 130 114.464 -7.929 -7.929 975 2HD2 LEU 130 2HD2 LEU 130 113.034 -8.447 -8.447 976 3HD2 LEU 130 1HD2 LEU 130 113.357 -6.729 -6.729 977 H ARG 131 H ARG 131 113.014 -11.209 -11.209 978 HA ARG 131 HA ARG 131 115.660 -11.959 -11.959 979 1HB ARG 131 2HB ARG 131 113.099 -12.199 -12.199 980 2HB ARG 131 1HB ARG 131 113.642 -13.866 -13.866 981 1HG ARG 131 2HG ARG 131 115.631 -13.425 -13.425 982 2HG ARG 131 1HG ARG 131 115.308 -11.690 -11.690 983 1HD ARG 131 2HD ARG 131 114.606 -12.611 -12.611 984 2HD ARG 131 1HD ARG 131 113.154 -12.167 -12.167 985 HE ARG 131 HE ARG 131 113.623 -14.775 -14.775 986 1HH1 ARG 131 2HH1 ARG 131 113.144 -13.122 -13.122 987 2HH1 ARG 131 1HH1 ARG 131 112.554 -14.532 -14.532 988 1HH2 ARG 131 1HH2 ARG 131 112.921 -16.612 -16.612 989 2HH2 ARG 131 2HH2 ARG 131 112.428 -16.497 -16.497 990 H ALA 132 H ALA 132 113.310 -13.542 -13.542 991 HA ALA 132 HA ALA 132 114.794 -16.061 -16.061 992 1HB ALA 132 2HB ALA 132 112.290 -15.734 -15.734 993 2HB ALA 132 1HB ALA 132 112.594 -14.944 -14.944 994 3HB ALA 132 3HB ALA 132 113.019 -16.641 -16.641 995 H ALA 133 H ALA 133 114.285 -13.203 -13.203 996 HA ALA 133 HA ALA 133 116.135 -14.227 -14.227 997 1HB ALA 133 1HB ALA 133 114.054 -13.011 -13.011 998 2HB ALA 133 3HB ALA 133 114.652 -11.603 -11.603 999 3HB ALA 133 2HB ALA 133 115.466 -12.134 -12.134 1000 H ALA 134 H ALA 134 116.389 -12.437 -12.437 1001 HA ALA 134 HA ALA 134 118.985 -11.221 -11.221 1002 1HB ALA 134 3HB ALA 134 117.180 -9.645 -9.645 1003 2HB ALA 134 2HB ALA 134 117.038 -10.434 -10.434 1004 3HB ALA 134 1HB ALA 134 118.512 -9.563 -9.563 1005 H GLY 135 H GLY 135 117.380 -13.279 -13.279 1006 1HA GLY 135 2HA GLY 135 119.509 -13.328 -13.328 1007 2HA GLY 135 1HA GLY 135 118.221 -14.525 -14.525 1008 H GLY 136 H GLY 136 121.529 -13.979 -13.979 1009 1HA GLY 136 2HA GLY 136 121.771 -16.234 -16.234 1010 2HA GLY 136 1HA GLY 136 123.064 -15.108 -15.108 1011 H THR 137 H THR 137 120.986 -17.589 -17.589 1012 HA THR 137 HA THR 137 122.473 -18.013 -18.013 1013 HB THR 137 HB THR 137 120.241 -18.978 -18.978 1014 HG1 THR 137 HG1 THR 137 120.880 -20.056 -20.056 1015 1HG2 THR 137 1HG2 THR 137 121.613 -19.887 -19.887 1016 2HG2 THR 137 3HG2 THR 137 121.429 -21.346 -21.346 1017 3HG2 THR 137 2HG2 THR 137 120.007 -20.418 -20.418 1018 H ARG 138 H ARG 138 124.429 -19.015 -19.015 1019 HA ARG 138 HA ARG 138 125.708 -20.650 -20.650 1020 1HB ARG 138 2HB ARG 138 126.227 -18.000 -18.000 1021 2HB ARG 138 1HB ARG 138 127.410 -18.660 -18.660 1022 1HG ARG 138 2HG ARG 138 128.222 -20.190 -20.190 1023 2HG ARG 138 1HG ARG 138 127.090 -19.444 -19.444 1024 1HD ARG 138 2HD ARG 138 128.751 -17.478 -17.478 1025 2HD ARG 138 1HD ARG 138 129.680 -18.582 -18.582 1026 HE ARG 138 HE ARG 138 127.457 -16.829 -16.829 1027 1HH1 ARG 138 1HH2 ARG 138 129.053 -19.661 -19.661 1028 2HH1 ARG 138 2HH2 ARG 138 129.532 -19.130 -19.130 1029 1HH2 ARG 138 2HH1 ARG 138 128.484 -15.859 -15.859 1030 2HH2 ARG 138 1HH1 ARG 138 129.199 -16.977 -16.977 1031 H GLY 139 H GLY 139 127.777 -21.693 -21.693 1032 1HA GLY 139 2HA GLY 139 127.849 -21.939 -21.939 1033 2HA GLY 139 1HA GLY 139 127.446 -23.409 -23.409 1034 H SER 140 H SER 140 129.128 -24.623 -24.623 1035 HA SER 140 HA SER 140 131.713 -23.410 -23.410 1036 1HB SER 140 2HB SER 140 131.272 -23.896 -23.896 1037 2HB SER 140 1HB SER 140 131.914 -25.459 -25.459 1038 HG SER 140 HG SER 140 133.742 -24.417 -24.417 1039 H ASN 141 H ASN 141 129.797 -25.081 -25.081 1040 HA ASN 141 HA ASN 141 131.599 -27.098 -27.098 1041 1HB ASN 141 2HB ASN 141 130.548 -29.063 -29.063 1042 2HB ASN 141 1HB ASN 141 130.797 -27.992 -27.992 1043 1HD2 ASN 141 1HD2 ASN 141 128.766 -26.415 -26.415 1044 2HD2 ASN 141 2HD2 ASN 141 127.248 -27.165 -27.165 1045 H HIS 142 H HIS 142 130.467 -28.458 -28.458 1046 HA HIS 142 HA HIS 142 128.201 -26.917 -26.917 1047 1HB HIS 142 2HB HIS 142 130.669 -27.534 -27.534 1048 2HB HIS 142 1HB HIS 142 129.730 -28.903 -28.903 1049 HD1 HIS 142 HD1 HIS 142 130.704 -25.687 -25.687 1050 HD2 HIS 142 HD2 HIS 142 127.061 -27.714 -27.714 1051 HE1 HIS 142 HE1 HIS 142 129.283 -24.548 -24.548 1052 H ALA 143 H ALA 143 126.833 -28.240 -28.240 1053 HA ALA 143 HA ALA 143 126.126 -30.865 -30.865 1054 1HB ALA 143 2HB ALA 143 127.556 -30.825 -30.825 1055 2HB ALA 143 1HB ALA 143 126.029 -30.400 -30.400 1056 3HB ALA 143 3HB ALA 143 126.178 -31.922 -31.922 1057 H ARG 144 H ARG 144 125.099 -28.272 -28.272 1058 HA ARG 144 HA ARG 144 122.354 -28.912 -28.912 1059 1HB ARG 144 2HB ARG 144 123.661 -27.187 -27.187 1060 2HB ARG 144 1HB ARG 144 123.636 -26.169 -26.169 1061 1HG ARG 144 2HG ARG 144 121.025 -26.639 -26.639 1062 2HG ARG 144 1HG ARG 144 121.391 -26.909 -26.909 1063 1HD ARG 144 2HD ARG 144 122.737 -24.517 -24.517 1064 2HD ARG 144 1HD ARG 144 120.983 -24.416 -24.416 1065 HE ARG 144 HE ARG 144 120.679 -24.568 -24.568 1066 1HH1 ARG 144 2HH1 ARG 144 123.412 -23.085 -23.085 1067 2HH1 ARG 144 1HH1 ARG 144 124.284 -23.904 -23.904 1068 1HH2 ARG 144 1HH2 ARG 144 122.016 -26.516 -26.516 1069 2HH2 ARG 144 2HH2 ARG 144 123.492 -25.848 -25.848 1070 H ILE 145 H ILE 145 120.573 -28.466 -28.466 1071 HA ILE 145 HA ILE 145 120.527 -26.689 -26.689 1072 HB ILE 145 HB ILE 145 122.094 -28.229 -28.229 1073 1HG1 ILE 145 2HG1 ILE 145 119.692 -29.422 -29.422 1074 2HG1 ILE 145 1HG1 ILE 145 119.669 -27.661 -27.661 1075 1HG2 ILE 145 3HG2 ILE 145 121.510 -30.088 -30.088 1076 2HG2 ILE 145 2HG2 ILE 145 120.189 -30.505 -30.505 1077 3HG2 ILE 145 1HG2 ILE 145 121.857 -30.599 -30.599 1078 1HD1 ILE 145 2HD1 ILE 145 122.226 -28.081 -28.081 1079 2HD1 ILE 145 1HD1 ILE 145 121.406 -29.441 -29.441 1080 3HD1 ILE 145 3HD1 ILE 145 120.875 -27.791 -27.791 1081 H ASP 146 H ASP 146 118.626 -26.630 -26.630 1082 HA ASP 146 HA ASP 146 116.603 -28.498 -28.498 1083 1HB ASP 146 2HB ASP 146 116.878 -25.556 -25.556 1084 2HB ASP 146 1HB ASP 146 115.228 -26.138 -26.138 1085 H ALA 147 H ALA 147 115.596 -29.681 -29.681 1086 HA ALA 147 HA ALA 147 114.520 -30.230 -30.230 1087 1HB ALA 147 1HB ALA 147 113.735 -27.517 -27.517 1088 2HB ALA 147 3HB ALA 147 113.493 -27.823 -27.823 1089 3HB ALA 147 2HB ALA 147 112.726 -28.865 -28.865 1090 H ALA 148 H ALA 148 116.397 -30.729 -30.729 1091 HA ALA 148 HA ALA 148 118.210 -28.922 -28.922 1092 1HB ALA 148 2HB ALA 148 118.388 -31.410 -31.410 1093 2HB ALA 148 1HB ALA 148 117.127 -31.544 -31.544 1094 3HB ALA 148 3HB ALA 148 118.679 -30.813 -30.813 1095 H GLU 149 H GLU 149 117.843 -27.345 -27.345 1096 HA GLU 149 HA GLU 149 115.304 -27.185 -27.185 1097 1HB GLU 149 2HB GLU 149 117.854 -25.539 -25.539 1098 2HB GLU 149 1HB GLU 149 116.398 -25.071 -25.071 1099 1HG GLU 149 2HG GLU 149 115.171 -24.716 -24.716 1100 2HG GLU 149 1HG GLU 149 116.223 -25.753 -25.753 1101 H GLY 150 H GLY 150 115.355 -26.853 -26.853 1102 1HA GLY 150 2HA GLY 150 117.044 -27.160 -27.160 1103 2HA GLY 150 1HA GLY 150 117.314 -28.739 -28.739 1104 HA PRO 151 HA PRO 151 113.486 -28.783 -28.783 1105 1HB PRO 151 2HB PRO 151 114.512 -29.409 -29.409 1106 2HB PRO 151 1HB PRO 151 114.269 -27.738 -27.738 1107 1HG PRO 151 2HG PRO 151 116.762 -29.287 -29.287 1108 2HG PRO 151 1HG PRO 151 116.499 -27.542 -27.542 1109 1HD PRO 151 2HD PRO 151 117.524 -28.982 -28.982 1110 2HD PRO 151 1HD PRO 151 117.014 -27.280 -27.280 1111 H SER 152 H SER 152 112.845 -30.744 -30.744 1112 HA SER 152 HA SER 152 114.438 -33.184 -33.184 1113 1HB SER 152 2HB SER 152 111.566 -33.240 -33.240 1114 2HB SER 152 1HB SER 152 112.955 -33.987 -33.987 1115 HG SER 152 HG SER 152 112.043 -32.193 -32.193 1116 H ASP 153 H ASP 153 112.279 -35.018 -35.018 1117 HA ASP 153 HA ASP 153 112.257 -35.046 -35.046 1118 1HB ASP 153 2HB ASP 153 112.243 -36.953 -36.953 1119 2HB ASP 153 1HB ASP 153 110.497 -36.696 -36.696 1120 H ILE 154 H ILE 154 110.388 -34.799 -34.799 1121 HA ILE 154 HA ILE 154 107.748 -34.166 -34.166 1122 HB ILE 154 HB ILE 154 108.659 -32.176 -32.176 1123 1HG1 ILE 154 2HG1 ILE 154 107.980 -31.076 -31.076 1124 2HG1 ILE 154 1HG1 ILE 154 106.735 -31.928 -31.928 1125 1HG2 ILE 154 2HG2 ILE 154 110.349 -32.132 -32.132 1126 2HG2 ILE 154 1HG2 ILE 154 110.117 -30.668 -30.668 1127 3HG2 ILE 154 3HG2 ILE 154 110.863 -32.090 -32.090 1128 1HD1 ILE 154 3HD1 ILE 154 107.169 -30.426 -30.426 1129 2HD1 ILE 154 2HD1 ILE 154 108.345 -29.543 -29.543 1130 3HD1 ILE 154 1HD1 ILE 154 106.641 -29.533 -29.533 1131 HA PRO 155 HA PRO 155 108.127 -35.115 -35.115 1132 1HB PRO 155 2HB PRO 155 105.772 -36.504 -36.504 1133 2HB PRO 155 1HB PRO 155 107.300 -37.240 -37.240 1134 1HG PRO 155 2HG PRO 155 105.023 -36.232 -36.232 1135 2HG PRO 155 1HG PRO 155 106.010 -37.688 -37.688 1136 1HD PRO 155 2HD PRO 155 106.381 -35.431 -35.431 1137 2HD PRO 155 1HD PRO 155 107.707 -36.543 -36.543 1138 H ASP 156 HN ASP 156 107.414 -33.641 -33.641 1139 HA ASP 156 HA ASP 156 104.773 -32.299 -32.299 1140 1HB ASP 156 2HB ASP 156 107.517 -31.291 -31.291 1141 2HB ASP 156 1HB ASP 156 106.373 -30.499 -30.499 Start of MODEL 3 1 1H MET 1 1H MET 1 105.878 31.026 31.026 2 2H MET 1 3H MET 1 106.522 30.708 30.708 3 3H MET 1 2H MET 1 104.932 30.233 30.233 4 HA MET 1 HA MET 1 105.634 28.515 28.515 5 1HB MET 1 2HB MET 1 106.040 28.498 28.498 6 2HB MET 1 1HB MET 1 107.744 28.512 28.512 7 1HG MET 1 2HG MET 1 107.181 26.212 26.212 8 2HG MET 1 1HG MET 1 107.179 26.540 26.540 9 1HE MET 1 3HE MET 1 105.894 26.024 26.024 10 2HE MET 1 2HE MET 1 104.275 26.717 26.717 11 3HE MET 1 1HE MET 1 104.476 24.985 24.985 12 H GLU 2 H GLU 2 106.748 30.597 30.597 13 HA GLU 2 HA GLU 2 109.602 30.663 30.663 14 1HB GLU 2 2HB GLU 2 107.255 31.546 31.546 15 2HB GLU 2 1HB GLU 2 108.642 31.188 31.188 16 1HG GLU 2 2HG GLU 2 109.107 33.391 33.391 17 2HG GLU 2 1HG GLU 2 109.948 32.565 32.565 18 HA PRO 3 HA PRO 3 109.289 27.351 27.351 19 1HB PRO 3 2HB PRO 3 106.881 26.132 26.132 20 2HB PRO 3 1HB PRO 3 107.374 27.619 27.619 21 1HG PRO 3 2HG PRO 3 105.538 27.263 27.263 22 2HG PRO 3 1HG PRO 3 105.436 28.391 28.391 23 1HD PRO 3 2HD PRO 3 106.291 29.083 29.083 24 2HD PRO 3 1HD PRO 3 106.763 29.938 29.938 25 H ALA 4 H ALA 4 110.454 26.010 26.010 26 HA ALA 4 HA ALA 4 108.837 23.984 23.984 27 1HB ALA 4 1HB ALA 4 110.206 26.033 26.033 28 2HB ALA 4 3HB ALA 4 111.485 24.821 24.821 29 3HB ALA 4 2HB ALA 4 109.990 24.471 24.471 30 H ALA 5 H ALA 5 109.730 23.463 23.463 31 HA ALA 5 HA ALA 5 111.093 22.006 22.006 32 1HB ALA 5 2HB ALA 5 109.886 20.514 20.514 33 2HB ALA 5 1HB ALA 5 111.184 20.708 20.708 34 3HB ALA 5 3HB ALA 5 111.497 19.891 19.891 35 H GLY 6 H GLY 6 112.751 23.893 23.893 36 1HA GLY 6 2HA GLY 6 115.053 24.410 24.410 37 2HA GLY 6 1HA GLY 6 115.357 22.802 22.802 38 H SER 7 H SER 7 115.415 22.530 22.530 39 HA SER 7 HA SER 7 115.101 25.009 25.009 40 1HB SER 7 2HB SER 7 117.501 24.180 24.180 41 2HB SER 7 1HB SER 7 117.296 23.038 23.038 42 HG SER 7 HG SER 7 117.609 24.612 24.612 43 H SER 8 H SER 8 115.815 23.866 23.866 44 HA SER 8 HA SER 8 113.867 21.605 21.605 45 1HB SER 8 2HB SER 8 114.297 23.505 23.505 46 2HB SER 8 1HB SER 8 112.806 22.763 22.763 47 HG SER 8 HG SER 8 112.627 24.290 24.290 48 H MET 9 H MET 9 116.984 21.969 21.969 49 HA MET 9 HA MET 9 117.930 21.155 21.155 50 1HB MET 9 2HB MET 9 118.974 22.157 22.157 51 2HB MET 9 1HB MET 9 119.635 20.525 20.525 52 1HG MET 9 2HG MET 9 120.705 20.959 20.959 53 2HG MET 9 1HG MET 9 119.689 22.361 22.361 54 1HE MET 9 2HE MET 9 122.037 20.626 20.626 55 2HE MET 9 1HE MET 9 123.460 21.622 21.622 56 3HE MET 9 3HE MET 9 122.597 21.741 21.741 57 H GLU 10 H GLU 10 117.148 19.168 19.168 58 HA GLU 10 HA GLU 10 116.780 16.834 16.834 59 1HB GLU 10 2HB GLU 10 119.207 17.421 17.421 60 2HB GLU 10 1HB GLU 10 118.490 15.866 15.866 61 1HG GLU 10 2HG GLU 10 119.650 15.116 15.116 62 2HG GLU 10 1HG GLU 10 118.305 15.801 15.801 63 HA PRO 11 HA PRO 11 114.070 15.704 15.704 64 1HB PRO 11 2HB PRO 11 114.518 13.035 13.035 65 2HB PRO 11 1HB PRO 11 113.700 13.670 13.670 66 1HG PRO 11 2HG PRO 11 116.512 12.764 12.764 67 2HG PRO 11 1HG PRO 11 115.415 12.552 12.552 68 1HD PRO 11 2HD PRO 11 117.402 14.423 14.423 69 2HD PRO 11 1HD PRO 11 115.917 14.598 14.598 70 H SER 12 H SER 12 114.026 15.602 15.602 71 HA SER 12 HA SER 12 116.634 15.748 15.748 72 1HB SER 12 2HB SER 12 114.697 17.281 17.281 73 2HB SER 12 1HB SER 12 113.785 15.906 15.906 74 HG SER 12 HG SER 12 116.093 17.149 17.149 75 H ALA 13 H ALA 13 117.584 13.883 13.883 76 HA ALA 13 HA ALA 13 116.254 11.335 11.335 77 1HB ALA 13 1HB ALA 13 118.856 12.462 12.462 78 2HB ALA 13 3HB ALA 13 118.425 10.765 10.765 79 3HB ALA 13 2HB ALA 13 118.606 11.436 11.436 80 H ASP 14 H ASP 14 116.253 13.969 13.969 81 HA ASP 14 HA ASP 14 115.995 12.447 12.447 82 1HB ASP 14 2HB ASP 14 116.698 14.900 14.900 83 2HB ASP 14 1HB ASP 14 114.973 15.237 15.237 84 H TRP 15 H TRP 15 113.912 12.814 12.814 85 HA TRP 15 HA TRP 15 111.382 13.017 13.017 86 1HB TRP 15 2HB TRP 15 112.226 12.249 12.249 87 2HB TRP 15 1HB TRP 15 110.536 12.358 12.358 88 HD1 TRP 15 HD1 TRP 15 112.514 14.873 14.873 89 HE1 TRP 15 HE1 TRP 15 112.220 17.207 17.207 90 HE3 TRP 15 HE3 TRP 15 110.275 13.583 13.583 91 HZ2 TRP 15 HZ2 TRP 15 111.177 18.374 18.374 92 HZ3 TRP 15 HZ3 TRP 15 109.642 15.326 15.326 93 HH2 TRP 15 HH2 TRP 15 110.090 17.719 17.719 94 H LEU 16 H LEU 16 113.630 10.500 10.500 95 HA LEU 16 HA LEU 16 111.750 8.263 8.263 96 1HB LEU 16 2HB LEU 16 113.804 7.692 7.692 97 2HB LEU 16 1HB LEU 16 114.671 8.816 8.816 98 HG LEU 16 HG LEU 16 114.294 7.265 7.265 99 1HD1 LEU 16 3HD1 LEU 16 113.063 5.603 5.603 100 2HD1 LEU 16 2HD1 LEU 16 113.643 4.888 4.888 101 3HD1 LEU 16 1HD1 LEU 16 112.338 6.070 6.070 102 1HD2 LEU 16 2HD2 LEU 16 116.032 6.912 6.912 103 2HD2 LEU 16 1HD2 LEU 16 116.351 6.554 6.554 104 3HD2 LEU 16 3HD2 LEU 16 115.617 5.330 5.330 105 H ALA 17 H ALA 17 113.895 9.637 9.637 106 HA ALA 17 HA ALA 17 112.742 7.991 7.991 107 1HB ALA 17 1HB ALA 17 114.587 10.399 10.399 108 2HB ALA 17 3HB ALA 17 114.272 9.395 9.395 109 3HB ALA 17 2HB ALA 17 115.083 8.707 8.707 110 H THR 18 H THR 18 112.344 11.339 11.339 111 HA THR 18 HA THR 18 110.835 12.307 12.307 112 HB THR 18 HB THR 18 111.957 13.420 13.420 113 HG1 THR 18 HG1 THR 18 109.626 14.695 14.695 114 1HG2 THR 18 1HG2 THR 18 110.328 12.391 12.391 115 2HG2 THR 18 3HG2 THR 18 109.031 13.276 13.276 116 3HG2 THR 18 2HG2 THR 18 110.297 14.154 14.154 117 H ALA 19 H ALA 19 109.836 10.699 10.699 118 HA ALA 19 HA ALA 19 107.004 10.933 10.933 119 1HB ALA 19 3HB ALA 19 108.887 9.172 9.172 120 2HB ALA 19 2HB ALA 19 107.184 8.727 8.727 121 3HB ALA 19 1HB ALA 19 107.656 10.282 10.282 122 H ALA 20 H ALA 20 109.348 8.386 8.386 123 HA ALA 20 HA ALA 20 107.504 6.593 6.593 124 1HB ALA 20 2HB ALA 20 109.847 6.117 6.117 125 2HB ALA 20 1HB ALA 20 110.434 7.139 7.139 126 3HB ALA 20 3HB ALA 20 109.568 5.649 5.649 127 H ALA 21 H ALA 21 109.717 8.992 8.992 128 HA ALA 21 HA ALA 21 108.893 8.755 8.755 129 1HB ALA 21 1HB ALA 21 110.787 10.085 10.085 130 2HB ALA 21 3HB ALA 21 109.588 11.371 11.371 131 3HB ALA 21 2HB ALA 21 110.068 10.792 10.792 132 H ARG 22 H ARG 22 107.216 10.220 10.220 133 HA ARG 22 HA ARG 22 105.401 11.781 11.781 134 1HB ARG 22 2HB ARG 22 106.133 11.510 11.510 135 2HB ARG 22 1HB ARG 22 104.407 11.774 11.774 136 1HG ARG 22 2HG ARG 22 104.716 13.874 13.874 137 2HG ARG 22 1HG ARG 22 106.299 13.470 13.470 138 1HD ARG 22 2HD ARG 22 107.334 14.328 14.328 139 2HD ARG 22 1HD ARG 22 106.353 13.316 13.316 140 HE ARG 22 HE ARG 22 105.179 15.796 15.796 141 1HH1 ARG 22 2HH1 ARG 22 104.040 13.750 13.750 142 2HH1 ARG 22 1HH1 ARG 22 104.120 14.730 14.730 143 1HH2 ARG 22 1HH2 ARG 22 106.187 17.115 17.115 144 2HH2 ARG 22 2HH2 ARG 22 105.339 16.632 16.632 145 H GLY 23 H GLY 23 105.511 8.737 8.737 146 1HA GLY 23 2HA GLY 23 104.046 6.901 6.901 147 2HA GLY 23 1HA GLY 23 102.883 8.105 8.105 148 H ARG 24 H ARG 24 104.437 8.143 8.143 149 HA ARG 24 HA ARG 24 101.748 7.658 7.658 150 1HB ARG 24 2HB ARG 24 103.139 9.940 9.940 151 2HB ARG 24 1HB ARG 24 103.941 9.165 9.165 152 1HG ARG 24 2HG ARG 24 102.222 9.850 9.850 153 2HG ARG 24 1HG ARG 24 101.207 8.694 8.694 154 1HD ARG 24 2HD ARG 24 100.645 10.408 10.408 155 2HD ARG 24 1HD ARG 24 101.700 11.572 11.572 156 HE ARG 24 HE ARG 24 99.969 10.558 10.558 157 1HH1 ARG 24 2HH1 ARG 24 98.278 10.752 10.752 158 2HH1 ARG 24 1HH1 ARG 24 97.498 12.273 12.273 159 1HH2 ARG 24 1HH2 ARG 24 99.608 13.189 13.189 160 2HH2 ARG 24 2HH2 ARG 24 98.249 13.651 13.651 161 H VAL 25 H VAL 25 101.870 5.524 5.524 162 HA VAL 25 HA VAL 25 104.304 4.266 4.266 163 HB VAL 25 HB VAL 25 101.351 3.582 3.582 164 1HG1 VAL 25 3HG1 VAL 25 102.763 2.453 2.453 165 2HG1 VAL 25 2HG1 VAL 25 103.705 1.732 1.732 166 3HG1 VAL 25 1HG1 VAL 25 101.993 1.344 1.344 167 1HG2 VAL 25 2HG2 VAL 25 102.363 3.719 3.719 168 2HG2 VAL 25 1HG2 VAL 25 101.883 2.074 2.074 169 3HG2 VAL 25 3HG2 VAL 25 103.579 2.544 2.544 170 H GLU 26 H GLU 26 101.275 5.151 5.151 171 HA GLU 26 HA GLU 26 102.018 4.614 4.614 172 1HB GLU 26 2HB GLU 26 100.235 6.544 6.544 173 2HB GLU 26 1HB GLU 26 100.519 6.827 6.827 174 1HG GLU 26 2HG GLU 26 99.870 4.460 4.460 175 2HG GLU 26 1HG GLU 26 99.480 4.266 4.266 176 H GLU 27 H GLU 27 103.114 7.278 7.278 177 HA GLU 27 HA GLU 27 104.166 8.914 8.914 178 1HB GLU 27 2HB GLU 27 103.980 8.871 8.871 179 2HB GLU 27 1HB GLU 27 105.585 9.382 9.382 180 1HG GLU 27 2HG GLU 27 103.061 10.558 10.558 181 2HG GLU 27 1HG GLU 27 103.868 11.248 11.248 182 H VAL 28 H VAL 28 105.580 6.507 6.507 183 HA VAL 28 HA VAL 28 108.232 6.633 6.633 184 HB VAL 28 HB VAL 28 106.950 4.494 4.494 185 1HG1 VAL 28 3HG1 VAL 28 109.637 4.965 4.965 186 2HG1 VAL 28 2HG1 VAL 28 109.620 4.815 4.815 187 3HG1 VAL 28 1HG1 VAL 28 108.966 3.520 3.520 188 1HG2 VAL 28 1HG2 VAL 28 108.179 7.164 7.164 189 2HG2 VAL 28 3HG2 VAL 28 106.647 6.489 6.489 190 3HG2 VAL 28 2HG2 VAL 28 108.173 5.843 5.843 191 H ARG 29 H ARG 29 105.596 4.197 4.197 192 HA ARG 29 HA ARG 29 106.556 2.233 2.233 193 1HB ARG 29 2HB ARG 29 104.118 3.063 3.063 194 2HB ARG 29 1HB ARG 29 103.829 3.093 3.093 195 1HG ARG 29 2HG ARG 29 103.292 0.877 0.877 196 2HG ARG 29 1HG ARG 29 104.706 0.773 0.773 197 1HD ARG 29 2HD ARG 29 106.203 0.654 0.654 198 2HD ARG 29 1HD ARG 29 104.911 1.083 1.083 199 HE ARG 29 HE ARG 29 103.792 -1.083 -1.083 200 1HH1 ARG 29 2HH1 ARG 29 106.688 -1.147 -1.147 201 2HH1 ARG 29 1HH1 ARG 29 107.305 -2.562 -2.562 202 1HH2 ARG 29 1HH2 ARG 29 104.785 -2.667 -2.667 203 2HH2 ARG 29 2HH2 ARG 29 106.232 -3.419 -3.419 204 H ALA 30 H ALA 30 104.908 5.234 5.234 205 HA ALA 30 HA ALA 30 105.382 4.760 4.760 206 1HB ALA 30 2HB ALA 30 104.413 6.996 6.996 207 2HB ALA 30 1HB ALA 30 104.752 7.323 7.323 208 3HB ALA 30 3HB ALA 30 103.542 6.119 6.119 209 H LEU 31 H LEU 31 106.840 6.987 6.987 210 HA LEU 31 HA LEU 31 108.748 8.237 8.237 211 1HB LEU 31 2HB LEU 31 108.478 7.565 7.565 212 2HB LEU 31 1HB LEU 31 110.019 8.212 8.212 213 HG LEU 31 HG LEU 31 107.376 9.531 9.531 214 1HD1 LEU 31 1HD1 LEU 31 108.948 9.528 9.528 215 2HD1 LEU 31 3HD1 LEU 31 108.586 11.138 11.138 216 3HD1 LEU 31 2HD1 LEU 31 107.274 10.011 10.011 217 1HD2 LEU 31 1HD2 LEU 31 110.011 9.895 9.895 218 2HD2 LEU 31 3HD2 LEU 31 108.656 10.999 10.999 219 3HD2 LEU 31 2HD2 LEU 31 109.746 11.207 11.207 220 H LEU 32 H LEU 32 109.812 5.839 5.839 221 HA LEU 32 HA LEU 32 112.278 5.166 5.166 222 1HB LEU 32 2HB LEU 32 110.631 4.334 4.334 223 2HB LEU 32 1HB LEU 32 110.699 2.889 2.889 224 HG LEU 32 HG LEU 32 113.203 4.393 4.393 225 1HD1 LEU 32 2HD1 LEU 32 111.682 3.527 3.527 226 2HD1 LEU 32 1HD1 LEU 32 112.312 1.952 1.952 227 3HD1 LEU 32 3HD1 LEU 32 113.419 3.228 3.228 228 1HD2 LEU 32 3HD2 LEU 32 112.485 1.915 1.915 229 2HD2 LEU 32 2HD2 LEU 32 113.982 2.846 2.846 230 3HD2 LEU 32 1HD2 LEU 32 113.715 1.685 1.685 231 H GLU 33 H GLU 33 109.215 3.478 3.478 232 HA GLU 33 HA GLU 33 110.420 1.712 1.712 233 1HB GLU 33 2HB GLU 33 108.174 1.627 1.627 234 2HB GLU 33 1HB GLU 33 107.546 2.623 2.623 235 1HG GLU 33 2HG GLU 33 108.329 0.909 0.909 236 2HG GLU 33 1HG GLU 33 108.844 -0.103 -0.103 237 H ALA 34 H ALA 34 109.770 5.071 5.071 238 HA ALA 34 HA ALA 34 109.389 5.024 5.024 239 1HB ALA 34 1HB ALA 34 109.082 7.091 7.091 240 2HB ALA 34 3HB ALA 34 108.968 7.508 7.508 241 3HB ALA 34 2HB ALA 34 107.818 6.375 6.375 242 H GLY 35 H GLY 35 111.782 5.823 5.823 243 1HA GLY 35 2HA GLY 35 114.002 5.861 5.861 244 2HA GLY 35 1HA GLY 35 113.376 7.501 7.501 245 H ALA 36 H ALA 36 112.383 7.441 7.441 246 HA ALA 36 HA ALA 36 114.365 8.775 8.775 247 1HB ALA 36 3HB ALA 36 112.051 7.087 7.087 248 2HB ALA 36 2HB ALA 36 113.213 7.272 7.272 249 3HB ALA 36 1HB ALA 36 112.470 8.696 8.696 250 H LEU 37 H LEU 37 116.238 8.246 8.246 251 HA LEU 37 HA LEU 37 117.743 5.957 5.957 252 1HB LEU 37 2HB LEU 37 117.880 8.252 8.252 253 2HB LEU 37 1HB LEU 37 118.581 6.836 6.836 254 HG LEU 37 HG LEU 37 119.577 6.660 6.660 255 1HD1 LEU 37 3HD1 LEU 37 118.661 8.969 8.969 256 2HD1 LEU 37 2HD1 LEU 37 119.729 9.561 9.561 257 3HD1 LEU 37 1HD1 LEU 37 120.411 8.852 8.852 258 1HD2 LEU 37 3HD2 LEU 37 120.798 8.002 8.002 259 2HD2 LEU 37 2HD2 LEU 37 120.822 6.273 6.273 260 3HD2 LEU 37 1HD2 LEU 37 121.705 7.393 7.393 261 HA PRO 38 HA PRO 38 116.116 2.761 2.761 262 1HB PRO 38 2HB PRO 38 118.355 1.236 1.236 263 2HB PRO 38 1HB PRO 38 117.497 1.309 1.309 264 1HG PRO 38 2HG PRO 38 119.988 2.696 2.696 265 2HG PRO 38 1HG PRO 38 119.575 1.977 1.977 266 1HD PRO 38 2HD PRO 38 119.475 4.658 4.658 267 2HD PRO 38 1HD PRO 38 118.464 3.845 3.845 268 H ASN 39 H ASN 39 119.176 4.234 4.234 269 HA ASN 39 HA ASN 39 118.282 3.950 3.950 270 1HB ASN 39 2HB ASN 39 121.083 3.995 3.995 271 2HB ASN 39 1HB ASN 39 120.683 3.757 3.757 272 1HD2 ASN 39 1HD2 ASN 39 120.399 1.620 1.620 273 2HD2 ASN 39 2HD2 ASN 39 120.141 0.312 0.312 274 H ALA 40 H ALA 40 120.736 5.811 5.811 275 HA ALA 40 HA ALA 40 121.222 8.120 8.120 276 1HB ALA 40 2HB ALA 40 118.490 7.763 7.763 277 2HB ALA 40 1HB ALA 40 118.591 8.915 8.915 278 3HB ALA 40 3HB ALA 40 119.341 9.291 9.291 279 HA PRO 41 HA PRO 41 122.269 9.051 9.051 280 1HB PRO 41 2HB PRO 41 122.822 11.725 11.725 281 2HB PRO 41 1HB PRO 41 123.897 10.468 10.468 282 1HG PRO 41 2HG PRO 41 121.943 12.200 12.200 283 2HG PRO 41 1HG PRO 41 123.544 11.645 11.645 284 1HD PRO 41 2HD PRO 41 121.201 10.548 10.548 285 2HD PRO 41 1HD PRO 41 122.741 9.665 9.665 286 H ASN 42 H ASN 42 121.671 10.825 10.825 287 HA ASN 42 HA ASN 42 118.873 11.802 11.802 288 1HB ASN 42 2HB ASN 42 119.812 9.567 9.567 289 2HB ASN 42 1HB ASN 42 119.122 10.790 10.790 290 1HD2 ASN 42 1HD2 ASN 42 118.372 8.469 8.469 291 2HD2 ASN 42 2HD2 ASN 42 116.687 8.677 8.677 292 H SER 43 H SER 43 118.312 13.539 13.539 293 HA SER 43 HA SER 43 120.606 15.202 15.202 294 1HB SER 43 2HB SER 43 117.593 15.454 15.454 295 2HB SER 43 1HB SER 43 118.630 16.704 16.704 296 HG SER 43 HG SER 43 118.432 15.787 15.787 297 H TYR 44 H TYR 44 118.830 12.733 12.733 298 HA TYR 44 HA TYR 44 119.365 13.842 13.842 299 1HB TYR 44 2HB TYR 44 117.531 11.547 11.547 300 2HB TYR 44 1HB TYR 44 117.493 12.551 12.551 301 HD1 TYR 44 HD2 TYR 44 117.690 15.273 15.273 302 HD2 TYR 44 HD1 TYR 44 115.515 11.908 11.908 303 HE1 TYR 44 HE2 TYR 44 116.097 16.814 16.814 304 HE2 TYR 44 HE1 TYR 44 113.920 13.451 13.451 305 HH TYR 44 HH TYR 44 113.230 15.604 15.604 306 H GLY 45 H GLY 45 121.048 12.105 12.105 307 1HA GLY 45 2HA GLY 45 122.592 10.350 10.350 308 2HA GLY 45 1HA GLY 45 122.591 10.691 10.691 309 H ARG 46 H ARG 46 119.588 9.834 9.834 310 HA ARG 46 HA ARG 46 119.698 7.191 7.191 311 1HB ARG 46 2HB ARG 46 117.647 9.305 9.305 312 2HB ARG 46 1HB ARG 46 117.073 7.637 7.637 313 1HG ARG 46 2HG ARG 46 118.248 7.328 7.328 314 2HG ARG 46 1HG ARG 46 118.698 9.031 9.031 315 1HD ARG 46 2HD ARG 46 116.178 9.530 9.530 316 2HD ARG 46 1HD ARG 46 115.930 7.841 7.841 317 HE ARG 46 HE ARG 46 117.834 9.252 9.252 318 1HH1 ARG 46 1HH2 ARG 46 114.729 10.154 10.154 319 2HH1 ARG 46 2HH2 ARG 46 114.120 9.721 9.721 320 1HH2 ARG 46 2HH1 ARG 46 116.979 7.983 7.983 321 2HH2 ARG 46 1HH1 ARG 46 115.393 8.482 8.482 322 H ARG 47 H ARG 47 118.120 5.565 5.565 323 HA ARG 47 HA ARG 47 119.001 5.312 5.312 324 1HB ARG 47 2HB ARG 47 117.209 3.530 3.530 325 2HB ARG 47 1HB ARG 47 118.119 3.062 3.062 326 1HG ARG 47 2HG ARG 47 119.240 3.867 3.867 327 2HG ARG 47 1HG ARG 47 119.345 2.284 2.284 328 1HD ARG 47 2HD ARG 47 121.374 2.997 2.997 329 2HD ARG 47 1HD ARG 47 120.441 3.972 3.972 330 HE ARG 47 HE ARG 47 120.650 5.252 5.252 331 1HH1 ARG 47 1HH2 ARG 47 121.334 5.503 5.503 332 2HH1 ARG 47 2HH2 ARG 47 122.685 6.569 6.569 333 1HH2 ARG 47 2HH1 ARG 47 122.774 6.288 6.288 334 2HH2 ARG 47 1HH1 ARG 47 123.497 7.015 7.015 335 HA PRO 48 HA PRO 48 115.275 6.614 6.614 336 1HB PRO 48 2HB PRO 48 114.869 4.716 4.716 337 2HB PRO 48 1HB PRO 48 116.132 5.957 5.957 338 1HG PRO 48 2HG PRO 48 116.360 3.103 3.103 339 2HG PRO 48 1HG PRO 48 117.448 4.078 4.078 340 1HD PRO 48 2HD PRO 48 117.942 3.537 3.537 341 2HD PRO 48 1HD PRO 48 118.477 5.036 5.036 342 H ILE 49 H ILE 49 115.439 3.582 3.582 343 HA ILE 49 HA ILE 49 112.462 3.284 3.284 344 HB ILE 49 HB ILE 49 114.805 1.417 1.417 345 1HG1 ILE 49 2HG1 ILE 49 112.206 1.367 1.367 346 2HG1 ILE 49 1HG1 ILE 49 113.808 1.716 1.716 347 1HG2 ILE 49 1HG2 ILE 49 112.185 1.222 1.222 348 2HG2 ILE 49 3HG2 ILE 49 112.692 -0.230 -0.230 349 3HG2 ILE 49 2HG2 ILE 49 113.722 0.454 0.454 350 1HD1 ILE 49 2HD1 ILE 49 113.044 -0.902 -0.902 351 2HD1 ILE 49 1HD1 ILE 49 113.043 -0.641 -0.641 352 3HD1 ILE 49 3HD1 ILE 49 114.554 -0.544 -0.544 353 H GLN 50 H GLN 50 115.307 3.507 3.507 354 HA GLN 50 HA GLN 50 114.034 3.173 3.173 355 1HB GLN 50 2HB GLN 50 116.384 3.241 3.241 356 2HB GLN 50 1HB GLN 50 116.439 4.640 4.640 357 1HG GLN 50 2HG GLN 50 116.255 6.126 6.126 358 2HG GLN 50 1HG GLN 50 115.119 5.108 5.108 359 1HE2 GLN 50 1HE2 GLN 50 118.617 5.195 5.195 360 2HE2 GLN 50 2HE2 GLN 50 119.151 4.468 4.468 361 H VAL 51 H VAL 51 113.884 5.747 5.747 362 HA VAL 51 HA VAL 51 112.433 7.484 7.484 363 HB VAL 51 HB VAL 51 114.556 8.353 8.353 364 1HG1 VAL 51 3HG1 VAL 51 113.934 7.063 7.063 365 2HG1 VAL 51 2HG1 VAL 51 113.230 8.625 8.625 366 3HG1 VAL 51 1HG1 VAL 51 114.944 8.508 8.508 367 1HG2 VAL 51 2HG2 VAL 51 111.996 9.626 9.626 368 2HG2 VAL 51 1HG2 VAL 51 113.585 10.373 10.373 369 3HG2 VAL 51 3HG2 VAL 51 112.864 10.204 10.204 370 H MET 52 H MET 52 111.246 5.222 5.222 371 HA MET 52 HA MET 52 109.573 6.697 6.697 372 1HB MET 52 2HB MET 52 108.869 4.424 4.424 373 2HB MET 52 1HB MET 52 110.627 4.546 4.546 374 1HG MET 52 2HG MET 52 110.646 2.768 2.768 375 2HG MET 52 1HG MET 52 109.895 3.782 3.782 376 1HE MET 52 2HE MET 52 110.053 0.775 0.775 377 2HE MET 52 1HE MET 52 108.941 0.762 0.762 378 3HE MET 52 3HE MET 52 108.485 -0.010 -0.010 379 H MET 53 H MET 53 109.286 7.168 7.168 380 HA MET 53 HA MET 53 107.470 7.605 7.605 381 1HB MET 53 2HB MET 53 106.359 7.382 7.382 382 2HB MET 53 1HB MET 53 105.532 6.078 6.078 383 1HG MET 53 2HG MET 53 105.749 8.620 8.620 384 2HG MET 53 1HG MET 53 104.726 8.683 8.683 385 1HE MET 53 2HE MET 53 103.701 6.489 6.489 386 2HE MET 53 1HE MET 53 102.878 5.357 5.357 387 3HE MET 53 3HE MET 53 102.119 6.900 6.900 388 H MET 54 H MET 54 108.342 4.431 4.431 389 HA MET 54 HA MET 54 108.123 2.315 2.315 390 1HB MET 54 2HB MET 54 108.406 4.427 4.427 391 2HB MET 54 1HB MET 54 107.903 2.840 2.840 392 1HG MET 54 2HG MET 54 110.402 3.167 3.167 393 2HG MET 54 1HG MET 54 109.841 1.785 1.785 394 1HE MET 54 2HE MET 54 110.322 1.217 1.217 395 2HE MET 54 1HE MET 54 110.776 2.082 2.082 396 3HE MET 54 3HE MET 54 111.995 1.708 1.708 397 H GLY 55 H GLY 55 105.626 3.873 3.873 398 1HA GLY 55 2HA GLY 55 103.703 2.352 2.352 399 2HA GLY 55 1HA GLY 55 103.353 3.990 3.990 400 H SER 56 H SER 56 105.078 2.076 2.076 401 HA SER 56 HA SER 56 102.680 0.966 0.966 402 1HB SER 56 2HB SER 56 103.733 3.579 3.579 403 2HB SER 56 1HB SER 56 103.986 2.537 2.537 404 HG SER 56 HG SER 56 101.857 2.247 2.247 405 H ALA 57 H ALA 57 103.800 -1.048 -1.048 406 HA ALA 57 HA ALA 57 106.496 -1.584 -1.584 407 1HB ALA 57 2HB ALA 57 103.911 -3.153 -3.153 408 2HB ALA 57 1HB ALA 57 105.454 -3.898 -3.898 409 3HB ALA 57 3HB ALA 57 105.198 -3.251 -3.251 410 H ARG 58 H ARG 58 103.740 -0.875 -0.875 411 HA ARG 58 HA ARG 58 104.488 -2.052 -2.052 412 1HB ARG 58 2HB ARG 58 102.876 0.274 0.274 413 2HB ARG 58 1HB ARG 58 103.235 0.201 0.201 414 1HG ARG 58 2HG ARG 58 102.419 -2.406 -2.406 415 2HG ARG 58 1HG ARG 58 101.204 -1.192 -1.192 416 1HD ARG 58 2HD ARG 58 100.593 -0.928 -0.928 417 2HD ARG 58 1HD ARG 58 102.279 -0.943 -0.943 418 HE ARG 58 HE ARG 58 102.114 -3.288 -3.288 419 1HH1 ARG 58 2HH1 ARG 58 99.079 -2.573 -2.573 420 2HH1 ARG 58 1HH1 ARG 58 98.422 -3.833 -3.833 421 1HH2 ARG 58 1HH2 ARG 58 101.480 -4.699 -4.699 422 2HH2 ARG 58 2HH2 ARG 58 99.782 -5.036 -5.036 423 H VAL 59 H VAL 59 105.459 1.057 1.057 424 HA VAL 59 HA VAL 59 106.853 2.208 2.208 425 HB VAL 59 HB VAL 59 107.781 2.235 2.235 426 1HG1 VAL 59 3HG1 VAL 59 108.348 3.750 3.750 427 2HG1 VAL 59 2HG1 VAL 59 107.856 4.788 4.788 428 3HG1 VAL 59 1HG1 VAL 59 109.233 3.704 3.704 429 1HG2 VAL 59 1HG2 VAL 59 105.201 2.998 2.998 430 2HG2 VAL 59 3HG2 VAL 59 105.783 3.082 3.082 431 3HG2 VAL 59 2HG2 VAL 59 106.059 4.432 4.432 432 H ALA 60 H ALA 60 108.431 0.421 0.421 433 HA ALA 60 HA ALA 60 110.938 0.039 0.039 434 1HB ALA 60 3HB ALA 60 110.158 -0.448 -0.448 435 2HB ALA 60 2HB ALA 60 109.459 -1.945 -1.945 436 3HB ALA 60 1HB ALA 60 111.203 -1.684 -1.684 437 H GLU 61 H GLU 61 107.932 -1.786 -1.786 438 HA GLU 61 HA GLU 61 108.762 -4.119 -4.119 439 1HB GLU 61 2HB GLU 61 106.423 -2.995 -2.995 440 2HB GLU 61 1HB GLU 61 106.532 -2.475 -2.475 441 1HG GLU 61 2HG GLU 61 106.901 -4.832 -4.832 442 2HG GLU 61 1HG GLU 61 106.716 -5.332 -5.332 443 H LEU 62 H LEU 62 108.430 -0.878 -0.878 444 HA LEU 62 HA LEU 62 109.388 -1.774 -1.774 445 1HB LEU 62 2HB LEU 62 107.894 -0.042 -0.042 446 2HB LEU 62 1HB LEU 62 108.335 0.662 0.662 447 HG LEU 62 HG LEU 62 110.464 1.443 1.443 448 1HD1 LEU 62 2HD1 LEU 62 110.037 -0.443 -0.443 449 2HD1 LEU 62 1HD1 LEU 62 109.452 0.990 0.990 450 3HD1 LEU 62 3HD1 LEU 62 111.105 0.939 0.939 451 1HD2 LEU 62 3HD2 LEU 62 107.912 2.491 2.491 452 2HD2 LEU 62 2HD2 LEU 62 109.422 3.355 3.355 453 3HD2 LEU 62 1HD2 LEU 62 108.593 2.577 2.577 454 H LEU 63 H LEU 63 110.592 0.104 0.104 455 HA LEU 63 HA LEU 63 113.148 0.799 0.799 456 1HB LEU 63 2HB LEU 63 111.689 0.831 0.831 457 2HB LEU 63 1HB LEU 63 113.418 0.579 0.579 458 HG LEU 63 HG LEU 63 112.530 2.692 2.692 459 1HD1 LEU 63 3HD1 LEU 63 112.097 2.701 2.701 460 2HD1 LEU 63 2HD1 LEU 63 112.808 4.159 4.159 461 3HD1 LEU 63 1HD1 LEU 63 111.244 3.580 3.580 462 1HD2 LEU 63 2HD2 LEU 63 114.947 1.889 1.889 463 2HD2 LEU 63 1HD2 LEU 63 114.638 3.624 3.624 464 3HD2 LEU 63 3HD2 LEU 63 114.740 2.790 2.790 465 H LEU 64 H LEU 64 112.437 -1.692 -1.692 466 HA LEU 64 HA LEU 64 114.885 -3.049 -3.049 467 1HB LEU 64 2HB LEU 64 112.124 -3.491 -3.491 468 2HB LEU 64 1HB LEU 64 112.818 -4.990 -4.990 469 HG LEU 64 HG LEU 64 114.541 -3.432 -3.432 470 1HD1 LEU 64 2HD1 LEU 64 111.815 -3.960 -3.960 471 2HD1 LEU 64 1HD1 LEU 64 112.830 -5.057 -5.057 472 3HD1 LEU 64 3HD1 LEU 64 113.093 -3.316 -3.316 473 1HD2 LEU 64 1HD2 LEU 64 115.153 -5.643 -5.643 474 2HD2 LEU 64 3HD2 LEU 64 115.051 -5.701 -5.701 475 3HD2 LEU 64 2HD2 LEU 64 113.740 -6.357 -6.357 476 H LEU 65 H LEU 65 112.128 -3.560 -3.560 477 HA LEU 65 HA LEU 65 113.175 -5.726 -5.726 478 1HB LEU 65 2HB LEU 65 110.953 -5.304 -5.304 479 2HB LEU 65 1HB LEU 65 111.153 -3.563 -3.563 480 HG LEU 65 HG LEU 65 112.253 -3.470 -3.470 481 1HD1 LEU 65 1HD1 LEU 65 112.492 -6.288 -6.288 482 2HD1 LEU 65 3HD1 LEU 65 111.532 -6.042 -6.042 483 3HD1 LEU 65 2HD1 LEU 65 113.141 -5.332 -5.332 484 1HD2 LEU 65 2HD2 LEU 65 109.631 -3.591 -3.591 485 2HD2 LEU 65 1HD2 LEU 65 110.265 -3.533 -3.533 486 3HD2 LEU 65 3HD2 LEU 65 109.774 -5.074 -5.074 487 H HIS 66 H HIS 66 113.501 -2.208 -2.208 488 HA HIS 66 HA HIS 66 115.212 -2.444 -2.444 489 1HB HIS 66 2HB HIS 66 113.870 -0.436 -0.436 490 2HB HIS 66 1HB HIS 66 115.337 0.104 0.104 491 HD1 HIS 66 HD1 HIS 66 111.850 -1.003 -1.003 492 HD2 HIS 66 HD2 HIS 66 115.203 0.149 0.149 493 HE1 HIS 66 HE1 HIS 66 111.053 -0.599 -0.599 494 H GLY 67 H GLY 67 115.757 -3.030 -3.030 495 1HA GLY 67 2HA GLY 67 117.809 -3.501 -3.501 496 2HA GLY 67 1HA GLY 67 118.626 -2.751 -2.751 497 H ALA 68 H ALA 68 116.332 -1.666 -1.666 498 HA ALA 68 HA ALA 68 117.364 1.031 1.031 499 1HB ALA 68 1HB ALA 68 115.139 -0.051 -0.051 500 2HB ALA 68 3HB ALA 68 116.054 -0.406 -0.406 501 3HB ALA 68 2HB ALA 68 115.836 1.264 1.264 502 H GLU 69 H GLU 69 117.660 1.100 1.100 503 HA GLU 69 HA GLU 69 120.410 -0.083 -0.083 504 1HB GLU 69 2HB GLU 69 119.471 2.559 2.559 505 2HB GLU 69 1HB GLU 69 119.774 2.064 2.064 506 1HG GLU 69 2HG GLU 69 121.967 2.433 2.433 507 2HG GLU 69 1HG GLU 69 121.964 1.093 1.093 508 HA PRO 70 HA PRO 70 117.435 -1.722 -1.722 509 1HB PRO 70 2HB PRO 70 117.378 -4.342 -4.342 510 2HB PRO 70 1HB PRO 70 116.211 -3.140 -3.140 511 1HG PRO 70 2HG PRO 70 118.660 -4.201 -4.201 512 2HG PRO 70 1HG PRO 70 117.060 -3.868 -3.868 513 1HD PRO 70 2HD PRO 70 119.154 -2.190 -2.190 514 2HD PRO 70 1HD PRO 70 117.472 -1.624 -1.624 515 H ASN 71 H ASN 71 120.333 -2.984 -2.984 516 HA ASN 71 HA ASN 71 121.261 -4.449 -4.449 517 1HB ASN 71 2HB ASN 71 121.853 -4.180 -4.180 518 2HB ASN 71 1HB ASN 71 123.334 -4.062 -4.062 519 1HD2 ASN 71 1HD2 ASN 71 123.776 -5.895 -5.895 520 2HD2 ASN 71 2HD2 ASN 71 123.147 -7.433 -7.433 521 H CYS 72 H CYS 72 123.027 -2.031 -2.031 522 HA CYS 72 HA CYS 72 124.718 -1.074 -1.074 523 1HB CYS 72 2HB CYS 72 124.321 -0.631 -0.631 524 2HB CYS 72 1HB CYS 72 123.583 0.840 0.840 525 HG CYS 72 HG CYS 72 125.981 1.587 1.587 526 H ALA 73 H ALA 73 124.614 1.081 1.081 527 HA ALA 73 HA ALA 73 121.920 2.199 2.199 528 1HB ALA 73 1HB ALA 73 123.610 0.809 0.809 529 2HB ALA 73 3HB ALA 73 122.134 1.708 1.708 530 3HB ALA 73 2HB ALA 73 122.069 0.241 0.241 531 H ASP 74 H ASP 74 123.528 3.017 3.017 532 HA ASP 74 HA ASP 74 124.822 5.391 5.391 533 1HB ASP 74 2HB ASP 74 123.116 4.880 4.880 534 2HB ASP 74 1HB ASP 74 124.476 5.955 5.955 535 HA PRO 75 HA PRO 75 128.607 3.618 3.618 536 1HB PRO 75 2HB PRO 75 130.236 5.774 5.774 537 2HB PRO 75 1HB PRO 75 129.706 4.671 4.671 538 1HG PRO 75 2HG PRO 75 128.671 7.366 7.366 539 2HG PRO 75 1HG PRO 75 128.910 6.642 6.642 540 1HD PRO 75 2HD PRO 75 126.477 6.824 6.824 541 2HD PRO 75 1HD PRO 75 126.900 5.546 5.546 542 H ALA 76 H ALA 76 126.906 6.293 6.293 543 HA ALA 76 HA ALA 76 128.793 6.850 6.850 544 1HB ALA 76 1HB ALA 76 125.984 7.761 7.761 545 2HB ALA 76 3HB ALA 76 126.924 8.395 8.395 546 3HB ALA 76 2HB ALA 76 127.480 8.643 8.643 547 H THR 77 H THR 77 125.301 6.165 6.165 548 HA THR 77 HA THR 77 125.853 4.514 4.514 549 HB THR 77 HB THR 77 123.070 5.036 5.036 550 HG1 THR 77 HG1 THR 77 123.212 7.043 7.043 551 1HG2 THR 77 3HG2 THR 77 124.793 4.940 4.940 552 2HG2 THR 77 2HG2 THR 77 123.920 6.471 6.471 553 3HG2 THR 77 1HG2 THR 77 123.031 4.949 4.949 554 H LEU 78 H LEU 78 125.722 3.863 3.863 555 HA LEU 78 HA LEU 78 125.070 1.991 1.991 556 1HB LEU 78 2HB LEU 78 125.902 1.197 1.197 557 2HB LEU 78 1HB LEU 78 124.780 0.030 0.030 558 HG LEU 78 HG LEU 78 127.364 1.018 1.018 559 1HD1 LEU 78 2HD1 LEU 78 127.500 -0.707 -0.707 560 2HD1 LEU 78 1HD1 LEU 78 126.502 -1.767 -1.767 561 3HD1 LEU 78 3HD1 LEU 78 128.099 -1.273 -1.273 562 1HD2 LEU 78 3HD2 LEU 78 124.979 -0.347 -0.347 563 2HD2 LEU 78 2HD2 LEU 78 126.194 0.644 0.644 564 3HD2 LEU 78 1HD2 LEU 78 126.537 -1.048 -1.048 565 H THR 79 H THR 79 122.901 3.704 3.704 566 HA THR 79 HA THR 79 120.702 2.267 2.267 567 HB THR 79 HB THR 79 120.291 4.389 4.389 568 HG1 THR 79 HG1 THR 79 121.112 5.936 5.936 569 1HG2 THR 79 1HG2 THR 79 119.139 3.516 3.516 570 2HG2 THR 79 3HG2 THR 79 119.065 5.239 5.239 571 3HG2 THR 79 2HG2 THR 79 118.324 4.070 4.070 572 H ARG 80 H ARG 80 120.442 0.223 0.223 573 HA ARG 80 HA ARG 80 120.378 -0.164 -0.164 574 1HB ARG 80 2HB ARG 80 120.731 -1.722 -1.722 575 2HB ARG 80 1HB ARG 80 119.019 -2.025 -2.025 576 1HG ARG 80 2HG ARG 80 120.496 -3.661 -3.661 577 2HG ARG 80 1HG ARG 80 119.460 -2.758 -2.758 578 1HD ARG 80 2HD ARG 80 121.238 -1.525 -1.525 579 2HD ARG 80 1HD ARG 80 122.203 -1.683 -1.683 580 HE ARG 80 HE ARG 80 121.630 -4.191 -4.191 581 1HH1 ARG 80 2HH1 ARG 80 123.740 -1.470 -1.470 582 2HH1 ARG 80 1HH1 ARG 80 125.176 -2.396 -2.396 583 1HH2 ARG 80 1HH2 ARG 80 123.530 -5.444 -5.444 584 2HH2 ARG 80 2HH2 ARG 80 125.058 -4.636 -4.636 585 HA PRO 81 HA PRO 81 116.182 1.001 1.001 586 1HB PRO 81 2HB PRO 81 115.649 -0.601 -0.601 587 2HB PRO 81 1HB PRO 81 116.625 0.879 0.879 588 1HG PRO 81 2HG PRO 81 117.505 -1.962 -1.962 589 2HG PRO 81 1HG PRO 81 118.157 -0.628 -0.628 590 1HD PRO 81 2HD PRO 81 119.329 -1.486 -1.486 591 2HD PRO 81 1HD PRO 81 119.407 0.202 0.202 592 H VAL 82 H VAL 82 117.242 -2.168 -2.168 593 HA VAL 82 HA VAL 82 114.750 -3.594 -3.594 594 HB VAL 82 HB VAL 82 117.315 -3.789 -3.789 595 1HG1 VAL 82 1HG1 VAL 82 115.022 -4.991 -4.991 596 2HG1 VAL 82 3HG1 VAL 82 115.565 -6.156 -6.156 597 3HG1 VAL 82 2HG1 VAL 82 116.592 -5.772 -5.772 598 1HG2 VAL 82 2HG2 VAL 82 116.995 -4.102 -4.102 599 2HG2 VAL 82 1HG2 VAL 82 118.178 -5.000 -5.000 600 3HG2 VAL 82 3HG2 VAL 82 116.625 -5.736 -5.736 601 H HIS 83 H HIS 83 116.320 -1.314 -1.314 602 HA HIS 83 HA HIS 83 114.633 -1.752 -1.752 603 1HB HIS 83 2HB HIS 83 116.190 0.675 0.675 604 2HB HIS 83 1HB HIS 83 115.544 0.477 0.477 605 HD2 HIS 83 HD2 HIS 83 117.483 -0.585 -0.585 606 HE1 HIS 83 HE1 HIS 83 119.655 -2.751 -2.751 607 HE2 HIS 83 HE2 HIS 83 119.515 -2.120 -2.120 608 H ASP 84 H ASP 84 114.535 0.450 0.450 609 HA ASP 84 HA ASP 84 112.361 2.109 2.109 610 1HB ASP 84 2HB ASP 84 113.563 0.945 0.945 611 2HB ASP 84 1HB ASP 84 112.058 1.840 1.840 612 H ALA 85 H ALA 85 112.236 -1.030 -1.030 613 HA ALA 85 HA ALA 85 109.445 -1.236 -1.236 614 1HB ALA 85 1HB ALA 85 111.604 -2.733 -2.733 615 2HB ALA 85 3HB ALA 85 111.024 -3.641 -3.641 616 3HB ALA 85 2HB ALA 85 109.978 -3.414 -3.414 617 H ALA 86 H ALA 86 111.279 -2.890 -2.890 618 HA ALA 86 HA ALA 86 109.062 -3.515 -3.515 619 1HB ALA 86 3HB ALA 86 111.652 -4.131 -4.131 620 2HB ALA 86 2HB ALA 86 111.737 -2.842 -2.842 621 3HB ALA 86 1HB ALA 86 110.718 -4.251 -4.251 622 H ARG 87 H ARG 87 110.909 -0.519 -0.519 623 HA ARG 87 HA ARG 87 110.306 0.772 0.772 624 1HB ARG 87 2HB ARG 87 111.221 1.423 1.423 625 2HB ARG 87 1HB ARG 87 110.108 2.671 2.671 626 1HG ARG 87 2HG ARG 87 111.802 1.994 1.994 627 2HG ARG 87 1HG ARG 87 112.830 2.243 2.243 628 1HD ARG 87 2HD ARG 87 112.362 4.355 4.355 629 2HD ARG 87 1HD ARG 87 111.862 4.454 4.454 630 HE ARG 87 HE ARG 87 109.723 3.395 3.395 631 1HH1 ARG 87 2HH1 ARG 87 111.461 6.252 6.252 632 2HH1 ARG 87 1HH1 ARG 87 110.105 7.307 7.307 633 1HH2 ARG 87 1HH2 ARG 87 107.934 4.763 4.763 634 2HH2 ARG 87 2HH2 ARG 87 108.109 6.464 6.464 635 H GLU 88 H GLU 88 108.359 0.813 0.813 636 HA GLU 88 HA GLU 88 106.110 2.050 2.050 637 1HB GLU 88 2HB GLU 88 107.118 2.544 2.544 638 2HB GLU 88 1HB GLU 88 105.984 1.274 1.274 639 1HG GLU 88 2HG GLU 88 104.578 3.100 3.100 640 2HG GLU 88 1HG GLU 88 104.335 2.698 2.698 641 H GLY 89 H GLY 89 107.205 -1.036 -1.036 642 1HA GLY 89 2HA GLY 89 106.145 -3.100 -3.100 643 2HA GLY 89 1HA GLY 89 104.643 -2.214 -2.214 644 H PHE 90 H PHE 90 106.628 -2.062 -2.062 645 HA PHE 90 HA PHE 90 104.259 -3.027 -3.027 646 1HB PHE 90 2HB PHE 90 105.880 -0.828 -0.828 647 2HB PHE 90 1HB PHE 90 106.611 -1.929 -1.929 648 HD1 PHE 90 HD2 PHE 90 104.925 -3.219 -3.219 649 HD2 PHE 90 HD1 PHE 90 104.023 0.432 0.432 650 HE1 PHE 90 HE2 PHE 90 103.079 -2.773 -2.773 651 HE2 PHE 90 HE1 PHE 90 102.173 0.874 0.874 652 HZ PHE 90 HZ PHE 90 101.708 -0.725 -0.725 653 H LEU 91 H LEU 91 104.745 -5.328 -5.328 654 HA LEU 91 HA LEU 91 107.193 -6.644 -6.644 655 1HB LEU 91 2HB LEU 91 104.531 -7.267 -7.267 656 2HB LEU 91 1HB LEU 91 104.910 -8.283 -8.283 657 HG LEU 91 HG LEU 91 106.997 -8.016 -8.016 658 1HD1 LEU 91 1HD1 LEU 91 104.489 -9.695 -9.695 659 2HD1 LEU 91 3HD1 LEU 91 105.925 -9.860 -9.860 660 3HD1 LEU 91 2HD1 LEU 91 104.981 -8.371 -8.371 661 1HD2 LEU 91 1HD2 LEU 91 106.833 -9.432 -9.432 662 2HD2 LEU 91 3HD2 LEU 91 107.754 -9.991 -9.991 663 3HD2 LEU 91 2HD2 LEU 91 106.125 -10.605 -10.605 664 H ASP 92 H ASP 92 104.409 -5.878 -5.878 665 HA ASP 92 HA ASP 92 104.980 -7.304 -7.304 666 1HB ASP 92 2HB ASP 92 104.062 -4.436 -4.436 667 2HB ASP 92 1HB ASP 92 103.894 -5.352 -5.352 668 H THR 93 H THR 93 106.527 -4.335 -4.335 669 HA THR 93 HA THR 93 108.149 -3.796 -3.796 670 HB THR 93 HB THR 93 108.468 -3.223 -3.223 671 HG1 THR 93 HG1 THR 93 106.681 -2.238 -2.238 672 1HG2 THR 93 3HG2 THR 93 110.624 -3.031 -3.031 673 2HG2 THR 93 2HG2 THR 93 109.865 -1.931 -1.931 674 3HG2 THR 93 1HG2 THR 93 110.031 -1.461 -1.461 675 H LEU 94 H LEU 94 108.815 -5.600 -5.600 676 HA LEU 94 HA LEU 94 111.500 -6.364 -6.364 677 1HB LEU 94 2HB LEU 94 109.331 -7.595 -7.595 678 2HB LEU 94 1HB LEU 94 111.018 -8.111 -8.111 679 HG LEU 94 HG LEU 94 111.048 -5.284 -5.284 680 1HD1 LEU 94 2HD1 LEU 94 109.055 -6.576 -6.576 681 2HD1 LEU 94 1HD1 LEU 94 109.682 -4.935 -4.935 682 3HD1 LEU 94 3HD1 LEU 94 108.690 -5.367 -5.367 683 1HD2 LEU 94 2HD2 LEU 94 112.456 -7.240 -7.240 684 2HD2 LEU 94 1HD2 LEU 94 112.307 -5.697 -5.697 685 3HD2 LEU 94 3HD2 LEU 94 111.308 -7.067 -7.067 686 H VAL 95 H VAL 95 108.381 -8.071 -8.071 687 HA VAL 95 HA VAL 95 109.283 -10.505 -10.505 688 HB VAL 95 HB VAL 95 106.974 -8.692 -8.692 689 1HG1 VAL 95 1HG1 VAL 95 107.515 -10.296 -10.296 690 2HG1 VAL 95 3HG1 VAL 95 107.353 -11.623 -11.623 691 3HG1 VAL 95 2HG1 VAL 95 105.955 -10.628 -10.628 692 1HG2 VAL 95 3HG2 VAL 95 107.189 -11.170 -11.170 693 2HG2 VAL 95 2HG2 VAL 95 106.959 -9.518 -9.518 694 3HG2 VAL 95 1HG2 VAL 95 105.689 -10.313 -10.313 695 H VAL 96 H VAL 96 108.872 -7.398 -7.398 696 HA VAL 96 HA VAL 96 109.740 -8.339 -8.339 697 HB VAL 96 HB VAL 96 109.985 -5.541 -5.541 698 1HG1 VAL 96 1HG1 VAL 96 109.937 -6.801 -6.801 699 2HG1 VAL 96 3HG1 VAL 96 109.093 -5.262 -5.262 700 3HG1 VAL 96 2HG1 VAL 96 110.809 -5.375 -5.375 701 1HG2 VAL 96 3HG2 VAL 96 107.624 -7.152 -7.152 702 2HG2 VAL 96 2HG2 VAL 96 107.741 -5.440 -5.440 703 3HG2 VAL 96 1HG2 VAL 96 107.523 -5.935 -5.935 704 H LEU 97 H LEU 97 111.418 -6.670 -6.670 705 HA LEU 97 HA LEU 97 113.992 -6.378 -6.378 706 1HB LEU 97 2HB LEU 97 112.751 -6.668 -6.668 707 2HB LEU 97 1HB LEU 97 114.485 -6.974 -6.974 708 HG LEU 97 HG LEU 97 114.308 -4.708 -4.708 709 1HD1 LEU 97 1HD1 LEU 97 112.045 -4.733 -4.733 710 2HD1 LEU 97 3HD1 LEU 97 112.851 -3.217 -3.217 711 3HD1 LEU 97 2HD1 LEU 97 112.054 -4.150 -4.150 712 1HD2 LEU 97 1HD2 LEU 97 115.497 -5.477 -5.477 713 2HD2 LEU 97 3HD2 LEU 97 115.638 -3.865 -3.865 714 3HD2 LEU 97 2HD2 LEU 97 114.439 -4.179 -4.179 715 H HIS 98 H HIS 98 112.575 -9.191 -9.191 716 HA HIS 98 HA HIS 98 114.977 -10.845 -10.845 717 1HB HIS 98 2HB HIS 98 113.132 -10.773 -10.773 718 2HB HIS 98 1HB HIS 98 112.243 -11.826 -11.826 719 HD1 HIS 98 HD1 HIS 98 114.478 -12.056 -12.056 720 HD2 HIS 98 HD2 HIS 98 114.179 -14.079 -14.079 721 HE1 HIS 98 HE1 HIS 98 115.758 -14.223 -14.223 722 H ARG 99 H ARG 99 111.787 -10.444 -10.444 723 HA ARG 99 HA ARG 99 111.770 -12.782 -12.782 724 1HB ARG 99 2HB ARG 99 109.729 -11.664 -11.664 725 2HB ARG 99 1HB ARG 99 110.421 -10.093 -10.093 726 1HG ARG 99 2HG ARG 99 110.596 -10.757 -10.757 727 2HG ARG 99 1HG ARG 99 109.856 -12.312 -12.312 728 1HD ARG 99 2HD ARG 99 107.990 -10.744 -10.744 729 2HD ARG 99 1HD ARG 99 108.605 -9.594 -9.594 730 HE ARG 99 HE ARG 99 108.121 -11.282 -11.282 731 1HH1 ARG 99 2HH1 ARG 99 106.023 -10.945 -10.945 732 2HH1 ARG 99 1HH1 ARG 99 105.193 -12.448 -12.448 733 1HH2 ARG 99 1HH2 ARG 99 107.436 -13.624 -13.624 734 2HH2 ARG 99 2HH2 ARG 99 105.997 -13.966 -13.966 735 H ALA 100 H ALA 100 113.682 -9.955 -9.955 736 HA ALA 100 HA ALA 100 114.333 -10.632 -10.632 737 1HB ALA 100 2HB ALA 100 113.026 -8.376 -8.376 738 2HB ALA 100 1HB ALA 100 114.676 -7.833 -7.833 739 3HB ALA 100 3HB ALA 100 113.725 -8.545 -8.545 740 H GLY 101 H GLY 101 115.617 -8.364 -8.364 741 1HA GLY 101 2HA GLY 101 118.013 -9.833 -9.833 742 2HA GLY 101 1HA GLY 101 118.308 -8.650 -8.650 743 H ALA 102 H ALA 102 118.088 -9.107 -9.107 744 HA ALA 102 HA ALA 102 118.861 -6.339 -6.339 745 1HB ALA 102 3HB ALA 102 116.133 -7.365 -7.365 746 2HB ALA 102 2HB ALA 102 116.829 -5.814 -5.814 747 3HB ALA 102 1HB ALA 102 116.430 -6.126 -6.126 748 H ARG 103 H ARG 103 120.405 -6.705 -6.705 749 HA ARG 103 HA ARG 103 120.441 -9.059 -9.059 750 1HB ARG 103 2HB ARG 103 122.416 -7.723 -7.723 751 2HB ARG 103 1HB ARG 103 121.894 -6.407 -6.407 752 1HG ARG 103 2HG ARG 103 123.110 -7.388 -7.388 753 2HG ARG 103 1HG ARG 103 121.872 -8.643 -8.643 754 1HD ARG 103 2HD ARG 103 123.517 -10.096 -10.096 755 2HD ARG 103 1HD ARG 103 123.489 -9.331 -9.331 756 HE ARG 103 HE ARG 103 125.244 -7.778 -7.778 757 1HH1 ARG 103 2HH1 ARG 103 124.608 -8.331 -8.331 758 2HH1 ARG 103 1HH1 ARG 103 126.013 -9.231 -9.231 759 1HH2 ARG 103 1HH2 ARG 103 127.002 -9.878 -9.878 760 2HH2 ARG 103 2HH2 ARG 103 127.365 -10.106 -10.106 761 H LEU 104 H LEU 104 118.964 -9.327 -9.327 762 HA LEU 104 HA LEU 104 118.016 -6.912 -6.912 763 1HB LEU 104 2HB LEU 104 116.899 -9.732 -9.732 764 2HB LEU 104 1HB LEU 104 116.087 -8.280 -8.280 765 HG LEU 104 HG LEU 104 116.908 -7.723 -7.723 766 1HD1 LEU 104 1HD1 LEU 104 115.729 -10.481 -10.481 767 2HD1 LEU 104 3HD1 LEU 104 115.541 -9.582 -9.582 768 3HD1 LEU 104 2HD1 LEU 104 117.151 -10.022 -10.022 769 1HD2 LEU 104 3HD2 LEU 104 114.223 -8.396 -8.396 770 2HD2 LEU 104 2HD2 LEU 104 114.921 -6.790 -6.790 771 3HD2 LEU 104 1HD2 LEU 104 114.413 -7.719 -7.719 772 H ASP 105 H ASP 105 120.616 -8.469 -8.469 773 HA ASP 105 HA ASP 105 120.141 -9.122 -9.122 774 1HB ASP 105 2HB ASP 105 121.960 -10.857 -10.857 775 2HB ASP 105 1HB ASP 105 120.449 -11.179 -11.179 776 H VAL 106 H VAL 106 120.913 -6.548 -6.548 777 HA VAL 106 HA VAL 106 123.849 -6.483 -6.483 778 HB VAL 106 HB VAL 106 122.669 -5.516 -5.516 779 1HG1 VAL 106 2HG1 VAL 106 122.067 -3.384 -3.384 780 2HG1 VAL 106 1HG1 VAL 106 122.033 -3.111 -3.111 781 3HG1 VAL 106 3HG1 VAL 106 120.906 -4.251 -4.251 782 1HG2 VAL 106 2HG2 VAL 106 125.006 -4.879 -4.879 783 2HG2 VAL 106 1HG2 VAL 106 124.666 -4.530 -4.530 784 3HG2 VAL 106 3HG2 VAL 106 124.301 -3.328 -3.328 785 H ARG 107 H ARG 107 124.119 -3.950 -3.950 786 HA ARG 107 HA ARG 107 122.218 -3.658 -3.658 787 1HB ARG 107 2HB ARG 107 124.248 -3.422 -3.422 788 2HB ARG 107 1HB ARG 107 124.063 -5.034 -5.034 789 1HG ARG 107 2HG ARG 107 125.640 -4.357 -4.357 790 2HG ARG 107 1HG ARG 107 125.913 -2.842 -2.842 791 1HD ARG 107 2HD ARG 107 126.454 -4.427 -4.427 792 2HD ARG 107 1HD ARG 107 126.749 -5.625 -5.625 793 HE ARG 107 HE ARG 107 127.989 -3.049 -3.049 794 1HH1 ARG 107 2HH1 ARG 107 129.088 -5.795 -5.795 795 2HH1 ARG 107 1HH1 ARG 107 130.456 -5.892 -5.892 796 1HH2 ARG 107 1HH2 ARG 107 129.418 -3.275 -3.275 797 2HH2 ARG 107 2HH2 ARG 107 130.645 -4.465 -4.465 798 H ASP 108 H ASP 108 122.026 -1.490 -1.490 799 HA ASP 108 HA ASP 108 122.763 0.582 0.582 800 1HB ASP 108 2HB ASP 108 121.184 0.217 0.217 801 2HB ASP 108 1HB ASP 108 121.988 1.785 1.785 802 H ALA 109 H ALA 109 125.182 -0.207 -0.207 803 HA ALA 109 HA ALA 109 127.364 0.271 0.271 804 1HB ALA 109 2HB ALA 109 125.813 2.804 2.804 805 2HB ALA 109 1HB ALA 109 127.570 2.700 2.700 806 3HB ALA 109 3HB ALA 109 126.766 2.451 2.451 807 H TRP 110 H TRP 110 125.844 2.267 2.267 808 HA TRP 110 HA TRP 110 126.776 0.289 0.289 809 1HB TRP 110 2HB TRP 110 127.484 2.201 2.201 810 2HB TRP 110 1HB TRP 110 128.131 2.405 2.405 811 HD1 TRP 110 HD1 TRP 110 125.355 3.681 3.681 812 HE1 TRP 110 HE1 TRP 110 124.513 5.951 5.951 813 HE3 TRP 110 HE3 TRP 110 127.958 3.929 3.929 814 HZ2 TRP 110 HZ2 TRP 110 124.887 7.642 7.642 815 HZ3 TRP 110 HZ3 TRP 110 127.689 5.875 5.875 816 HH2 TRP 110 HH2 TRP 110 126.161 7.732 7.732 817 H GLY 111 H GLY 111 124.015 1.147 1.147 818 1HA GLY 111 2HA GLY 111 122.536 1.953 1.953 819 2HA GLY 111 1HA GLY 111 121.860 1.780 1.780 820 H ARG 112 H ARG 112 121.535 -0.435 -0.435 821 HA ARG 112 HA ARG 112 121.797 -2.759 -2.759 822 1HB ARG 112 2HB ARG 112 119.775 -0.962 -0.962 823 2HB ARG 112 1HB ARG 112 118.925 -2.235 -2.235 824 1HG ARG 112 2HG ARG 112 119.344 -3.796 -3.796 825 2HG ARG 112 1HG ARG 112 120.980 -3.205 -3.205 826 1HD ARG 112 2HD ARG 112 120.273 -2.086 -2.086 827 2HD ARG 112 1HD ARG 112 119.066 -1.214 -1.214 828 HE ARG 112 HE ARG 112 117.493 -3.037 -3.037 829 1HH1 ARG 112 2HH1 ARG 112 119.857 -5.035 -5.035 830 2HH1 ARG 112 1HH1 ARG 112 119.593 -5.425 -5.425 831 1HH2 ARG 112 1HH2 ARG 112 117.422 -2.778 -2.778 832 2HH2 ARG 112 2HH2 ARG 112 118.216 -4.147 -4.147 833 H LEU 113 H LEU 113 119.612 -4.254 -4.254 834 HA LEU 113 HA LEU 113 120.131 -4.467 -4.467 835 1HB LEU 113 2HB LEU 113 118.727 -6.253 -6.253 836 2HB LEU 113 1HB LEU 113 119.074 -6.696 -6.696 837 HG LEU 113 HG LEU 113 121.244 -5.821 -5.821 838 1HD1 LEU 113 1HD1 LEU 113 120.072 -7.784 -7.784 839 2HD1 LEU 113 3HD1 LEU 113 120.300 -8.647 -8.647 840 3HD1 LEU 113 2HD1 LEU 113 121.698 -8.200 -8.200 841 1HD2 LEU 113 2HD2 LEU 113 121.041 -6.878 -6.878 842 2HD2 LEU 113 1HD2 LEU 113 122.280 -5.851 -5.851 843 3HD2 LEU 113 3HD2 LEU 113 122.316 -7.595 -7.595 844 HA PRO 114 HA PRO 114 116.165 -3.003 -3.003 845 1HB PRO 114 2HB PRO 114 115.407 -4.860 -4.860 846 2HB PRO 114 1HB PRO 114 116.649 -3.626 -3.626 847 1HG PRO 114 2HG PRO 114 116.985 -6.489 -6.489 848 2HG PRO 114 1HG PRO 114 117.862 -5.551 -5.551 849 1HD PRO 114 2HD PRO 114 118.924 -6.028 -6.028 850 2HD PRO 114 1HD PRO 114 119.182 -4.478 -4.478 851 H VAL 115 H VAL 115 116.518 -6.212 -6.212 852 HA VAL 115 HA VAL 115 113.659 -6.787 -6.787 853 HB VAL 115 HB VAL 115 115.438 -8.511 -8.511 854 1HG1 VAL 115 2HG1 VAL 115 117.149 -7.300 -7.300 855 2HG1 VAL 115 1HG1 VAL 115 116.205 -7.641 -7.641 856 3HG1 VAL 115 3HG1 VAL 115 116.925 -8.964 -8.964 857 1HG2 VAL 115 2HG2 VAL 115 113.186 -8.771 -8.771 858 2HG2 VAL 115 1HG2 VAL 115 114.408 -10.040 -10.040 859 3HG2 VAL 115 3HG2 VAL 115 114.259 -8.866 -8.866 860 H ASP 116 H ASP 116 116.197 -5.506 -5.506 861 HA ASP 116 HA ASP 116 114.649 -5.515 -5.515 862 1HB ASP 116 2HB ASP 116 117.071 -4.074 -4.074 863 2HB ASP 116 1HB ASP 116 116.423 -3.668 -3.668 864 H LEU 117 H LEU 117 115.118 -3.082 -3.082 865 HA LEU 117 HA LEU 117 113.642 -0.969 -0.969 866 1HB LEU 117 2HB LEU 117 115.188 -0.419 -0.419 867 2HB LEU 117 1HB LEU 117 114.514 -1.620 -1.620 868 HG LEU 117 HG LEU 117 112.595 0.434 0.434 869 1HD1 LEU 117 3HD1 LEU 117 115.096 1.117 1.117 870 2HD1 LEU 117 2HD1 LEU 117 113.595 1.980 1.980 871 3HD1 LEU 117 1HD1 LEU 117 114.295 2.026 2.026 872 1HD2 LEU 117 1HD2 LEU 117 113.048 -1.369 -1.369 873 2HD2 LEU 117 3HD2 LEU 117 111.581 -0.489 -0.489 874 3HD2 LEU 117 2HD2 LEU 117 112.796 0.270 0.270 875 H ALA 118 H ALA 118 112.739 -3.586 -3.586 876 HA ALA 118 HA ALA 118 110.125 -2.776 -2.776 877 1HB ALA 118 3HB ALA 118 111.563 -4.756 -4.756 878 2HB ALA 118 2HB ALA 118 110.985 -5.600 -5.600 879 3HB ALA 118 1HB ALA 118 109.840 -5.083 -5.083 880 H GLU 119 H GLU 119 111.031 -4.961 -4.961 881 HA GLU 119 HA GLU 119 108.440 -5.138 -5.138 882 1HB GLU 119 2HB GLU 119 111.279 -5.553 -5.553 883 2HB GLU 119 1HB GLU 119 110.038 -5.549 -5.549 884 1HG GLU 119 2HG GLU 119 108.893 -7.382 -7.382 885 2HG GLU 119 1HG GLU 119 109.729 -7.203 -7.203 886 H GLU 120 H GLU 120 111.121 -2.861 -2.861 887 HA GLU 120 HA GLU 120 110.035 -1.483 -1.483 888 1HB GLU 120 2HB GLU 120 111.737 -0.624 -0.624 889 2HB GLU 120 1HB GLU 120 111.435 0.426 0.426 890 1HG GLU 120 2HG GLU 120 112.460 -2.377 -2.377 891 2HG GLU 120 1HG GLU 120 113.572 -1.061 -1.061 892 H LEU 121 H LEU 121 109.407 -1.063 -1.063 893 HA LEU 121 HA LEU 121 107.581 1.195 1.195 894 1HB LEU 121 2HB LEU 121 108.613 -0.387 -0.387 895 2HB LEU 121 1HB LEU 121 107.316 0.790 0.790 896 HG LEU 121 HG LEU 121 109.771 1.617 1.617 897 1HD1 LEU 121 2HD1 LEU 121 110.224 0.411 0.411 898 2HD1 LEU 121 1HD1 LEU 121 109.723 1.979 1.979 899 3HD1 LEU 121 3HD1 LEU 121 111.102 1.868 1.868 900 1HD2 LEU 121 1HD2 LEU 121 107.469 2.893 2.893 901 2HD2 LEU 121 3HD2 LEU 121 109.010 3.732 3.732 902 3HD2 LEU 121 2HD2 LEU 121 108.434 3.289 3.289 903 H GLY 122 H GLY 122 107.306 -2.129 -2.129 904 1HA GLY 122 2HA GLY 122 105.322 -3.311 -3.311 905 2HA GLY 122 1HA GLY 122 104.376 -1.966 -1.966 906 H HIS 123 H HIS 123 106.954 -3.336 -3.336 907 HA HIS 123 HA HIS 123 104.866 -4.328 -4.328 908 1HB HIS 123 2HB HIS 123 107.810 -3.644 -3.644 909 2HB HIS 123 1HB HIS 123 106.720 -4.098 -4.098 910 HD1 HIS 123 HD1 HIS 123 104.258 -2.522 -2.522 911 HD2 HIS 123 HD2 HIS 123 108.015 -0.890 -0.890 912 HE1 HIS 123 HE1 HIS 123 103.965 -0.008 -0.008 913 H ARG 124 H ARG 124 105.320 -5.945 -5.945 914 HA ARG 124 HA ARG 124 107.277 -7.912 -7.912 915 1HB ARG 124 2HB ARG 124 104.280 -8.037 -8.037 916 2HB ARG 124 1HB ARG 124 105.343 -9.383 -9.383 917 1HG ARG 124 2HG ARG 124 106.583 -7.984 -7.984 918 2HG ARG 124 1HG ARG 124 105.626 -6.575 -6.575 919 1HD ARG 124 2HD ARG 124 104.289 -9.074 -9.074 920 2HD ARG 124 1HD ARG 124 104.898 -7.821 -7.821 921 HE ARG 124 HE ARG 124 102.762 -7.424 -7.424 922 1HH1 ARG 124 1HH2 ARG 124 103.292 -6.943 -6.943 923 2HH1 ARG 124 2HH2 ARG 124 102.998 -5.236 -5.236 924 1HH2 ARG 124 2HH1 ARG 124 103.010 -4.923 -4.923 925 2HH2 ARG 124 1HH1 ARG 124 102.841 -4.091 -4.091 926 H ASP 125 H ASP 125 104.477 -7.716 -7.716 927 HA ASP 125 HA ASP 125 104.696 -10.257 -10.257 928 1HB ASP 125 2HB ASP 125 103.916 -7.598 -7.598 929 2HB ASP 125 1HB ASP 125 103.386 -9.197 -9.197 930 H VAL 126 H VAL 126 106.255 -7.142 -7.142 931 HA VAL 126 HA VAL 126 107.745 -8.199 -8.199 932 HB VAL 126 HB VAL 126 108.248 -5.673 -5.673 933 1HG1 VAL 126 3HG1 VAL 126 109.168 -6.804 -6.804 934 2HG1 VAL 126 2HG1 VAL 126 108.656 -5.119 -5.119 935 3HG1 VAL 126 1HG1 VAL 126 109.929 -5.605 -5.605 936 1HG2 VAL 126 3HG2 VAL 126 105.999 -6.471 -6.471 937 2HG2 VAL 126 2HG2 VAL 126 106.086 -5.178 -5.178 938 3HG2 VAL 126 1HG2 VAL 126 106.741 -4.929 -4.929 939 H ALA 127 H ALA 127 108.455 -7.580 -7.580 940 HA ALA 127 HA ALA 127 111.264 -8.018 -8.018 941 1HB ALA 127 2HB ALA 127 109.884 -7.143 -7.143 942 2HB ALA 127 1HB ALA 127 109.204 -8.755 -8.755 943 3HB ALA 127 3HB ALA 127 110.921 -8.476 -8.476 944 H ARG 128 H ARG 128 108.570 -10.347 -10.347 945 HA ARG 128 HA ARG 128 110.067 -12.708 -12.708 946 1HB ARG 128 2HB ARG 128 107.607 -12.492 -12.492 947 2HB ARG 128 1HB ARG 128 107.546 -12.270 -12.270 948 1HG ARG 128 2HG ARG 128 108.873 -14.564 -14.564 949 2HG ARG 128 1HG ARG 128 108.134 -14.750 -14.750 950 1HD ARG 128 2HD ARG 128 105.909 -14.540 -14.540 951 2HD ARG 128 1HD ARG 128 106.563 -14.084 -14.084 952 HE ARG 128 HE ARG 128 107.051 -16.766 -16.766 953 1HH1 ARG 128 2HH1 ARG 128 108.112 -15.063 -15.063 954 2HH1 ARG 128 1HH1 ARG 128 107.500 -16.127 -16.127 955 1HH2 ARG 128 1HH2 ARG 128 105.562 -17.975 -17.975 956 2HH2 ARG 128 2HH2 ARG 128 106.053 -17.771 -17.771 957 H TYR 129 H TYR 129 108.792 -11.638 -11.638 958 HA TYR 129 HA TYR 129 110.299 -13.442 -13.442 959 1HB TYR 129 2HB TYR 129 108.330 -11.922 -11.922 960 2HB TYR 129 1HB TYR 129 109.498 -10.606 -10.606 961 HD1 TYR 129 HD1 TYR 129 108.754 -14.034 -14.034 962 HD2 TYR 129 HD2 TYR 129 110.761 -10.293 -10.293 963 HE1 TYR 129 HE1 TYR 129 109.341 -14.753 -14.753 964 HE2 TYR 129 HE2 TYR 129 111.350 -11.013 -11.013 965 HH TYR 129 HH TYR 129 110.629 -12.567 -12.567 966 H LEU 130 H LEU 130 111.202 -10.466 -10.466 967 HA LEU 130 HA LEU 130 113.628 -9.972 -9.972 968 1HB LEU 130 2HB LEU 130 112.257 -8.960 -8.960 969 2HB LEU 130 1HB LEU 130 113.979 -8.618 -8.618 970 HG LEU 130 HG LEU 130 111.835 -7.931 -7.931 971 1HD1 LEU 130 3HD1 LEU 130 112.690 -6.602 -6.602 972 2HD1 LEU 130 2HD1 LEU 130 113.417 -5.729 -5.729 973 3HD1 LEU 130 1HD1 LEU 130 111.671 -5.957 -5.957 974 1HD2 LEU 130 1HD2 LEU 130 114.823 -7.912 -7.912 975 2HD2 LEU 130 3HD2 LEU 130 113.680 -8.203 -8.203 976 3HD2 LEU 130 2HD2 LEU 130 113.987 -6.557 -6.557 977 H ARG 131 H ARG 131 113.001 -11.200 -11.200 978 HA ARG 131 HA ARG 131 115.616 -11.865 -11.865 979 1HB ARG 131 2HB ARG 131 113.670 -11.990 -11.990 980 2HB ARG 131 1HB ARG 131 112.975 -13.282 -13.282 981 1HG ARG 131 2HG ARG 131 114.764 -14.796 -14.796 982 2HG ARG 131 1HG ARG 131 115.639 -13.500 -13.500 983 1HD ARG 131 2HD ARG 131 113.081 -13.482 -13.482 984 2HD ARG 131 1HD ARG 131 113.522 -15.196 -15.196 985 HE ARG 131 HE ARG 131 115.677 -14.613 -14.613 986 1HH1 ARG 131 2HH1 ARG 131 113.957 -11.759 -11.759 987 2HH1 ARG 131 1HH1 ARG 131 114.106 -11.227 -11.227 988 1HH2 ARG 131 1HH2 ARG 131 115.477 -14.204 -14.204 989 2HH2 ARG 131 2HH2 ARG 131 114.962 -12.609 -12.609 990 H ALA 132 H ALA 132 113.592 -13.404 -13.404 991 HA ALA 132 HA ALA 132 115.171 -15.876 -15.876 992 1HB ALA 132 1HB ALA 132 112.643 -15.426 -15.426 993 2HB ALA 132 3HB ALA 132 113.223 -14.867 -14.867 994 3HB ALA 132 2HB ALA 132 113.522 -16.528 -16.528 995 H ALA 133 H ALA 133 114.496 -13.226 -13.226 996 HA ALA 133 HA ALA 133 116.734 -13.972 -13.972 997 1HB ALA 133 3HB ALA 133 114.804 -11.645 -11.645 998 2HB ALA 133 2HB ALA 133 115.999 -11.824 -11.824 999 3HB ALA 133 1HB ALA 133 114.729 -13.032 -13.032 1000 H ALA 134 H ALA 134 116.658 -12.373 -12.373 1001 HA ALA 134 HA ALA 134 118.897 -10.533 -10.533 1002 1HB ALA 134 2HB ALA 134 116.759 -9.741 -9.741 1003 2HB ALA 134 1HB ALA 134 117.273 -10.658 -10.658 1004 3HB ALA 134 3HB ALA 134 118.254 -9.311 -9.311 1005 H GLY 135 H GLY 135 117.954 -13.036 -13.036 1006 1HA GLY 135 2HA GLY 135 120.828 -13.247 -13.247 1007 2HA GLY 135 1HA GLY 135 119.478 -13.750 -13.750 1008 H GLY 136 H GLY 136 118.738 -15.843 -15.843 1009 1HA GLY 136 2HA GLY 136 118.422 -17.980 -17.980 1010 2HA GLY 136 1HA GLY 136 119.344 -17.433 -17.433 1011 H THR 137 H THR 137 119.538 -18.961 -18.961 1012 HA THR 137 HA THR 137 122.491 -18.995 -18.995 1013 HB THR 137 HB THR 137 122.070 -20.255 -20.255 1014 HG1 THR 137 HG1 THR 137 119.984 -20.626 -20.626 1015 1HG2 THR 137 1HG2 THR 137 121.666 -17.574 -17.574 1016 2HG2 THR 137 3HG2 THR 137 120.190 -18.024 -18.024 1017 3HG2 THR 137 2HG2 THR 137 121.761 -18.282 -18.282 1018 H ARG 138 H ARG 138 120.586 -20.519 -20.519 1019 HA ARG 138 HA ARG 138 121.609 -23.285 -23.285 1020 1HB ARG 138 2HB ARG 138 119.162 -22.797 -22.797 1021 2HB ARG 138 1HB ARG 138 119.556 -22.236 -22.236 1022 1HG ARG 138 2HG ARG 138 120.736 -24.558 -24.558 1023 2HG ARG 138 1HG ARG 138 119.727 -25.020 -25.020 1024 1HD ARG 138 2HD ARG 138 117.919 -23.724 -23.724 1025 2HD ARG 138 1HD ARG 138 118.958 -24.597 -24.597 1026 HE ARG 138 HE ARG 138 118.582 -26.597 -26.597 1027 1HH1 ARG 138 1HH2 ARG 138 116.605 -24.881 -24.881 1028 2HH1 ARG 138 2HH2 ARG 138 115.096 -25.460 -25.460 1029 1HH2 ARG 138 2HH1 ARG 138 116.523 -27.002 -27.002 1030 2HH2 ARG 138 1HH1 ARG 138 115.048 -26.663 -26.663 1031 H GLY 139 H GLY 139 122.850 -24.330 -24.330 1032 1HA GLY 139 2HA GLY 139 123.364 -23.690 -23.690 1033 2HA GLY 139 1HA GLY 139 124.364 -22.524 -22.524 1034 H SER 140 H SER 140 126.263 -23.218 -23.218 1035 HA SER 140 HA SER 140 126.853 -26.003 -26.003 1036 1HB SER 140 2HB SER 140 128.682 -25.941 -25.941 1037 2HB SER 140 1HB SER 140 127.018 -26.363 -26.363 1038 HG SER 140 HG SER 140 128.380 -23.913 -23.913 1039 H ASN 141 H ASN 141 129.323 -26.220 -26.220 1040 HA ASN 141 HA ASN 141 131.180 -25.477 -25.477 1041 1HB ASN 141 2HB ASN 141 130.550 -23.085 -23.085 1042 2HB ASN 141 1HB ASN 141 132.052 -23.275 -23.275 1043 1HD2 ASN 141 1HD2 ASN 141 132.303 -23.107 -23.107 1044 2HD2 ASN 141 2HD2 ASN 141 132.679 -24.628 -24.628 1045 H HIS 142 H HIS 142 130.309 -25.374 -25.374 1046 HA HIS 142 HA HIS 142 128.529 -23.447 -23.447 1047 1HB HIS 142 2HB HIS 142 130.607 -25.319 -25.319 1048 2HB HIS 142 1HB HIS 142 130.101 -24.052 -24.052 1049 HD1 HIS 142 HD1 HIS 142 129.065 -27.288 -27.288 1050 HD2 HIS 142 HD2 HIS 142 127.165 -24.035 -24.035 1051 HE1 HIS 142 HE1 HIS 142 126.774 -28.098 -28.098 1052 H ALA 143 H ALA 143 131.780 -23.271 -23.271 1053 HA ALA 143 HA ALA 143 133.102 -21.372 -21.372 1054 1HB ALA 143 1HB ALA 143 132.231 -21.083 -21.083 1055 2HB ALA 143 3HB ALA 143 133.335 -19.922 -19.922 1056 3HB ALA 143 2HB ALA 143 133.791 -21.620 -21.620 1057 H ARG 144 H ARG 144 130.088 -21.209 -21.209 1058 HA ARG 144 HA ARG 144 129.365 -18.424 -18.424 1059 1HB ARG 144 2HB ARG 144 127.963 -20.659 -20.659 1060 2HB ARG 144 1HB ARG 144 127.992 -20.186 -20.186 1061 1HG ARG 144 2HG ARG 144 126.989 -18.043 -18.043 1062 2HG ARG 144 1HG ARG 144 127.121 -18.349 -18.349 1063 1HD ARG 144 2HD ARG 144 124.807 -18.769 -18.769 1064 2HD ARG 144 1HD ARG 144 125.538 -20.227 -20.227 1065 HE ARG 144 HE ARG 144 126.172 -19.973 -19.973 1066 1HH1 ARG 144 1HH2 ARG 144 125.147 -22.285 -22.285 1067 2HH1 ARG 144 2HH2 ARG 144 123.764 -22.796 -22.796 1068 1HH2 ARG 144 2HH1 ARG 144 123.779 -20.024 -20.024 1069 2HH2 ARG 144 1HH1 ARG 144 122.989 -21.515 -21.515 1070 H ILE 145 H ILE 145 129.289 -16.741 -16.741 1071 HA ILE 145 HA ILE 145 131.248 -16.867 -16.867 1072 HB ILE 145 HB ILE 145 130.615 -14.907 -14.907 1073 1HG1 ILE 145 2HG1 ILE 145 130.245 -13.722 -13.722 1074 2HG1 ILE 145 1HG1 ILE 145 131.467 -14.993 -14.993 1075 1HG2 ILE 145 3HG2 ILE 145 128.045 -15.461 -15.461 1076 2HG2 ILE 145 2HG2 ILE 145 128.507 -13.985 -13.985 1077 3HG2 ILE 145 1HG2 ILE 145 128.535 -14.034 -14.034 1078 1HD1 ILE 145 2HD1 ILE 145 132.539 -13.929 -13.929 1079 2HD1 ILE 145 1HD1 ILE 145 131.406 -12.588 -12.588 1080 3HD1 ILE 145 3HD1 ILE 145 132.581 -12.922 -12.922 1081 H ASP 146 H ASP 146 130.872 -16.854 -16.854 1082 HA ASP 146 HA ASP 146 128.420 -16.567 -16.567 1083 1HB ASP 146 2HB ASP 146 128.650 -18.990 -18.990 1084 2HB ASP 146 1HB ASP 146 128.655 -19.415 -19.415 1085 H ALA 147 H ALA 147 130.918 -15.780 -15.780 1086 HA ALA 147 HA ALA 147 131.325 -16.960 -16.960 1087 1HB ALA 147 2HB ALA 147 132.411 -18.376 -18.376 1088 2HB ALA 147 1HB ALA 147 133.774 -17.415 -17.415 1089 3HB ALA 147 3HB ALA 147 132.936 -18.503 -18.503 1090 H ALA 148 H ALA 148 131.196 -14.624 -14.624 1091 HA ALA 148 HA ALA 148 132.756 -12.573 -12.573 1092 1HB ALA 148 1HB ALA 148 131.263 -13.131 -13.131 1093 2HB ALA 148 3HB ALA 148 132.629 -12.059 -12.059 1094 3HB ALA 148 2HB ALA 148 131.415 -11.617 -11.617 1095 H GLU 149 H GLU 149 134.936 -12.588 -12.588 1096 HA GLU 149 HA GLU 149 136.717 -14.159 -14.159 1097 1HB GLU 149 2HB GLU 149 136.686 -13.349 -13.349 1098 2HB GLU 149 1HB GLU 149 137.807 -12.181 -12.181 1099 1HG GLU 149 2HG GLU 149 138.976 -14.188 -14.188 1100 2HG GLU 149 1HG GLU 149 138.022 -15.194 -15.194 1101 H GLY 150 H GLY 150 138.294 -13.269 -13.269 1102 1HA GLY 150 2HA GLY 150 139.237 -11.692 -11.692 1103 2HA GLY 150 1HA GLY 150 138.733 -10.444 -10.444 1104 HA PRO 151 HA PRO 151 135.276 -11.292 -11.292 1105 1HB PRO 151 2HB PRO 151 136.340 -11.592 -11.592 1106 2HB PRO 151 1HB PRO 151 135.966 -12.966 -12.966 1107 1HG PRO 151 2HG PRO 151 138.586 -11.647 -11.647 1108 2HG PRO 151 1HG PRO 151 138.205 -13.366 -13.366 1109 1HD PRO 151 2HD PRO 151 139.325 -11.888 -11.888 1110 2HD PRO 151 1HD PRO 151 138.260 -13.279 -13.279 1111 H SER 152 H SER 152 134.406 -9.491 -9.491 1112 HA SER 152 HA SER 152 136.178 -7.111 -7.111 1113 1HB SER 152 2HB SER 152 133.256 -7.705 -7.705 1114 2HB SER 152 1HB SER 152 133.724 -6.162 -6.162 1115 HG SER 152 HG SER 152 133.847 -5.642 -5.642 1116 H ASP 153 H ASP 153 137.119 -6.798 -6.798 1117 HA ASP 153 HA ASP 153 136.231 -8.003 -8.003 1118 1HB ASP 153 2HB ASP 153 137.927 -6.465 -6.465 1119 2HB ASP 153 1HB ASP 153 138.533 -7.271 -7.271 1120 H ILE 154 H ILE 154 135.302 -6.915 -6.915 1121 HA ILE 154 HA ILE 154 133.655 -4.499 -4.499 1122 HB ILE 154 HB ILE 154 133.004 -6.911 -6.911 1123 1HG1 ILE 154 2HG1 ILE 154 132.984 -7.415 -7.415 1124 2HG1 ILE 154 1HG1 ILE 154 131.342 -7.404 -7.404 1125 1HG2 ILE 154 3HG2 ILE 154 131.950 -4.286 -4.286 1126 2HG2 ILE 154 2HG2 ILE 154 130.746 -5.274 -5.274 1127 3HG2 ILE 154 1HG2 ILE 154 131.298 -5.722 -5.722 1128 1HD1 ILE 154 3HD1 ILE 154 131.322 -4.901 -4.901 1129 2HD1 ILE 154 2HD1 ILE 154 132.701 -5.345 -5.345 1130 3HD1 ILE 154 1HD1 ILE 154 131.143 -6.136 -6.136 1131 HA PRO 155 HA PRO 155 136.187 -3.317 -3.317 1132 1HB PRO 155 2HB PRO 155 136.085 -0.626 -0.626 1133 2HB PRO 155 1HB PRO 155 137.258 -1.708 -1.708 1134 1HG PRO 155 2HG PRO 155 134.706 -0.606 -0.606 1135 2HG PRO 155 1HG PRO 155 136.259 -0.843 -0.843 1136 1HD PRO 155 2HD PRO 155 134.145 -2.527 -2.527 1137 2HD PRO 155 1HD PRO 155 135.838 -3.052 -3.052 1138 H ASP 156 HN ASP 156 134.976 -3.374 -3.374 1139 HA ASP 156 HA ASP 156 133.253 -2.918 -2.918 1140 1HB ASP 156 2HB ASP 156 133.731 -0.372 -0.372 1141 2HB ASP 156 1HB ASP 156 132.463 -0.425 -0.425 Start of MODEL 4 1 1H MET 1 2H MET 1 122.918 4.128 4.128 2 2H MET 1 1H MET 1 123.363 4.066 4.066 3 3H MET 1 3H MET 1 123.346 2.646 2.646 4 HA MET 1 HA MET 1 121.358 2.458 2.458 5 1HB MET 1 2HB MET 1 121.483 5.454 5.454 6 2HB MET 1 1HB MET 1 119.957 4.683 4.683 7 1HG MET 1 2HG MET 1 120.737 3.977 3.977 8 2HG MET 1 1HG MET 1 122.417 3.920 3.920 9 1HE MET 1 2HE MET 1 122.738 4.581 4.581 10 2HE MET 1 1HE MET 1 123.511 6.162 6.162 11 3HE MET 1 3HE MET 1 121.926 5.900 5.900 12 H GLU 2 H GLU 2 119.372 1.903 1.903 13 HA GLU 2 HA GLU 2 119.234 1.624 1.624 14 1HB GLU 2 2HB GLU 2 117.368 1.552 1.552 15 2HB GLU 2 1HB GLU 2 116.611 1.713 1.713 16 1HG GLU 2 2HG GLU 2 117.117 -0.413 -0.413 17 2HG GLU 2 1HG GLU 2 118.761 -0.285 -0.285 18 HA PRO 3 HA PRO 3 116.631 5.638 5.638 19 1HB PRO 3 2HB PRO 3 116.446 7.211 7.211 20 2HB PRO 3 1HB PRO 3 115.282 5.921 5.921 21 1HG PRO 3 2HG PRO 3 117.568 5.918 5.918 22 2HG PRO 3 1HG PRO 3 115.965 5.188 5.188 23 1HD PRO 3 2HD PRO 3 118.206 3.773 3.773 24 2HD PRO 3 1HD PRO 3 116.567 3.296 3.296 25 H ALA 4 H ALA 4 118.970 5.705 5.705 26 HA ALA 4 HA ALA 4 121.179 7.025 7.025 27 1HB ALA 4 1HB ALA 4 119.906 6.925 6.925 28 2HB ALA 4 3HB ALA 4 121.420 7.797 7.797 29 3HB ALA 4 2HB ALA 4 121.333 6.065 6.065 30 H ALA 5 H ALA 5 120.399 8.746 8.746 31 HA ALA 5 HA ALA 5 119.728 10.951 10.951 32 1HB ALA 5 2HB ALA 5 121.331 10.927 10.927 33 2HB ALA 5 1HB ALA 5 120.511 12.437 12.437 34 3HB ALA 5 3HB ALA 5 121.659 11.741 11.741 35 H GLY 6 H GLY 6 117.388 10.152 10.152 36 1HA GLY 6 2HA GLY 6 116.006 10.649 10.649 37 2HA GLY 6 1HA GLY 6 115.233 10.425 10.425 38 H SER 7 H SER 7 114.196 12.175 12.175 39 HA SER 7 HA SER 7 114.178 14.703 14.703 40 1HB SER 7 2HB SER 7 113.179 13.497 13.497 41 2HB SER 7 1HB SER 7 113.168 15.253 15.253 42 HG SER 7 HG SER 7 112.196 13.704 13.704 43 H SER 8 H SER 8 115.227 14.262 14.262 44 HA SER 8 HA SER 8 117.186 16.476 16.476 45 1HB SER 8 2HB SER 8 115.844 15.180 15.180 46 2HB SER 8 1HB SER 8 117.181 16.309 16.309 47 HG SER 8 HG SER 8 115.126 17.340 17.340 48 H MET 9 H MET 9 119.383 16.200 16.200 49 HA MET 9 HA MET 9 120.746 13.834 13.834 50 1HB MET 9 2HB MET 9 121.319 16.416 16.416 51 2HB MET 9 1HB MET 9 121.942 15.430 15.430 52 1HG MET 9 2HG MET 9 123.777 15.471 15.471 53 2HG MET 9 1HG MET 9 122.971 13.997 13.997 54 1HE MET 9 2HE MET 9 123.604 17.537 17.537 55 2HE MET 9 1HE MET 9 123.610 17.970 17.970 56 3HE MET 9 3HE MET 9 122.103 18.025 18.025 57 H GLU 10 H GLU 10 120.213 15.053 15.053 58 HA GLU 10 HA GLU 10 119.225 12.604 12.604 59 1HB GLU 10 2HB GLU 10 121.425 11.995 11.995 60 2HB GLU 10 1HB GLU 10 121.362 11.668 11.668 61 1HG GLU 10 2HG GLU 10 122.879 13.313 13.313 62 2HG GLU 10 1HG GLU 10 122.318 14.373 14.373 63 HA PRO 11 HA PRO 11 119.034 16.321 16.321 64 1HB PRO 11 2HB PRO 11 116.519 15.800 15.800 65 2HB PRO 11 1HB PRO 11 116.817 16.647 16.647 66 1HG PRO 11 2HG PRO 11 116.074 13.802 13.802 67 2HG PRO 11 1HG PRO 11 115.542 14.916 14.916 68 1HD PRO 11 2HD PRO 11 117.434 12.994 12.994 69 2HD PRO 11 1HD PRO 11 117.381 14.514 14.514 70 H SER 12 H SER 12 119.168 16.422 16.422 71 HA SER 12 HA SER 12 120.381 14.262 14.262 72 1HB SER 12 2HB SER 12 119.148 16.855 16.855 73 2HB SER 12 1HB SER 12 119.143 15.712 15.712 74 HG SER 12 HG SER 12 121.455 15.386 15.386 75 H ALA 13 H ALA 13 119.577 12.468 12.468 76 HA ALA 13 HA ALA 13 116.812 11.677 11.677 77 1HB ALA 13 1HB ALA 13 119.153 10.404 10.404 78 2HB ALA 13 3HB ALA 13 118.546 10.391 10.391 79 3HB ALA 13 2HB ALA 13 117.600 9.649 9.649 80 H ASP 14 H ASP 14 115.136 11.719 11.719 81 HA ASP 14 HA ASP 14 115.465 12.287 12.287 82 1HB ASP 14 2HB ASP 14 116.231 14.444 14.444 83 2HB ASP 14 1HB ASP 14 114.816 14.584 14.584 84 H TRP 15 H TRP 15 113.291 13.044 13.044 85 HA TRP 15 HA TRP 15 110.788 13.099 13.099 86 1HB TRP 15 2HB TRP 15 111.872 11.777 11.777 87 2HB TRP 15 1HB TRP 15 110.139 11.805 11.805 88 HD1 TRP 15 HD1 TRP 15 111.004 14.861 14.861 89 HE1 TRP 15 HE1 TRP 15 110.862 16.873 16.873 90 HE3 TRP 15 HE3 TRP 15 111.007 12.436 12.436 91 HZ2 TRP 15 HZ2 TRP 15 110.762 17.396 17.396 92 HZ3 TRP 15 HZ3 TRP 15 110.890 13.719 13.719 93 HH2 TRP 15 HH2 TRP 15 110.765 16.193 16.193 94 H LEU 16 H LEU 16 112.822 10.249 10.249 95 HA LEU 16 HA LEU 16 110.765 8.323 8.323 96 1HB LEU 16 2HB LEU 16 113.774 8.052 8.052 97 2HB LEU 16 1HB LEU 16 112.595 6.781 6.781 98 HG LEU 16 HG LEU 16 113.508 8.978 8.978 99 1HD1 LEU 16 2HD1 LEU 16 114.567 6.548 6.548 100 2HD1 LEU 16 1HD1 LEU 16 113.280 6.100 6.100 101 3HD1 LEU 16 3HD1 LEU 16 114.485 7.291 7.291 102 1HD2 LEU 16 2HD2 LEU 16 110.898 7.675 7.675 103 2HD2 LEU 16 1HD2 LEU 16 111.411 9.008 9.008 104 3HD2 LEU 16 3HD2 LEU 16 111.681 7.343 7.343 105 H ALA 17 H ALA 17 113.645 9.647 9.647 106 HA ALA 17 HA ALA 17 113.125 8.566 8.566 107 1HB ALA 17 3HB ALA 17 115.111 9.945 9.945 108 2HB ALA 17 2HB ALA 17 114.408 11.236 11.236 109 3HB ALA 17 1HB ALA 17 115.009 9.772 9.772 110 H THR 18 H THR 18 111.921 11.433 11.433 111 HA THR 18 HA THR 18 110.767 12.705 12.705 112 HB THR 18 HB THR 18 109.430 13.738 13.738 113 HG1 THR 18 HG1 THR 18 111.668 13.447 13.447 114 1HG2 THR 18 2HG2 THR 18 112.136 14.203 14.203 115 2HG2 THR 18 1HG2 THR 18 111.696 15.096 15.096 116 3HG2 THR 18 3HG2 THR 18 110.718 15.252 15.252 117 H ALA 19 H ALA 19 109.188 11.100 11.100 118 HA ALA 19 HA ALA 19 106.556 11.025 11.025 119 1HB ALA 19 2HB ALA 19 108.198 9.041 9.041 120 2HB ALA 19 1HB ALA 19 106.449 8.905 8.905 121 3HB ALA 19 3HB ALA 19 107.144 10.305 10.305 122 H ALA 20 H ALA 20 108.994 8.442 8.442 123 HA ALA 20 HA ALA 20 107.592 6.648 6.648 124 1HB ALA 20 1HB ALA 20 110.247 7.166 7.166 125 2HB ALA 20 3HB ALA 20 110.301 7.076 7.076 126 3HB ALA 20 2HB ALA 20 109.660 5.726 5.726 127 H ALA 21 H ALA 21 109.494 9.466 9.466 128 HA ALA 21 HA ALA 21 108.758 9.095 9.095 129 1HB ALA 21 3HB ALA 21 110.589 10.555 10.555 130 2HB ALA 21 2HB ALA 21 109.364 11.804 11.804 131 3HB ALA 21 1HB ALA 21 110.055 10.984 10.984 132 H ARG 22 H ARG 22 107.344 10.979 10.979 133 HA ARG 22 HA ARG 22 105.283 12.134 12.134 134 1HB ARG 22 2HB ARG 22 106.444 12.579 12.579 135 2HB ARG 22 1HB ARG 22 104.678 12.648 12.648 136 1HG ARG 22 2HG ARG 22 104.588 14.358 14.358 137 2HG ARG 22 1HG ARG 22 106.271 14.108 14.108 138 1HD ARG 22 2HD ARG 22 107.014 14.932 14.932 139 2HD ARG 22 1HD ARG 22 105.323 15.173 15.173 140 HE ARG 22 HE ARG 22 106.377 16.519 16.519 141 1HH1 ARG 22 2HH1 ARG 22 103.596 17.080 17.080 142 2HH1 ARG 22 1HH1 ARG 22 103.724 18.513 18.513 143 1HH2 ARG 22 1HH2 ARG 22 107.128 18.148 18.148 144 2HH2 ARG 22 2HH2 ARG 22 105.727 19.118 19.118 145 H GLY 23 H GLY 23 105.558 9.098 9.098 146 1HA GLY 23 2HA GLY 23 104.097 7.355 7.355 147 2HA GLY 23 1HA GLY 23 102.864 8.375 8.375 148 H ARG 24 H ARG 24 104.663 7.974 7.974 149 HA ARG 24 HA ARG 24 102.146 8.633 8.633 150 1HB ARG 24 2HB ARG 24 104.930 9.772 9.772 151 2HB ARG 24 1HB ARG 24 103.750 9.872 9.872 152 1HG ARG 24 2HG ARG 24 102.166 11.018 11.018 153 2HG ARG 24 1HG ARG 24 103.338 10.915 10.915 154 1HD ARG 24 2HD ARG 24 104.848 12.402 12.402 155 2HD ARG 24 1HD ARG 24 104.019 12.249 12.249 156 HE ARG 24 HE ARG 24 102.053 13.158 13.158 157 1HH1 ARG 24 1HH2 ARG 24 105.114 14.230 14.230 158 2HH1 ARG 24 2HH2 ARG 24 104.803 15.896 15.896 159 1HH2 ARG 24 2HH1 ARG 24 101.715 15.302 15.302 160 2HH2 ARG 24 1HH1 ARG 24 102.899 16.497 16.497 161 H VAL 25 H VAL 25 102.420 6.104 6.104 162 HA VAL 25 HA VAL 25 104.433 4.733 4.733 163 HB VAL 25 HB VAL 25 101.487 4.191 4.191 164 1HG1 VAL 25 2HG1 VAL 25 103.347 2.836 2.836 165 2HG1 VAL 25 1HG1 VAL 25 102.818 1.761 1.761 166 3HG1 VAL 25 3HG1 VAL 25 101.628 2.533 2.533 167 1HG2 VAL 25 3HG2 VAL 25 103.465 4.254 4.254 168 2HG2 VAL 25 2HG2 VAL 25 102.176 3.052 3.052 169 3HG2 VAL 25 1HG2 VAL 25 103.733 2.624 2.624 170 H GLU 26 H GLU 26 101.152 5.480 5.480 171 HA GLU 26 HA GLU 26 101.316 4.817 4.817 172 1HB GLU 26 2HB GLU 26 100.040 6.989 6.989 173 2HB GLU 26 1HB GLU 26 100.032 7.207 7.207 174 1HG GLU 26 2HG GLU 26 98.871 5.139 5.139 175 2HG GLU 26 1HG GLU 26 99.125 4.645 4.645 176 H GLU 27 H GLU 27 102.797 7.686 7.686 177 HA GLU 27 HA GLU 27 103.654 8.845 8.845 178 1HB GLU 27 2HB GLU 27 104.004 9.241 9.241 179 2HB GLU 27 1HB GLU 27 105.285 9.899 9.899 180 1HG GLU 27 2HG GLU 27 103.968 11.624 11.624 181 2HG GLU 27 1HG GLU 27 102.754 10.508 10.508 182 H VAL 28 H VAL 28 105.423 7.017 7.017 183 HA VAL 28 HA VAL 28 107.910 6.968 6.968 184 HB VAL 28 HB VAL 28 106.759 4.985 4.985 185 1HG1 VAL 28 1HG1 VAL 28 109.020 4.665 4.665 186 2HG1 VAL 28 3HG1 VAL 28 109.651 5.689 5.689 187 3HG1 VAL 28 2HG1 VAL 28 108.893 4.144 4.144 188 1HG2 VAL 28 3HG2 VAL 28 108.204 7.630 7.630 189 2HG2 VAL 28 2HG2 VAL 28 106.625 7.192 7.192 190 3HG2 VAL 28 1HG2 VAL 28 108.088 6.464 6.464 191 H ARG 29 H ARG 29 105.110 4.705 4.705 192 HA ARG 29 HA ARG 29 106.292 2.626 2.626 193 1HB ARG 29 2HB ARG 29 103.625 3.633 3.633 194 2HB ARG 29 1HB ARG 29 103.666 2.952 2.952 195 1HG ARG 29 2HG ARG 29 103.338 0.979 0.979 196 2HG ARG 29 1HG ARG 29 105.086 1.062 1.062 197 1HD ARG 29 2HD ARG 29 104.646 0.912 0.912 198 2HD ARG 29 1HD ARG 29 104.161 2.614 2.614 199 HE ARG 29 HE ARG 29 101.846 1.892 1.892 200 1HH1 ARG 29 1HH2 ARG 29 103.617 0.022 0.022 201 2HH1 ARG 29 2HH2 ARG 29 102.675 -1.420 -1.420 202 1HH2 ARG 29 2HH1 ARG 29 100.843 -0.243 -0.243 203 2HH2 ARG 29 1HH1 ARG 29 101.100 -1.570 -1.570 204 H ALA 30 H ALA 30 104.909 5.738 5.738 205 HA ALA 30 HA ALA 30 105.276 5.311 5.311 206 1HB ALA 30 2HB ALA 30 104.459 7.513 7.513 207 2HB ALA 30 1HB ALA 30 104.885 7.926 7.926 208 3HB ALA 30 3HB ALA 30 103.567 6.798 6.798 209 H LEU 31 H LEU 31 106.933 7.376 7.376 210 HA LEU 31 HA LEU 31 108.963 8.404 8.404 211 1HB LEU 31 2HB LEU 31 108.845 7.719 7.719 212 2HB LEU 31 1HB LEU 31 110.239 8.522 8.522 213 HG LEU 31 HG LEU 31 107.611 9.685 9.685 214 1HD1 LEU 31 2HD1 LEU 31 108.221 9.116 9.116 215 2HD1 LEU 31 1HD1 LEU 31 108.335 10.855 10.855 216 3HD1 LEU 31 3HD1 LEU 31 106.846 10.006 10.006 217 1HD2 LEU 31 2HD2 LEU 31 110.281 10.787 10.787 218 2HD2 LEU 31 1HD2 LEU 31 109.699 10.720 10.720 219 3HD2 LEU 31 3HD2 LEU 31 108.911 11.779 11.779 220 H LEU 32 H LEU 32 109.479 5.726 5.726 221 HA LEU 32 HA LEU 32 111.935 4.762 4.762 222 1HB LEU 32 2HB LEU 32 109.432 3.523 3.523 223 2HB LEU 32 1HB LEU 32 110.730 2.452 2.452 224 HG LEU 32 HG LEU 32 111.152 4.765 4.765 225 1HD1 LEU 32 3HD1 LEU 32 109.590 2.755 2.755 226 2HD1 LEU 32 2HD1 LEU 32 111.116 1.883 1.883 227 3HD1 LEU 32 1HD1 LEU 32 110.828 3.327 3.327 228 1HD2 LEU 32 3HD2 LEU 32 113.004 3.506 3.506 229 2HD2 LEU 32 2HD2 LEU 32 113.322 3.986 3.986 230 3HD2 LEU 32 1HD2 LEU 32 112.866 2.325 2.325 231 H GLU 33 H GLU 33 108.777 3.763 3.763 232 HA GLU 33 HA GLU 33 109.881 2.166 2.166 233 1HB GLU 33 2HB GLU 33 107.216 3.390 3.390 234 2HB GLU 33 1HB GLU 33 107.433 2.519 2.519 235 1HG GLU 33 2HG GLU 33 108.125 0.515 0.515 236 2HG GLU 33 1HG GLU 33 108.131 1.367 1.367 237 H ALA 34 H ALA 34 109.511 5.566 5.566 238 HA ALA 34 HA ALA 34 109.375 6.188 6.188 239 1HB ALA 34 1HB ALA 34 109.343 7.643 7.643 240 2HB ALA 34 3HB ALA 34 109.726 8.548 8.548 241 3HB ALA 34 2HB ALA 34 108.182 7.709 7.709 242 H GLY 35 H GLY 35 111.838 5.351 5.351 243 1HA GLY 35 2HA GLY 35 114.112 5.168 5.168 244 2HA GLY 35 1HA GLY 35 113.860 6.783 6.783 245 H ALA 36 H ALA 36 112.813 5.924 5.924 246 HA ALA 36 HA ALA 36 114.339 8.100 8.100 247 1HB ALA 36 2HB ALA 36 112.080 6.570 6.570 248 2HB ALA 36 1HB ALA 36 113.208 6.114 6.114 249 3HB ALA 36 3HB ALA 36 112.761 7.805 7.805 250 H LEU 37 H LEU 37 115.815 7.694 7.694 251 HA LEU 37 HA LEU 37 117.824 5.694 5.694 252 1HB LEU 37 2HB LEU 37 117.604 8.127 8.127 253 2HB LEU 37 1HB LEU 37 118.360 6.896 6.896 254 HG LEU 37 HG LEU 37 119.553 6.570 6.570 255 1HD1 LEU 37 2HD1 LEU 37 118.828 9.405 9.405 256 2HD1 LEU 37 1HD1 LEU 37 120.464 9.097 9.097 257 3HD1 LEU 37 3HD1 LEU 37 119.074 8.581 8.581 258 1HD2 LEU 37 1HD2 LEU 37 120.568 6.414 6.414 259 2HD2 LEU 37 3HD2 LEU 37 121.566 7.286 7.286 260 3HD2 LEU 37 2HD2 LEU 37 120.625 8.176 8.176 261 HA PRO 38 HA PRO 38 116.192 2.577 2.577 262 1HB PRO 38 2HB PRO 38 118.329 0.879 0.879 263 2HB PRO 38 1HB PRO 38 117.195 1.049 1.049 264 1HG PRO 38 2HG PRO 38 119.926 2.158 2.158 265 2HG PRO 38 1HG PRO 38 119.110 1.589 1.589 266 1HD PRO 38 2HD PRO 38 119.430 4.238 4.238 267 2HD PRO 38 1HD PRO 38 118.193 3.623 3.623 268 H ASN 39 H ASN 39 119.540 3.708 3.708 269 HA ASN 39 HA ASN 39 119.331 3.137 3.137 270 1HB ASN 39 2HB ASN 39 121.597 3.704 3.704 271 2HB ASN 39 1HB ASN 39 121.841 3.627 3.627 272 1HD2 ASN 39 1HD2 ASN 39 120.982 1.526 1.526 273 2HD2 ASN 39 2HD2 ASN 39 121.140 0.090 0.090 274 H ALA 40 H ALA 40 121.282 5.686 5.686 275 HA ALA 40 HA ALA 40 121.355 8.010 8.010 276 1HB ALA 40 2HB ALA 40 118.604 7.137 7.137 277 2HB ALA 40 1HB ALA 40 118.678 8.535 8.535 278 3HB ALA 40 3HB ALA 40 119.373 8.623 8.623 279 HA PRO 41 HA PRO 41 121.264 6.981 6.981 280 1HB PRO 41 2HB PRO 41 123.938 7.362 7.362 281 2HB PRO 41 1HB PRO 41 123.243 5.803 5.803 282 1HG PRO 41 2HG PRO 41 124.632 7.870 7.870 283 2HG PRO 41 1HG PRO 41 124.725 6.104 6.104 284 1HD PRO 41 2HD PRO 41 123.257 7.620 7.620 285 2HD PRO 41 1HD PRO 41 122.852 5.942 5.942 286 H ASN 42 H ASN 42 120.225 8.898 8.898 287 HA ASN 42 HA ASN 42 121.791 11.044 11.044 288 1HB ASN 42 2HB ASN 42 121.441 12.770 12.770 289 2HB ASN 42 1HB ASN 42 121.976 11.373 11.373 290 1HD2 ASN 42 1HD2 ASN 42 120.197 10.060 10.060 291 2HD2 ASN 42 2HD2 ASN 42 118.773 10.848 10.848 292 H SER 43 H SER 43 119.827 13.127 13.127 293 HA SER 43 HA SER 43 117.755 13.837 13.837 294 1HB SER 43 2HB SER 43 117.239 11.829 11.829 295 2HB SER 43 1HB SER 43 116.781 11.015 11.015 296 HG SER 43 HG SER 43 114.986 12.071 12.071 297 H TYR 44 H TYR 44 118.820 14.076 14.076 298 HA TYR 44 HA TYR 44 118.821 13.738 13.738 299 1HB TYR 44 2HB TYR 44 116.882 11.467 11.467 300 2HB TYR 44 1HB TYR 44 116.938 12.612 12.612 301 HD1 TYR 44 HD1 TYR 44 117.347 15.110 15.110 302 HD2 TYR 44 HD2 TYR 44 114.550 11.852 11.852 303 HE1 TYR 44 HE1 TYR 44 115.709 16.532 16.532 304 HE2 TYR 44 HE2 TYR 44 112.911 13.276 13.276 305 HH TYR 44 HH TYR 44 113.603 15.904 15.904 306 H GLY 45 H GLY 45 120.104 11.738 11.738 307 1HA GLY 45 2HA GLY 45 121.583 9.937 9.937 308 2HA GLY 45 1HA GLY 45 121.837 10.387 10.387 309 H ARG 46 H ARG 46 118.602 9.611 9.611 310 HA ARG 46 HA ARG 46 118.689 7.189 7.189 311 1HB ARG 46 2HB ARG 46 116.625 9.126 9.126 312 2HB ARG 46 1HB ARG 46 116.105 7.519 7.519 313 1HG ARG 46 2HG ARG 46 117.910 9.179 9.179 314 2HG ARG 46 1HG ARG 46 116.161 9.410 9.410 315 1HD ARG 46 2HD ARG 46 115.967 6.882 6.882 316 2HD ARG 46 1HD ARG 46 117.712 6.903 6.903 317 HE ARG 46 HE ARG 46 115.735 8.544 8.544 318 1HH1 ARG 46 2HH1 ARG 46 119.003 8.230 8.230 319 2HH1 ARG 46 1HH1 ARG 46 119.366 7.812 7.812 320 1HH2 ARG 46 1HH2 ARG 46 116.031 7.374 7.374 321 2HH2 ARG 46 2HH2 ARG 46 117.676 7.325 7.325 322 H ARG 47 H ARG 47 119.806 7.063 7.063 323 HA ARG 47 HA ARG 47 119.665 5.662 5.662 324 1HB ARG 47 2HB ARG 47 118.864 4.325 4.325 325 2HB ARG 47 1HB ARG 47 117.742 3.805 3.805 326 1HG ARG 47 2HG ARG 47 119.379 2.317 2.317 327 2HG ARG 47 1HG ARG 47 120.119 3.690 3.690 328 1HD ARG 47 2HD ARG 47 120.695 2.755 2.755 329 2HD ARG 47 1HD ARG 47 121.798 2.687 2.687 330 HE ARG 47 HE ARG 47 120.882 5.192 5.192 331 1HH1 ARG 47 2HH1 ARG 47 121.777 4.591 4.591 332 2HH1 ARG 47 1HH1 ARG 47 123.290 5.435 5.435 333 1HH2 ARG 47 1HH2 ARG 47 123.303 5.809 5.809 334 2HH2 ARG 47 2HH2 ARG 47 124.139 6.123 6.123 335 HA PRO 48 HA PRO 48 115.870 6.456 6.456 336 1HB PRO 48 2HB PRO 48 115.426 4.254 4.254 337 2HB PRO 48 1HB PRO 48 116.770 5.377 5.377 338 1HG PRO 48 2HG PRO 48 116.793 2.682 2.682 339 2HG PRO 48 1HG PRO 48 118.038 3.510 3.510 340 1HD PRO 48 2HD PRO 48 117.989 3.219 3.219 341 2HD PRO 48 1HD PRO 48 119.024 4.329 4.329 342 H ILE 49 H ILE 49 115.833 3.349 3.349 343 HA ILE 49 HA ILE 49 112.831 3.439 3.439 344 HB ILE 49 HB ILE 49 114.928 1.290 1.290 345 1HG1 ILE 49 2HG1 ILE 49 112.674 1.762 1.762 346 2HG1 ILE 49 1HG1 ILE 49 114.396 1.607 1.607 347 1HG2 ILE 49 2HG2 ILE 49 113.058 1.136 1.136 348 2HG2 ILE 49 1HG2 ILE 49 111.934 0.948 0.948 349 3HG2 ILE 49 3HG2 ILE 49 113.192 -0.255 -0.255 350 1HD1 ILE 49 1HD1 ILE 49 114.179 -0.765 -0.765 351 2HD1 ILE 49 3HD1 ILE 49 112.445 -0.547 -0.547 352 3HD1 ILE 49 2HD1 ILE 49 113.519 -0.513 -0.513 353 H GLN 50 H GLN 50 115.757 3.257 3.257 354 HA GLN 50 HA GLN 50 114.577 2.935 2.935 355 1HB GLN 50 2HB GLN 50 116.881 2.612 2.612 356 2HB GLN 50 1HB GLN 50 117.117 4.020 4.020 357 1HG GLN 50 2HG GLN 50 116.714 5.512 5.512 358 2HG GLN 50 1HG GLN 50 116.394 4.126 4.126 359 1HE2 GLN 50 1HE2 GLN 50 118.290 4.877 4.877 360 2HE2 GLN 50 2HE2 GLN 50 119.866 4.525 4.525 361 H VAL 51 H VAL 51 114.374 5.582 5.582 362 HA VAL 51 HA VAL 51 113.758 7.506 7.506 363 HB VAL 51 HB VAL 51 115.467 8.066 8.066 364 1HG1 VAL 51 2HG1 VAL 51 113.122 7.542 7.542 365 2HG1 VAL 51 1HG1 VAL 51 114.346 8.718 8.718 366 3HG1 VAL 51 3HG1 VAL 51 114.798 7.040 7.040 367 1HG2 VAL 51 2HG2 VAL 51 112.922 9.682 9.682 368 2HG2 VAL 51 1HG2 VAL 51 114.402 9.916 9.916 369 3HG2 VAL 51 3HG2 VAL 51 114.379 10.262 10.262 370 H MET 52 H MET 52 112.159 5.275 5.275 371 HA MET 52 HA MET 52 109.936 6.869 6.869 372 1HB MET 52 2HB MET 52 109.045 4.759 4.759 373 2HB MET 52 1HB MET 52 110.788 4.573 4.573 374 1HG MET 52 2HG MET 52 110.814 2.921 2.921 375 2HG MET 52 1HG MET 52 109.866 3.869 3.869 376 1HE MET 52 2HE MET 52 110.267 0.902 0.902 377 2HE MET 52 1HE MET 52 109.192 0.677 0.677 378 3HE MET 52 3HE MET 52 108.704 0.119 0.119 379 H MET 53 H MET 53 107.683 6.503 6.503 380 HA MET 53 HA MET 53 107.551 7.306 7.306 381 1HB MET 53 2HB MET 53 105.939 7.420 7.420 382 2HB MET 53 1HB MET 53 105.278 5.954 5.954 383 1HG MET 53 2HG MET 53 105.482 7.590 7.590 384 2HG MET 53 1HG MET 53 105.086 8.745 8.745 385 1HE MET 53 1HE MET 53 103.826 6.925 6.925 386 2HE MET 53 3HE MET 53 102.100 6.731 6.731 387 3HE MET 53 2HE MET 53 102.821 8.335 8.335 388 H MET 54 H MET 54 108.131 4.224 4.224 389 HA MET 54 HA MET 54 108.131 2.070 2.070 390 1HB MET 54 2HB MET 54 108.310 3.981 3.981 391 2HB MET 54 1HB MET 54 108.123 2.261 2.261 392 1HG MET 54 2HG MET 54 110.306 3.507 3.507 393 2HG MET 54 1HG MET 54 110.504 2.853 2.853 394 1HE MET 54 1HE MET 54 111.353 2.619 2.619 395 2HE MET 54 3HE MET 54 112.426 1.341 1.341 396 3HE MET 54 2HE MET 54 111.257 0.997 0.997 397 H GLY 55 H GLY 55 105.525 3.740 3.740 398 1HA GLY 55 2HA GLY 55 103.766 2.009 2.009 399 2HA GLY 55 1HA GLY 55 103.299 3.604 3.604 400 H SER 56 H SER 56 105.011 2.278 2.278 401 HA SER 56 HA SER 56 102.685 0.828 0.828 402 1HB SER 56 2HB SER 56 103.631 3.474 3.474 403 2HB SER 56 1HB SER 56 103.942 2.453 2.453 404 HG SER 56 HG SER 56 101.712 3.529 3.529 405 H ALA 57 H ALA 57 104.007 -1.109 -1.109 406 HA ALA 57 HA ALA 57 106.688 -1.500 -1.500 407 1HB ALA 57 3HB ALA 57 104.248 -3.289 -3.289 408 2HB ALA 57 2HB ALA 57 105.899 -3.880 -3.880 409 3HB ALA 57 1HB ALA 57 105.390 -3.162 -3.162 410 H ARG 58 H ARG 58 103.853 -1.079 -1.079 411 HA ARG 58 HA ARG 58 104.684 -2.288 -2.288 412 1HB ARG 58 2HB ARG 58 103.266 0.374 0.374 413 2HB ARG 58 1HB ARG 58 103.173 -0.650 -0.650 414 1HG ARG 58 2HG ARG 58 102.519 -2.126 -2.126 415 2HG ARG 58 1HG ARG 58 101.449 -0.745 -0.745 416 1HD ARG 58 2HD ARG 58 100.319 -1.941 -1.941 417 2HD ARG 58 1HD ARG 58 101.795 -2.007 -2.007 418 HE ARG 58 HE ARG 58 102.447 -3.993 -3.993 419 1HH1 ARG 58 2HH1 ARG 58 99.382 -3.053 -3.053 420 2HH1 ARG 58 1HH1 ARG 58 98.618 -4.580 -4.580 421 1HH2 ARG 58 1HH2 ARG 58 101.402 -5.965 -5.965 422 2HH2 ARG 58 2HH2 ARG 58 99.763 -6.231 -6.231 423 H VAL 59 H VAL 59 105.333 1.006 1.006 424 HA VAL 59 HA VAL 59 106.941 2.006 2.006 425 HB VAL 59 HB VAL 59 107.194 2.339 2.339 426 1HG1 VAL 59 2HG1 VAL 59 109.146 3.166 3.166 427 2HG1 VAL 59 1HG1 VAL 59 108.024 4.212 4.212 428 3HG1 VAL 59 3HG1 VAL 59 108.285 4.446 4.446 429 1HG2 VAL 59 3HG2 VAL 59 105.433 3.503 3.503 430 2HG2 VAL 59 2HG2 VAL 59 105.019 3.012 3.012 431 3HG2 VAL 59 1HG2 VAL 59 105.898 4.514 4.514 432 H ALA 60 H ALA 60 107.943 0.165 0.165 433 HA ALA 60 HA ALA 60 110.695 -0.032 -0.032 434 1HB ALA 60 2HB ALA 60 108.776 -1.135 -1.135 435 2HB ALA 60 1HB ALA 60 109.507 -2.531 -2.531 436 3HB ALA 60 3HB ALA 60 110.514 -1.387 -1.387 437 H GLU 61 H GLU 61 108.115 -2.304 -2.304 438 HA GLU 61 HA GLU 61 109.583 -4.093 -4.093 439 1HB GLU 61 2HB GLU 61 106.949 -3.557 -3.557 440 2HB GLU 61 1HB GLU 61 107.025 -3.144 -3.144 441 1HG GLU 61 2HG GLU 61 107.565 -5.307 -5.307 442 2HG GLU 61 1HG GLU 61 108.300 -5.693 -5.693 443 H LEU 62 H LEU 62 108.155 -0.976 -0.976 444 HA LEU 62 HA LEU 62 108.941 -0.996 -0.996 445 1HB LEU 62 2HB LEU 62 107.841 0.772 0.772 446 2HB LEU 62 1HB LEU 62 109.181 1.624 1.624 447 HG LEU 62 HG LEU 62 106.737 0.427 0.427 448 1HD1 LEU 62 3HD1 LEU 62 107.506 2.989 2.989 449 2HD1 LEU 62 2HD1 LEU 62 107.668 3.006 3.006 450 3HD1 LEU 62 1HD1 LEU 62 106.130 2.574 2.574 451 1HD2 LEU 62 1HD2 LEU 62 109.462 0.694 0.694 452 2HD2 LEU 62 3HD2 LEU 62 108.086 -0.220 -0.220 453 3HD2 LEU 62 2HD2 LEU 62 108.226 1.505 1.505 454 H LEU 63 H LEU 63 110.580 1.082 1.082 455 HA LEU 63 HA LEU 63 112.976 1.422 1.422 456 1HB LEU 63 2HB LEU 63 112.415 1.320 1.320 457 2HB LEU 63 1HB LEU 63 113.887 1.981 1.981 458 HG LEU 63 HG LEU 63 111.141 2.969 2.969 459 1HD1 LEU 63 1HD1 LEU 63 112.975 3.868 3.868 460 2HD1 LEU 63 3HD1 LEU 63 111.741 4.922 4.922 461 3HD1 LEU 63 2HD1 LEU 63 111.272 3.422 3.422 462 1HD2 LEU 63 3HD2 LEU 63 113.870 3.500 3.500 463 2HD2 LEU 63 2HD2 LEU 63 112.372 4.116 4.116 464 3HD2 LEU 63 1HD2 LEU 63 113.137 4.964 4.964 465 H LEU 64 H LEU 64 112.302 -0.961 -0.961 466 HA LEU 64 HA LEU 64 114.757 -2.295 -2.295 467 1HB LEU 64 2HB LEU 64 112.899 -2.737 -2.737 468 2HB LEU 64 1HB LEU 64 111.910 -3.317 -3.317 469 HG LEU 64 HG LEU 64 114.430 -4.749 -4.749 470 1HD1 LEU 64 3HD1 LEU 64 112.924 -4.333 -4.333 471 2HD1 LEU 64 2HD1 LEU 64 113.405 -5.992 -5.992 472 3HD1 LEU 64 1HD1 LEU 64 114.623 -4.725 -4.725 473 1HD2 LEU 64 3HD2 LEU 64 111.544 -5.218 -5.218 474 2HD2 LEU 64 2HD2 LEU 64 112.907 -6.041 -6.041 475 3HD2 LEU 64 1HD2 LEU 64 112.367 -6.522 -6.522 476 H LEU 65 H LEU 65 112.018 -3.673 -3.673 477 HA LEU 65 HA LEU 65 113.471 -5.543 -5.543 478 1HB LEU 65 2HB LEU 65 111.473 -5.785 -5.785 479 2HB LEU 65 1HB LEU 65 110.901 -4.956 -4.956 480 HG LEU 65 HG LEU 65 111.457 -2.790 -2.790 481 1HD1 LEU 65 2HD1 LEU 65 111.291 -5.038 -5.038 482 2HD1 LEU 65 1HD1 LEU 65 110.646 -3.456 -3.456 483 3HD1 LEU 65 3HD1 LEU 65 112.345 -3.627 -3.627 484 1HD2 LEU 65 3HD2 LEU 65 109.162 -4.150 -4.150 485 2HD2 LEU 65 2HD2 LEU 65 109.200 -2.574 -2.574 486 3HD2 LEU 65 1HD2 LEU 65 109.002 -4.033 -4.033 487 H HIS 66 H HIS 66 113.352 -2.084 -2.084 488 HA HIS 66 HA HIS 66 114.381 -2.048 -2.048 489 1HB HIS 66 2HB HIS 66 113.249 -0.295 -0.295 490 2HB HIS 66 1HB HIS 66 114.663 0.421 0.421 491 HD1 HIS 66 HD1 HIS 66 113.934 1.866 1.866 492 HD2 HIS 66 HD2 HIS 66 111.702 -1.646 -1.646 493 HE1 HIS 66 HE1 HIS 66 112.312 1.912 1.912 494 H GLY 67 H GLY 67 115.608 -1.202 -1.202 495 1HA GLY 67 2HA GLY 67 118.065 -2.321 -2.321 496 2HA GLY 67 1HA GLY 67 118.315 -0.937 -0.937 497 H ALA 68 H ALA 68 116.197 -1.027 -1.027 498 HA ALA 68 HA ALA 68 117.373 1.440 1.440 499 1HB ALA 68 2HB ALA 68 115.286 -0.526 -0.526 500 2HB ALA 68 1HB ALA 68 116.023 0.300 0.300 501 3HB ALA 68 3HB ALA 68 115.255 1.232 1.232 502 H GLU 69 H GLU 69 117.989 1.150 1.150 503 HA GLU 69 HA GLU 69 120.180 -0.887 -0.887 504 1HB GLU 69 2HB GLU 69 119.898 1.952 1.952 505 2HB GLU 69 1HB GLU 69 120.915 0.932 0.932 506 1HG GLU 69 2HG GLU 69 122.541 0.774 0.774 507 2HG GLU 69 1HG GLU 69 121.370 0.534 0.534 508 HA PRO 70 HA PRO 70 117.072 -1.845 -1.845 509 1HB PRO 70 2HB PRO 70 116.608 -4.433 -4.433 510 2HB PRO 70 1HB PRO 70 115.668 -3.060 -3.060 511 1HG PRO 70 2HG PRO 70 117.919 -4.533 -4.533 512 2HG PRO 70 1HG PRO 70 116.431 -3.908 -3.908 513 1HD PRO 70 2HD PRO 70 118.828 -2.654 -2.654 514 2HD PRO 70 1HD PRO 70 117.271 -1.797 -1.797 515 H ASN 71 H ASN 71 120.063 -2.955 -2.955 516 HA ASN 71 HA ASN 71 120.577 -4.671 -4.671 517 1HB ASN 71 2HB ASN 71 120.895 -5.385 -5.385 518 2HB ASN 71 1HB ASN 71 122.325 -4.354 -4.354 519 1HD2 ASN 71 1HD2 ASN 71 121.304 -7.526 -7.526 520 2HD2 ASN 71 2HD2 ASN 71 122.569 -8.023 -8.023 521 H CYS 72 H CYS 72 121.584 -1.788 -1.788 522 HA CYS 72 HA CYS 72 123.910 -1.353 -1.353 523 1HB CYS 72 2HB CYS 72 122.990 -0.616 -0.616 524 2HB CYS 72 1HB CYS 72 123.257 0.869 0.869 525 HG CYS 72 HG CYS 72 125.622 0.437 0.437 526 H ALA 73 H ALA 73 124.105 0.663 0.663 527 HA ALA 73 HA ALA 73 121.502 1.955 1.955 528 1HB ALA 73 3HB ALA 73 122.421 0.019 0.019 529 2HB ALA 73 2HB ALA 73 123.587 1.214 1.214 530 3HB ALA 73 1HB ALA 73 121.860 1.490 1.490 531 H ASP 74 H ASP 74 122.982 3.326 3.326 532 HA ASP 74 HA ASP 74 124.372 5.351 5.351 533 1HB ASP 74 2HB ASP 74 122.334 5.451 5.451 534 2HB ASP 74 1HB ASP 74 123.752 6.059 6.059 535 HA PRO 75 HA PRO 75 128.131 4.207 4.207 536 1HB PRO 75 2HB PRO 75 129.600 6.438 6.438 537 2HB PRO 75 1HB PRO 75 129.237 5.154 5.154 538 1HG PRO 75 2HG PRO 75 127.986 7.831 7.831 539 2HG PRO 75 1HG PRO 75 128.323 6.901 6.901 540 1HD PRO 75 2HD PRO 75 125.844 7.096 7.096 541 2HD PRO 75 1HD PRO 75 126.362 5.761 5.761 542 H ALA 76 H ALA 76 126.171 6.902 6.902 543 HA ALA 76 HA ALA 76 127.802 7.963 7.963 544 1HB ALA 76 3HB ALA 76 125.700 8.805 8.805 545 2HB ALA 76 2HB ALA 76 124.904 8.490 8.490 546 3HB ALA 76 1HB ALA 76 126.252 9.623 9.623 547 H THR 77 H THR 77 124.472 6.649 6.649 548 HA THR 77 HA THR 77 125.165 5.505 5.505 549 HB THR 77 HB THR 77 122.369 5.407 5.407 550 HG1 THR 77 HG1 THR 77 123.414 8.018 8.018 551 1HG2 THR 77 2HG2 THR 77 123.942 6.978 6.978 552 2HG2 THR 77 1HG2 THR 77 122.189 6.790 6.790 553 3HG2 THR 77 3HG2 THR 77 123.223 5.384 5.384 554 H LEU 78 H LEU 78 124.927 4.479 4.479 555 HA LEU 78 HA LEU 78 124.845 2.311 2.311 556 1HB LEU 78 2HB LEU 78 125.720 2.093 2.093 557 2HB LEU 78 1HB LEU 78 124.758 0.681 0.681 558 HG LEU 78 HG LEU 78 127.166 1.734 1.734 559 1HD1 LEU 78 3HD1 LEU 78 126.788 -0.222 -0.222 560 2HD1 LEU 78 2HD1 LEU 78 127.548 -0.937 -0.937 561 3HD1 LEU 78 1HD1 LEU 78 128.281 0.464 0.464 562 1HD2 LEU 78 3HD2 LEU 78 125.028 -0.249 -0.249 563 2HD2 LEU 78 2HD2 LEU 78 125.952 0.809 0.809 564 3HD2 LEU 78 1HD2 LEU 78 126.685 -0.663 -0.663 565 H THR 79 H THR 79 122.332 3.751 3.751 566 HA THR 79 HA THR 79 120.456 1.746 1.746 567 HB THR 79 HB THR 79 119.907 4.257 4.257 568 HG1 THR 79 HG1 THR 79 120.153 4.246 4.246 569 1HG2 THR 79 3HG2 THR 79 118.356 2.408 2.408 570 2HG2 THR 79 2HG2 THR 79 118.134 4.104 4.104 571 3HG2 THR 79 1HG2 THR 79 117.805 3.559 3.559 572 H ARG 80 H ARG 80 120.519 -0.106 -0.106 573 HA ARG 80 HA ARG 80 120.450 0.118 0.118 574 1HB ARG 80 2HB ARG 80 120.074 -2.018 -2.018 575 2HB ARG 80 1HB ARG 80 119.577 -2.357 -2.357 576 1HG ARG 80 2HG ARG 80 122.302 -1.201 -1.201 577 2HG ARG 80 1HG ARG 80 122.023 -2.936 -2.936 578 1HD ARG 80 2HD ARG 80 121.481 -3.114 -3.114 579 2HD ARG 80 1HD ARG 80 121.222 -1.363 -1.363 580 HE ARG 80 HE ARG 80 123.565 -1.058 -1.058 581 1HH1 ARG 80 1HH2 ARG 80 122.760 -4.330 -4.330 582 2HH1 ARG 80 2HH2 ARG 80 124.412 -4.842 -4.842 583 1HH2 ARG 80 2HH1 ARG 80 125.708 -1.696 -1.696 584 2HH2 ARG 80 1HH1 ARG 80 126.077 -3.359 -3.359 585 HA PRO 81 HA PRO 81 116.199 0.796 0.796 586 1HB PRO 81 2HB PRO 81 115.656 -0.998 -0.998 587 2HB PRO 81 1HB PRO 81 116.626 0.471 0.471 588 1HG PRO 81 2HG PRO 81 117.531 -2.333 -2.333 589 2HG PRO 81 1HG PRO 81 118.133 -1.136 -1.136 590 1HD PRO 81 2HD PRO 81 119.420 -1.646 -1.646 591 2HD PRO 81 1HD PRO 81 119.376 -0.022 -0.022 592 H VAL 82 H VAL 82 117.305 -2.388 -2.388 593 HA VAL 82 HA VAL 82 114.851 -3.803 -3.803 594 HB VAL 82 HB VAL 82 117.590 -3.864 -3.864 595 1HG1 VAL 82 3HG1 VAL 82 115.928 -4.678 -4.678 596 2HG1 VAL 82 2HG1 VAL 82 115.377 -5.877 -5.877 597 3HG1 VAL 82 1HG1 VAL 82 117.025 -5.943 -5.943 598 1HG2 VAL 82 3HG2 VAL 82 116.564 -4.795 -4.795 599 2HG2 VAL 82 2HG2 VAL 82 118.074 -5.304 -5.304 600 3HG2 VAL 82 1HG2 VAL 82 116.601 -6.234 -6.234 601 H HIS 83 H HIS 83 116.380 -1.339 -1.339 602 HA HIS 83 HA HIS 83 114.713 -1.830 -1.830 603 1HB HIS 83 2HB HIS 83 116.495 0.482 0.482 604 2HB HIS 83 1HB HIS 83 115.848 0.232 0.232 605 HD2 HIS 83 HD2 HIS 83 117.920 -0.893 -0.893 606 HE1 HIS 83 HE1 HIS 83 119.412 -3.521 -3.521 607 HE2 HIS 83 HE2 HIS 83 119.645 -2.743 -2.743 608 H ASP 84 H ASP 84 114.654 0.290 0.290 609 HA ASP 84 HA ASP 84 112.651 2.135 2.135 610 1HB ASP 84 2HB ASP 84 113.388 0.990 0.990 611 2HB ASP 84 1HB ASP 84 112.337 2.391 2.391 612 H ALA 85 H ALA 85 112.438 -1.021 -1.021 613 HA ALA 85 HA ALA 85 109.602 -1.111 -1.111 614 1HB ALA 85 1HB ALA 85 111.543 -2.626 -2.626 615 2HB ALA 85 3HB ALA 85 111.349 -3.479 -3.479 616 3HB ALA 85 2HB ALA 85 110.008 -3.395 -3.395 617 H ALA 86 H ALA 86 111.507 -2.856 -2.856 618 HA ALA 86 HA ALA 86 109.326 -3.472 -3.472 619 1HB ALA 86 1HB ALA 86 111.798 -4.295 -4.295 620 2HB ALA 86 3HB ALA 86 112.144 -2.913 -2.913 621 3HB ALA 86 2HB ALA 86 111.042 -4.173 -4.173 622 H ARG 87 H ARG 87 111.428 -0.608 -0.608 623 HA ARG 87 HA ARG 87 110.932 0.713 0.713 624 1HB ARG 87 2HB ARG 87 112.362 1.685 1.685 625 2HB ARG 87 1HB ARG 87 111.096 1.670 1.670 626 1HG ARG 87 2HG ARG 87 111.484 3.947 3.947 627 2HG ARG 87 1HG ARG 87 109.847 3.383 3.383 628 1HD ARG 87 2HD ARG 87 110.208 3.762 3.762 629 2HD ARG 87 1HD ARG 87 111.444 2.485 2.485 630 HE ARG 87 HE ARG 87 112.858 4.520 4.520 631 1HH1 ARG 87 2HH1 ARG 87 112.810 3.761 3.761 632 2HH1 ARG 87 1HH1 ARG 87 112.612 5.331 5.331 633 1HH2 ARG 87 1HH2 ARG 87 111.655 6.838 6.838 634 2HH2 ARG 87 2HH2 ARG 87 111.944 7.076 7.076 635 H GLU 88 H GLU 88 108.875 1.039 1.039 636 HA GLU 88 HA GLU 88 106.728 2.277 2.277 637 1HB GLU 88 2HB GLU 88 107.657 2.609 2.609 638 2HB GLU 88 1HB GLU 88 106.392 1.425 1.425 639 1HG GLU 88 2HG GLU 88 105.076 3.128 3.128 640 2HG GLU 88 1HG GLU 88 106.160 4.248 4.248 641 H GLY 89 H GLY 89 107.729 -0.832 -0.832 642 1HA GLY 89 2HA GLY 89 106.665 -2.863 -2.863 643 2HA GLY 89 1HA GLY 89 105.177 -1.957 -1.957 644 H PHE 90 H PHE 90 106.946 -1.646 -1.646 645 HA PHE 90 HA PHE 90 104.585 -2.748 -2.748 646 1HB PHE 90 2HB PHE 90 106.093 -0.530 -0.530 647 2HB PHE 90 1HB PHE 90 106.931 -1.630 -1.630 648 HD1 PHE 90 HD2 PHE 90 105.680 -2.750 -2.750 649 HD2 PHE 90 HD1 PHE 90 103.879 0.264 0.264 650 HE1 PHE 90 HE2 PHE 90 103.864 -2.471 -2.471 651 HE2 PHE 90 HE1 PHE 90 102.067 0.541 0.541 652 HZ PHE 90 HZ PHE 90 102.062 -0.824 -0.824 653 H LEU 91 H LEU 91 104.753 -4.960 -4.960 654 HA LEU 91 HA LEU 91 107.283 -6.364 -6.364 655 1HB LEU 91 2HB LEU 91 104.724 -6.893 -6.893 656 2HB LEU 91 1HB LEU 91 104.809 -7.800 -7.800 657 HG LEU 91 HG LEU 91 106.768 -7.968 -7.968 658 1HD1 LEU 91 3HD1 LEU 91 104.604 -9.752 -9.752 659 2HD1 LEU 91 2HD1 LEU 91 105.951 -10.417 -10.417 660 3HD1 LEU 91 1HD1 LEU 91 104.870 -9.241 -9.241 661 1HD2 LEU 91 3HD2 LEU 91 106.738 -9.337 -9.337 662 2HD2 LEU 91 2HD2 LEU 91 107.941 -8.185 -8.185 663 3HD2 LEU 91 1HD2 LEU 91 107.815 -9.775 -9.775 664 H ASP 92 H ASP 92 104.498 -5.706 -5.706 665 HA ASP 92 HA ASP 92 105.099 -7.135 -7.135 666 1HB ASP 92 2HB ASP 92 104.032 -4.371 -4.371 667 2HB ASP 92 1HB ASP 92 104.205 -4.939 -4.939 668 H THR 93 H THR 93 106.674 -4.210 -4.210 669 HA THR 93 HA THR 93 108.314 -3.637 -3.637 670 HB THR 93 HB THR 93 108.663 -3.087 -3.087 671 HG1 THR 93 HG1 THR 93 106.903 -2.202 -2.202 672 1HG2 THR 93 2HG2 THR 93 110.528 -2.729 -2.729 673 2HG2 THR 93 1HG2 THR 93 109.756 -1.153 -1.153 674 3HG2 THR 93 3HG2 THR 93 110.507 -1.880 -1.880 675 H LEU 94 H LEU 94 108.821 -5.602 -5.602 676 HA LEU 94 HA LEU 94 111.578 -6.225 -6.225 677 1HB LEU 94 2HB LEU 94 109.270 -7.415 -7.415 678 2HB LEU 94 1HB LEU 94 110.809 -8.269 -8.269 679 HG LEU 94 HG LEU 94 111.573 -5.665 -5.665 680 1HD1 LEU 94 1HD1 LEU 94 109.211 -5.043 -5.043 681 2HD1 LEU 94 3HD1 LEU 94 109.056 -6.302 -6.302 682 3HD1 LEU 94 2HD1 LEU 94 110.121 -4.925 -4.925 683 1HD2 LEU 94 2HD2 LEU 94 112.215 -7.941 -7.941 684 2HD2 LEU 94 1HD2 LEU 94 112.257 -6.522 -6.522 685 3HD2 LEU 94 3HD2 LEU 94 110.899 -7.644 -7.644 686 H VAL 95 H VAL 95 108.700 -8.284 -8.284 687 HA VAL 95 HA VAL 95 109.736 -10.475 -10.475 688 HB VAL 95 HB VAL 95 107.368 -8.718 -8.718 689 1HG1 VAL 95 2HG1 VAL 95 108.206 -11.363 -11.363 690 2HG1 VAL 95 1HG1 VAL 95 106.515 -10.862 -10.862 691 3HG1 VAL 95 3HG1 VAL 95 107.697 -9.896 -9.896 692 1HG2 VAL 95 1HG2 VAL 95 107.841 -11.248 -11.248 693 2HG2 VAL 95 3HG2 VAL 95 107.146 -9.725 -9.725 694 3HG2 VAL 95 2HG2 VAL 95 106.228 -10.775 -10.775 695 H VAL 96 H VAL 96 109.002 -7.415 -7.415 696 HA VAL 96 HA VAL 96 110.067 -8.133 -8.133 697 HB VAL 96 HB VAL 96 110.155 -5.418 -5.418 698 1HG1 VAL 96 1HG1 VAL 96 110.432 -6.429 -6.429 699 2HG1 VAL 96 3HG1 VAL 96 109.561 -4.916 -4.916 700 3HG1 VAL 96 2HG1 VAL 96 111.226 -5.067 -5.067 701 1HG2 VAL 96 2HG2 VAL 96 107.920 -7.089 -7.089 702 2HG2 VAL 96 1HG2 VAL 96 107.901 -5.798 -5.798 703 3HG2 VAL 96 3HG2 VAL 96 107.910 -5.403 -5.403 704 H LEU 97 H LEU 97 111.733 -6.272 -6.272 705 HA LEU 97 HA LEU 97 114.296 -6.025 -6.025 706 1HB LEU 97 2HB LEU 97 113.071 -6.394 -6.394 707 2HB LEU 97 1HB LEU 97 114.808 -6.679 -6.679 708 HG LEU 97 HG LEU 97 114.569 -4.386 -4.386 709 1HD1 LEU 97 1HD1 LEU 97 112.515 -4.304 -4.304 710 2HD1 LEU 97 3HD1 LEU 97 113.130 -2.875 -2.875 711 3HD1 LEU 97 2HD1 LEU 97 112.216 -4.089 -4.089 712 1HD2 LEU 97 2HD2 LEU 97 115.524 -5.175 -5.175 713 2HD2 LEU 97 1HD2 LEU 97 116.186 -3.973 -3.973 714 3HD2 LEU 97 3HD2 LEU 97 114.926 -3.516 -3.516 715 H HIS 98 H HIS 98 112.972 -8.926 -8.926 716 HA HIS 98 HA HIS 98 115.439 -10.457 -10.457 717 1HB HIS 98 2HB HIS 98 113.683 -10.580 -10.580 718 2HB HIS 98 1HB HIS 98 112.759 -11.573 -11.573 719 HD1 HIS 98 HD1 HIS 98 113.876 -12.917 -12.917 720 HD2 HIS 98 HD2 HIS 98 115.957 -12.759 -12.759 721 HE1 HIS 98 HE1 HIS 98 115.556 -14.811 -14.811 722 H ARG 99 H ARG 99 112.340 -9.993 -9.993 723 HA ARG 99 HA ARG 99 112.250 -12.315 -12.315 724 1HB ARG 99 2HB ARG 99 110.478 -10.530 -10.530 725 2HB ARG 99 1HB ARG 99 111.234 -9.560 -9.560 726 1HG ARG 99 2HG ARG 99 110.924 -11.526 -11.526 727 2HG ARG 99 1HG ARG 99 109.943 -12.281 -12.281 728 1HD ARG 99 2HD ARG 99 108.215 -10.731 -10.731 729 2HD ARG 99 1HD ARG 99 109.292 -9.463 -9.463 730 HE ARG 99 HE ARG 99 108.616 -10.274 -10.274 731 1HH1 ARG 99 2HH1 ARG 99 107.291 -12.659 -12.659 732 2HH1 ARG 99 1HH1 ARG 99 107.900 -13.987 -13.987 733 1HH2 ARG 99 1HH2 ARG 99 110.244 -12.077 -12.077 734 2HH2 ARG 99 2HH2 ARG 99 109.554 -13.652 -13.652 735 H ALA 100 H ALA 100 114.395 -9.651 -9.651 736 HA ALA 100 HA ALA 100 115.114 -10.355 -10.355 737 1HB ALA 100 3HB ALA 100 113.836 -8.096 -8.096 738 2HB ALA 100 2HB ALA 100 115.520 -7.581 -7.581 739 3HB ALA 100 1HB ALA 100 114.869 -8.164 -8.164 740 H GLY 101 H GLY 101 116.434 -8.167 -8.167 741 1HA GLY 101 2HA GLY 101 118.721 -9.792 -9.792 742 2HA GLY 101 1HA GLY 101 119.132 -8.577 -8.577 743 H ALA 102 H ALA 102 118.752 -9.157 -9.157 744 HA ALA 102 HA ALA 102 119.395 -6.337 -6.337 745 1HB ALA 102 2HB ALA 102 116.818 -6.885 -6.885 746 2HB ALA 102 1HB ALA 102 117.134 -7.644 -7.644 747 3HB ALA 102 3HB ALA 102 117.465 -5.928 -5.928 748 H ARG 103 H ARG 103 118.897 -6.676 -6.676 749 HA ARG 103 HA ARG 103 120.323 -9.093 -9.093 750 1HB ARG 103 2HB ARG 103 122.195 -7.912 -7.912 751 2HB ARG 103 1HB ARG 103 121.597 -6.367 -6.367 752 1HG ARG 103 2HG ARG 103 122.208 -6.834 -6.834 753 2HG ARG 103 1HG ARG 103 122.182 -8.579 -8.579 754 1HD ARG 103 2HD ARG 103 124.124 -7.702 -7.702 755 2HD ARG 103 1HD ARG 103 124.396 -6.705 -6.705 756 HE ARG 103 HE ARG 103 124.548 -8.775 -8.775 757 1HH1 ARG 103 2HH1 ARG 103 123.633 -9.560 -9.560 758 2HH1 ARG 103 1HH1 ARG 103 124.657 -10.950 -10.950 759 1HH2 ARG 103 1HH2 ARG 103 126.206 -10.402 -10.402 760 2HH2 ARG 103 2HH2 ARG 103 126.102 -11.434 -11.434 761 H LEU 104 H LEU 104 118.885 -9.469 -9.469 762 HA LEU 104 HA LEU 104 118.098 -7.222 -7.222 763 1HB LEU 104 2HB LEU 104 117.153 -10.102 -10.102 764 2HB LEU 104 1HB LEU 104 116.321 -8.707 -8.707 765 HG LEU 104 HG LEU 104 116.834 -8.104 -8.104 766 1HD1 LEU 104 2HD1 LEU 104 117.048 -10.694 -10.694 767 2HD1 LEU 104 1HD1 LEU 104 115.303 -10.685 -10.685 768 3HD1 LEU 104 3HD1 LEU 104 115.988 -9.924 -9.924 769 1HD2 LEU 104 1HD2 LEU 104 114.828 -7.744 -7.744 770 2HD2 LEU 104 3HD2 LEU 104 114.626 -7.503 -7.503 771 3HD2 LEU 104 2HD2 LEU 104 114.130 -9.023 -9.023 772 H ASP 105 H ASP 105 120.547 -7.391 -7.391 773 HA ASP 105 HA ASP 105 120.570 -8.587 -8.587 774 1HB ASP 105 2HB ASP 105 120.816 -10.518 -10.518 775 2HB ASP 105 1HB ASP 105 122.462 -9.913 -9.913 776 H VAL 106 H VAL 106 121.214 -6.023 -6.023 777 HA VAL 106 HA VAL 106 124.187 -5.896 -5.896 778 HB VAL 106 HB VAL 106 122.717 -5.005 -5.005 779 1HG1 VAL 106 3HG1 VAL 106 121.572 -3.520 -3.520 780 2HG1 VAL 106 2HG1 VAL 106 122.646 -2.377 -2.377 781 3HG1 VAL 106 1HG1 VAL 106 121.400 -3.212 -3.212 782 1HG2 VAL 106 1HG2 VAL 106 125.236 -4.465 -4.465 783 2HG2 VAL 106 3HG2 VAL 106 124.583 -3.880 -3.880 784 3HG2 VAL 106 2HG2 VAL 106 124.536 -2.848 -2.848 785 H ARG 107 H ARG 107 124.676 -3.454 -3.454 786 HA ARG 107 HA ARG 107 123.109 -3.179 -3.179 787 1HB ARG 107 2HB ARG 107 125.986 -3.562 -3.562 788 2HB ARG 107 1HB ARG 107 125.634 -2.280 -2.280 789 1HG ARG 107 2HG ARG 107 125.089 -3.765 -3.765 790 2HG ARG 107 1HG ARG 107 123.998 -4.624 -4.624 791 1HD ARG 107 2HD ARG 107 125.506 -6.326 -6.326 792 2HD ARG 107 1HD ARG 107 126.594 -5.256 -5.256 793 HE ARG 107 HE ARG 107 127.544 -4.505 -4.505 794 1HH1 ARG 107 1HH2 ARG 107 124.809 -6.084 -6.084 795 2HH1 ARG 107 2HH2 ARG 107 125.581 -7.117 -7.117 796 1HH2 ARG 107 2HH1 ARG 107 128.793 -6.309 -6.309 797 2HH2 ARG 107 1HH1 ARG 107 127.835 -7.256 -7.256 798 H ASP 108 H ASP 108 122.416 -1.131 -1.131 799 HA ASP 108 HA ASP 108 122.662 0.984 0.984 800 1HB ASP 108 2HB ASP 108 121.159 0.339 0.339 801 2HB ASP 108 1HB ASP 108 121.936 1.880 1.880 802 H ALA 109 H ALA 109 125.222 0.615 0.615 803 HA ALA 109 HA ALA 109 127.302 1.588 1.588 804 1HB ALA 109 1HB ALA 109 125.218 3.672 3.672 805 2HB ALA 109 3HB ALA 109 126.855 4.013 4.013 806 3HB ALA 109 2HB ALA 109 126.552 3.677 3.677 807 H TRP 110 H TRP 110 125.562 3.100 3.100 808 HA TRP 110 HA TRP 110 127.426 2.666 2.666 809 1HB TRP 110 2HB TRP 110 124.399 2.527 2.527 810 2HB TRP 110 1HB TRP 110 125.457 2.749 2.749 811 HD1 TRP 110 HD1 TRP 110 127.314 4.921 4.921 812 HE1 TRP 110 HE1 TRP 110 126.662 7.288 7.288 813 HE3 TRP 110 HE3 TRP 110 122.764 3.921 3.921 814 HZ2 TRP 110 HZ2 TRP 110 124.479 8.586 8.586 815 HZ3 TRP 110 HZ3 TRP 110 121.412 5.730 5.730 816 HH2 TRP 110 HH2 TRP 110 122.263 8.055 8.055 817 H GLY 111 H GLY 111 124.498 0.663 0.663 818 1HA GLY 111 2HA GLY 111 125.635 -1.864 -1.864 819 2HA GLY 111 1HA GLY 111 125.771 -1.498 -1.498 820 H ARG 112 H ARG 112 123.390 -1.537 -1.537 821 HA ARG 112 HA ARG 112 121.369 -2.467 -2.467 822 1HB ARG 112 2HB ARG 112 121.186 -0.275 -0.275 823 2HB ARG 112 1HB ARG 112 119.763 -0.948 -0.948 824 1HG ARG 112 2HG ARG 112 120.783 -0.381 -0.381 825 2HG ARG 112 1HG ARG 112 122.125 0.391 0.391 826 1HD ARG 112 2HD ARG 112 120.921 2.291 2.291 827 2HD ARG 112 1HD ARG 112 119.583 1.394 1.394 828 HE ARG 112 HE ARG 112 119.209 0.697 0.697 829 1HH1 ARG 112 1HH2 ARG 112 117.716 3.056 3.056 830 2HH1 ARG 112 2HH2 ARG 112 118.000 4.283 4.283 831 1HH2 ARG 112 2HH1 ARG 112 120.580 2.557 2.557 832 2HH2 ARG 112 1HH1 ARG 112 119.622 3.999 3.999 833 H LEU 113 H LEU 113 119.250 -2.786 -2.786 834 HA LEU 113 HA LEU 113 120.243 -4.405 -4.405 835 1HB LEU 113 2HB LEU 113 119.643 -5.458 -5.458 836 2HB LEU 113 1HB LEU 113 118.368 -5.990 -5.990 837 HG LEU 113 HG LEU 113 120.666 -6.355 -6.355 838 1HD1 LEU 113 2HD1 LEU 113 121.225 -6.762 -6.762 839 2HD1 LEU 113 1HD1 LEU 113 121.962 -7.841 -7.841 840 3HD1 LEU 113 3HD1 LEU 113 122.279 -6.107 -6.107 841 1HD2 LEU 113 3HD2 LEU 113 118.668 -7.868 -7.868 842 2HD2 LEU 113 2HD2 LEU 113 120.213 -8.715 -8.715 843 3HD2 LEU 113 1HD2 LEU 113 119.384 -8.409 -8.409 844 HA PRO 114 HA PRO 114 116.385 -3.254 -3.254 845 1HB PRO 114 2HB PRO 114 115.669 -5.513 -5.513 846 2HB PRO 114 1HB PRO 114 116.978 -4.439 -4.439 847 1HG PRO 114 2HG PRO 114 117.130 -7.036 -7.036 848 2HG PRO 114 1HG PRO 114 118.154 -6.409 -6.409 849 1HD PRO 114 2HD PRO 114 118.900 -6.376 -6.376 850 2HD PRO 114 1HD PRO 114 119.437 -5.157 -5.157 851 H VAL 115 H VAL 115 116.170 -6.652 -6.652 852 HA VAL 115 HA VAL 115 113.389 -6.621 -6.621 853 HB VAL 115 HB VAL 115 115.086 -8.541 -8.541 854 1HG1 VAL 115 2HG1 VAL 115 116.343 -7.414 -7.414 855 2HG1 VAL 115 1HG1 VAL 115 115.428 -8.713 -8.713 856 3HG1 VAL 115 3HG1 VAL 115 116.568 -9.076 -9.076 857 1HG2 VAL 115 2HG2 VAL 115 113.061 -8.535 -8.535 858 2HG2 VAL 115 1HG2 VAL 115 112.801 -9.014 -9.014 859 3HG2 VAL 115 3HG2 VAL 115 113.817 -10.001 -10.001 860 H ASP 116 H ASP 116 116.186 -5.483 -5.483 861 HA ASP 116 HA ASP 116 115.099 -5.467 -5.467 862 1HB ASP 116 2HB ASP 116 117.464 -5.139 -5.139 863 2HB ASP 116 1HB ASP 116 117.118 -3.690 -3.690 864 H LEU 117 H LEU 117 114.667 -3.259 -3.259 865 HA LEU 117 HA LEU 117 113.393 -1.197 -1.197 866 1HB LEU 117 2HB LEU 117 114.129 -1.666 -1.666 867 2HB LEU 117 1HB LEU 117 112.792 -0.548 -0.548 868 HG LEU 117 HG LEU 117 115.082 -0.158 -0.158 869 1HD1 LEU 117 2HD1 LEU 117 115.386 0.126 0.126 870 2HD1 LEU 117 1HD1 LEU 117 116.346 1.079 1.079 871 3HD1 LEU 117 3HD1 LEU 117 116.468 -0.681 -0.681 872 1HD2 LEU 117 3HD2 LEU 117 113.480 1.651 1.651 873 2HD2 LEU 117 2HD2 LEU 117 113.202 1.403 1.403 874 3HD2 LEU 117 1HD2 LEU 117 114.669 2.212 2.212 875 H ALA 118 H ALA 118 112.309 -3.659 -3.659 876 HA ALA 118 HA ALA 118 109.552 -3.086 -3.086 877 1HB ALA 118 1HB ALA 118 111.248 -5.562 -5.562 878 2HB ALA 118 3HB ALA 118 109.490 -5.719 -5.719 879 3HB ALA 118 2HB ALA 118 110.299 -4.753 -4.753 880 H GLU 119 H GLU 119 111.370 -5.159 -5.159 881 HA GLU 119 HA GLU 119 109.135 -5.890 -5.890 882 1HB GLU 119 2HB GLU 119 112.125 -5.673 -5.673 883 2HB GLU 119 1HB GLU 119 111.061 -6.273 -6.273 884 1HG GLU 119 2HG GLU 119 111.127 -7.439 -7.439 885 2HG GLU 119 1HG GLU 119 112.088 -8.070 -8.070 886 H GLU 120 H GLU 120 111.341 -3.110 -3.110 887 HA GLU 120 HA GLU 120 110.361 -2.076 -2.076 888 1HB GLU 120 2HB GLU 120 112.106 -1.099 -1.099 889 2HB GLU 120 1HB GLU 120 111.672 -0.031 -0.031 890 1HG GLU 120 2HG GLU 120 112.550 -1.743 -1.743 891 2HG GLU 120 1HG GLU 120 113.085 -2.702 -2.702 892 H LEU 121 H LEU 121 109.431 -1.729 -1.729 893 HA LEU 121 HA LEU 121 107.659 0.563 0.563 894 1HB LEU 121 2HB LEU 121 108.452 -0.740 -0.740 895 2HB LEU 121 1HB LEU 121 107.510 0.743 0.743 896 HG LEU 121 HG LEU 121 110.253 0.432 0.432 897 1HD1 LEU 121 2HD1 LEU 121 110.400 0.086 0.086 898 2HD1 LEU 121 1HD1 LEU 121 109.521 1.595 1.595 899 3HD1 LEU 121 3HD1 LEU 121 111.124 1.623 1.623 900 1HD2 LEU 121 2HD2 LEU 121 108.461 2.777 2.777 901 2HD2 LEU 121 1HD2 LEU 121 108.971 2.254 2.254 902 3HD2 LEU 121 3HD2 LEU 121 110.148 2.951 2.951 903 H GLY 122 H GLY 122 107.448 -2.737 -2.737 904 1HA GLY 122 2HA GLY 122 105.552 -4.115 -4.115 905 2HA GLY 122 1HA GLY 122 104.545 -2.700 -2.700 906 H HIS 123 H HIS 123 107.056 -4.134 -4.134 907 HA HIS 123 HA HIS 123 104.970 -4.314 -4.314 908 1HB HIS 123 2HB HIS 123 107.991 -4.145 -4.145 909 2HB HIS 123 1HB HIS 123 107.023 -4.318 -4.318 910 HD1 HIS 123 HD1 HIS 123 104.668 -2.443 -2.443 911 HD2 HIS 123 HD2 HIS 123 108.713 -1.450 -1.450 912 HE1 HIS 123 HE1 HIS 123 104.785 0.083 0.083 913 H ARG 124 H ARG 124 104.702 -6.374 -6.374 914 HA ARG 124 HA ARG 124 106.230 -8.657 -8.657 915 1HB ARG 124 2HB ARG 124 103.255 -8.392 -8.392 916 2HB ARG 124 1HB ARG 124 104.043 -9.862 -9.862 917 1HG ARG 124 2HG ARG 124 104.233 -7.224 -7.224 918 2HG ARG 124 1HG ARG 124 102.987 -8.425 -8.425 919 1HD ARG 124 2HD ARG 124 104.521 -9.963 -9.963 920 2HD ARG 124 1HD ARG 124 105.878 -9.266 -9.266 921 HE ARG 124 HE ARG 124 105.164 -7.165 -7.165 922 1HH1 ARG 124 2HH1 ARG 124 103.912 -9.465 -9.465 923 2HH1 ARG 124 1HH1 ARG 124 105.161 -9.670 -9.670 924 1HH2 ARG 124 1HH2 ARG 124 107.522 -7.879 -7.879 925 2HH2 ARG 124 2HH2 ARG 124 107.205 -8.781 -8.781 926 H ASP 125 H ASP 125 103.840 -7.957 -7.957 927 HA ASP 125 HA ASP 125 104.297 -10.016 -10.016 928 1HB ASP 125 2HB ASP 125 103.193 -7.393 -7.393 929 2HB ASP 125 1HB ASP 125 104.225 -7.493 -7.493 930 H VAL 126 H VAL 126 106.241 -7.045 -7.045 931 HA VAL 126 HA VAL 126 108.166 -7.999 -7.999 932 HB VAL 126 HB VAL 126 108.615 -5.595 -5.595 933 1HG1 VAL 126 1HG1 VAL 126 109.387 -6.643 -6.643 934 2HG1 VAL 126 3HG1 VAL 126 108.894 -4.953 -4.953 935 3HG1 VAL 126 2HG1 VAL 126 110.200 -5.463 -5.463 936 1HG2 VAL 126 2HG2 VAL 126 106.376 -5.993 -5.993 937 2HG2 VAL 126 1HG2 VAL 126 106.321 -5.201 -5.201 938 3HG2 VAL 126 3HG2 VAL 126 107.103 -4.401 -4.401 939 H ALA 127 H ALA 127 108.282 -7.153 -7.153 940 HA ALA 127 HA ALA 127 110.925 -7.839 -7.839 941 1HB ALA 127 2HB ALA 127 108.398 -7.457 -7.457 942 2HB ALA 127 1HB ALA 127 109.264 -8.792 -8.792 943 3HB ALA 127 3HB ALA 127 110.023 -7.206 -7.206 944 H ARG 128 H ARG 128 108.096 -10.027 -10.027 945 HA ARG 128 HA ARG 128 109.525 -12.411 -12.411 946 1HB ARG 128 2HB ARG 128 106.878 -11.614 -11.614 947 2HB ARG 128 1HB ARG 128 107.363 -13.283 -13.283 948 1HG ARG 128 2HG ARG 128 106.437 -13.572 -13.572 949 2HG ARG 128 1HG ARG 128 108.071 -13.126 -13.126 950 1HD ARG 128 2HD ARG 128 107.441 -10.991 -10.991 951 2HD ARG 128 1HD ARG 128 106.069 -10.935 -10.935 952 HE ARG 128 HE ARG 128 104.764 -12.005 -12.005 953 1HH1 ARG 128 1HH2 ARG 128 106.678 -14.396 -14.396 954 2HH1 ARG 128 2HH2 ARG 128 107.095 -14.413 -14.413 955 1HH2 ARG 128 2HH1 ARG 128 105.929 -11.215 -11.215 956 2HH2 ARG 128 1HH1 ARG 128 106.690 -12.615 -12.615 957 H TYR 129 H TYR 129 108.099 -11.631 -11.631 958 HA TYR 129 HA TYR 129 109.400 -13.553 -13.553 959 1HB TYR 129 2HB TYR 129 107.699 -12.140 -12.140 960 2HB TYR 129 1HB TYR 129 108.615 -10.678 -10.678 961 HD1 TYR 129 HD1 TYR 129 108.710 -13.801 -13.801 962 HD2 TYR 129 HD2 TYR 129 110.151 -9.790 -9.790 963 HE1 TYR 129 HE1 TYR 129 109.825 -13.934 -13.934 964 HE2 TYR 129 HE2 TYR 129 111.270 -9.916 -9.916 965 HH TYR 129 HH TYR 129 111.192 -12.892 -12.892 966 H LEU 130 H LEU 130 110.641 -10.375 -10.375 967 HA LEU 130 HA LEU 130 113.082 -10.382 -10.382 968 1HB LEU 130 2HB LEU 130 111.953 -9.080 -9.080 969 2HB LEU 130 1HB LEU 130 113.702 -9.019 -9.019 970 HG LEU 130 HG LEU 130 111.698 -8.140 -8.140 971 1HD1 LEU 130 2HD1 LEU 130 112.936 -6.796 -6.796 972 2HD1 LEU 130 1HD1 LEU 130 113.365 -6.010 -6.010 973 3HD1 LEU 130 3HD1 LEU 130 111.670 -6.222 -6.222 974 1HD2 LEU 130 3HD2 LEU 130 114.681 -8.465 -8.465 975 2HD2 LEU 130 2HD2 LEU 130 113.541 -8.761 -8.761 976 3HD2 LEU 130 1HD2 LEU 130 114.000 -7.111 -7.111 977 H ARG 131 H ARG 131 112.532 -11.358 -11.358 978 HA ARG 131 HA ARG 131 115.061 -12.217 -12.217 979 1HB ARG 131 2HB ARG 131 112.416 -12.499 -12.499 980 2HB ARG 131 1HB ARG 131 113.021 -14.150 -14.150 981 1HG ARG 131 2HG ARG 131 114.738 -13.767 -13.767 982 2HG ARG 131 1HG ARG 131 114.711 -12.020 -12.020 983 1HD ARG 131 2HD ARG 131 113.676 -12.482 -12.482 984 2HD ARG 131 1HD ARG 131 112.388 -12.006 -12.006 985 HE ARG 131 HE ARG 131 112.973 -14.890 -14.890 986 1HH1 ARG 131 2HH1 ARG 131 110.509 -12.762 -12.762 987 2HH1 ARG 131 1HH1 ARG 131 109.426 -13.507 -13.507 988 1HH2 ARG 131 1HH2 ARG 131 111.838 -15.645 -15.645 989 2HH2 ARG 131 2HH2 ARG 131 110.179 -15.144 -15.144 990 H ALA 132 H ALA 132 112.750 -13.954 -13.954 991 HA ALA 132 HA ALA 132 114.284 -16.404 -16.404 992 1HB ALA 132 3HB ALA 132 112.064 -15.081 -15.081 993 2HB ALA 132 2HB ALA 132 112.725 -16.646 -16.646 994 3HB ALA 132 1HB ALA 132 111.944 -16.456 -16.456 995 H ALA 133 H ALA 133 113.886 -13.552 -13.552 996 HA ALA 133 HA ALA 133 115.965 -14.450 -14.450 997 1HB ALA 133 3HB ALA 133 114.042 -12.178 -12.178 998 2HB ALA 133 2HB ALA 133 115.420 -11.966 -11.966 999 3HB ALA 133 1HB ALA 133 114.269 -13.269 -13.269 1000 H ALA 134 H ALA 134 116.077 -13.071 -13.071 1001 HA ALA 134 HA ALA 134 118.533 -11.476 -11.476 1002 1HB ALA 134 3HB ALA 134 116.330 -10.569 -10.569 1003 2HB ALA 134 2HB ALA 134 116.975 -11.356 -11.356 1004 3HB ALA 134 1HB ALA 134 117.899 -10.082 -10.082 1005 H GLY 135 H GLY 135 117.310 -14.278 -14.278 1006 1HA GLY 135 2HA GLY 135 119.987 -15.162 -15.162 1007 2HA GLY 135 1HA GLY 135 119.056 -14.700 -14.700 1008 H GLY 136 H GLY 136 118.095 -16.423 -16.423 1009 1HA GLY 136 2HA GLY 136 116.300 -18.110 -18.110 1010 2HA GLY 136 1HA GLY 136 116.926 -18.496 -18.496 1011 H THR 137 H THR 137 119.708 -18.103 -18.103 1012 HA THR 137 HA THR 137 119.772 -20.642 -20.642 1013 HB THR 137 HB THR 137 121.655 -21.403 -21.403 1014 HG1 THR 137 HG1 THR 137 121.728 -20.418 -20.418 1015 1HG2 THR 137 1HG2 THR 137 119.067 -22.040 -22.040 1016 2HG2 THR 137 3HG2 THR 137 119.081 -21.254 -21.254 1017 3HG2 THR 137 2HG2 THR 137 120.124 -22.645 -22.645 1018 H ARG 138 H ARG 138 122.132 -18.495 -18.495 1019 HA ARG 138 HA ARG 138 123.446 -18.074 -18.074 1020 1HB ARG 138 2HB ARG 138 124.434 -18.751 -18.751 1021 2HB ARG 138 1HB ARG 138 125.416 -17.623 -17.623 1022 1HG ARG 138 2HG ARG 138 124.445 -20.062 -20.062 1023 2HG ARG 138 1HG ARG 138 125.718 -20.277 -20.277 1024 1HD ARG 138 2HD ARG 138 126.166 -17.984 -17.984 1025 2HD ARG 138 1HD ARG 138 126.195 -19.570 -19.570 1026 HE ARG 138 HE ARG 138 127.697 -19.372 -19.372 1027 1HH1 ARG 138 2HH1 ARG 138 128.453 -17.884 -17.884 1028 2HH1 ARG 138 1HH1 ARG 138 129.782 -18.899 -18.899 1029 1HH2 ARG 138 1HH2 ARG 138 129.087 -21.336 -21.336 1030 2HH2 ARG 138 2HH2 ARG 138 130.135 -20.854 -20.854 1031 H GLY 139 H GLY 139 124.374 -15.939 -15.939 1032 1HA GLY 139 2HA GLY 139 124.002 -13.855 -13.855 1033 2HA GLY 139 1HA GLY 139 122.876 -13.710 -13.710 1034 H SER 140 H SER 140 126.301 -13.650 -13.650 1035 HA SER 140 HA SER 140 126.837 -11.852 -11.852 1036 1HB SER 140 2HB SER 140 126.913 -14.443 -14.443 1037 2HB SER 140 1HB SER 140 128.520 -14.324 -14.324 1038 HG SER 140 HG SER 140 127.437 -12.935 -12.935 1039 H ASN 141 H ASN 141 128.764 -14.042 -14.042 1040 HA ASN 141 HA ASN 141 130.075 -11.608 -11.608 1041 1HB ASN 141 2HB ASN 141 131.277 -13.976 -13.976 1042 2HB ASN 141 1HB ASN 141 132.223 -13.086 -13.086 1043 1HD2 ASN 141 1HD2 ASN 141 131.264 -13.111 -13.111 1044 2HD2 ASN 141 2HD2 ASN 141 131.750 -11.538 -11.538 1045 H HIS 142 H HIS 142 130.401 -15.162 -15.162 1046 HA HIS 142 HA HIS 142 130.592 -14.958 -14.958 1047 1HB HIS 142 2HB HIS 142 131.892 -16.436 -16.436 1048 2HB HIS 142 1HB HIS 142 130.512 -17.509 -17.509 1049 HD1 HIS 142 HD1 HIS 142 133.249 -18.436 -18.436 1050 HD2 HIS 142 HD2 HIS 142 130.545 -16.395 -16.395 1051 HE1 HIS 142 HE1 HIS 142 133.861 -19.009 -19.009 1052 H ALA 143 H ALA 143 128.154 -14.118 -14.118 1053 HA ALA 143 HA ALA 143 125.938 -15.681 -15.681 1054 1HB ALA 143 2HB ALA 143 126.030 -13.324 -13.324 1055 2HB ALA 143 1HB ALA 143 126.302 -14.006 -14.006 1056 3HB ALA 143 3HB ALA 143 124.785 -14.316 -14.316 1057 H ARG 144 H ARG 144 124.809 -17.389 -17.389 1058 HA ARG 144 HA ARG 144 126.259 -19.284 -19.284 1059 1HB ARG 144 2HB ARG 144 124.309 -19.833 -19.833 1060 2HB ARG 144 1HB ARG 144 123.278 -18.819 -18.819 1061 1HG ARG 144 2HG ARG 144 123.498 -20.279 -20.279 1062 2HG ARG 144 1HG ARG 144 124.842 -21.148 -21.148 1063 1HD ARG 144 2HD ARG 144 123.428 -22.268 -22.268 1064 2HD ARG 144 1HD ARG 144 122.110 -21.102 -21.102 1065 HE ARG 144 HE ARG 144 122.988 -22.656 -22.656 1066 1HH1 ARG 144 2HH1 ARG 144 121.221 -23.589 -23.589 1067 2HH1 ARG 144 1HH1 ARG 144 119.703 -23.755 -23.755 1068 1HH2 ARG 144 1HH2 ARG 144 120.787 -22.176 -22.176 1069 2HH2 ARG 144 2HH2 ARG 144 119.454 -22.936 -22.936 1070 H ILE 145 H ILE 145 125.789 -19.974 -19.974 1071 HA ILE 145 HA ILE 145 126.268 -18.145 -18.145 1072 HB ILE 145 HB ILE 145 126.150 -20.637 -20.637 1073 1HG1 ILE 145 2HG1 ILE 145 124.343 -19.890 -19.890 1074 2HG1 ILE 145 1HG1 ILE 145 125.598 -18.681 -18.681 1075 1HG2 ILE 145 3HG2 ILE 145 123.955 -20.870 -20.870 1076 2HG2 ILE 145 2HG2 ILE 145 123.165 -20.143 -20.143 1077 3HG2 ILE 145 1HG2 ILE 145 123.978 -21.699 -21.699 1078 1HD1 ILE 145 3HD1 ILE 145 127.309 -20.489 -20.489 1079 2HD1 ILE 145 2HD1 ILE 145 126.031 -21.645 -21.645 1080 3HD1 ILE 145 1HD1 ILE 145 126.402 -20.353 -20.353 1081 H ASP 146 H ASP 146 124.991 -16.928 -16.928 1082 HA ASP 146 HA ASP 146 122.184 -16.800 -16.800 1083 1HB ASP 146 2HB ASP 146 123.121 -15.888 -15.888 1084 2HB ASP 146 1HB ASP 146 122.888 -14.403 -14.403 1085 H ALA 147 H ALA 147 123.000 -16.466 -16.466 1086 HA ALA 147 HA ALA 147 123.523 -15.084 -15.084 1087 1HB ALA 147 1HB ALA 147 121.831 -13.740 -13.740 1088 2HB ALA 147 3HB ALA 147 123.162 -12.599 -12.599 1089 3HB ALA 147 2HB ALA 147 122.286 -13.170 -13.170 1090 H ALA 148 H ALA 148 124.829 -12.719 -12.719 1091 HA ALA 148 HA ALA 148 126.979 -11.730 -11.730 1092 1HB ALA 148 1HB ALA 148 125.936 -11.779 -11.779 1093 2HB ALA 148 3HB ALA 148 127.323 -12.829 -12.829 1094 3HB ALA 148 2HB ALA 148 127.564 -11.182 -11.182 1095 H GLU 149 H GLU 149 129.331 -12.490 -12.490 1096 HA GLU 149 HA GLU 149 130.291 -14.633 -14.633 1097 1HB GLU 149 2HB GLU 149 131.244 -12.680 -12.680 1098 2HB GLU 149 1HB GLU 149 131.787 -14.219 -14.219 1099 1HG GLU 149 2HG GLU 149 133.378 -14.383 -14.383 1100 2HG GLU 149 1HG GLU 149 132.170 -14.246 -14.246 1101 H GLY 150 H GLY 150 131.781 -16.136 -16.136 1102 1HA GLY 150 2HA GLY 150 130.213 -17.367 -17.367 1103 2HA GLY 150 1HA GLY 150 129.927 -18.268 -18.268 1104 HA PRO 151 HA PRO 151 134.162 -19.227 -19.227 1105 1HB PRO 151 2HB PRO 151 133.563 -21.320 -21.320 1106 2HB PRO 151 1HB PRO 151 133.601 -19.631 -19.631 1107 1HG PRO 151 2HG PRO 151 131.272 -21.342 -21.342 1108 2HG PRO 151 1HG PRO 151 131.442 -20.137 -20.137 1109 1HD PRO 151 2HD PRO 151 130.120 -19.677 -19.677 1110 2HD PRO 151 1HD PRO 151 130.885 -18.399 -18.399 1111 H SER 152 H SER 152 135.321 -20.693 -20.693 1112 HA SER 152 HA SER 152 134.416 -23.339 -23.339 1113 1HB SER 152 2HB SER 152 132.827 -22.423 -22.423 1114 2HB SER 152 1HB SER 152 133.816 -21.008 -21.008 1115 HG SER 152 HG SER 152 133.921 -23.601 -23.601 1116 H ASP 153 H ASP 153 136.725 -23.572 -23.572 1117 HA ASP 153 HA ASP 153 138.970 -22.352 -22.352 1118 1HB ASP 153 2HB ASP 153 138.289 -24.770 -24.770 1119 2HB ASP 153 1HB ASP 153 139.572 -25.094 -25.094 1120 H ILE 154 H ILE 154 140.213 -22.818 -22.818 1121 HA ILE 154 HA ILE 154 138.894 -24.619 -24.619 1122 HB ILE 154 HB ILE 154 140.261 -21.953 -21.953 1123 1HG1 ILE 154 2HG1 ILE 154 137.385 -22.141 -22.141 1124 2HG1 ILE 154 1HG1 ILE 154 137.757 -22.354 -22.354 1125 1HG2 ILE 154 1HG2 ILE 154 140.081 -23.876 -23.876 1126 2HG2 ILE 154 3HG2 ILE 154 138.383 -23.406 -23.406 1127 3HG2 ILE 154 2HG2 ILE 154 139.641 -22.233 -22.233 1128 1HD1 ILE 154 2HD1 ILE 154 139.169 -20.269 -20.269 1129 2HD1 ILE 154 1HD1 ILE 154 138.555 -20.026 -20.026 1130 3HD1 ILE 154 3HD1 ILE 154 137.447 -19.993 -19.993 1131 HA PRO 155 HA PRO 155 143.325 -25.730 -25.730 1132 1HB PRO 155 2HB PRO 155 142.901 -28.414 -28.414 1133 2HB PRO 155 1HB PRO 155 142.793 -27.258 -27.258 1134 1HG PRO 155 2HG PRO 155 140.626 -28.554 -28.554 1135 2HG PRO 155 1HG PRO 155 140.682 -28.119 -28.119 1136 1HD PRO 155 2HD PRO 155 139.359 -26.684 -26.684 1137 2HD PRO 155 1HD PRO 155 139.894 -26.019 -26.019 1138 H ASP 156 HN ASP 156 144.362 -25.827 -25.827 1139 HA ASP 156 HA ASP 156 143.137 -27.433 -27.433 1140 1HB ASP 156 2HB ASP 156 143.466 -25.074 -25.074 1141 2HB ASP 156 1HB ASP 156 145.135 -25.147 -25.147 Start of MODEL 5 1 1H MET 1 1H MET 1 135.561 19.421 19.421 2 2H MET 1 3H MET 1 136.247 18.219 18.219 3 3H MET 1 2H MET 1 136.204 19.830 19.830 4 HA MET 1 HA MET 1 134.010 19.757 19.757 5 1HB MET 1 2HB MET 1 135.646 17.536 17.536 6 2HB MET 1 1HB MET 1 134.055 16.866 16.866 7 1HG MET 1 2HG MET 1 133.468 17.442 17.442 8 2HG MET 1 1HG MET 1 133.484 19.115 19.115 9 1HE MET 1 2HE MET 1 135.646 16.220 16.220 10 2HE MET 1 1HE MET 1 135.354 16.531 16.531 11 3HE MET 1 3HE MET 1 136.966 16.777 16.777 12 H GLU 2 H GLU 2 132.016 19.758 19.758 13 HA GLU 2 HA GLU 2 131.587 17.916 17.916 14 1HB GLU 2 2HB GLU 2 131.449 20.727 20.727 15 2HB GLU 2 1HB GLU 2 129.781 20.176 20.176 16 1HG GLU 2 2HG GLU 2 131.113 18.688 18.688 17 2HG GLU 2 1HG GLU 2 131.897 20.263 20.263 18 HA PRO 3 HA PRO 3 128.272 16.143 16.143 19 1HB PRO 3 2HB PRO 3 126.762 15.143 15.143 20 2HB PRO 3 1HB PRO 3 128.291 14.407 14.407 21 1HG PRO 3 2HG PRO 3 127.739 16.192 16.192 22 2HG PRO 3 1HG PRO 3 128.811 14.788 14.788 23 1HD PRO 3 2HD PRO 3 129.692 17.369 17.369 24 2HD PRO 3 1HD PRO 3 130.536 16.011 16.011 25 H ALA 4 H ALA 4 125.655 16.089 16.089 26 HA ALA 4 HA ALA 4 124.720 18.757 18.757 27 1HB ALA 4 3HB ALA 4 125.130 17.876 17.876 28 2HB ALA 4 2HB ALA 4 123.415 18.186 18.186 29 3HB ALA 4 1HB ALA 4 124.599 19.457 19.457 30 H ALA 5 H ALA 5 123.686 17.468 17.468 31 HA ALA 5 HA ALA 5 121.006 16.575 16.575 32 1HB ALA 5 3HB ALA 5 123.281 14.694 14.694 33 2HB ALA 5 2HB ALA 5 121.784 14.238 14.238 34 3HB ALA 5 1HB ALA 5 121.794 14.504 14.504 35 H GLY 6 H GLY 6 120.355 15.091 15.091 36 1HA GLY 6 2HA GLY 6 121.121 16.892 16.892 37 2HA GLY 6 1HA GLY 6 119.502 16.220 16.220 38 H SER 7 H SER 7 120.234 15.537 15.537 39 HA SER 7 HA SER 7 120.856 13.791 13.791 40 1HB SER 7 2HB SER 7 119.191 12.778 12.778 41 2HB SER 7 1HB SER 7 120.584 12.108 12.108 42 HG SER 7 HG SER 7 121.060 10.882 10.882 43 H SER 8 H SER 8 123.103 14.837 14.837 44 HA SER 8 HA SER 8 125.120 12.812 12.812 45 1HB SER 8 2HB SER 8 126.132 14.489 14.489 46 2HB SER 8 1HB SER 8 125.276 12.987 12.987 47 HG SER 8 HG SER 8 124.315 15.642 15.642 48 H MET 9 H MET 9 124.363 16.269 16.269 49 HA MET 9 HA MET 9 127.004 16.949 16.949 50 1HB MET 9 2HB MET 9 124.459 18.585 18.585 51 2HB MET 9 1HB MET 9 126.094 19.212 19.212 52 1HG MET 9 2HG MET 9 125.348 17.464 17.464 53 2HG MET 9 1HG MET 9 125.174 19.217 19.217 54 1HE MET 9 3HE MET 9 126.905 20.858 20.858 55 2HE MET 9 2HE MET 9 127.347 20.571 20.571 56 3HE MET 9 1HE MET 9 128.605 20.677 20.677 57 H GLU 10 H GLU 10 123.942 15.910 15.910 58 HA GLU 10 HA GLU 10 124.857 15.885 15.885 59 1HB GLU 10 2HB GLU 10 124.017 18.343 18.343 60 2HB GLU 10 1HB GLU 10 122.530 17.694 17.694 61 1HG GLU 10 2HG GLU 10 124.257 17.020 17.020 62 2HG GLU 10 1HG GLU 10 125.069 18.460 18.460 63 HA PRO 11 HA PRO 11 121.560 12.878 12.878 64 1HB PRO 11 2HB PRO 11 122.080 11.349 11.349 65 2HB PRO 11 1HB PRO 11 123.009 11.223 11.223 66 1HG PRO 11 2HG PRO 11 123.694 12.649 12.649 67 2HG PRO 11 1HG PRO 11 124.728 11.692 11.692 68 1HD PRO 11 2HD PRO 11 124.698 14.409 14.409 69 2HD PRO 11 1HD PRO 11 125.061 13.435 13.435 70 H SER 12 H SER 12 120.067 14.717 14.717 71 HA SER 12 HA SER 12 119.254 14.856 14.856 72 1HB SER 12 2HB SER 12 119.299 17.027 17.027 73 2HB SER 12 1HB SER 12 119.190 16.567 16.567 74 HG SER 12 HG SER 12 117.206 17.194 17.194 75 H ALA 13 H ALA 13 118.607 12.754 12.754 76 HA ALA 13 HA ALA 13 115.729 12.848 12.848 77 1HB ALA 13 1HB ALA 13 117.921 10.815 10.815 78 2HB ALA 13 3HB ALA 13 116.229 10.386 10.386 79 3HB ALA 13 2HB ALA 13 116.972 11.668 11.668 80 H ASP 14 H ASP 14 115.687 13.263 13.263 81 HA ASP 14 HA ASP 14 115.739 10.743 10.743 82 1HB ASP 14 2HB ASP 14 115.228 12.330 12.330 83 2HB ASP 14 1HB ASP 14 116.682 12.764 12.764 84 H TRP 15 H TRP 15 113.649 11.630 11.630 85 HA TRP 15 HA TRP 15 111.109 12.166 12.166 86 1HB TRP 15 2HB TRP 15 111.916 10.060 10.060 87 2HB TRP 15 1HB TRP 15 110.328 10.805 10.805 88 HD1 TRP 15 HD1 TRP 15 112.419 13.591 13.591 89 HE1 TRP 15 HE1 TRP 15 112.999 14.968 14.968 90 HE3 TRP 15 HE3 TRP 15 111.146 10.237 10.237 91 HZ2 TRP 15 HZ2 TRP 15 112.928 14.684 14.684 92 HZ3 TRP 15 HZ3 TRP 15 111.408 10.813 10.813 93 HH2 TRP 15 HH2 TRP 15 112.299 13.031 13.031 94 H LEU 16 H LEU 16 112.732 8.972 8.972 95 HA LEU 16 HA LEU 16 110.587 7.436 7.436 96 1HB LEU 16 2HB LEU 16 113.534 7.100 7.100 97 2HB LEU 16 1HB LEU 16 112.311 5.839 5.839 98 HG LEU 16 HG LEU 16 113.528 7.406 7.406 99 1HD1 LEU 16 2HD1 LEU 16 113.394 4.529 4.529 100 2HD1 LEU 16 1HD1 LEU 16 113.741 4.944 4.944 101 3HD1 LEU 16 3HD1 LEU 16 114.815 5.495 5.495 102 1HD2 LEU 16 3HD2 LEU 16 110.991 5.756 5.756 103 2HD2 LEU 16 2HD2 LEU 16 111.201 7.390 7.390 104 3HD2 LEU 16 1HD2 LEU 16 111.889 6.019 6.019 105 H ALA 17 H ALA 17 113.381 8.812 8.812 106 HA ALA 17 HA ALA 17 112.506 8.330 8.330 107 1HB ALA 17 3HB ALA 17 114.737 9.205 9.205 108 2HB ALA 17 2HB ALA 17 113.995 10.802 10.802 109 3HB ALA 17 1HB ALA 17 114.234 9.856 9.856 110 H THR 18 H THR 18 112.085 11.327 11.327 111 HA THR 18 HA THR 18 110.634 12.879 12.879 112 HB THR 18 HB THR 18 109.491 13.482 13.482 113 HG1 THR 18 HG1 THR 18 111.558 13.113 13.113 114 1HG2 THR 18 1HG2 THR 18 111.101 14.747 14.747 115 2HG2 THR 18 3HG2 THR 18 112.350 14.235 14.235 116 3HG2 THR 18 2HG2 THR 18 111.015 15.245 15.245 117 H ALA 19 H ALA 19 109.053 11.061 11.061 118 HA ALA 19 HA ALA 19 106.419 11.214 11.214 119 1HB ALA 19 1HB ALA 19 107.789 9.139 9.139 120 2HB ALA 19 3HB ALA 19 106.041 9.313 9.313 121 3HB ALA 19 2HB ALA 19 106.993 10.609 10.609 122 H ALA 20 H ALA 20 108.754 8.497 8.497 123 HA ALA 20 HA ALA 20 107.285 6.702 6.702 124 1HB ALA 20 2HB ALA 20 110.231 7.435 7.435 125 2HB ALA 20 1HB ALA 20 109.547 5.946 5.946 126 3HB ALA 20 3HB ALA 20 109.489 6.260 6.260 127 H ALA 21 H ALA 21 109.618 9.099 9.099 128 HA ALA 21 HA ALA 21 109.125 8.796 8.796 129 1HB ALA 21 1HB ALA 21 110.842 10.193 10.193 130 2HB ALA 21 3HB ALA 21 109.600 11.443 11.443 131 3HB ALA 21 2HB ALA 21 110.227 10.903 10.903 132 H ARG 22 H ARG 22 107.122 10.352 10.352 133 HA ARG 22 HA ARG 22 105.413 11.580 11.580 134 1HB ARG 22 2HB ARG 22 106.360 12.524 12.524 135 2HB ARG 22 1HB ARG 22 104.850 11.819 11.819 136 1HG ARG 22 2HG ARG 22 103.906 13.773 13.773 137 2HG ARG 22 1HG ARG 22 104.028 13.109 13.109 138 1HD ARG 22 2HD ARG 22 105.583 14.654 14.654 139 2HD ARG 22 1HD ARG 22 106.554 14.307 14.307 140 HE ARG 22 HE ARG 22 104.549 16.419 16.419 141 1HH1 ARG 22 1HH2 ARG 22 107.004 16.784 16.784 142 2HH1 ARG 22 2HH2 ARG 22 106.431 16.622 16.622 143 1HH2 ARG 22 2HH1 ARG 22 103.445 15.120 15.120 144 2HH2 ARG 22 1HH1 ARG 22 104.418 15.682 15.682 145 H GLY 23 H GLY 23 105.536 8.585 8.585 146 1HA GLY 23 2HA GLY 23 104.027 6.817 6.817 147 2HA GLY 23 1HA GLY 23 102.840 7.931 7.931 148 H ARG 24 H ARG 24 104.652 8.021 8.021 149 HA ARG 24 HA ARG 24 102.011 8.170 8.170 150 1HB ARG 24 2HB ARG 24 104.436 9.797 9.797 151 2HB ARG 24 1HB ARG 24 104.020 9.282 9.282 152 1HG ARG 24 2HG ARG 24 101.695 10.113 10.113 153 2HG ARG 24 1HG ARG 24 102.197 10.717 10.717 154 1HD ARG 24 2HD ARG 24 103.614 12.357 12.357 155 2HD ARG 24 1HD ARG 24 103.685 11.527 11.527 156 HE ARG 24 HE ARG 24 100.990 12.052 12.052 157 1HH1 ARG 24 1HH2 ARG 24 102.397 14.351 14.351 158 2HH1 ARG 24 2HH2 ARG 24 102.311 15.621 15.621 159 1HH2 ARG 24 2HH1 ARG 24 101.502 13.503 13.503 160 2HH2 ARG 24 1HH1 ARG 24 101.806 15.141 15.141 161 H VAL 25 H VAL 25 102.351 5.690 5.690 162 HA VAL 25 HA VAL 25 104.458 4.365 4.365 163 HB VAL 25 HB VAL 25 101.529 3.620 3.620 164 1HG1 VAL 25 1HG1 VAL 25 102.811 2.223 2.223 165 2HG1 VAL 25 3HG1 VAL 25 103.999 1.895 1.895 166 3HG1 VAL 25 2HG1 VAL 25 102.342 1.315 1.315 167 1HG2 VAL 25 3HG2 VAL 25 103.397 4.148 4.148 168 2HG2 VAL 25 2HG2 VAL 25 101.899 3.234 3.234 169 3HG2 VAL 25 1HG2 VAL 25 103.411 2.392 2.392 170 H GLU 26 H GLU 26 101.153 4.971 4.971 171 HA GLU 26 HA GLU 26 101.469 4.156 4.156 172 1HB GLU 26 2HB GLU 26 99.992 6.564 6.564 173 2HB GLU 26 1HB GLU 26 99.668 5.822 5.822 174 1HG GLU 26 2HG GLU 26 99.679 3.754 3.754 175 2HG GLU 26 1HG GLU 26 98.633 5.060 5.060 176 H GLU 27 H GLU 27 102.532 7.225 7.225 177 HA GLU 27 HA GLU 27 103.273 8.472 8.472 178 1HB GLU 27 2HB GLU 27 103.223 9.034 9.034 179 2HB GLU 27 1HB GLU 27 104.835 9.415 9.415 180 1HG GLU 27 2HG GLU 27 103.912 11.382 11.382 181 2HG GLU 27 1HG GLU 27 103.234 10.442 10.442 182 H VAL 28 H VAL 28 105.013 6.525 6.525 183 HA VAL 28 HA VAL 28 107.594 6.761 6.761 184 HB VAL 28 HB VAL 28 106.564 4.765 4.765 185 1HG1 VAL 28 1HG1 VAL 28 109.012 4.915 4.915 186 2HG1 VAL 28 3HG1 VAL 28 109.338 5.594 5.594 187 3HG1 VAL 28 2HG1 VAL 28 108.670 3.968 3.968 188 1HG2 VAL 28 1HG2 VAL 28 106.554 7.467 7.467 189 2HG2 VAL 28 3HG2 VAL 28 106.845 6.331 6.331 190 3HG2 VAL 28 2HG2 VAL 28 108.204 7.097 7.097 191 H ARG 29 H ARG 29 105.185 4.104 4.104 192 HA ARG 29 HA ARG 29 106.339 2.050 2.050 193 1HB ARG 29 2HB ARG 29 103.727 2.962 2.962 194 2HB ARG 29 1HB ARG 29 103.651 2.406 2.406 195 1HG ARG 29 2HG ARG 29 103.218 0.501 0.501 196 2HG ARG 29 1HG ARG 29 104.835 0.299 0.299 197 1HD ARG 29 2HD ARG 29 105.717 1.410 1.410 198 2HD ARG 29 1HD ARG 29 104.089 1.167 1.167 199 HE ARG 29 HE ARG 29 105.998 -0.885 -0.885 200 1HH1 ARG 29 1HH2 ARG 29 103.039 -0.987 -0.987 201 2HH1 ARG 29 2HH2 ARG 29 102.467 -2.324 -2.324 202 1HH2 ARG 29 2HH1 ARG 29 105.186 -2.308 -2.308 203 2HH2 ARG 29 1HH1 ARG 29 103.682 -3.072 -3.072 204 H ALA 30 H ALA 30 104.626 4.868 4.868 205 HA ALA 30 HA ALA 30 105.134 4.130 4.130 206 1HB ALA 30 1HB ALA 30 104.060 6.436 6.436 207 2HB ALA 30 3HB ALA 30 104.573 6.758 6.758 208 3HB ALA 30 2HB ALA 30 103.324 5.555 5.555 209 H LEU 31 H LEU 31 106.511 6.647 6.647 210 HA LEU 31 HA LEU 31 108.456 7.728 7.728 211 1HB LEU 31 2HB LEU 31 108.345 7.206 7.206 212 2HB LEU 31 1HB LEU 31 109.669 8.113 8.113 213 HG LEU 31 HG LEU 31 106.763 8.822 8.822 214 1HD1 LEU 31 3HD1 LEU 31 108.724 9.895 9.895 215 2HD1 LEU 31 2HD1 LEU 31 107.158 10.616 10.616 216 3HD1 LEU 31 1HD1 LEU 31 107.246 9.005 9.005 217 1HD2 LEU 31 1HD2 LEU 31 108.950 9.575 9.575 218 2HD2 LEU 31 3HD2 LEU 31 107.562 10.633 10.633 219 3HD2 LEU 31 2HD2 LEU 31 108.989 10.790 10.790 220 H LEU 32 H LEU 32 109.257 5.333 5.333 221 HA LEU 32 HA LEU 32 111.809 4.596 4.596 222 1HB LEU 32 2HB LEU 32 110.068 3.768 3.768 223 2HB LEU 32 1HB LEU 32 109.717 2.524 2.524 224 HG LEU 32 HG LEU 32 111.409 1.348 1.348 225 1HD1 LEU 32 3HD1 LEU 32 113.169 3.565 3.565 226 2HD1 LEU 32 2HD1 LEU 32 113.718 1.966 1.966 227 3HD1 LEU 32 1HD1 LEU 32 112.636 2.147 2.147 228 1HD2 LEU 32 1HD2 LEU 32 111.809 3.906 3.906 229 2HD2 LEU 32 3HD2 LEU 32 111.556 2.279 2.279 230 3HD2 LEU 32 2HD2 LEU 32 113.144 2.752 2.752 231 H GLU 33 H GLU 33 108.960 2.834 2.834 232 HA GLU 33 HA GLU 33 110.536 1.442 1.442 233 1HB GLU 33 2HB GLU 33 108.017 1.262 1.262 234 2HB GLU 33 1HB GLU 33 107.661 1.713 1.713 235 1HG GLU 33 2HG GLU 33 109.320 -0.137 -0.137 236 2HG GLU 33 1HG GLU 33 109.198 -0.691 -0.691 237 H ALA 34 H ALA 34 109.244 4.640 4.640 238 HA ALA 34 HA ALA 34 108.893 4.896 4.896 239 1HB ALA 34 2HB ALA 34 108.746 6.718 6.718 240 2HB ALA 34 1HB ALA 34 108.619 7.357 7.357 241 3HB ALA 34 3HB ALA 34 107.435 6.188 6.188 242 H GLY 35 H GLY 35 111.580 4.922 4.922 243 1HA GLY 35 2HA GLY 35 113.728 5.137 5.137 244 2HA GLY 35 1HA GLY 35 113.081 6.707 6.707 245 H ALA 36 H ALA 36 112.031 6.607 6.607 246 HA ALA 36 HA ALA 36 113.781 8.498 8.498 247 1HB ALA 36 3HB ALA 36 111.946 6.391 6.391 248 2HB ALA 36 2HB ALA 36 112.879 7.410 7.410 249 3HB ALA 36 1HB ALA 36 111.732 8.139 8.139 250 H LEU 37 H LEU 37 115.692 8.374 8.374 251 HA LEU 37 HA LEU 37 117.526 6.248 6.248 252 1HB LEU 37 2HB LEU 37 117.292 8.705 8.705 253 2HB LEU 37 1HB LEU 37 118.429 7.512 7.512 254 HG LEU 37 HG LEU 37 119.481 7.399 7.399 255 1HD1 LEU 37 3HD1 LEU 37 117.181 8.618 8.618 256 2HD1 LEU 37 2HD1 LEU 37 118.289 9.986 9.986 257 3HD1 LEU 37 1HD1 LEU 37 118.682 8.583 8.583 258 1HD2 LEU 37 1HD2 LEU 37 119.510 9.679 9.679 259 2HD2 LEU 37 3HD2 LEU 37 120.858 8.794 8.794 260 3HD2 LEU 37 2HD2 LEU 37 120.080 10.090 10.090 261 HA PRO 38 HA PRO 38 116.309 3.315 3.315 262 1HB PRO 38 2HB PRO 38 118.672 2.007 2.007 263 2HB PRO 38 1HB PRO 38 117.703 1.818 1.818 264 1HG PRO 38 2HG PRO 38 120.176 3.388 3.388 265 2HG PRO 38 1HG PRO 38 119.625 2.532 2.532 266 1HD PRO 38 2HD PRO 38 119.468 5.268 5.268 267 2HD PRO 38 1HD PRO 38 118.498 4.341 4.341 268 H ASN 39 H ASN 39 119.575 4.589 4.589 269 HA ASN 39 HA ASN 39 118.838 4.607 4.607 270 1HB ASN 39 2HB ASN 39 121.430 5.025 5.025 271 2HB ASN 39 1HB ASN 39 121.300 5.011 5.011 272 1HD2 ASN 39 1HD2 ASN 39 120.292 2.921 2.921 273 2HD2 ASN 39 2HD2 ASN 39 120.651 1.461 1.461 274 H ALA 40 H ALA 40 120.720 6.837 6.837 275 HA ALA 40 HA ALA 40 120.728 9.200 9.200 276 1HB ALA 40 3HB ALA 40 117.985 8.247 8.247 277 2HB ALA 40 2HB ALA 40 118.164 9.839 9.839 278 3HB ALA 40 1HB ALA 40 118.613 9.591 9.591 279 HA PRO 41 HA PRO 41 121.702 9.522 9.522 280 1HB PRO 41 2HB PRO 41 123.675 11.399 11.399 281 2HB PRO 41 1HB PRO 41 123.944 9.655 9.655 282 1HG PRO 41 2HG PRO 41 123.516 11.743 11.743 283 2HG PRO 41 1HG PRO 41 124.628 10.365 10.365 284 1HD PRO 41 2HD PRO 41 122.287 10.351 10.351 285 2HD PRO 41 1HD PRO 41 123.009 8.880 8.880 286 H ASN 42 H ASN 42 120.374 10.756 10.756 287 HA ASN 42 HA ASN 42 119.527 13.438 13.438 288 1HB ASN 42 2HB ASN 42 117.694 13.075 13.075 289 2HB ASN 42 1HB ASN 42 117.753 11.829 11.829 290 1HD2 ASN 42 1HD2 ASN 42 117.429 9.804 9.804 291 2HD2 ASN 42 2HD2 ASN 42 118.045 9.310 9.310 292 H SER 43 H SER 43 118.782 14.633 14.633 293 HA SER 43 HA SER 43 121.423 15.050 15.050 294 1HB SER 43 2HB SER 43 119.696 17.025 17.025 295 2HB SER 43 1HB SER 43 120.772 17.158 17.158 296 HG SER 43 HG SER 43 118.026 16.513 16.513 297 H TYR 44 H TYR 44 119.827 12.726 12.726 298 HA TYR 44 HA TYR 44 119.039 13.513 13.513 299 1HB TYR 44 2HB TYR 44 117.838 11.725 11.725 300 2HB TYR 44 1HB TYR 44 117.622 11.295 11.295 301 HD1 TYR 44 HD2 TYR 44 117.076 13.975 13.975 302 HD2 TYR 44 HD1 TYR 44 116.169 12.536 12.536 303 HE1 TYR 44 HE2 TYR 44 115.284 15.675 15.675 304 HE2 TYR 44 HE1 TYR 44 114.374 14.234 14.234 305 HH TYR 44 HH TYR 44 113.600 16.218 16.218 306 H GLY 45 H GLY 45 121.576 12.240 12.240 307 1HA GLY 45 2HA GLY 45 123.232 10.697 10.697 308 2HA GLY 45 1HA GLY 45 122.585 10.821 10.821 309 H ARG 46 H ARG 46 120.496 9.754 9.754 310 HA ARG 46 HA ARG 46 120.988 6.898 6.898 311 1HB ARG 46 2HB ARG 46 118.766 6.536 6.536 312 2HB ARG 46 1HB ARG 46 119.710 7.663 7.663 313 1HG ARG 46 2HG ARG 46 118.484 9.410 9.410 314 2HG ARG 46 1HG ARG 46 117.259 8.142 8.142 315 1HD ARG 46 2HD ARG 46 118.501 9.040 9.040 316 2HD ARG 46 1HD ARG 46 117.258 10.058 10.058 317 HE ARG 46 HE ARG 46 116.562 7.214 7.214 318 1HH1 ARG 46 1HH2 ARG 46 114.792 9.761 9.761 319 2HH1 ARG 46 2HH2 ARG 46 114.182 9.639 9.639 320 1HH2 ARG 46 2HH1 ARG 46 116.503 7.252 7.252 321 2HH2 ARG 46 1HH1 ARG 46 115.153 8.218 8.218 322 H ARG 47 H ARG 47 120.442 5.779 5.779 323 HA ARG 47 HA ARG 47 119.446 6.981 6.981 324 1HB ARG 47 2HB ARG 47 120.335 4.423 4.423 325 2HB ARG 47 1HB ARG 47 118.976 4.196 4.196 326 1HG ARG 47 2HG ARG 47 120.366 4.486 4.486 327 2HG ARG 47 1HG ARG 47 120.669 6.133 6.133 328 1HD ARG 47 2HD ARG 47 122.195 4.466 4.466 329 2HD ARG 47 1HD ARG 47 122.468 3.878 3.878 330 HE ARG 47 HE ARG 47 122.841 6.388 6.388 331 1HH1 ARG 47 2HH1 ARG 47 124.409 4.511 4.511 332 2HH1 ARG 47 1HH1 ARG 47 125.194 5.819 5.819 333 1HH2 ARG 47 1HH2 ARG 47 123.431 8.288 8.288 334 2HH2 ARG 47 2HH2 ARG 47 124.647 7.954 7.954 335 HA PRO 48 HA PRO 48 115.056 6.603 6.603 336 1HB PRO 48 2HB PRO 48 114.271 4.686 4.686 337 2HB PRO 48 1HB PRO 48 114.840 6.301 6.301 338 1HG PRO 48 2HG PRO 48 116.336 3.718 3.718 339 2HG PRO 48 1HG PRO 48 116.340 4.980 4.980 340 1HD PRO 48 2HD PRO 48 118.321 4.771 4.771 341 2HD PRO 48 1HD PRO 48 117.759 6.356 6.356 342 H ILE 49 H ILE 49 113.134 4.779 4.779 343 HA ILE 49 HA ILE 49 112.125 3.111 3.111 344 HB ILE 49 HB ILE 49 114.959 2.040 2.040 345 1HG1 ILE 49 2HG1 ILE 49 112.385 1.682 1.682 346 2HG1 ILE 49 1HG1 ILE 49 114.010 1.936 1.936 347 1HG2 ILE 49 2HG2 ILE 49 113.597 1.251 1.251 348 2HG2 ILE 49 1HG2 ILE 49 112.487 0.520 0.520 349 3HG2 ILE 49 3HG2 ILE 49 114.166 -0.014 -0.014 350 1HD1 ILE 49 1HD1 ILE 49 114.599 -0.351 -0.351 351 2HD1 ILE 49 3HD1 ILE 49 112.869 -0.582 -0.582 352 3HD1 ILE 49 2HD1 ILE 49 113.505 -0.367 -0.367 353 H GLN 50 H GLN 50 115.403 3.483 3.483 354 HA GLN 50 HA GLN 50 114.701 3.306 3.306 355 1HB GLN 50 2HB GLN 50 116.939 3.815 3.815 356 2HB GLN 50 1HB GLN 50 116.612 5.443 5.443 357 1HG GLN 50 2HG GLN 50 116.459 4.526 4.526 358 2HG GLN 50 1HG GLN 50 116.914 2.942 2.942 359 1HE2 GLN 50 1HE2 GLN 50 118.322 5.263 5.263 360 2HE2 GLN 50 2HE2 GLN 50 119.874 5.295 5.295 361 H VAL 51 H VAL 51 114.086 5.898 5.898 362 HA VAL 51 HA VAL 51 112.802 7.499 7.499 363 HB VAL 51 HB VAL 51 114.860 8.470 8.470 364 1HG1 VAL 51 1HG1 VAL 51 113.176 8.156 8.156 365 2HG1 VAL 51 3HG1 VAL 51 114.466 9.354 9.354 366 3HG1 VAL 51 2HG1 VAL 51 114.840 7.640 7.640 367 1HG2 VAL 51 1HG2 VAL 51 112.522 9.719 9.719 368 2HG2 VAL 51 3HG2 VAL 51 113.982 10.574 10.574 369 3HG2 VAL 51 2HG2 VAL 51 112.715 10.227 10.227 370 H MET 52 H MET 52 111.567 5.325 5.325 371 HA MET 52 HA MET 52 109.809 6.763 6.763 372 1HB MET 52 2HB MET 52 109.077 4.483 4.483 373 2HB MET 52 1HB MET 52 110.835 4.567 4.567 374 1HG MET 52 2HG MET 52 110.880 2.884 2.884 375 2HG MET 52 1HG MET 52 110.040 3.910 3.910 376 1HE MET 52 1HE MET 52 110.290 0.794 0.794 377 2HE MET 52 3HE MET 52 109.370 0.935 0.935 378 3HE MET 52 2HE MET 52 108.701 0.047 0.047 379 H MET 53 H MET 53 109.540 7.439 7.439 380 HA MET 53 HA MET 53 107.767 7.836 7.836 381 1HB MET 53 2HB MET 53 106.613 7.839 7.839 382 2HB MET 53 1HB MET 53 105.992 6.268 6.268 383 1HG MET 53 2HG MET 53 105.747 8.515 8.515 384 2HG MET 53 1HG MET 53 104.676 8.534 8.534 385 1HE MET 53 1HE MET 53 103.498 6.601 6.601 386 2HE MET 53 3HE MET 53 104.399 5.140 5.140 387 3HE MET 53 2HE MET 53 102.731 5.339 5.339 388 H MET 54 H MET 54 108.747 4.701 4.701 389 HA MET 54 HA MET 54 108.549 2.576 2.576 390 1HB MET 54 2HB MET 54 108.795 4.687 4.687 391 2HB MET 54 1HB MET 54 108.289 3.104 3.104 392 1HG MET 54 2HG MET 54 110.797 3.449 3.449 393 2HG MET 54 1HG MET 54 110.234 2.040 2.040 394 1HE MET 54 1HE MET 54 110.649 1.435 1.435 395 2HE MET 54 3HE MET 54 111.202 2.271 2.271 396 3HE MET 54 2HE MET 54 112.346 1.866 1.866 397 H GLY 55 H GLY 55 106.049 3.991 3.991 398 1HA GLY 55 2HA GLY 55 104.136 2.385 2.385 399 2HA GLY 55 1HA GLY 55 103.751 4.051 4.051 400 H SER 56 H SER 56 105.586 2.433 2.433 401 HA SER 56 HA SER 56 103.176 1.529 1.529 402 1HB SER 56 2HB SER 56 105.031 3.800 3.800 403 2HB SER 56 1HB SER 56 104.453 2.844 2.844 404 HG SER 56 HG SER 56 102.899 4.173 4.173 405 H ALA 57 H ALA 57 104.310 -0.560 -0.560 406 HA ALA 57 HA ALA 57 106.894 -1.362 -1.362 407 1HB ALA 57 3HB ALA 57 104.249 -2.844 -2.844 408 2HB ALA 57 2HB ALA 57 105.830 -3.623 -3.623 409 3HB ALA 57 1HB ALA 57 105.303 -2.735 -2.735 410 H ARG 58 H ARG 58 104.076 -0.824 -0.824 411 HA ARG 58 HA ARG 58 104.842 -2.158 -2.158 412 1HB ARG 58 2HB ARG 58 103.393 0.477 0.477 413 2HB ARG 58 1HB ARG 58 103.314 -0.490 -0.490 414 1HG ARG 58 2HG ARG 58 101.594 -1.624 -1.624 415 2HG ARG 58 1HG ARG 58 102.735 -2.281 -2.281 416 1HD ARG 58 2HD ARG 58 101.299 -1.248 -1.248 417 2HD ARG 58 1HD ARG 58 102.282 0.177 0.177 418 HE ARG 58 HE ARG 58 100.523 0.958 0.958 419 1HH1 ARG 58 2HH1 ARG 58 98.970 -0.479 -0.479 420 2HH1 ARG 58 1HH1 ARG 58 97.751 -1.284 -1.284 421 1HH2 ARG 58 1HH2 ARG 58 99.376 -0.821 -0.821 422 2HH2 ARG 58 2HH2 ARG 58 97.979 -1.478 -1.478 423 H VAL 59 H VAL 59 105.904 0.909 0.909 424 HA VAL 59 HA VAL 59 107.231 2.049 2.049 425 HB VAL 59 HB VAL 59 107.755 2.078 2.078 426 1HG1 VAL 59 2HG1 VAL 59 109.421 3.057 3.057 427 2HG1 VAL 59 1HG1 VAL 59 108.763 4.424 4.424 428 3HG1 VAL 59 3HG1 VAL 59 109.679 3.177 3.177 429 1HG2 VAL 59 1HG2 VAL 59 105.628 3.066 3.066 430 2HG2 VAL 59 3HG2 VAL 59 106.312 3.867 3.867 431 3HG2 VAL 59 2HG2 VAL 59 106.735 4.424 4.424 432 H ALA 60 H ALA 60 108.796 0.299 0.299 433 HA ALA 60 HA ALA 60 111.301 -0.178 -0.178 434 1HB ALA 60 3HB ALA 60 109.536 -1.659 -1.659 435 2HB ALA 60 2HB ALA 60 111.134 -2.284 -2.284 436 3HB ALA 60 1HB ALA 60 110.975 -0.694 -0.694 437 H GLU 61 H GLU 61 108.300 -2.078 -2.078 438 HA GLU 61 HA GLU 61 109.265 -4.336 -4.336 439 1HB GLU 61 2HB GLU 61 106.804 -3.050 -3.050 440 2HB GLU 61 1HB GLU 61 106.816 -3.335 -3.335 441 1HG GLU 61 2HG GLU 61 106.572 -5.569 -5.569 442 2HG GLU 61 1HG GLU 61 107.830 -5.634 -5.634 443 H LEU 62 H LEU 62 108.642 -1.075 -1.075 444 HA LEU 62 HA LEU 62 109.395 -1.831 -1.831 445 1HB LEU 62 2HB LEU 62 107.564 -0.358 -0.358 446 2HB LEU 62 1HB LEU 62 108.335 0.563 0.563 447 HG LEU 62 HG LEU 62 110.130 1.083 1.083 448 1HD1 LEU 62 1HD1 LEU 62 108.328 -0.514 -0.514 449 2HD1 LEU 62 3HD1 LEU 62 108.207 1.134 1.134 450 3HD1 LEU 62 2HD1 LEU 62 109.770 0.322 0.322 451 1HD2 LEU 62 3HD2 LEU 62 107.523 2.266 2.266 452 2HD2 LEU 62 2HD2 LEU 62 109.103 3.034 3.034 453 3HD2 LEU 62 1HD2 LEU 62 108.152 2.748 2.748 454 H LEU 63 H LEU 63 110.555 0.230 0.230 455 HA LEU 63 HA LEU 63 112.907 1.209 1.209 456 1HB LEU 63 2HB LEU 63 111.720 1.059 1.059 457 2HB LEU 63 1HB LEU 63 113.481 1.164 1.164 458 HG LEU 63 HG LEU 63 111.946 2.993 2.993 459 1HD1 LEU 63 2HD1 LEU 63 111.556 2.888 2.888 460 2HD1 LEU 63 1HD1 LEU 63 112.404 4.376 4.376 461 3HD1 LEU 63 3HD1 LEU 63 110.853 4.006 4.006 462 1HD2 LEU 63 3HD2 LEU 63 114.524 3.096 3.096 463 2HD2 LEU 63 2HD2 LEU 63 114.340 3.058 3.058 464 3HD2 LEU 63 1HD2 LEU 63 113.869 4.497 4.497 465 H LEU 64 H LEU 64 112.574 -1.419 -1.419 466 HA LEU 64 HA LEU 64 115.245 -2.389 -2.389 467 1HB LEU 64 2HB LEU 64 112.889 -2.957 -2.957 468 2HB LEU 64 1HB LEU 64 113.183 -4.427 -4.427 469 HG LEU 64 HG LEU 64 115.549 -3.241 -3.241 470 1HD1 LEU 64 3HD1 LEU 64 113.108 -4.176 -4.176 471 2HD1 LEU 64 2HD1 LEU 64 114.673 -4.669 -4.669 472 3HD1 LEU 64 1HD1 LEU 64 114.289 -2.956 -2.956 473 1HD2 LEU 64 2HD2 LEU 64 114.505 -5.861 -5.861 474 2HD2 LEU 64 1HD2 LEU 64 116.167 -5.277 -5.277 475 3HD2 LEU 64 3HD2 LEU 64 115.398 -5.906 -5.906 476 H LEU 65 H LEU 65 112.294 -3.457 -3.457 477 HA LEU 65 HA LEU 65 113.362 -5.535 -5.535 478 1HB LEU 65 2HB LEU 65 111.033 -5.175 -5.175 479 2HB LEU 65 1HB LEU 65 111.217 -3.449 -3.449 480 HG LEU 65 HG LEU 65 112.331 -4.334 -4.334 481 1HD1 LEU 65 2HD1 LEU 65 111.841 -6.736 -6.736 482 2HD1 LEU 65 1HD1 LEU 65 110.206 -6.416 -6.416 483 3HD1 LEU 65 3HD1 LEU 65 111.555 -6.397 -6.397 484 1HD2 LEU 65 3HD2 LEU 65 109.870 -3.230 -3.230 485 2HD2 LEU 65 2HD2 LEU 65 110.513 -3.313 -3.313 486 3HD2 LEU 65 1HD2 LEU 65 109.443 -4.584 -4.584 487 H HIS 66 H HIS 66 113.744 -2.056 -2.056 488 HA HIS 66 HA HIS 66 115.027 -2.274 -2.274 489 1HB HIS 66 2HB HIS 66 113.725 -0.315 -0.315 490 2HB HIS 66 1HB HIS 66 115.153 0.312 0.312 491 HD1 HIS 66 HD1 HIS 66 115.055 0.658 0.658 492 HD2 HIS 66 HD2 HIS 66 111.639 -1.173 -1.173 493 HE1 HIS 66 HE1 HIS 66 113.343 0.639 0.639 494 H GLY 67 H GLY 67 115.844 -1.365 -1.365 495 1HA GLY 67 2HA GLY 67 118.249 -2.371 -2.371 496 2HA GLY 67 1HA GLY 67 118.672 -1.147 -1.147 497 H ALA 68 H ALA 68 116.360 -1.011 -1.011 498 HA ALA 68 HA ALA 68 117.161 1.662 1.662 499 1HB ALA 68 3HB ALA 68 115.145 -0.186 -0.186 500 2HB ALA 68 2HB ALA 68 115.982 0.031 0.031 501 3HB ALA 68 1HB ALA 68 115.306 1.425 1.425 502 H GLU 69 H GLU 69 117.373 1.115 1.115 503 HA GLU 69 HA GLU 69 120.189 0.084 0.084 504 1HB GLU 69 2HB GLU 69 120.498 1.683 1.683 505 2HB GLU 69 1HB GLU 69 119.955 2.490 2.490 506 1HG GLU 69 2HG GLU 69 117.851 2.935 2.935 507 2HG GLU 69 1HG GLU 69 117.871 1.525 1.525 508 HA PRO 70 HA PRO 70 117.384 -2.412 -2.412 509 1HB PRO 70 2HB PRO 70 117.761 -4.843 -4.843 510 2HB PRO 70 1HB PRO 70 116.432 -3.745 -3.745 511 1HG PRO 70 2HG PRO 70 119.036 -4.171 -4.171 512 2HG PRO 70 1HG PRO 70 117.416 -3.952 -3.952 513 1HD PRO 70 2HD PRO 70 119.229 -1.953 -1.953 514 2HD PRO 70 1HD PRO 70 117.480 -1.666 -1.666 515 H ASN 71 H ASN 71 120.577 -2.460 -2.460 516 HA ASN 71 HA ASN 71 121.547 -4.214 -4.214 517 1HB ASN 71 2HB ASN 71 122.296 -3.673 -3.673 518 2HB ASN 71 1HB ASN 71 123.647 -3.898 -3.898 519 1HD2 ASN 71 1HD2 ASN 71 120.402 -5.448 -5.448 520 2HD2 ASN 71 2HD2 ASN 71 120.991 -7.035 -7.035 521 H CYS 72 H CYS 72 123.236 -1.697 -1.697 522 HA CYS 72 HA CYS 72 124.886 -0.664 -0.664 523 1HB CYS 72 2HB CYS 72 123.668 0.216 0.216 524 2HB CYS 72 1HB CYS 72 123.977 1.577 1.577 525 HG CYS 72 HG CYS 72 126.508 0.649 0.649 526 H ALA 73 H ALA 73 124.717 0.860 0.860 527 HA ALA 73 HA ALA 73 121.951 1.800 1.800 528 1HB ALA 73 3HB ALA 73 122.994 -0.212 -0.212 529 2HB ALA 73 2HB ALA 73 124.069 0.980 0.980 530 3HB ALA 73 1HB ALA 73 122.325 1.098 1.098 531 H ASP 74 H ASP 74 123.266 3.013 3.013 532 HA ASP 74 HA ASP 74 124.451 5.405 5.405 533 1HB ASP 74 2HB ASP 74 122.710 4.939 4.939 534 2HB ASP 74 1HB ASP 74 123.660 6.418 6.418 535 HA PRO 75 HA PRO 75 128.154 4.288 4.288 536 1HB PRO 75 2HB PRO 75 129.529 6.632 6.632 537 2HB PRO 75 1HB PRO 75 129.357 5.399 5.399 538 1HG PRO 75 2HG PRO 75 127.849 7.940 7.940 539 2HG PRO 75 1HG PRO 75 128.447 7.196 7.196 540 1HD PRO 75 2HD PRO 75 125.854 7.051 7.051 541 2HD PRO 75 1HD PRO 75 126.650 5.777 5.777 542 H ALA 76 H ALA 76 126.100 7.021 7.021 543 HA ALA 76 HA ALA 76 127.338 8.126 8.126 544 1HB ALA 76 2HB ALA 76 124.710 8.027 8.027 545 2HB ALA 76 1HB ALA 76 124.585 8.172 8.172 546 3HB ALA 76 3HB ALA 76 125.490 9.372 9.372 547 H THR 77 H THR 77 124.452 6.043 6.043 548 HA THR 77 HA THR 77 125.828 4.584 4.584 549 HB THR 77 HB THR 77 123.641 4.514 4.514 550 HG1 THR 77 HG1 THR 77 122.836 5.396 5.396 551 1HG2 THR 77 1HG2 THR 77 125.249 6.651 6.651 552 2HG2 THR 77 3HG2 THR 77 123.802 7.371 7.371 553 3HG2 THR 77 2HG2 THR 77 123.738 6.662 6.662 554 H LEU 78 H LEU 78 125.763 3.815 3.815 555 HA LEU 78 HA LEU 78 125.221 1.974 1.974 556 1HB LEU 78 2HB LEU 78 125.493 1.070 1.070 557 2HB LEU 78 1HB LEU 78 124.800 -0.092 -0.092 558 HG LEU 78 HG LEU 78 127.481 1.303 1.303 559 1HD1 LEU 78 2HD1 LEU 78 127.232 -0.665 -0.665 560 2HD1 LEU 78 1HD1 LEU 78 126.798 -1.643 -1.643 561 3HD1 LEU 78 3HD1 LEU 78 128.398 -0.910 -0.910 562 1HD2 LEU 78 3HD2 LEU 78 125.731 0.164 0.164 563 2HD2 LEU 78 2HD2 LEU 78 127.268 1.004 1.004 564 3HD2 LEU 78 1HD2 LEU 78 127.247 -0.733 -0.733 565 H THR 79 H THR 79 122.935 3.680 3.680 566 HA THR 79 HA THR 79 120.670 2.099 2.099 567 HB THR 79 HB THR 79 120.191 4.340 4.340 568 HG1 THR 79 HG1 THR 79 121.599 5.659 5.659 569 1HG2 THR 79 1HG2 THR 79 119.044 3.162 3.162 570 2HG2 THR 79 3HG2 THR 79 119.511 4.797 4.797 571 3HG2 THR 79 2HG2 THR 79 118.437 4.543 4.543 572 H ARG 80 H ARG 80 120.369 0.193 0.193 573 HA ARG 80 HA ARG 80 120.570 0.213 0.213 574 1HB ARG 80 2HB ARG 80 120.575 -1.682 -1.682 575 2HB ARG 80 1HB ARG 80 119.408 -2.184 -2.184 576 1HG ARG 80 2HG ARG 80 121.476 -1.441 -1.441 577 2HG ARG 80 1HG ARG 80 122.361 -1.988 -1.988 578 1HD ARG 80 2HD ARG 80 121.695 -4.187 -4.187 579 2HD ARG 80 1HD ARG 80 120.136 -3.732 -3.732 580 HE ARG 80 HE ARG 80 121.239 -3.411 -3.411 581 1HH1 ARG 80 2HH1 ARG 80 123.734 -2.816 -2.816 582 2HH1 ARG 80 1HH1 ARG 80 124.910 -3.793 -3.793 583 1HH2 ARG 80 1HH2 ARG 80 122.608 -5.286 -5.286 584 2HH2 ARG 80 2HH2 ARG 80 124.273 -5.193 -5.193 585 HA PRO 81 HA PRO 81 116.276 0.652 0.652 586 1HB PRO 81 2HB PRO 81 115.793 -1.226 -1.226 587 2HB PRO 81 1HB PRO 81 116.751 0.234 0.234 588 1HG PRO 81 2HG PRO 81 117.647 -2.555 -2.555 589 2HG PRO 81 1HG PRO 81 118.337 -1.300 -1.300 590 1HD PRO 81 2HD PRO 81 119.327 -2.036 -2.036 591 2HD PRO 81 1HD PRO 81 119.652 -0.487 -0.487 592 H VAL 82 H VAL 82 117.444 -2.314 -2.314 593 HA VAL 82 HA VAL 82 114.979 -3.818 -3.818 594 HB VAL 82 HB VAL 82 117.430 -3.890 -3.890 595 1HG1 VAL 82 3HG1 VAL 82 115.011 -5.527 -5.527 596 2HG1 VAL 82 2HG1 VAL 82 116.498 -6.468 -6.468 597 3HG1 VAL 82 1HG1 VAL 82 116.189 -5.473 -5.473 598 1HG2 VAL 82 2HG2 VAL 82 117.655 -4.088 -4.088 599 2HG2 VAL 82 1HG2 VAL 82 118.541 -5.181 -5.181 600 3HG2 VAL 82 3HG2 VAL 82 117.048 -5.715 -5.715 601 H HIS 83 H HIS 83 116.461 -1.329 -1.329 602 HA HIS 83 HA HIS 83 114.741 -1.732 -1.732 603 1HB HIS 83 2HB HIS 83 116.359 0.649 0.649 604 2HB HIS 83 1HB HIS 83 115.683 0.479 0.479 605 HD2 HIS 83 HD2 HIS 83 117.535 -0.656 -0.656 606 HE1 HIS 83 HE1 HIS 83 119.692 -2.896 -2.896 607 HE2 HIS 83 HE2 HIS 83 119.507 -2.278 -2.278 608 H ASP 84 H ASP 84 114.810 0.556 0.556 609 HA ASP 84 HA ASP 84 112.620 2.193 2.193 610 1HB ASP 84 2HB ASP 84 113.804 0.930 0.930 611 2HB ASP 84 1HB ASP 84 112.434 2.028 2.028 612 H ALA 85 H ALA 85 112.523 -1.031 -1.031 613 HA ALA 85 HA ALA 85 109.709 -1.123 -1.123 614 1HB ALA 85 3HB ALA 85 111.734 -2.634 -2.634 615 2HB ALA 85 2HB ALA 85 111.364 -3.527 -3.527 616 3HB ALA 85 1HB ALA 85 110.147 -3.374 -3.374 617 H ALA 86 H ALA 86 111.548 -2.731 -2.731 618 HA ALA 86 HA ALA 86 109.288 -3.436 -3.436 619 1HB ALA 86 3HB ALA 86 112.087 -3.685 -3.685 620 2HB ALA 86 2HB ALA 86 111.688 -2.834 -2.834 621 3HB ALA 86 1HB ALA 86 110.955 -4.399 -4.399 622 H ARG 87 H ARG 87 111.533 -0.665 -0.665 623 HA ARG 87 HA ARG 87 110.541 0.662 0.662 624 1HB ARG 87 2HB ARG 87 112.338 1.686 1.686 625 2HB ARG 87 1HB ARG 87 111.662 1.471 1.471 626 1HG ARG 87 2HG ARG 87 111.688 3.859 3.859 627 2HG ARG 87 1HG ARG 87 110.056 3.272 3.272 628 1HD ARG 87 2HD ARG 87 109.469 3.888 3.888 629 2HD ARG 87 1HD ARG 87 110.650 2.734 2.734 630 HE ARG 87 HE ARG 87 112.277 4.499 4.499 631 1HH1 ARG 87 2HH1 ARG 87 109.785 5.977 5.977 632 2HH1 ARG 87 1HH1 ARG 87 109.891 7.437 7.437 633 1HH2 ARG 87 1HH2 ARG 87 112.201 6.158 6.158 634 2HH2 ARG 87 2HH2 ARG 87 111.258 7.540 7.540 635 H GLU 88 H GLU 88 108.938 0.412 0.412 636 HA GLU 88 HA GLU 88 106.758 2.217 2.217 637 1HB GLU 88 2HB GLU 88 108.114 2.048 2.048 638 2HB GLU 88 1HB GLU 88 106.729 1.018 1.018 639 1HG GLU 88 2HG GLU 88 106.242 3.656 3.656 640 2HG GLU 88 1HG GLU 88 106.598 3.637 3.637 641 H GLY 89 H GLY 89 107.503 -1.131 -1.131 642 1HA GLY 89 2HA GLY 89 106.172 -2.964 -2.964 643 2HA GLY 89 1HA GLY 89 104.791 -1.873 -1.873 644 H PHE 90 H PHE 90 106.718 -1.812 -1.812 645 HA PHE 90 HA PHE 90 104.390 -2.833 -2.833 646 1HB PHE 90 2HB PHE 90 106.138 -0.705 -0.705 647 2HB PHE 90 1HB PHE 90 106.767 -1.857 -1.857 648 HD1 PHE 90 HD1 PHE 90 105.066 -2.955 -2.955 649 HD2 PHE 90 HD2 PHE 90 104.251 0.594 0.594 650 HE1 PHE 90 HE1 PHE 90 103.224 -2.383 -2.383 651 HE2 PHE 90 HE2 PHE 90 102.411 1.169 1.169 652 HZ PHE 90 HZ PHE 90 101.904 -0.317 -0.317 653 H LEU 91 H LEU 91 104.780 -5.141 -5.141 654 HA LEU 91 HA LEU 91 107.212 -6.540 -6.540 655 1HB LEU 91 2HB LEU 91 104.416 -7.078 -7.078 656 2HB LEU 91 1HB LEU 91 105.036 -8.211 -8.211 657 HG LEU 91 HG LEU 91 106.678 -7.631 -7.631 658 1HD1 LEU 91 3HD1 LEU 91 104.102 -9.125 -9.125 659 2HD1 LEU 91 2HD1 LEU 91 105.406 -9.841 -9.841 660 3HD1 LEU 91 1HD1 LEU 91 104.813 -8.228 -8.228 661 1HD2 LEU 91 3HD2 LEU 91 107.454 -9.021 -9.021 662 2HD2 LEU 91 2HD2 LEU 91 107.552 -9.822 -9.822 663 3HD2 LEU 91 1HD2 LEU 91 106.231 -10.205 -10.205 664 H ASP 92 H ASP 92 104.545 -5.676 -5.676 665 HA ASP 92 HA ASP 92 105.209 -7.146 -7.146 666 1HB ASP 92 2HB ASP 92 104.075 -4.404 -4.404 667 2HB ASP 92 1HB ASP 92 104.305 -4.970 -4.970 668 H THR 93 H THR 93 106.681 -4.160 -4.160 669 HA THR 93 HA THR 93 108.380 -3.602 -3.602 670 HB THR 93 HB THR 93 108.647 -3.077 -3.077 671 HG1 THR 93 HG1 THR 93 106.880 -2.208 -2.208 672 1HG2 THR 93 1HG2 THR 93 110.099 -1.824 -1.824 673 2HG2 THR 93 3HG2 THR 93 110.201 -1.270 -1.270 674 3HG2 THR 93 2HG2 THR 93 110.818 -2.862 -2.862 675 H LEU 94 H LEU 94 108.972 -5.427 -5.427 676 HA LEU 94 HA LEU 94 111.654 -6.220 -6.220 677 1HB LEU 94 2HB LEU 94 109.392 -7.407 -7.407 678 2HB LEU 94 1HB LEU 94 111.019 -8.083 -8.083 679 HG LEU 94 HG LEU 94 111.423 -5.341 -5.341 680 1HD1 LEU 94 2HD1 LEU 94 109.080 -6.311 -6.311 681 2HD1 LEU 94 1HD1 LEU 94 109.958 -4.804 -4.804 682 3HD1 LEU 94 3HD1 LEU 94 109.031 -5.036 -5.036 683 1HD2 LEU 94 3HD2 LEU 94 111.972 -7.794 -7.794 684 2HD2 LEU 94 2HD2 LEU 94 112.711 -6.225 -6.225 685 3HD2 LEU 94 1HD2 LEU 94 111.283 -6.726 -6.726 686 H VAL 95 H VAL 95 108.528 -7.812 -7.812 687 HA VAL 95 HA VAL 95 109.401 -10.241 -10.241 688 HB VAL 95 HB VAL 95 107.184 -8.351 -8.351 689 1HG1 VAL 95 1HG1 VAL 95 108.043 -10.662 -10.662 690 2HG1 VAL 95 3HG1 VAL 95 106.701 -11.220 -11.220 691 3HG1 VAL 95 2HG1 VAL 95 106.454 -9.914 -9.914 692 1HG2 VAL 95 1HG2 VAL 95 107.562 -9.542 -9.542 693 2HG2 VAL 95 3HG2 VAL 95 105.990 -9.089 -9.089 694 3HG2 VAL 95 2HG2 VAL 95 106.575 -10.745 -10.745 695 H VAL 96 H VAL 96 108.991 -7.088 -7.088 696 HA VAL 96 HA VAL 96 109.892 -7.865 -7.865 697 HB VAL 96 HB VAL 96 109.922 -5.292 -5.292 698 1HG1 VAL 96 1HG1 VAL 96 111.172 -5.888 -5.888 699 2HG1 VAL 96 3HG1 VAL 96 109.992 -4.582 -4.582 700 3HG1 VAL 96 2HG1 VAL 96 111.333 -4.466 -4.466 701 1HG2 VAL 96 3HG2 VAL 96 108.156 -6.376 -6.376 702 2HG2 VAL 96 2HG2 VAL 96 107.708 -6.154 -6.154 703 3HG2 VAL 96 1HG2 VAL 96 108.023 -4.751 -4.751 704 H LEU 97 H LEU 97 111.646 -6.445 -6.445 705 HA LEU 97 HA LEU 97 114.249 -6.322 -6.322 706 1HB LEU 97 2HB LEU 97 112.905 -6.435 -6.435 707 2HB LEU 97 1HB LEU 97 114.578 -6.987 -6.987 708 HG LEU 97 HG LEU 97 115.028 -4.827 -4.827 709 1HD1 LEU 97 2HD1 LEU 97 112.336 -4.309 -4.309 710 2HD1 LEU 97 1HD1 LEU 97 113.432 -2.997 -2.997 711 3HD1 LEU 97 3HD1 LEU 97 112.814 -4.075 -4.075 712 1HD2 LEU 97 2HD2 LEU 97 114.652 -5.218 -5.218 713 2HD2 LEU 97 1HD2 LEU 97 116.097 -4.742 -4.742 714 3HD2 LEU 97 3HD2 LEU 97 114.841 -3.553 -3.553 715 H HIS 98 H HIS 98 112.583 -9.061 -9.061 716 HA HIS 98 HA HIS 98 114.912 -10.831 -10.831 717 1HB HIS 98 2HB HIS 98 112.915 -10.684 -10.684 718 2HB HIS 98 1HB HIS 98 112.111 -11.737 -11.737 719 HD1 HIS 98 HD1 HIS 98 113.796 -12.154 -12.154 720 HD2 HIS 98 HD2 HIS 98 114.426 -13.822 -13.822 721 HE1 HIS 98 HE1 HIS 98 115.160 -14.256 -14.256 722 H ARG 99 H ARG 99 111.862 -10.243 -10.243 723 HA ARG 99 HA ARG 99 111.873 -12.562 -12.562 724 1HB ARG 99 2HB ARG 99 109.863 -11.313 -11.313 725 2HB ARG 99 1HB ARG 99 110.658 -9.799 -9.799 726 1HG ARG 99 2HG ARG 99 110.959 -10.625 -10.625 727 2HG ARG 99 1HG ARG 99 110.136 -12.123 -12.123 728 1HD ARG 99 2HD ARG 99 108.058 -11.024 -11.024 729 2HD ARG 99 1HD ARG 99 108.825 -9.426 -9.426 730 HE ARG 99 HE ARG 99 109.537 -9.949 -9.949 731 1HH1 ARG 99 1HH2 ARG 99 106.568 -9.179 -9.179 732 2HH1 ARG 99 2HH2 ARG 99 105.721 -10.191 -10.191 733 1HH2 ARG 99 2HH1 ARG 99 108.511 -12.100 -12.100 734 2HH2 ARG 99 1HH1 ARG 99 106.824 -11.848 -11.848 735 H ALA 100 H ALA 100 113.892 -9.824 -9.824 736 HA ALA 100 HA ALA 100 114.692 -10.355 -10.355 737 1HB ALA 100 1HB ALA 100 114.218 -7.948 -7.948 738 2HB ALA 100 3HB ALA 100 115.580 -7.861 -7.861 739 3HB ALA 100 2HB ALA 100 113.958 -8.192 -8.192 740 H GLY 101 H GLY 101 116.391 -8.458 -8.458 741 1HA GLY 101 2HA GLY 101 118.300 -10.478 -10.478 742 2HA GLY 101 1HA GLY 101 118.933 -9.475 -9.475 743 H ALA 102 H ALA 102 117.057 -8.817 -8.817 744 HA ALA 102 HA ALA 102 118.884 -6.503 -6.503 745 1HB ALA 102 1HB ALA 102 116.299 -6.393 -6.393 746 2HB ALA 102 3HB ALA 102 116.263 -7.112 -7.112 747 3HB ALA 102 2HB ALA 102 117.031 -5.544 -5.544 748 H ARG 103 H ARG 103 120.408 -6.814 -6.814 749 HA ARG 103 HA ARG 103 120.686 -9.130 -9.130 750 1HB ARG 103 2HB ARG 103 122.354 -7.279 -7.279 751 2HB ARG 103 1HB ARG 103 121.530 -6.304 -6.304 752 1HG ARG 103 2HG ARG 103 122.312 -7.577 -7.577 753 2HG ARG 103 1HG ARG 103 122.350 -9.061 -9.061 754 1HD ARG 103 2HD ARG 103 124.436 -8.548 -8.548 755 2HD ARG 103 1HD ARG 103 124.260 -6.811 -6.811 756 HE ARG 103 HE ARG 103 124.465 -7.391 -7.391 757 1HH1 ARG 103 2HH1 ARG 103 124.482 -10.368 -10.368 758 2HH1 ARG 103 1HH1 ARG 103 126.065 -10.840 -10.840 759 1HH2 ARG 103 1HH2 ARG 103 126.976 -7.644 -7.644 760 2HH2 ARG 103 2HH2 ARG 103 127.478 -9.297 -9.297 761 H LEU 104 H LEU 104 120.383 -9.299 -9.299 762 HA LEU 104 HA LEU 104 118.319 -7.513 -7.513 763 1HB LEU 104 2HB LEU 104 117.889 -10.147 -10.147 764 2HB LEU 104 1HB LEU 104 117.484 -10.149 -10.149 765 HG LEU 104 HG LEU 104 116.504 -7.751 -7.751 766 1HD1 LEU 104 3HD1 LEU 104 116.402 -9.910 -9.910 767 2HD1 LEU 104 2HD1 LEU 104 114.891 -10.111 -10.111 768 3HD1 LEU 104 1HD1 LEU 104 115.199 -8.619 -8.619 769 1HD2 LEU 104 2HD2 LEU 104 115.921 -8.980 -8.980 770 2HD2 LEU 104 1HD2 LEU 104 114.678 -8.099 -8.099 771 3HD2 LEU 104 3HD2 LEU 104 114.781 -9.855 -9.855 772 H ASP 105 H ASP 105 121.164 -8.021 -8.021 773 HA ASP 105 HA ASP 105 120.756 -8.849 -8.849 774 1HB ASP 105 2HB ASP 105 121.545 -10.680 -10.680 775 2HB ASP 105 1HB ASP 105 123.103 -10.089 -10.089 776 H VAL 106 H VAL 106 121.399 -6.257 -6.257 777 HA VAL 106 HA VAL 106 124.295 -5.917 -5.917 778 HB VAL 106 HB VAL 106 123.049 -4.956 -4.956 779 1HG1 VAL 106 2HG1 VAL 106 121.324 -4.007 -4.007 780 2HG1 VAL 106 1HG1 VAL 106 122.255 -2.581 -2.581 781 3HG1 VAL 106 3HG1 VAL 106 121.365 -3.488 -3.488 782 1HG2 VAL 106 2HG2 VAL 106 125.217 -4.048 -4.048 783 2HG2 VAL 106 1HG2 VAL 106 124.712 -3.428 -3.428 784 3HG2 VAL 106 3HG2 VAL 106 124.202 -2.609 -2.609 785 H ARG 107 H ARG 107 124.526 -3.573 -3.573 786 HA ARG 107 HA ARG 107 122.651 -3.586 -3.586 787 1HB ARG 107 2HB ARG 107 125.647 -3.113 -3.113 788 2HB ARG 107 1HB ARG 107 124.558 -3.341 -3.341 789 1HG ARG 107 2HG ARG 107 124.877 -5.560 -5.560 790 2HG ARG 107 1HG ARG 107 124.272 -5.592 -5.592 791 1HD ARG 107 2HD ARG 107 126.532 -6.482 -6.482 792 2HD ARG 107 1HD ARG 107 126.602 -4.856 -4.856 793 HE ARG 107 HE ARG 107 128.074 -4.379 -4.379 794 1HH1 ARG 107 2HH1 ARG 107 127.009 -7.333 -7.333 795 2HH1 ARG 107 1HH1 ARG 107 126.864 -6.999 -6.999 796 1HH2 ARG 107 1HH2 ARG 107 127.255 -3.575 -3.575 797 2HH2 ARG 107 2HH2 ARG 107 127.004 -4.873 -4.873 798 H ASP 108 H ASP 108 122.196 -1.501 -1.501 799 HA ASP 108 HA ASP 108 122.556 0.738 0.738 800 1HB ASP 108 2HB ASP 108 121.306 1.935 1.935 801 2HB ASP 108 1HB ASP 108 120.552 0.386 0.386 802 H ALA 109 H ALA 109 125.107 -0.120 -0.120 803 HA ALA 109 HA ALA 109 127.202 0.677 0.677 804 1HB ALA 109 3HB ALA 109 125.349 2.956 2.956 805 2HB ALA 109 2HB ALA 109 126.735 3.212 3.212 806 3HB ALA 109 1HB ALA 109 126.982 2.817 2.817 807 H TRP 110 H TRP 110 124.845 2.051 2.051 808 HA TRP 110 HA TRP 110 126.401 1.941 1.941 809 1HB TRP 110 2HB TRP 110 123.459 1.281 1.281 810 2HB TRP 110 1HB TRP 110 124.227 1.821 1.821 811 HD1 TRP 110 HD1 TRP 110 121.975 3.578 3.578 812 HE1 TRP 110 HE1 TRP 110 122.346 5.963 5.963 813 HE3 TRP 110 HE3 TRP 110 126.886 3.255 3.255 814 HZ2 TRP 110 HZ2 TRP 110 124.425 7.520 7.520 815 HZ3 TRP 110 HZ3 TRP 110 128.018 5.206 5.206 816 HH2 TRP 110 HH2 TRP 110 126.801 7.338 7.338 817 H GLY 111 H GLY 111 124.164 -0.656 -0.656 818 1HA GLY 111 2HA GLY 111 125.663 -2.893 -2.893 819 2HA GLY 111 1HA GLY 111 125.374 -2.521 -2.521 820 H ARG 112 H ARG 112 122.680 -1.366 -1.366 821 HA ARG 112 HA ARG 112 121.064 -3.654 -3.654 822 1HB ARG 112 2HB ARG 112 120.730 -1.043 -1.043 823 2HB ARG 112 1HB ARG 112 120.034 -1.216 -1.216 824 1HG ARG 112 2HG ARG 112 118.130 -2.067 -2.067 825 2HG ARG 112 1HG ARG 112 119.030 -3.294 -3.294 826 1HD ARG 112 2HD ARG 112 117.673 -1.734 -1.734 827 2HD ARG 112 1HD ARG 112 119.404 -1.752 -1.752 828 HE ARG 112 HE ARG 112 118.788 0.238 0.238 829 1HH1 ARG 112 2HH1 ARG 112 117.677 -0.213 -0.213 830 2HH1 ARG 112 1HH1 ARG 112 118.234 1.315 1.315 831 1HH2 ARG 112 1HH2 ARG 112 119.973 2.101 2.101 832 2HH2 ARG 112 2HH2 ARG 112 119.536 2.629 2.629 833 H LEU 113 H LEU 113 119.016 -3.896 -3.896 834 HA LEU 113 HA LEU 113 120.118 -4.330 -4.330 835 1HB LEU 113 2HB LEU 113 119.567 -6.268 -6.268 836 2HB LEU 113 1HB LEU 113 118.373 -6.479 -6.479 837 HG LEU 113 HG LEU 113 120.399 -6.314 -6.314 838 1HD1 LEU 113 1HD1 LEU 113 121.729 -5.886 -5.886 839 2HD1 LEU 113 3HD1 LEU 113 122.111 -7.559 -7.559 840 3HD1 LEU 113 2HD1 LEU 113 122.483 -6.270 -6.270 841 1HD2 LEU 113 3HD2 LEU 113 119.046 -8.366 -8.366 842 2HD2 LEU 113 2HD2 LEU 113 120.739 -8.723 -8.723 843 3HD2 LEU 113 1HD2 LEU 113 120.151 -8.736 -8.736 844 HA PRO 114 HA PRO 114 116.116 -3.036 -3.036 845 1HB PRO 114 2HB PRO 114 115.398 -4.832 -4.832 846 2HB PRO 114 1HB PRO 114 116.672 -3.618 -3.618 847 1HG PRO 114 2HG PRO 114 116.910 -6.514 -6.514 848 2HG PRO 114 1HG PRO 114 117.914 -5.491 -5.491 849 1HD PRO 114 2HD PRO 114 118.614 -6.266 -6.266 850 2HD PRO 114 1HD PRO 114 119.228 -4.801 -4.801 851 H VAL 115 H VAL 115 116.138 -6.608 -6.608 852 HA VAL 115 HA VAL 115 113.380 -7.016 -7.016 853 HB VAL 115 HB VAL 115 115.287 -8.697 -8.697 854 1HG1 VAL 115 2HG1 VAL 115 116.752 -7.713 -7.713 855 2HG1 VAL 115 1HG1 VAL 115 115.591 -8.248 -8.248 856 3HG1 VAL 115 3HG1 VAL 115 116.461 -9.435 -9.435 857 1HG2 VAL 115 3HG2 VAL 115 113.171 -8.963 -8.963 858 2HG2 VAL 115 2HG2 VAL 115 113.178 -9.634 -9.634 859 3HG2 VAL 115 1HG2 VAL 115 114.238 -10.310 -10.310 860 H ASP 116 H ASP 116 115.953 -5.854 -5.854 861 HA ASP 116 HA ASP 116 114.420 -5.957 -5.957 862 1HB ASP 116 2HB ASP 116 116.796 -5.940 -5.940 863 2HB ASP 116 1HB ASP 116 116.934 -4.602 -4.602 864 H LEU 117 H LEU 117 115.025 -3.499 -3.499 865 HA LEU 117 HA LEU 117 113.716 -1.317 -1.317 866 1HB LEU 117 2HB LEU 117 114.994 -1.927 -1.927 867 2HB LEU 117 1HB LEU 117 113.589 -0.883 -0.883 868 HG LEU 117 HG LEU 117 115.470 -0.230 -0.230 869 1HD1 LEU 117 1HD1 LEU 117 116.017 0.357 0.357 870 2HD1 LEU 117 3HD1 LEU 117 116.893 1.063 1.063 871 3HD1 LEU 117 2HD1 LEU 117 116.992 -0.671 -0.671 872 1HD2 LEU 117 3HD2 LEU 117 113.249 0.961 0.961 873 2HD2 LEU 117 2HD2 LEU 117 114.247 1.661 1.661 874 3HD2 LEU 117 1HD2 LEU 117 114.656 1.941 1.941 875 H ALA 118 H ALA 118 112.604 -3.891 -3.891 876 HA ALA 118 HA ALA 118 110.012 -2.764 -2.764 877 1HB ALA 118 2HB ALA 118 111.506 -4.814 -4.814 878 2HB ALA 118 1HB ALA 118 110.432 -5.711 -5.711 879 3HB ALA 118 3HB ALA 118 109.759 -4.742 -4.742 880 H GLU 119 H GLU 119 111.016 -5.328 -5.328 881 HA GLU 119 HA GLU 119 108.460 -5.579 -5.579 882 1HB GLU 119 2HB GLU 119 110.968 -6.801 -6.801 883 2HB GLU 119 1HB GLU 119 110.812 -6.149 -6.149 884 1HG GLU 119 2HG GLU 119 108.375 -7.462 -7.462 885 2HG GLU 119 1HG GLU 119 109.749 -8.542 -8.542 886 H GLU 120 H GLU 120 110.917 -3.159 -3.159 887 HA GLU 120 HA GLU 120 110.328 -2.296 -2.296 888 1HB GLU 120 2HB GLU 120 112.241 -1.829 -1.829 889 2HB GLU 120 1HB GLU 120 111.548 -0.270 -0.270 890 1HG GLU 120 2HG GLU 120 112.167 -1.998 -1.998 891 2HG GLU 120 1HG GLU 120 113.582 -1.519 -1.519 892 H LEU 121 H LEU 121 109.397 -1.277 -1.277 893 HA LEU 121 HA LEU 121 107.747 0.919 0.919 894 1HB LEU 121 2HB LEU 121 108.707 -0.061 -0.061 895 2HB LEU 121 1HB LEU 121 107.355 1.069 1.069 896 HG LEU 121 HG LEU 121 109.753 1.700 1.700 897 1HD1 LEU 121 1HD1 LEU 121 109.711 1.506 1.506 898 2HD1 LEU 121 3HD1 LEU 121 110.446 2.954 2.954 899 3HD1 LEU 121 2HD1 LEU 121 111.067 1.360 1.360 900 1HD2 LEU 121 1HD2 LEU 121 107.366 2.982 2.982 901 2HD2 LEU 121 3HD2 LEU 121 108.657 3.668 3.668 902 3HD2 LEU 121 2HD2 LEU 121 108.710 3.825 3.825 903 H GLY 122 H GLY 122 107.285 -2.350 -2.350 904 1HA GLY 122 2HA GLY 122 105.176 -3.412 -3.412 905 2HA GLY 122 1HA GLY 122 104.359 -1.973 -1.973 906 H HIS 123 H HIS 123 106.989 -3.389 -3.389 907 HA HIS 123 HA HIS 123 105.033 -4.013 -4.013 908 1HB HIS 123 2HB HIS 123 108.067 -3.896 -3.896 909 2HB HIS 123 1HB HIS 123 107.094 -4.075 -4.075 910 HD1 HIS 123 HD1 HIS 123 104.986 -2.048 -2.048 911 HD2 HIS 123 HD2 HIS 123 108.791 -1.242 -1.242 912 HE1 HIS 123 HE1 HIS 123 105.207 0.475 0.475 913 H ARG 124 H ARG 124 104.888 -5.775 -5.775 914 HA ARG 124 HA ARG 124 106.462 -8.036 -8.036 915 1HB ARG 124 2HB ARG 124 104.316 -9.190 -9.190 916 2HB ARG 124 1HB ARG 124 104.404 -7.588 -7.588 917 1HG ARG 124 2HG ARG 124 103.165 -6.712 -6.712 918 2HG ARG 124 1HG ARG 124 102.882 -8.393 -8.393 919 1HD ARG 124 2HD ARG 124 102.206 -7.614 -7.614 920 2HD ARG 124 1HD ARG 124 101.127 -7.047 -7.047 921 HE ARG 124 HE ARG 124 101.390 -9.612 -9.612 922 1HH1 ARG 124 1HH2 ARG 124 102.202 -9.278 -9.278 923 2HH1 ARG 124 2HH2 ARG 124 100.882 -10.191 -10.191 924 1HH2 ARG 124 2HH1 ARG 124 99.162 -10.339 -10.339 925 2HH2 ARG 124 1HH1 ARG 124 99.157 -10.789 -10.789 926 H ASP 125 H ASP 125 104.145 -7.319 -7.319 927 HA ASP 125 HA ASP 125 104.307 -9.857 -9.857 928 1HB ASP 125 2HB ASP 125 103.307 -8.586 -8.586 929 2HB ASP 125 1HB ASP 125 102.579 -8.090 -8.090 930 H VAL 126 H VAL 126 106.186 -6.844 -6.844 931 HA VAL 126 HA VAL 126 107.891 -7.982 -7.982 932 HB VAL 126 HB VAL 126 108.415 -5.460 -5.460 933 1HG1 VAL 126 3HG1 VAL 126 109.212 -6.668 -6.668 934 2HG1 VAL 126 2HG1 VAL 126 108.849 -4.943 -4.943 935 3HG1 VAL 126 1HG1 VAL 126 110.092 -5.546 -5.546 936 1HG2 VAL 126 3HG2 VAL 126 106.218 -6.040 -6.040 937 2HG2 VAL 126 2HG2 VAL 126 106.173 -5.042 -5.042 938 3HG2 VAL 126 1HG2 VAL 126 106.973 -4.446 -4.446 939 H ALA 127 H ALA 127 108.138 -7.186 -7.186 940 HA ALA 127 HA ALA 127 110.876 -7.784 -7.784 941 1HB ALA 127 1HB ALA 127 108.328 -7.728 -7.728 942 2HB ALA 127 3HB ALA 127 109.702 -8.527 -8.527 943 3HB ALA 127 2HB ALA 127 109.823 -6.839 -6.839 944 H ARG 128 H ARG 128 108.043 -9.928 -9.928 945 HA ARG 128 HA ARG 128 109.376 -12.317 -12.317 946 1HB ARG 128 2HB ARG 128 106.840 -11.621 -11.621 947 2HB ARG 128 1HB ARG 128 107.281 -13.306 -13.306 948 1HG ARG 128 2HG ARG 128 107.635 -12.513 -12.513 949 2HG ARG 128 1HG ARG 128 106.595 -11.172 -11.172 950 1HD ARG 128 2HD ARG 128 105.142 -13.214 -13.214 951 2HD ARG 128 1HD ARG 128 105.916 -14.049 -14.049 952 HE ARG 128 HE ARG 128 104.090 -11.727 -11.727 953 1HH1 ARG 128 1HH2 ARG 128 104.612 -14.556 -14.556 954 2HH1 ARG 128 2HH2 ARG 128 104.858 -13.948 -13.948 955 1HH2 ARG 128 2HH1 ARG 128 105.170 -10.646 -10.646 956 2HH2 ARG 128 1HH1 ARG 128 105.173 -11.734 -11.734 957 H TYR 129 H TYR 129 108.230 -11.432 -11.432 958 HA TYR 129 HA TYR 129 109.607 -13.522 -13.522 959 1HB TYR 129 2HB TYR 129 107.791 -12.086 -12.086 960 2HB TYR 129 1HB TYR 129 108.916 -10.727 -10.727 961 HD1 TYR 129 HD2 TYR 129 108.473 -14.236 -14.236 962 HD2 TYR 129 HD1 TYR 129 110.340 -10.416 -10.416 963 HE1 TYR 129 HE2 TYR 129 109.337 -15.015 -15.015 964 HE2 TYR 129 HE1 TYR 129 111.202 -11.198 -11.198 965 HH TYR 129 HH TYR 129 110.091 -14.044 -14.044 966 H LEU 130 H LEU 130 110.619 -10.207 -10.207 967 HA LEU 130 HA LEU 130 113.108 -10.174 -10.174 968 1HB LEU 130 2HB LEU 130 111.874 -8.796 -8.796 969 2HB LEU 130 1HB LEU 130 113.609 -8.603 -8.603 970 HG LEU 130 HG LEU 130 111.509 -8.068 -8.068 971 1HD1 LEU 130 1HD1 LEU 130 113.109 -6.200 -6.200 972 2HD1 LEU 130 3HD1 LEU 130 112.170 -5.678 -5.678 973 3HD1 LEU 130 2HD1 LEU 130 111.357 -6.402 -6.402 974 1HD2 LEU 130 1HD2 LEU 130 114.408 -8.378 -8.378 975 2HD2 LEU 130 3HD2 LEU 130 113.286 -8.217 -8.217 976 3HD2 LEU 130 2HD2 LEU 130 113.929 -6.776 -6.776 977 H ARG 131 H ARG 131 112.158 -11.623 -11.623 978 HA ARG 131 HA ARG 131 114.815 -12.130 -12.130 979 1HB ARG 131 2HB ARG 131 112.118 -12.490 -12.490 980 2HB ARG 131 1HB ARG 131 112.830 -14.103 -14.103 981 1HG ARG 131 2HG ARG 131 113.799 -13.627 -13.627 982 2HG ARG 131 1HG ARG 131 114.762 -12.394 -12.394 983 1HD ARG 131 2HD ARG 131 113.650 -11.151 -11.151 984 2HD ARG 131 1HD ARG 131 112.588 -10.924 -10.924 985 HE ARG 131 HE ARG 131 111.535 -13.185 -13.185 986 1HH1 ARG 131 1HH2 ARG 131 111.428 -9.965 -9.965 987 2HH1 ARG 131 2HH2 ARG 131 110.839 -10.197 -10.197 988 1HH2 ARG 131 2HH1 ARG 131 111.287 -13.633 -13.633 989 2HH2 ARG 131 1HH1 ARG 131 110.763 -12.269 -12.269 990 H ALA 132 H ALA 132 112.599 -13.943 -13.943 991 HA ALA 132 HA ALA 132 114.317 -16.306 -16.306 992 1HB ALA 132 1HB ALA 132 111.731 -15.315 -15.315 993 2HB ALA 132 3HB ALA 132 112.561 -16.532 -16.532 994 3HB ALA 132 2HB ALA 132 112.122 -16.884 -16.884 995 H ALA 133 H ALA 133 113.685 -13.445 -13.445 996 HA ALA 133 HA ALA 133 115.407 -14.393 -14.393 997 1HB ALA 133 1HB ALA 133 113.251 -12.880 -12.880 998 2HB ALA 133 3HB ALA 133 114.392 -11.584 -11.584 999 3HB ALA 133 2HB ALA 133 114.555 -12.515 -12.515 1000 H ALA 134 H ALA 134 115.611 -12.187 -12.187 1001 HA ALA 134 HA ALA 134 118.367 -11.380 -11.380 1002 1HB ALA 134 2HB ALA 134 116.276 -9.907 -9.907 1003 2HB ALA 134 1HB ALA 134 116.975 -10.296 -10.296 1004 3HB ALA 134 3HB ALA 134 117.941 -9.451 -9.451 1005 H GLY 135 H GLY 135 117.345 -14.019 -14.019 1006 1HA GLY 135 2HA GLY 135 118.795 -13.913 -13.913 1007 2HA GLY 135 1HA GLY 135 117.877 -15.289 -15.289 1008 H GLY 136 H GLY 136 120.896 -14.557 -14.557 1009 1HA GLY 136 2HA GLY 136 122.017 -16.512 -16.512 1010 2HA GLY 136 1HA GLY 136 122.754 -14.911 -14.911 1011 H THR 137 H THR 137 121.500 -16.132 -16.132 1012 HA THR 137 HA THR 137 123.959 -15.800 -15.800 1013 HB THR 137 HB THR 137 122.574 -17.503 -17.503 1014 HG1 THR 137 HG1 THR 137 120.623 -17.839 -17.839 1015 1HG2 THR 137 2HG2 THR 137 123.050 -15.044 -15.044 1016 2HG2 THR 137 1HG2 THR 137 121.581 -14.706 -14.706 1017 3HG2 THR 137 3HG2 THR 137 121.483 -15.576 -15.576 1018 H ARG 138 H ARG 138 125.773 -17.028 -17.028 1019 HA ARG 138 HA ARG 138 125.736 -19.654 -19.654 1020 1HB ARG 138 2HB ARG 138 127.595 -17.580 -17.580 1021 2HB ARG 138 1HB ARG 138 128.203 -19.144 -19.144 1022 1HG ARG 138 2HG ARG 138 128.697 -19.771 -19.771 1023 2HG ARG 138 1HG ARG 138 127.106 -19.291 -19.291 1024 1HD ARG 138 2HD ARG 138 128.285 -16.842 -16.842 1025 2HD ARG 138 1HD ARG 138 129.654 -17.817 -17.817 1026 HE ARG 138 HE ARG 138 128.625 -17.829 -17.829 1027 1HH1 ARG 138 2HH1 ARG 138 126.832 -15.542 -15.542 1028 2HH1 ARG 138 1HH1 ARG 138 125.264 -16.173 -16.173 1029 1HH2 ARG 138 1HH2 ARG 138 126.363 -19.449 -19.449 1030 2HH2 ARG 138 2HH2 ARG 138 124.999 -18.388 -18.388 1031 H GLY 139 H GLY 139 124.159 -20.569 -20.569 1032 1HA GLY 139 2HA GLY 139 123.777 -21.981 -21.981 1033 2HA GLY 139 1HA GLY 139 125.511 -22.315 -22.315 1034 H SER 140 H SER 140 125.833 -22.218 -22.218 1035 HA SER 140 HA SER 140 125.802 -19.474 -19.474 1036 1HB SER 140 2HB SER 140 124.526 -20.199 -20.199 1037 2HB SER 140 1HB SER 140 123.635 -20.690 -20.690 1038 HG SER 140 HG SER 140 124.296 -22.759 -22.759 1039 H ASN 141 H ASN 141 128.106 -19.546 -19.546 1040 HA ASN 141 HA ASN 141 129.731 -21.704 -21.704 1041 1HB ASN 141 2HB ASN 141 130.673 -19.794 -19.794 1042 2HB ASN 141 1HB ASN 141 129.991 -18.691 -18.691 1043 1HD2 ASN 141 1HD2 ASN 141 131.358 -18.117 -18.117 1044 2HD2 ASN 141 2HD2 ASN 141 132.781 -18.940 -18.940 1045 H HIS 142 H HIS 142 128.883 -18.859 -18.859 1046 HA HIS 142 HA HIS 142 128.902 -20.699 -20.699 1047 1HB HIS 142 2HB HIS 142 130.665 -18.607 -18.607 1048 2HB HIS 142 1HB HIS 142 129.632 -17.948 -17.948 1049 HD1 HIS 142 HD1 HIS 142 132.570 -18.508 -18.508 1050 HD2 HIS 142 HD2 HIS 142 129.535 -21.302 -21.302 1051 HE1 HIS 142 HE1 HIS 142 133.427 -20.135 -20.135 1052 H ALA 143 H ALA 143 127.967 -17.355 -17.355 1053 HA ALA 143 HA ALA 143 125.240 -17.864 -17.864 1054 1HB ALA 143 3HB ALA 143 127.143 -15.677 -15.677 1055 2HB ALA 143 2HB ALA 143 125.460 -15.821 -15.821 1056 3HB ALA 143 1HB ALA 143 126.628 -17.059 -17.059 1057 H ARG 144 H ARG 144 124.086 -17.358 -17.358 1058 HA ARG 144 HA ARG 144 124.749 -15.710 -15.710 1059 1HB ARG 144 2HB ARG 144 122.772 -17.250 -17.250 1060 2HB ARG 144 1HB ARG 144 122.009 -15.987 -15.987 1061 1HG ARG 144 2HG ARG 144 121.696 -14.588 -14.588 1062 2HG ARG 144 1HG ARG 144 123.051 -15.282 -15.282 1063 1HD ARG 144 2HD ARG 144 120.971 -16.024 -16.024 1064 2HD ARG 144 1HD ARG 144 121.699 -17.415 -17.415 1065 HE ARG 144 HE ARG 144 120.094 -17.117 -17.117 1066 1HH1 ARG 144 2HH1 ARG 144 119.056 -16.228 -16.228 1067 2HH1 ARG 144 1HH1 ARG 144 117.718 -15.264 -15.264 1068 1HH2 ARG 144 1HH2 ARG 144 118.627 -15.370 -15.370 1069 2HH2 ARG 144 2HH2 ARG 144 117.477 -14.778 -14.778 1070 H ILE 145 H ILE 145 125.137 -13.546 -13.546 1071 HA ILE 145 HA ILE 145 125.190 -11.249 -11.249 1072 HB ILE 145 HB ILE 145 122.538 -11.931 -11.931 1073 1HG1 ILE 145 2HG1 ILE 145 123.106 -11.097 -11.097 1074 2HG1 ILE 145 1HG1 ILE 145 122.726 -12.746 -12.746 1075 1HG2 ILE 145 3HG2 ILE 145 123.678 -9.369 -9.369 1076 2HG2 ILE 145 2HG2 ILE 145 122.006 -9.569 -9.569 1077 3HG2 ILE 145 1HG2 ILE 145 123.321 -9.688 -9.688 1078 1HD1 ILE 145 2HD1 ILE 145 120.833 -10.703 -10.703 1079 2HD1 ILE 145 1HD1 ILE 145 120.848 -10.903 -10.903 1080 3HD1 ILE 145 3HD1 ILE 145 120.514 -12.286 -12.286 1081 H ASP 146 H ASP 146 125.354 -9.731 -9.731 1082 HA ASP 146 HA ASP 146 125.193 -10.531 -10.531 1083 1HB ASP 146 2HB ASP 146 127.413 -11.610 -11.610 1084 2HB ASP 146 1HB ASP 146 128.001 -10.636 -10.636 1085 H ALA 147 H ALA 147 124.637 -8.321 -8.321 1086 HA ALA 147 HA ALA 147 125.969 -6.055 -6.055 1087 1HB ALA 147 1HB ALA 147 124.364 -6.678 -6.678 1088 2HB ALA 147 3HB ALA 147 125.044 -5.065 -5.065 1089 3HB ALA 147 2HB ALA 147 123.907 -5.710 -5.710 1090 H ALA 148 H ALA 148 128.238 -6.120 -6.120 1091 HA ALA 148 HA ALA 148 129.854 -7.019 -7.019 1092 1HB ALA 148 2HB ALA 148 130.269 -4.845 -4.845 1093 2HB ALA 148 1HB ALA 148 131.561 -5.547 -5.547 1094 3HB ALA 148 3HB ALA 148 130.677 -6.552 -6.552 1095 H GLU 149 H GLU 149 130.263 -6.144 -6.144 1096 HA GLU 149 HA GLU 149 128.864 -3.922 -3.922 1097 1HB GLU 149 2HB GLU 149 131.536 -5.126 -5.126 1098 2HB GLU 149 1HB GLU 149 130.485 -4.172 -4.172 1099 1HG GLU 149 2HG GLU 149 129.494 -6.109 -6.109 1100 2HG GLU 149 1HG GLU 149 128.806 -6.161 -6.161 1101 H GLY 150 H GLY 150 129.521 -1.744 -1.744 1102 1HA GLY 150 2HA GLY 150 130.768 0.233 0.233 1103 2HA GLY 150 1HA GLY 150 132.114 -0.759 -0.759 1104 HA PRO 151 HA PRO 151 129.425 1.046 1.046 1105 1HB PRO 151 2HB PRO 151 130.458 3.566 3.566 1106 2HB PRO 151 1HB PRO 151 129.030 3.219 3.219 1107 1HG PRO 151 2HG PRO 151 131.846 3.686 3.686 1108 2HG PRO 151 1HG PRO 151 130.340 4.203 4.203 1109 1HD PRO 151 2HD PRO 151 131.828 2.087 2.087 1110 2HD PRO 151 1HD PRO 151 130.072 2.219 2.219 1111 H SER 152 H SER 152 130.280 0.546 0.546 1112 HA SER 152 HA SER 152 133.264 0.520 0.520 1113 1HB SER 152 2HB SER 152 131.023 -1.089 -1.089 1114 2HB SER 152 1HB SER 152 132.717 -1.254 -1.254 1115 HG SER 152 HG SER 152 131.382 -2.223 -2.223 1116 H ASP 153 H ASP 153 130.304 1.810 1.810 1117 HA ASP 153 HA ASP 153 130.932 2.358 2.358 1118 1HB ASP 153 2HB ASP 153 128.808 2.815 2.815 1119 2HB ASP 153 1HB ASP 153 129.595 4.225 4.225 1120 H ILE 154 H ILE 154 131.831 4.308 4.308 1121 HA ILE 154 HA ILE 154 133.995 5.560 5.560 1122 HB ILE 154 HB ILE 154 133.677 5.104 5.104 1123 1HG1 ILE 154 2HG1 ILE 154 135.958 3.831 3.831 1124 2HG1 ILE 154 1HG1 ILE 154 134.500 3.378 3.378 1125 1HG2 ILE 154 1HG2 ILE 154 135.292 6.987 6.987 1126 2HG2 ILE 154 3HG2 ILE 154 136.370 5.678 5.678 1127 3HG2 ILE 154 2HG2 ILE 154 135.398 6.515 6.515 1128 1HD1 ILE 154 3HD1 ILE 154 134.860 3.185 3.185 1129 2HD1 ILE 154 2HD1 ILE 154 134.926 1.829 1.829 1130 3HD1 ILE 154 1HD1 ILE 154 133.418 2.713 2.713 1131 HA PRO 155 HA PRO 155 131.044 8.983 8.983 1132 1HB PRO 155 2HB PRO 155 131.527 10.313 10.313 1133 2HB PRO 155 1HB PRO 155 130.354 8.988 8.988 1134 1HG PRO 155 2HG PRO 155 133.127 8.961 8.961 1135 2HG PRO 155 1HG PRO 155 131.685 8.109 8.109 1136 1HD PRO 155 2HD PRO 155 133.662 6.926 6.926 1137 2HD PRO 155 1HD PRO 155 131.973 6.372 6.372 1138 H ASP 156 HN ASP 156 132.026 10.323 10.323 1139 HA ASP 156 HA ASP 156 134.332 11.980 11.980 1140 1HB ASP 156 2HB ASP 156 134.218 9.897 9.897 1141 2HB ASP 156 1HB ASP 156 134.954 11.411 11.411 Start of MODEL 6 1 1H MET 1 3H MET 1 128.412 6.011 6.011 2 2H MET 1 2H MET 1 129.410 5.481 5.481 3 3H MET 1 1H MET 1 129.058 4.443 4.443 4 HA MET 1 HA MET 1 131.229 5.202 5.202 5 1HB MET 1 2HB MET 1 129.994 7.670 7.670 6 2HB MET 1 1HB MET 1 131.358 7.875 7.875 7 1HG MET 1 2HG MET 1 131.809 5.736 5.736 8 2HG MET 1 1HG MET 1 131.529 7.297 7.297 9 1HE MET 1 2HE MET 1 133.000 8.880 8.880 10 2HE MET 1 1HE MET 1 134.716 8.892 8.892 11 3HE MET 1 3HE MET 1 134.039 7.580 7.580 12 H GLU 2 H GLU 2 129.298 8.036 8.036 13 HA GLU 2 HA GLU 2 128.485 7.055 7.055 14 1HB GLU 2 2HB GLU 2 131.144 7.270 7.270 15 2HB GLU 2 1HB GLU 2 130.778 8.963 8.963 16 1HG GLU 2 2HG GLU 2 129.710 8.447 8.447 17 2HG GLU 2 1HG GLU 2 129.522 6.747 6.747 18 HA PRO 3 HA PRO 3 126.401 10.933 10.933 19 1HB PRO 3 2HB PRO 3 124.461 10.665 10.665 20 2HB PRO 3 1HB PRO 3 124.412 9.804 9.804 21 1HG PRO 3 2HG PRO 3 125.156 8.814 8.814 22 2HG PRO 3 1HG PRO 3 124.335 7.976 7.976 23 1HD PRO 3 2HD PRO 3 127.003 7.672 7.672 24 2HD PRO 3 1HD PRO 3 126.290 7.277 7.277 25 H ALA 4 H ALA 4 127.030 12.896 12.896 26 HA ALA 4 HA ALA 4 127.177 13.342 13.342 27 1HB ALA 4 2HB ALA 4 129.329 12.209 12.209 28 2HB ALA 4 1HB ALA 4 129.659 13.755 13.755 29 3HB ALA 4 3HB ALA 4 129.527 13.663 13.663 30 H ALA 5 H ALA 5 125.420 14.754 14.754 31 HA ALA 5 HA ALA 5 126.167 16.969 16.969 32 1HB ALA 5 3HB ALA 5 123.866 15.863 15.863 33 2HB ALA 5 2HB ALA 5 123.947 17.200 17.200 34 3HB ALA 5 1HB ALA 5 123.937 17.524 17.524 35 H GLY 6 H GLY 6 125.713 16.752 16.752 36 1HA GLY 6 2HA GLY 6 127.860 18.336 18.336 37 2HA GLY 6 1HA GLY 6 126.572 19.492 19.492 38 H SER 7 H SER 7 127.175 19.699 19.699 39 HA SER 7 HA SER 7 125.341 17.902 17.902 40 1HB SER 7 2HB SER 7 127.869 19.392 19.392 41 2HB SER 7 1HB SER 7 126.866 18.487 18.487 42 HG SER 7 HG SER 7 127.548 16.653 16.653 43 H SER 8 H SER 8 124.418 19.103 19.103 44 HA SER 8 HA SER 8 123.032 20.861 20.861 45 1HB SER 8 2HB SER 8 125.422 22.333 22.333 46 2HB SER 8 1HB SER 8 124.211 23.085 23.085 47 HG SER 8 HG SER 8 125.654 20.752 20.752 48 H MET 9 H MET 9 122.108 19.878 19.878 49 HA MET 9 HA MET 9 121.309 22.330 22.330 50 1HB MET 9 2HB MET 9 122.834 20.068 20.068 51 2HB MET 9 1HB MET 9 121.256 19.891 19.891 52 1HG MET 9 2HG MET 9 121.707 21.544 21.544 53 2HG MET 9 1HG MET 9 122.172 22.643 22.643 54 1HE MET 9 2HE MET 9 123.121 23.192 23.192 55 2HE MET 9 1HE MET 9 124.850 23.429 23.429 56 3HE MET 9 3HE MET 9 124.272 22.208 22.208 57 H GLU 10 H GLU 10 120.160 20.165 20.165 58 HA GLU 10 HA GLU 10 118.059 19.174 19.174 59 1HB GLU 10 2HB GLU 10 117.849 21.843 21.843 60 2HB GLU 10 1HB GLU 10 116.667 21.091 21.091 61 1HG GLU 10 2HG GLU 10 116.355 19.841 19.841 62 2HG GLU 10 1HG GLU 10 116.478 21.571 21.571 63 HA PRO 11 HA PRO 11 118.002 17.241 17.241 64 1HB PRO 11 2HB PRO 11 118.736 14.728 14.728 65 2HB PRO 11 1HB PRO 11 119.910 15.978 15.978 66 1HG PRO 11 2HG PRO 11 119.043 15.101 15.101 67 2HG PRO 11 1HG PRO 11 120.658 15.535 15.535 68 1HD PRO 11 2HD PRO 11 119.107 17.215 17.215 69 2HD PRO 11 1HD PRO 11 120.297 17.784 17.784 70 H SER 12 H SER 12 116.731 15.001 15.001 71 HA SER 12 HA SER 12 114.333 15.039 15.039 72 1HB SER 12 2HB SER 12 114.487 14.092 14.092 73 2HB SER 12 1HB SER 12 113.059 14.591 14.591 74 HG SER 12 HG SER 12 113.495 16.423 16.423 75 H ALA 13 H ALA 13 116.836 13.020 13.020 76 HA ALA 13 HA ALA 13 115.718 10.442 10.442 77 1HB ALA 13 2HB ALA 13 118.461 11.540 11.540 78 2HB ALA 13 1HB ALA 13 118.129 9.810 9.810 79 3HB ALA 13 3HB ALA 13 117.916 10.819 10.819 80 H ASP 14 H ASP 14 116.654 12.573 12.573 81 HA ASP 14 HA ASP 14 116.593 10.503 10.503 82 1HB ASP 14 2HB ASP 14 116.826 12.511 12.511 83 2HB ASP 14 1HB ASP 14 118.019 12.479 12.479 84 H TRP 15 H TRP 15 114.146 11.550 11.550 85 HA TRP 15 HA TRP 15 112.175 12.464 12.464 86 1HB TRP 15 2HB TRP 15 112.239 11.352 11.352 87 2HB TRP 15 1HB TRP 15 110.689 11.579 11.579 88 HD1 TRP 15 HD1 TRP 15 113.421 14.001 14.001 89 HE1 TRP 15 HE1 TRP 15 112.885 16.316 16.316 90 HE3 TRP 15 HE3 TRP 15 109.487 12.761 12.761 91 HZ2 TRP 15 HZ2 TRP 15 111.028 17.484 17.484 92 HZ3 TRP 15 HZ3 TRP 15 108.354 14.490 14.490 93 HH2 TRP 15 HH2 TRP 15 109.118 16.850 16.850 94 H LEU 16 H LEU 16 113.636 9.424 9.424 95 HA LEU 16 HA LEU 16 111.308 7.734 7.734 96 1HB LEU 16 2HB LEU 16 114.241 7.181 7.181 97 2HB LEU 16 1HB LEU 16 112.978 6.002 6.002 98 HG LEU 16 HG LEU 16 113.993 8.111 8.111 99 1HD1 LEU 16 2HD1 LEU 16 115.156 5.693 5.693 100 2HD1 LEU 16 1HD1 LEU 16 114.249 5.294 5.294 101 3HD1 LEU 16 3HD1 LEU 16 115.458 6.578 6.578 102 1HD2 LEU 16 3HD2 LEU 16 111.562 6.551 6.551 103 2HD2 LEU 16 2HD2 LEU 16 112.054 7.756 7.756 104 3HD2 LEU 16 1HD2 LEU 16 112.524 6.072 6.072 105 H ALA 17 H ALA 17 114.109 8.745 8.745 106 HA ALA 17 HA ALA 17 113.100 7.734 7.734 107 1HB ALA 17 1HB ALA 17 115.392 9.045 9.045 108 2HB ALA 17 3HB ALA 17 114.861 9.983 9.983 109 3HB ALA 17 2HB ALA 17 115.232 8.269 8.269 110 H THR 18 H THR 18 112.747 10.855 10.855 111 HA THR 18 HA THR 18 111.607 12.258 12.258 112 HB THR 18 HB THR 18 110.720 13.554 13.554 113 HG1 THR 18 HG1 THR 18 111.659 11.891 11.891 114 1HG2 THR 18 3HG2 THR 18 113.431 13.586 13.586 115 2HG2 THR 18 2HG2 THR 18 112.929 14.787 14.787 116 3HG2 THR 18 1HG2 THR 18 112.055 14.635 14.635 117 H ALA 19 H ALA 19 110.010 11.112 11.112 118 HA ALA 19 HA ALA 19 107.344 11.528 11.528 119 1HB ALA 19 2HB ALA 19 108.794 10.095 10.095 120 2HB ALA 19 1HB ALA 19 107.322 9.247 9.247 121 3HB ALA 19 3HB ALA 19 107.239 10.918 10.918 122 H ALA 20 H ALA 20 109.335 8.558 8.558 123 HA ALA 20 HA ALA 20 107.525 6.796 6.796 124 1HB ALA 20 2HB ALA 20 109.952 6.452 6.452 125 2HB ALA 20 1HB ALA 20 110.397 7.238 7.238 126 3HB ALA 20 3HB ALA 20 109.500 5.719 5.719 127 H ALA 21 H ALA 21 109.791 8.829 8.829 128 HA ALA 21 HA ALA 21 108.683 8.457 8.457 129 1HB ALA 21 2HB ALA 21 110.418 10.323 10.323 130 2HB ALA 21 1HB ALA 21 109.501 11.131 11.131 131 3HB ALA 21 3HB ALA 21 110.523 9.750 9.750 132 H ARG 22 H ARG 22 107.466 10.334 10.334 133 HA ARG 22 HA ARG 22 105.552 11.837 11.837 134 1HB ARG 22 2HB ARG 22 106.940 12.300 12.300 135 2HB ARG 22 1HB ARG 22 105.362 11.841 11.841 136 1HG ARG 22 2HG ARG 22 105.171 14.169 14.169 137 2HG ARG 22 1HG ARG 22 104.406 13.490 13.490 138 1HD ARG 22 2HD ARG 22 107.159 13.675 13.675 139 2HD ARG 22 1HD ARG 22 106.731 15.209 15.209 140 HE ARG 22 HE ARG 22 105.539 14.150 14.150 141 1HH1 ARG 22 1HH2 ARG 22 104.894 16.106 16.106 142 2HH1 ARG 22 2HH2 ARG 22 104.162 17.383 17.383 143 1HH2 ARG 22 2HH1 ARG 22 104.828 15.941 15.941 144 2HH2 ARG 22 1HH1 ARG 22 104.113 17.284 17.284 145 H GLY 23 H GLY 23 105.348 8.807 8.807 146 1HA GLY 23 2HA GLY 23 103.727 7.172 7.172 147 2HA GLY 23 1HA GLY 23 102.610 8.438 8.438 148 H ARG 24 H ARG 24 104.726 8.327 8.327 149 HA ARG 24 HA ARG 24 102.264 8.489 8.489 150 1HB ARG 24 2HB ARG 24 104.652 10.156 10.156 151 2HB ARG 24 1HB ARG 24 104.383 9.670 9.670 152 1HG ARG 24 2HG ARG 24 102.565 11.002 11.002 153 2HG ARG 24 1HG ARG 24 101.910 10.476 10.476 154 1HD ARG 24 2HD ARG 24 103.692 11.969 11.969 155 2HD ARG 24 1HD ARG 24 103.929 12.673 12.673 156 HE ARG 24 HE ARG 24 101.122 12.515 12.515 157 1HH1 ARG 24 1HH2 ARG 24 104.063 14.356 14.356 158 2HH1 ARG 24 2HH2 ARG 24 103.249 15.873 15.873 159 1HH2 ARG 24 2HH1 ARG 24 100.067 14.492 14.492 160 2HH2 ARG 24 1HH1 ARG 24 100.991 15.951 15.951 161 H VAL 25 H VAL 25 102.239 6.272 6.272 162 HA VAL 25 HA VAL 25 104.673 4.900 4.900 163 HB VAL 25 HB VAL 25 101.720 4.184 4.184 164 1HG1 VAL 25 3HG1 VAL 25 104.237 2.540 2.540 165 2HG1 VAL 25 2HG1 VAL 25 102.649 1.832 1.832 166 3HG1 VAL 25 1HG1 VAL 25 102.925 2.779 2.779 167 1HG2 VAL 25 3HG2 VAL 25 103.055 4.662 4.662 168 2HG2 VAL 25 2HG2 VAL 25 101.943 3.297 3.297 169 3HG2 VAL 25 1HG2 VAL 25 103.678 3.038 3.038 170 H GLU 26 H GLU 26 101.567 5.755 5.755 171 HA GLU 26 HA GLU 26 102.035 5.052 5.052 172 1HB GLU 26 2HB GLU 26 100.634 7.197 7.197 173 2HB GLU 26 1HB GLU 26 99.928 5.958 5.958 174 1HG GLU 26 2HG GLU 26 100.075 7.258 7.258 175 2HG GLU 26 1HG GLU 26 101.566 8.034 8.034 176 H GLU 27 H GLU 27 103.447 7.878 7.878 177 HA GLU 27 HA GLU 27 104.499 9.121 9.121 178 1HB GLU 27 2HB GLU 27 104.928 9.239 9.239 179 2HB GLU 27 1HB GLU 27 106.141 9.983 9.983 180 1HG GLU 27 2HG GLU 27 103.700 10.812 10.812 181 2HG GLU 27 1HG GLU 27 103.454 10.910 10.910 182 H VAL 28 H VAL 28 106.274 7.413 7.413 183 HA VAL 28 HA VAL 28 108.632 6.932 6.932 184 HB VAL 28 HB VAL 28 107.475 5.139 5.139 185 1HG1 VAL 28 1HG1 VAL 28 109.759 4.792 4.792 186 2HG1 VAL 28 3HG1 VAL 28 110.327 6.019 6.019 187 3HG1 VAL 28 2HG1 VAL 28 109.654 4.506 4.506 188 1HG2 VAL 28 1HG2 VAL 28 108.184 7.984 7.984 189 2HG2 VAL 28 3HG2 VAL 28 107.313 6.994 6.994 190 3HG2 VAL 28 2HG2 VAL 28 109.077 7.004 7.004 191 H ARG 29 H ARG 29 105.723 4.871 4.871 192 HA ARG 29 HA ARG 29 106.474 2.536 2.536 193 1HB ARG 29 2HB ARG 29 104.217 3.518 3.518 194 2HB ARG 29 1HB ARG 29 103.809 3.742 3.742 195 1HG ARG 29 2HG ARG 29 103.045 1.578 1.578 196 2HG ARG 29 1HG ARG 29 104.689 1.257 1.257 197 1HD ARG 29 2HD ARG 29 105.459 0.763 0.763 198 2HD ARG 29 1HD ARG 29 104.109 1.617 1.617 199 HE ARG 29 HE ARG 29 102.897 -0.394 -0.394 200 1HH1 ARG 29 1HH2 ARG 29 105.759 -0.782 -0.782 201 2HH1 ARG 29 2HH2 ARG 29 105.157 -2.044 -2.044 202 1HH2 ARG 29 2HH1 ARG 29 101.895 -1.775 -1.775 203 2HH2 ARG 29 1HH1 ARG 29 102.976 -2.600 -2.600 204 H ALA 30 H ALA 30 105.124 5.493 5.493 205 HA ALA 30 HA ALA 30 105.675 4.452 4.452 206 1HB ALA 30 3HB ALA 30 103.994 6.413 6.413 207 2HB ALA 30 2HB ALA 30 104.856 7.160 7.160 208 3HB ALA 30 1HB ALA 30 103.848 5.740 5.740 209 H LEU 31 H LEU 31 106.649 7.320 7.320 210 HA LEU 31 HA LEU 31 108.536 8.343 8.343 211 1HB LEU 31 2HB LEU 31 108.633 9.931 9.931 212 2HB LEU 31 1HB LEU 31 107.523 8.952 8.952 213 HG LEU 31 HG LEU 31 109.625 7.724 7.724 214 1HD1 LEU 31 1HD1 LEU 31 110.842 9.338 9.338 215 2HD1 LEU 31 3HD1 LEU 31 111.233 10.129 10.129 216 3HD1 LEU 31 2HD1 LEU 31 111.666 8.441 8.441 217 1HD2 LEU 31 3HD2 LEU 31 108.277 9.364 9.364 218 2HD2 LEU 31 2HD2 LEU 31 109.993 9.432 9.432 219 3HD2 LEU 31 1HD2 LEU 31 109.281 10.662 10.662 220 H LEU 32 H LEU 32 108.986 5.938 5.938 221 HA LEU 32 HA LEU 32 111.834 5.704 5.704 222 1HB LEU 32 2HB LEU 32 110.311 4.962 4.962 223 2HB LEU 32 1HB LEU 32 109.953 3.544 3.544 224 HG LEU 32 HG LEU 32 112.815 4.329 4.329 225 1HD1 LEU 32 2HD1 LEU 32 110.896 3.148 3.148 226 2HD1 LEU 32 1HD1 LEU 32 112.536 2.503 2.503 227 3HD1 LEU 32 3HD1 LEU 32 112.274 4.215 4.215 228 1HD2 LEU 32 3HD2 LEU 32 111.923 2.475 2.475 229 2HD2 LEU 32 2HD2 LEU 32 113.251 2.080 2.080 230 3HD2 LEU 32 1HD2 LEU 32 111.612 1.579 1.579 231 H GLU 33 H GLU 33 109.071 3.779 3.779 232 HA GLU 33 HA GLU 33 110.578 1.912 1.912 233 1HB GLU 33 2HB GLU 33 108.122 1.906 1.906 234 2HB GLU 33 1HB GLU 33 107.853 3.070 3.070 235 1HG GLU 33 2HG GLU 33 109.119 1.305 1.305 236 2HG GLU 33 1HG GLU 33 108.676 0.185 0.185 237 H ALA 34 H ALA 34 110.072 5.284 5.284 238 HA ALA 34 HA ALA 34 110.298 5.285 5.285 239 1HB ALA 34 3HB ALA 34 109.227 7.075 7.075 240 2HB ALA 34 2HB ALA 34 110.780 7.426 7.426 241 3HB ALA 34 1HB ALA 34 110.556 7.719 7.719 242 H GLY 35 H GLY 35 112.551 6.482 6.482 243 1HA GLY 35 2HA GLY 35 114.824 5.068 5.068 244 2HA GLY 35 1HA GLY 35 114.810 6.709 6.709 245 H ALA 36 H ALA 36 113.564 6.011 6.011 246 HA ALA 36 HA ALA 36 115.330 7.965 7.965 247 1HB ALA 36 1HB ALA 36 113.020 7.346 7.346 248 2HB ALA 36 3HB ALA 36 113.648 5.795 5.795 249 3HB ALA 36 2HB ALA 36 114.192 7.291 7.291 250 H LEU 37 H LEU 37 116.774 7.374 7.374 251 HA LEU 37 HA LEU 37 118.499 5.083 5.083 252 1HB LEU 37 2HB LEU 37 118.750 7.705 7.705 253 2HB LEU 37 1HB LEU 37 119.845 6.434 6.434 254 HG LEU 37 HG LEU 37 120.821 7.792 7.792 255 1HD1 LEU 37 1HD1 LEU 37 121.279 5.294 5.294 256 2HD1 LEU 37 3HD1 LEU 37 120.197 5.008 5.008 257 3HD1 LEU 37 2HD1 LEU 37 121.674 5.942 5.942 258 1HD2 LEU 37 1HD2 LEU 37 118.436 6.693 6.693 259 2HD2 LEU 37 3HD2 LEU 37 118.837 8.388 8.388 260 3HD2 LEU 37 2HD2 LEU 37 119.845 7.402 7.402 261 HA PRO 38 HA PRO 38 116.940 2.780 2.780 262 1HB PRO 38 2HB PRO 38 118.834 0.803 0.803 263 2HB PRO 38 1HB PRO 38 117.500 0.862 0.862 264 1HG PRO 38 2HG PRO 38 120.345 1.685 1.685 265 2HG PRO 38 1HG PRO 38 119.275 0.857 0.857 266 1HD PRO 38 2HD PRO 38 119.850 3.512 3.512 267 2HD PRO 38 1HD PRO 38 118.319 2.812 2.812 268 H ASN 39 H ASN 39 120.175 4.033 4.033 269 HA ASN 39 HA ASN 39 120.463 4.054 4.054 270 1HB ASN 39 2HB ASN 39 122.661 3.730 3.730 271 2HB ASN 39 1HB ASN 39 122.787 3.486 3.486 272 1HD2 ASN 39 1HD2 ASN 39 120.496 1.923 1.923 273 2HD2 ASN 39 2HD2 ASN 39 120.618 0.448 0.448 274 H ALA 40 H ALA 40 119.285 6.203 6.203 275 HA ALA 40 HA ALA 40 121.249 8.180 8.180 276 1HB ALA 40 3HB ALA 40 118.492 7.681 7.681 277 2HB ALA 40 2HB ALA 40 118.614 9.172 9.172 278 3HB ALA 40 1HB ALA 40 119.362 9.065 9.065 279 HA PRO 41 HA PRO 41 122.128 9.840 9.840 280 1HB PRO 41 2HB PRO 41 122.936 12.343 12.343 281 2HB PRO 41 1HB PRO 41 123.939 10.896 10.896 282 1HG PRO 41 2HG PRO 41 122.232 12.346 12.346 283 2HG PRO 41 1HG PRO 41 123.835 11.623 11.623 284 1HD PRO 41 2HD PRO 41 121.554 10.428 10.428 285 2HD PRO 41 1HD PRO 41 122.993 9.519 9.519 286 H ASN 42 H ASN 42 120.836 10.891 10.891 287 HA ASN 42 HA ASN 42 118.461 12.373 12.373 288 1HB ASN 42 2HB ASN 42 119.046 11.404 11.404 289 2HB ASN 42 1HB ASN 42 117.474 11.776 11.776 290 1HD2 ASN 42 1HD2 ASN 42 120.058 9.362 9.362 291 2HD2 ASN 42 2HD2 ASN 42 119.196 8.147 8.147 292 H SER 43 H SER 43 117.866 13.822 13.822 293 HA SER 43 HA SER 43 120.097 15.825 15.825 294 1HB SER 43 2HB SER 43 117.222 16.430 16.430 295 2HB SER 43 1HB SER 43 118.451 17.485 17.485 296 HG SER 43 HG SER 43 117.445 16.935 16.935 297 H TYR 44 H TYR 44 119.108 13.402 13.402 298 HA TYR 44 HA TYR 44 119.702 14.836 14.836 299 1HB TYR 44 2HB TYR 44 117.558 13.060 13.060 300 2HB TYR 44 1HB TYR 44 117.548 14.815 14.815 301 HD1 TYR 44 HD2 TYR 44 117.330 12.118 12.118 302 HD2 TYR 44 HD1 TYR 44 115.959 15.951 15.951 303 HE1 TYR 44 HE2 TYR 44 115.719 12.223 12.223 304 HE2 TYR 44 HE1 TYR 44 114.348 16.050 16.050 305 HH TYR 44 HH TYR 44 113.267 14.705 14.705 306 H GLY 45 H GLY 45 120.972 12.731 12.731 307 1HA GLY 45 2HA GLY 45 122.119 10.712 10.712 308 2HA GLY 45 1HA GLY 45 122.115 11.094 11.094 309 H ARG 46 H ARG 46 119.212 10.632 10.632 310 HA ARG 46 HA ARG 46 118.612 8.192 8.192 311 1HB ARG 46 2HB ARG 46 117.309 10.556 10.556 312 2HB ARG 46 1HB ARG 46 116.474 9.753 9.753 313 1HG ARG 46 2HG ARG 46 115.220 9.129 9.129 314 2HG ARG 46 1HG ARG 46 116.267 7.739 7.739 315 1HD ARG 46 2HD ARG 46 116.792 8.008 8.008 316 2HD ARG 46 1HD ARG 46 117.858 9.292 9.292 317 HE ARG 46 HE ARG 46 116.019 10.901 10.901 318 1HH1 ARG 46 1HH2 ARG 46 114.909 7.764 7.764 319 2HH1 ARG 46 2HH2 ARG 46 114.082 8.207 8.207 320 1HH2 ARG 46 2HH1 ARG 46 115.276 11.459 11.459 321 2HH2 ARG 46 1HH1 ARG 46 114.283 10.295 10.295 322 H ARG 47 H ARG 47 119.386 6.627 6.627 323 HA ARG 47 HA ARG 47 119.166 6.562 6.562 324 1HB ARG 47 2HB ARG 47 119.309 4.598 4.598 325 2HB ARG 47 1HB ARG 47 118.965 3.967 3.967 326 1HG ARG 47 2HG ARG 47 121.259 5.862 5.862 327 2HG ARG 47 1HG ARG 47 121.438 4.110 4.110 328 1HD ARG 47 2HD ARG 47 120.627 3.925 3.925 329 2HD ARG 47 1HD ARG 47 120.545 5.695 5.695 330 HE ARG 47 HE ARG 47 123.067 4.156 4.156 331 1HH1 ARG 47 1HH2 ARG 47 121.648 6.112 6.112 332 2HH1 ARG 47 2HH2 ARG 47 122.874 7.337 7.337 333 1HH2 ARG 47 2HH1 ARG 47 124.518 6.092 6.092 334 2HH2 ARG 47 1HH1 ARG 47 124.508 7.318 7.318 335 HA PRO 48 HA PRO 48 114.960 5.824 5.824 336 1HB PRO 48 2HB PRO 48 115.007 3.603 3.603 337 2HB PRO 48 1HB PRO 48 115.553 5.209 5.209 338 1HG PRO 48 2HG PRO 48 117.165 2.889 2.889 339 2HG PRO 48 1HG PRO 48 117.476 4.000 4.000 340 1HD PRO 48 2HD PRO 48 118.727 4.241 4.241 341 2HD PRO 48 1HD PRO 48 118.302 5.654 5.654 342 H ILE 49 H ILE 49 113.129 4.228 4.228 343 HA ILE 49 HA ILE 49 111.919 2.664 2.664 344 HB ILE 49 HB ILE 49 114.670 1.413 1.413 345 1HG1 ILE 49 2HG1 ILE 49 112.663 1.489 1.489 346 2HG1 ILE 49 1HG1 ILE 49 114.393 1.169 1.169 347 1HG2 ILE 49 2HG2 ILE 49 112.781 0.760 0.760 348 2HG2 ILE 49 1HG2 ILE 49 111.969 0.069 0.069 349 3HG2 ILE 49 3HG2 ILE 49 113.540 -0.553 -0.553 350 1HD1 ILE 49 2HD1 ILE 49 113.810 -1.102 -1.102 351 2HD1 ILE 49 1HD1 ILE 49 112.153 -0.753 -0.753 352 3HD1 ILE 49 3HD1 ILE 49 113.421 -0.903 -0.903 353 H GLN 50 H GLN 50 115.088 2.955 2.955 354 HA GLN 50 HA GLN 50 114.192 2.904 2.904 355 1HB GLN 50 2HB GLN 50 116.549 3.074 3.074 356 2HB GLN 50 1HB GLN 50 116.269 4.743 4.743 357 1HG GLN 50 2HG GLN 50 115.680 5.314 5.314 358 2HG GLN 50 1HG GLN 50 116.027 3.653 3.653 359 1HE2 GLN 50 1HE2 GLN 50 118.377 2.946 2.946 360 2HE2 GLN 50 2HE2 GLN 50 119.608 4.069 4.069 361 H VAL 51 H VAL 51 113.800 5.452 5.452 362 HA VAL 51 HA VAL 51 112.396 7.117 7.117 363 HB VAL 51 HB VAL 51 114.534 7.953 7.953 364 1HG1 VAL 51 1HG1 VAL 51 113.188 7.119 7.119 365 2HG1 VAL 51 3HG1 VAL 51 113.319 8.876 8.876 366 3HG1 VAL 51 2HG1 VAL 51 114.767 7.890 7.890 367 1HG2 VAL 51 2HG2 VAL 51 112.098 9.283 9.283 368 2HG2 VAL 51 1HG2 VAL 51 113.710 9.995 9.995 369 3HG2 VAL 51 3HG2 VAL 51 112.704 9.967 9.967 370 H MET 52 H MET 52 110.992 4.993 4.993 371 HA MET 52 HA MET 52 109.377 6.407 6.407 372 1HB MET 52 2HB MET 52 108.556 4.108 4.108 373 2HB MET 52 1HB MET 52 110.311 4.224 4.224 374 1HG MET 52 2HG MET 52 110.493 2.556 2.556 375 2HG MET 52 1HG MET 52 109.710 3.571 3.571 376 1HE MET 52 1HE MET 52 110.033 0.619 0.619 377 2HE MET 52 3HE MET 52 108.862 0.598 0.598 378 3HE MET 52 2HE MET 52 108.537 -0.300 -0.300 379 H MET 53 H MET 53 109.203 6.999 6.999 380 HA MET 53 HA MET 53 107.470 7.513 7.513 381 1HB MET 53 2HB MET 53 106.259 7.476 7.476 382 2HB MET 53 1HB MET 53 105.498 6.036 6.036 383 1HG MET 53 2HG MET 53 104.866 7.396 7.396 384 2HG MET 53 1HG MET 53 105.502 8.822 8.822 385 1HE MET 53 1HE MET 53 103.653 5.718 5.718 386 2HE MET 53 3HE MET 53 102.026 6.143 6.143 387 3HE MET 53 2HE MET 53 103.334 5.967 5.967 388 H MET 54 H MET 54 108.412 4.394 4.394 389 HA MET 54 HA MET 54 108.143 2.257 2.257 390 1HB MET 54 2HB MET 54 108.484 4.358 4.358 391 2HB MET 54 1HB MET 54 107.981 2.772 2.772 392 1HG MET 54 2HG MET 54 110.474 3.065 3.065 393 2HG MET 54 1HG MET 54 109.888 1.704 1.704 394 1HE MET 54 1HE MET 54 110.720 1.105 1.105 395 2HE MET 54 3HE MET 54 110.817 1.924 1.924 396 3HE MET 54 2HE MET 54 112.233 1.839 1.839 397 H GLY 55 H GLY 55 105.598 3.781 3.781 398 1HA GLY 55 2HA GLY 55 103.765 2.164 2.164 399 2HA GLY 55 1HA GLY 55 103.391 3.853 3.853 400 H SER 56 H SER 56 105.007 2.103 2.103 401 HA SER 56 HA SER 56 102.535 1.248 1.248 402 1HB SER 56 2HB SER 56 103.816 3.822 3.822 403 2HB SER 56 1HB SER 56 103.838 2.884 2.884 404 HG SER 56 HG SER 56 101.819 4.201 4.201 405 H ALA 57 H ALA 57 103.956 -0.750 -0.750 406 HA ALA 57 HA ALA 57 106.474 -1.309 -1.309 407 1HB ALA 57 3HB ALA 57 104.931 -2.849 -2.849 408 2HB ALA 57 2HB ALA 57 103.980 -3.032 -3.032 409 3HB ALA 57 1HB ALA 57 105.642 -3.614 -3.614 410 H ARG 58 H ARG 58 103.499 -0.723 -0.723 411 HA ARG 58 HA ARG 58 103.946 -1.768 -1.768 412 1HB ARG 58 2HB ARG 58 102.381 0.238 0.238 413 2HB ARG 58 1HB ARG 58 103.070 0.982 0.982 414 1HG ARG 58 2HG ARG 58 101.822 -0.282 -0.282 415 2HG ARG 58 1HG ARG 58 102.024 -1.739 -1.739 416 1HD ARG 58 2HD ARG 58 99.932 -1.452 -1.452 417 2HD ARG 58 1HD ARG 58 100.419 0.127 0.127 418 HE ARG 58 HE ARG 58 99.936 0.207 0.207 419 1HH1 ARG 58 1HH2 ARG 58 97.466 -0.931 -0.931 420 2HH1 ARG 58 2HH2 ARG 58 96.544 0.515 0.515 421 1HH2 ARG 58 2HH1 ARG 58 99.211 2.637 2.637 422 2HH2 ARG 58 1HH1 ARG 58 97.534 2.538 2.538 423 H VAL 59 H VAL 59 105.145 1.366 1.366 424 HA VAL 59 HA VAL 59 106.632 2.187 2.187 425 HB VAL 59 HB VAL 59 107.188 2.575 2.575 426 1HG1 VAL 59 3HG1 VAL 59 108.556 3.477 3.477 427 2HG1 VAL 59 2HG1 VAL 59 107.907 4.850 4.850 428 3HG1 VAL 59 1HG1 VAL 59 108.998 3.718 3.718 429 1HG2 VAL 59 2HG2 VAL 59 105.460 4.073 4.073 430 2HG2 VAL 59 1HG2 VAL 59 104.948 3.314 3.314 431 3HG2 VAL 59 3HG2 VAL 59 105.956 4.759 4.759 432 H ALA 60 H ALA 60 108.047 0.722 0.722 433 HA ALA 60 HA ALA 60 110.608 0.171 0.171 434 1HB ALA 60 3HB ALA 60 108.678 -1.394 -1.394 435 2HB ALA 60 2HB ALA 60 110.365 -1.876 -1.876 436 3HB ALA 60 1HB ALA 60 109.967 -0.309 -0.309 437 H GLU 61 H GLU 61 107.800 -2.034 -2.034 438 HA GLU 61 HA GLU 61 108.873 -4.161 -4.161 439 1HB GLU 61 2HB GLU 61 106.420 -3.389 -3.389 440 2HB GLU 61 1HB GLU 61 106.408 -2.799 -2.799 441 1HG GLU 61 2HG GLU 61 107.181 -5.629 -5.629 442 2HG GLU 61 1HG GLU 61 105.549 -5.163 -5.163 443 H LEU 62 H LEU 62 107.750 -1.126 -1.126 444 HA LEU 62 HA LEU 62 108.634 -1.674 -1.674 445 1HB LEU 62 2HB LEU 62 107.279 0.153 0.153 446 2HB LEU 62 1HB LEU 62 107.684 0.555 0.555 447 HG LEU 62 HG LEU 62 109.791 1.570 1.570 448 1HD1 LEU 62 1HD1 LEU 62 109.057 0.202 0.202 449 2HD1 LEU 62 3HD1 LEU 62 109.477 1.892 1.892 450 3HD1 LEU 62 2HD1 LEU 62 110.625 0.815 0.815 451 1HD2 LEU 62 2HD2 LEU 62 107.143 2.455 2.455 452 2HD2 LEU 62 1HD2 LEU 62 108.236 3.254 3.254 453 3HD2 LEU 62 3HD2 LEU 62 108.567 3.303 3.303 454 H LEU 63 H LEU 63 110.245 0.269 0.269 455 HA LEU 63 HA LEU 63 112.664 0.709 0.709 456 1HB LEU 63 2HB LEU 63 111.713 0.873 0.873 457 2HB LEU 63 1HB LEU 63 113.439 1.018 1.018 458 HG LEU 63 HG LEU 63 111.736 2.610 2.610 459 1HD1 LEU 63 3HD1 LEU 63 111.951 3.277 3.277 460 2HD1 LEU 63 2HD1 LEU 63 111.336 4.366 4.366 461 3HD1 LEU 63 1HD1 LEU 63 110.467 2.878 2.878 462 1HD2 LEU 63 1HD2 LEU 63 114.376 2.695 2.695 463 2HD2 LEU 63 3HD2 LEU 63 113.892 3.305 3.305 464 3HD2 LEU 63 2HD2 LEU 63 113.583 4.265 4.265 465 H LEU 64 H LEU 64 111.944 -1.623 -1.623 466 HA LEU 64 HA LEU 64 114.392 -2.944 -2.944 467 1HB LEU 64 2HB LEU 64 111.833 -3.229 -3.229 468 2HB LEU 64 1HB LEU 64 112.010 -4.687 -4.687 469 HG LEU 64 HG LEU 64 114.418 -4.199 -4.199 470 1HD1 LEU 64 1HD1 LEU 64 111.772 -4.194 -4.194 471 2HD1 LEU 64 3HD1 LEU 64 113.228 -4.826 -4.826 472 3HD1 LEU 64 2HD1 LEU 64 113.166 -3.142 -3.142 473 1HD2 LEU 64 2HD2 LEU 64 112.603 -6.362 -6.362 474 2HD2 LEU 64 1HD2 LEU 64 114.329 -6.420 -6.420 475 3HD2 LEU 64 3HD2 LEU 64 113.158 -6.516 -6.516 476 H LEU 65 H LEU 65 111.697 -4.072 -4.072 477 HA LEU 65 HA LEU 65 113.225 -6.007 -6.007 478 1HB LEU 65 2HB LEU 65 111.346 -6.126 -6.126 479 2HB LEU 65 1HB LEU 65 110.661 -5.449 -5.449 480 HG LEU 65 HG LEU 65 111.368 -3.158 -3.158 481 1HD1 LEU 65 3HD1 LEU 65 111.218 -5.230 -5.230 482 2HD1 LEU 65 2HD1 LEU 65 110.584 -3.618 -3.618 483 3HD1 LEU 65 1HD1 LEU 65 112.274 -3.823 -3.823 484 1HD2 LEU 65 3HD2 LEU 65 109.080 -3.913 -3.913 485 2HD2 LEU 65 2HD2 LEU 65 109.066 -2.944 -2.944 486 3HD2 LEU 65 1HD2 LEU 65 108.887 -4.696 -4.696 487 H HIS 66 H HIS 66 113.148 -2.538 -2.538 488 HA HIS 66 HA HIS 66 114.469 -2.394 -2.394 489 1HB HIS 66 2HB HIS 66 113.086 -0.728 -0.728 490 2HB HIS 66 1HB HIS 66 114.496 0.056 0.056 491 HD1 HIS 66 HD1 HIS 66 111.040 -0.858 -0.858 492 HD2 HIS 66 HD2 HIS 66 114.449 0.124 0.124 493 HE1 HIS 66 HE1 HIS 66 110.260 -0.331 -0.331 494 H GLY 67 H GLY 67 115.464 -3.105 -3.105 495 1HA GLY 67 2HA GLY 67 117.666 -3.472 -3.472 496 2HA GLY 67 1HA GLY 67 118.241 -2.593 -2.593 497 H ALA 68 H ALA 68 115.977 -1.579 -1.579 498 HA ALA 68 HA ALA 68 117.091 1.062 1.062 499 1HB ALA 68 2HB ALA 68 114.879 -0.306 -0.306 500 2HB ALA 68 1HB ALA 68 115.796 -0.122 -0.122 501 3HB ALA 68 3HB ALA 68 115.337 1.302 1.302 502 H GLU 69 H GLU 69 117.277 0.983 0.983 503 HA GLU 69 HA GLU 69 119.988 -0.275 -0.275 504 1HB GLU 69 2HB GLU 69 119.495 2.341 2.341 505 2HB GLU 69 1HB GLU 69 119.131 2.070 2.070 506 1HG GLU 69 2HG GLU 69 121.440 2.531 2.531 507 2HG GLU 69 1HG GLU 69 121.369 0.769 0.769 508 HA PRO 70 HA PRO 70 117.071 -1.882 -1.882 509 1HB PRO 70 2HB PRO 70 117.260 -4.533 -4.533 510 2HB PRO 70 1HB PRO 70 116.046 -3.459 -3.459 511 1HG PRO 70 2HG PRO 70 118.619 -4.440 -4.440 512 2HG PRO 70 1HG PRO 70 117.060 -4.192 -4.192 513 1HD PRO 70 2HD PRO 70 119.160 -2.454 -2.454 514 2HD PRO 70 1HD PRO 70 117.457 -1.972 -1.972 515 H ASN 71 H ASN 71 120.135 -3.150 -3.150 516 HA ASN 71 HA ASN 71 120.926 -4.295 -4.295 517 1HB ASN 71 2HB ASN 71 122.720 -3.856 -3.856 518 2HB ASN 71 1HB ASN 71 122.750 -5.171 -5.171 519 1HD2 ASN 71 1HD2 ASN 71 121.451 -4.143 -4.143 520 2HD2 ASN 71 2HD2 ASN 71 120.466 -5.496 -5.496 521 H CYS 72 H CYS 72 122.664 -2.024 -2.024 522 HA CYS 72 HA CYS 72 124.421 -0.920 -0.920 523 1HB CYS 72 2HB CYS 72 123.865 -0.561 -0.561 524 2HB CYS 72 1HB CYS 72 123.111 0.897 0.897 525 HG CYS 72 HG CYS 72 125.924 0.851 0.851 526 H ALA 73 H ALA 73 124.330 0.746 0.746 527 HA ALA 73 HA ALA 73 121.620 1.887 1.887 528 1HB ALA 73 3HB ALA 73 122.914 0.055 0.055 529 2HB ALA 73 2HB ALA 73 123.683 1.502 1.502 530 3HB ALA 73 1HB ALA 73 121.935 1.315 1.315 531 H ASP 74 H ASP 74 122.744 3.554 3.554 532 HA ASP 74 HA ASP 74 124.084 5.603 5.603 533 1HB ASP 74 2HB ASP 74 121.859 5.665 5.665 534 2HB ASP 74 1HB ASP 74 123.104 6.305 6.305 535 HA PRO 75 HA PRO 75 127.779 5.052 5.052 536 1HB PRO 75 2HB PRO 75 128.907 7.532 7.532 537 2HB PRO 75 1HB PRO 75 128.858 6.334 6.334 538 1HG PRO 75 2HG PRO 75 127.106 8.695 8.695 539 2HG PRO 75 1HG PRO 75 127.773 8.070 8.070 540 1HD PRO 75 2HD PRO 75 125.205 7.640 7.640 541 2HD PRO 75 1HD PRO 75 126.111 6.505 6.505 542 H ALA 76 H ALA 76 125.461 7.573 7.573 543 HA ALA 76 HA ALA 76 126.375 8.887 8.887 544 1HB ALA 76 2HB ALA 76 123.724 7.883 7.883 545 2HB ALA 76 1HB ALA 76 123.800 8.613 8.613 546 3HB ALA 76 3HB ALA 76 124.281 9.545 9.545 547 H THR 77 H THR 77 124.070 6.205 6.205 548 HA THR 77 HA THR 77 125.815 5.047 5.047 549 HB THR 77 HB THR 77 123.901 4.887 4.887 550 HG1 THR 77 HG1 THR 77 121.859 5.629 5.629 551 1HG2 THR 77 1HG2 THR 77 125.003 7.279 7.279 552 2HG2 THR 77 3HG2 THR 77 123.293 7.594 7.594 553 3HG2 THR 77 2HG2 THR 77 123.828 7.081 7.081 554 H LEU 78 H LEU 78 125.576 4.182 4.182 555 HA LEU 78 HA LEU 78 124.977 2.332 2.332 556 1HB LEU 78 2HB LEU 78 125.864 1.529 1.529 557 2HB LEU 78 1HB LEU 78 125.068 0.255 0.255 558 HG LEU 78 HG LEU 78 127.559 1.803 1.803 559 1HD1 LEU 78 2HD1 LEU 78 127.492 -0.388 -0.388 560 2HD1 LEU 78 1HD1 LEU 78 127.098 -1.171 -1.171 561 3HD1 LEU 78 3HD1 LEU 78 128.618 -0.295 -0.295 562 1HD2 LEU 78 1HD2 LEU 78 125.582 0.399 0.399 563 2HD2 LEU 78 3HD2 LEU 78 126.594 1.801 1.801 564 3HD2 LEU 78 2HD2 LEU 78 127.298 0.183 0.183 565 H THR 79 H THR 79 122.615 3.694 3.694 566 HA THR 79 HA THR 79 120.709 1.771 1.771 567 HB THR 79 HB THR 79 120.592 4.525 4.525 568 HG1 THR 79 HG1 THR 79 120.647 3.427 3.427 569 1HG2 THR 79 3HG2 THR 79 118.272 2.912 2.912 570 2HG2 THR 79 2HG2 THR 79 118.204 4.606 4.606 571 3HG2 THR 79 1HG2 THR 79 118.504 3.351 3.351 572 H ARG 80 H ARG 80 120.397 -0.025 -0.025 573 HA ARG 80 HA ARG 80 120.291 0.198 0.198 574 1HB ARG 80 2HB ARG 80 120.766 -1.782 -1.782 575 2HB ARG 80 1HB ARG 80 119.109 -2.152 -2.152 576 1HG ARG 80 2HG ARG 80 119.697 -2.752 -2.752 577 2HG ARG 80 1HG ARG 80 120.931 -1.499 -1.499 578 1HD ARG 80 2HD ARG 80 121.438 -3.769 -3.769 579 2HD ARG 80 1HD ARG 80 121.619 -4.067 -4.067 580 HE ARG 80 HE ARG 80 122.958 -1.714 -1.714 581 1HH1 ARG 80 2HH1 ARG 80 123.866 -4.807 -4.807 582 2HH1 ARG 80 1HH1 ARG 80 125.107 -4.564 -4.564 583 1HH2 ARG 80 1HH2 ARG 80 124.182 -1.297 -1.297 584 2HH2 ARG 80 2HH2 ARG 80 125.292 -2.577 -2.577 585 HA PRO 81 HA PRO 81 116.000 1.196 1.196 586 1HB PRO 81 2HB PRO 81 115.312 -0.321 -0.321 587 2HB PRO 81 1HB PRO 81 116.261 1.176 1.176 588 1HG PRO 81 2HG PRO 81 117.210 -1.659 -1.659 589 2HG PRO 81 1HG PRO 81 117.707 -0.329 -0.329 590 1HD PRO 81 2HD PRO 81 119.201 -1.047 -1.047 591 2HD PRO 81 1HD PRO 81 119.022 0.664 0.664 592 H VAL 82 H VAL 82 117.156 -2.002 -2.002 593 HA VAL 82 HA VAL 82 114.745 -3.517 -3.517 594 HB VAL 82 HB VAL 82 117.506 -3.590 -3.590 595 1HG1 VAL 82 3HG1 VAL 82 115.158 -5.373 -5.373 596 2HG1 VAL 82 2HG1 VAL 82 116.806 -5.983 -5.983 597 3HG1 VAL 82 1HG1 VAL 82 116.306 -4.641 -4.641 598 1HG2 VAL 82 1HG2 VAL 82 116.695 -4.241 -4.241 599 2HG2 VAL 82 3HG2 VAL 82 117.957 -5.150 -5.150 600 3HG2 VAL 82 2HG2 VAL 82 116.303 -5.761 -5.761 601 H HIS 83 H HIS 83 116.358 -1.307 -1.307 602 HA HIS 83 HA HIS 83 114.726 -1.924 -1.924 603 1HB HIS 83 2HB HIS 83 116.362 0.518 0.518 604 2HB HIS 83 1HB HIS 83 115.756 0.181 0.181 605 HD2 HIS 83 HD2 HIS 83 117.876 -0.892 -0.892 606 HE1 HIS 83 HE1 HIS 83 119.523 -3.299 -3.299 607 HE2 HIS 83 HE2 HIS 83 119.715 -2.597 -2.597 608 H ASP 84 H ASP 84 114.543 0.385 0.385 609 HA ASP 84 HA ASP 84 112.488 2.100 2.100 610 1HB ASP 84 2HB ASP 84 113.793 1.315 1.315 611 2HB ASP 84 1HB ASP 84 112.076 1.598 1.598 612 H ALA 85 H ALA 85 112.196 -1.006 -1.006 613 HA ALA 85 HA ALA 85 109.358 -1.110 -1.110 614 1HB ALA 85 2HB ALA 85 111.392 -2.608 -2.608 615 2HB ALA 85 1HB ALA 85 110.990 -3.566 -3.566 616 3HB ALA 85 3HB ALA 85 109.777 -3.289 -3.289 617 H ALA 86 H ALA 86 111.479 -2.713 -2.713 618 HA ALA 86 HA ALA 86 109.344 -3.410 -3.410 619 1HB ALA 86 3HB ALA 86 111.929 -4.116 -4.116 620 2HB ALA 86 2HB ALA 86 112.127 -3.080 -3.080 621 3HB ALA 86 1HB ALA 86 111.070 -4.489 -4.489 622 H ARG 87 H ARG 87 111.046 -0.456 -0.456 623 HA ARG 87 HA ARG 87 110.720 0.633 0.633 624 1HB ARG 87 2HB ARG 87 112.578 1.392 1.392 625 2HB ARG 87 1HB ARG 87 111.578 1.650 1.650 626 1HG ARG 87 2HG ARG 87 112.081 3.813 3.813 627 2HG ARG 87 1HG ARG 87 110.381 3.475 3.475 628 1HD ARG 87 2HD ARG 87 110.704 3.330 3.330 629 2HD ARG 87 1HD ARG 87 112.283 2.538 2.538 630 HE ARG 87 HE ARG 87 112.397 5.249 5.249 631 1HH1 ARG 87 2HH1 ARG 87 111.101 5.709 5.709 632 2HH1 ARG 87 1HH1 ARG 87 112.454 5.818 5.818 633 1HH2 ARG 87 1HH2 ARG 87 114.675 4.354 4.354 634 2HH2 ARG 87 2HH2 ARG 87 114.476 5.047 5.047 635 H GLU 88 H GLU 88 108.863 0.440 0.440 636 HA GLU 88 HA GLU 88 106.879 2.402 2.402 637 1HB GLU 88 2HB GLU 88 108.143 2.010 2.010 638 2HB GLU 88 1HB GLU 88 106.434 1.635 1.635 639 1HG GLU 88 2HG GLU 88 107.480 4.159 4.159 640 2HG GLU 88 1HG GLU 88 106.945 4.055 4.055 641 H GLY 89 H GLY 89 107.456 -0.929 -0.929 642 1HA GLY 89 2HA GLY 89 106.052 -2.744 -2.744 643 2HA GLY 89 1HA GLY 89 104.752 -1.595 -1.595 644 H PHE 90 H PHE 90 106.681 -2.637 -2.637 645 HA PHE 90 HA PHE 90 104.092 -3.019 -3.019 646 1HB PHE 90 2HB PHE 90 105.602 -0.824 -0.824 647 2HB PHE 90 1HB PHE 90 106.455 -1.895 -1.895 648 HD1 PHE 90 HD1 PHE 90 104.781 -3.396 -3.396 649 HD2 PHE 90 HD2 PHE 90 103.842 0.406 0.406 650 HE1 PHE 90 HE1 PHE 90 102.983 -3.072 -3.072 651 HE2 PHE 90 HE2 PHE 90 102.038 0.726 0.726 652 HZ PHE 90 HZ PHE 90 101.620 -1.013 -1.013 653 H LEU 91 H LEU 91 104.491 -5.332 -5.332 654 HA LEU 91 HA LEU 91 106.871 -6.722 -6.722 655 1HB LEU 91 2HB LEU 91 104.237 -7.250 -7.250 656 2HB LEU 91 1HB LEU 91 104.479 -8.252 -8.252 657 HG LEU 91 HG LEU 91 105.196 -9.373 -9.373 658 1HD1 LEU 91 2HD1 LEU 91 106.704 -9.041 -9.041 659 2HD1 LEU 91 1HD1 LEU 91 107.797 -9.334 -9.334 660 3HD1 LEU 91 3HD1 LEU 91 106.510 -10.483 -10.483 661 1HD2 LEU 91 1HD2 LEU 91 106.402 -6.834 -6.834 662 2HD2 LEU 91 3HD2 LEU 91 106.444 -8.246 -8.246 663 3HD2 LEU 91 2HD2 LEU 91 107.712 -8.005 -8.005 664 H ASP 92 H ASP 92 104.021 -5.885 -5.885 665 HA ASP 92 HA ASP 92 104.471 -7.320 -7.320 666 1HB ASP 92 2HB ASP 92 103.201 -4.844 -4.844 667 2HB ASP 92 1HB ASP 92 103.835 -4.701 -4.701 668 H THR 93 H THR 93 106.200 -4.425 -4.425 669 HA THR 93 HA THR 93 107.831 -4.138 -4.138 670 HB THR 93 HB THR 93 107.915 -3.085 -3.085 671 HG1 THR 93 HG1 THR 93 106.389 -2.051 -2.051 672 1HG2 THR 93 3HG2 THR 93 109.906 -2.808 -2.808 673 2HG2 THR 93 2HG2 THR 93 109.610 -1.424 -1.424 674 3HG2 THR 93 1HG2 THR 93 110.182 -2.944 -2.944 675 H LEU 94 H LEU 94 108.273 -5.563 -5.563 676 HA LEU 94 HA LEU 94 110.988 -6.380 -6.380 677 1HB LEU 94 2HB LEU 94 108.545 -7.230 -7.230 678 2HB LEU 94 1HB LEU 94 109.977 -8.256 -8.256 679 HG LEU 94 HG LEU 94 111.005 -5.692 -5.692 680 1HD1 LEU 94 2HD1 LEU 94 108.712 -4.826 -4.826 681 2HD1 LEU 94 1HD1 LEU 94 108.432 -5.983 -5.983 682 3HD1 LEU 94 3HD1 LEU 94 109.624 -4.701 -4.701 683 1HD2 LEU 94 1HD2 LEU 94 110.209 -7.833 -7.833 684 2HD2 LEU 94 3HD2 LEU 94 111.789 -7.595 -7.595 685 3HD2 LEU 94 2HD2 LEU 94 111.186 -6.431 -6.431 686 H VAL 95 H VAL 95 107.974 -7.910 -7.910 687 HA VAL 95 HA VAL 95 109.005 -10.443 -10.443 688 HB VAL 95 HB VAL 95 106.786 -8.718 -8.718 689 1HG1 VAL 95 1HG1 VAL 95 107.799 -11.064 -11.064 690 2HG1 VAL 95 3HG1 VAL 95 106.506 -11.649 -11.649 691 3HG1 VAL 95 2HG1 VAL 95 106.146 -10.497 -10.497 692 1HG2 VAL 95 1HG2 VAL 95 107.089 -10.165 -10.165 693 2HG2 VAL 95 3HG2 VAL 95 105.869 -8.985 -8.985 694 3HG2 VAL 95 2HG2 VAL 95 105.668 -10.684 -10.684 695 H VAL 96 H VAL 96 108.601 -7.382 -7.382 696 HA VAL 96 HA VAL 96 109.593 -8.220 -8.220 697 HB VAL 96 HB VAL 96 109.948 -5.491 -5.491 698 1HG1 VAL 96 3HG1 VAL 96 110.801 -6.142 -6.142 699 2HG1 VAL 96 2HG1 VAL 96 109.097 -6.137 -6.137 700 3HG1 VAL 96 1HG1 VAL 96 109.851 -4.667 -4.667 701 1HG2 VAL 96 3HG2 VAL 96 107.479 -6.995 -6.995 702 2HG2 VAL 96 2HG2 VAL 96 107.715 -5.514 -5.514 703 3HG2 VAL 96 1HG2 VAL 96 107.522 -5.436 -5.436 704 H LEU 97 H LEU 97 111.285 -6.608 -6.608 705 HA LEU 97 HA LEU 97 113.887 -6.442 -6.442 706 1HB LEU 97 2HB LEU 97 112.660 -6.987 -6.987 707 2HB LEU 97 1HB LEU 97 114.416 -6.980 -6.980 708 HG LEU 97 HG LEU 97 113.130 -4.688 -4.688 709 1HD1 LEU 97 2HD1 LEU 97 111.628 -5.103 -5.103 710 2HD1 LEU 97 1HD1 LEU 97 113.040 -4.779 -4.779 711 3HD1 LEU 97 3HD1 LEU 97 112.404 -3.524 -3.524 712 1HD2 LEU 97 1HD2 LEU 97 115.398 -5.208 -5.208 713 2HD2 LEU 97 3HD2 LEU 97 115.460 -4.549 -4.549 714 3HD2 LEU 97 2HD2 LEU 97 114.858 -3.557 -3.557 715 H HIS 98 H HIS 98 112.348 -9.279 -9.279 716 HA HIS 98 HA HIS 98 114.713 -10.965 -10.965 717 1HB HIS 98 2HB HIS 98 112.942 -10.927 -10.927 718 2HB HIS 98 1HB HIS 98 111.969 -11.895 -11.895 719 HD1 HIS 98 HD1 HIS 98 112.290 -13.919 -13.919 720 HD2 HIS 98 HD2 HIS 98 115.781 -12.594 -12.594 721 HE1 HIS 98 HE1 HIS 98 114.029 -15.722 -15.722 722 H ARG 99 H ARG 99 111.457 -10.572 -10.572 723 HA ARG 99 HA ARG 99 111.417 -12.855 -12.855 724 1HB ARG 99 2HB ARG 99 109.410 -11.628 -11.628 725 2HB ARG 99 1HB ARG 99 110.173 -10.107 -10.107 726 1HG ARG 99 2HG ARG 99 110.217 -10.697 -10.697 727 2HG ARG 99 1HG ARG 99 109.907 -12.397 -12.397 728 1HD ARG 99 2HD ARG 99 107.746 -11.831 -11.831 729 2HD ARG 99 1HD ARG 99 107.696 -11.229 -11.229 730 HE ARG 99 HE ARG 99 108.853 -9.254 -9.254 731 1HH1 ARG 99 2HH1 ARG 99 106.410 -9.642 -9.642 732 2HH1 ARG 99 1HH1 ARG 99 105.216 -8.731 -8.731 733 1HH2 ARG 99 1HH2 ARG 99 107.090 -8.541 -8.541 734 2HH2 ARG 99 2HH2 ARG 99 105.596 -8.119 -8.119 735 H ALA 100 H ALA 100 113.375 -10.042 -10.042 736 HA ALA 100 HA ALA 100 114.121 -10.827 -10.827 737 1HB ALA 100 1HB ALA 100 113.048 -8.400 -8.400 738 2HB ALA 100 3HB ALA 100 114.659 -8.082 -8.082 739 3HB ALA 100 2HB ALA 100 113.417 -8.771 -8.771 740 H GLY 101 H GLY 101 115.565 -8.353 -8.353 741 1HA GLY 101 2HA GLY 101 117.801 -10.036 -10.036 742 2HA GLY 101 1HA GLY 101 118.217 -8.907 -8.907 743 H ALA 102 H ALA 102 117.801 -9.264 -9.264 744 HA ALA 102 HA ALA 102 118.619 -6.473 -6.473 745 1HB ALA 102 2HB ALA 102 115.963 -7.588 -7.588 746 2HB ALA 102 1HB ALA 102 116.651 -6.063 -6.063 747 3HB ALA 102 3HB ALA 102 116.195 -6.268 -6.268 748 H ARG 103 H ARG 103 120.160 -6.669 -6.669 749 HA ARG 103 HA ARG 103 120.438 -9.022 -9.022 750 1HB ARG 103 2HB ARG 103 122.277 -7.637 -7.637 751 2HB ARG 103 1HB ARG 103 121.761 -6.292 -6.292 752 1HG ARG 103 2HG ARG 103 122.134 -7.721 -7.721 753 2HG ARG 103 1HG ARG 103 122.770 -8.986 -8.986 754 1HD ARG 103 2HD ARG 103 124.659 -7.714 -7.714 755 2HD ARG 103 1HD ARG 103 123.896 -6.192 -6.192 756 HE ARG 103 HE ARG 103 124.436 -6.697 -6.697 757 1HH1 ARG 103 1HH2 ARG 103 126.219 -8.638 -8.638 758 2HH1 ARG 103 2HH2 ARG 103 126.411 -9.949 -9.949 759 1HH2 ARG 103 2HH1 ARG 103 124.097 -8.709 -8.709 760 2HH2 ARG 103 1HH1 ARG 103 125.215 -9.986 -9.986 761 H LEU 104 H LEU 104 118.742 -9.206 -9.206 762 HA LEU 104 HA LEU 104 117.997 -6.803 -6.803 763 1HB LEU 104 2HB LEU 104 116.834 -9.596 -9.596 764 2HB LEU 104 1HB LEU 104 116.060 -8.086 -8.086 765 HG LEU 104 HG LEU 104 116.753 -7.694 -7.694 766 1HD1 LEU 104 3HD1 LEU 104 117.074 -10.308 -10.308 767 2HD1 LEU 104 2HD1 LEU 104 115.311 -10.325 -10.325 768 3HD1 LEU 104 1HD1 LEU 104 116.210 -9.618 -9.618 769 1HD2 LEU 104 2HD2 LEU 104 114.317 -8.132 -8.132 770 2HD2 LEU 104 1HD2 LEU 104 114.685 -6.849 -6.849 771 3HD2 LEU 104 3HD2 LEU 104 114.118 -8.413 -8.413 772 H ASP 105 H ASP 105 120.539 -7.469 -7.469 773 HA ASP 105 HA ASP 105 120.146 -8.426 -8.426 774 1HB ASP 105 2HB ASP 105 122.031 -10.198 -10.198 775 2HB ASP 105 1HB ASP 105 120.344 -10.580 -10.580 776 H VAL 106 H VAL 106 121.050 -5.934 -5.934 777 HA VAL 106 HA VAL 106 124.015 -6.067 -6.067 778 HB VAL 106 HB VAL 106 122.822 -4.981 -4.981 779 1HG1 VAL 106 1HG1 VAL 106 122.317 -2.914 -2.914 780 2HG1 VAL 106 3HG1 VAL 106 122.328 -2.540 -2.540 781 3HG1 VAL 106 2HG1 VAL 106 121.140 -3.669 -3.669 782 1HG2 VAL 106 2HG2 VAL 106 125.243 -4.582 -4.582 783 2HG2 VAL 106 1HG2 VAL 106 124.772 -3.872 -3.872 784 3HG2 VAL 106 3HG2 VAL 106 124.602 -2.940 -2.940 785 H ARG 107 H ARG 107 124.523 -3.582 -3.582 786 HA ARG 107 HA ARG 107 122.904 -3.369 -3.369 787 1HB ARG 107 2HB ARG 107 125.887 -3.396 -3.396 788 2HB ARG 107 1HB ARG 107 125.204 -2.778 -2.778 789 1HG ARG 107 2HG ARG 107 124.141 -4.911 -4.911 790 2HG ARG 107 1HG ARG 107 124.649 -5.544 -5.544 791 1HD ARG 107 2HD ARG 107 127.045 -4.708 -4.708 792 2HD ARG 107 1HD ARG 107 126.190 -5.293 -5.293 793 HE ARG 107 HE ARG 107 125.683 -7.381 -7.381 794 1HH1 ARG 107 1HH2 ARG 107 128.636 -5.615 -5.615 795 2HH1 ARG 107 2HH2 ARG 107 129.484 -6.746 -6.746 796 1HH2 ARG 107 2HH1 ARG 107 126.714 -8.737 -8.737 797 2HH2 ARG 107 1HH1 ARG 107 128.406 -8.508 -8.508 798 H ASP 108 H ASP 108 122.353 -1.260 -1.260 799 HA ASP 108 HA ASP 108 122.779 0.864 0.864 800 1HB ASP 108 2HB ASP 108 121.382 0.437 0.437 801 2HB ASP 108 1HB ASP 108 121.679 2.101 2.101 802 H ALA 109 H ALA 109 125.316 0.244 0.244 803 HA ALA 109 HA ALA 109 127.369 1.111 1.111 804 1HB ALA 109 1HB ALA 109 125.515 3.468 3.468 805 2HB ALA 109 3HB ALA 109 127.274 3.568 3.568 806 3HB ALA 109 2HB ALA 109 126.473 3.131 3.131 807 H TRP 110 H TRP 110 125.110 2.697 2.697 808 HA TRP 110 HA TRP 110 126.671 2.553 2.553 809 1HB TRP 110 2HB TRP 110 123.674 2.170 2.170 810 2HB TRP 110 1HB TRP 110 124.500 2.690 2.690 811 HD1 TRP 110 HD1 TRP 110 122.462 4.663 4.663 812 HE1 TRP 110 HE1 TRP 110 123.076 6.936 6.936 813 HE3 TRP 110 HE3 TRP 110 127.255 3.691 3.691 814 HZ2 TRP 110 HZ2 TRP 110 125.295 8.177 8.177 815 HZ3 TRP 110 HZ3 TRP 110 128.581 5.432 5.432 816 HH2 TRP 110 HH2 TRP 110 127.614 7.675 7.675 817 H GLY 111 H GLY 111 124.285 0.112 0.112 818 1HA GLY 111 2HA GLY 111 125.548 -2.232 -2.232 819 2HA GLY 111 1HA GLY 111 125.208 -1.754 -1.754 820 H ARG 112 H ARG 112 122.701 -0.347 -0.347 821 HA ARG 112 HA ARG 112 120.734 -2.199 -2.199 822 1HB ARG 112 2HB ARG 112 120.901 0.261 0.261 823 2HB ARG 112 1HB ARG 112 119.395 -0.657 -0.657 824 1HG ARG 112 2HG ARG 112 118.906 -0.201 -0.201 825 2HG ARG 112 1HG ARG 112 120.603 -0.128 -0.128 826 1HD ARG 112 2HD ARG 112 120.046 2.136 2.136 827 2HD ARG 112 1HD ARG 112 120.578 2.029 2.029 828 HE ARG 112 HE ARG 112 118.337 2.397 2.397 829 1HH1 ARG 112 1HH2 ARG 112 118.415 2.294 2.294 830 2HH1 ARG 112 2HH2 ARG 112 116.761 1.816 1.816 831 1HH2 ARG 112 2HH1 ARG 112 116.247 1.249 1.249 832 2HH2 ARG 112 1HH1 ARG 112 115.529 1.227 1.227 833 H LEU 113 H LEU 113 119.056 -3.182 -3.182 834 HA LEU 113 HA LEU 113 120.307 -4.204 -4.204 835 1HB LEU 113 2HB LEU 113 118.922 -5.650 -5.650 836 2HB LEU 113 1HB LEU 113 119.118 -6.390 -6.390 837 HG LEU 113 HG LEU 113 121.336 -5.394 -5.394 838 1HD1 LEU 113 3HD1 LEU 113 120.434 -8.148 -8.148 839 2HD1 LEU 113 2HD1 LEU 113 121.987 -7.838 -7.838 840 3HD1 LEU 113 1HD1 LEU 113 120.486 -7.514 -7.514 841 1HD2 LEU 113 2HD2 LEU 113 121.272 -6.288 -6.288 842 2HD2 LEU 113 1HD2 LEU 113 122.216 -4.995 -4.995 843 3HD2 LEU 113 3HD2 LEU 113 122.682 -6.679 -6.679 844 HA PRO 114 HA PRO 114 116.446 -3.348 -3.348 845 1HB PRO 114 2HB PRO 114 115.995 -5.561 -5.561 846 2HB PRO 114 1HB PRO 114 117.232 -4.346 -4.346 847 1HG PRO 114 2HG PRO 114 117.540 -7.003 -7.003 848 2HG PRO 114 1HG PRO 114 118.556 -6.227 -6.227 849 1HD PRO 114 2HD PRO 114 119.217 -6.273 -6.273 850 2HD PRO 114 1HD PRO 114 119.661 -4.929 -4.929 851 H VAL 115 H VAL 115 116.671 -6.670 -6.670 852 HA VAL 115 HA VAL 115 113.819 -7.028 -7.028 853 HB VAL 115 HB VAL 115 115.356 -8.900 -8.900 854 1HG1 VAL 115 3HG1 VAL 115 116.726 -7.576 -7.576 855 2HG1 VAL 115 2HG1 VAL 115 116.862 -9.322 -9.322 856 3HG1 VAL 115 1HG1 VAL 115 117.424 -8.245 -8.245 857 1HG2 VAL 115 1HG2 VAL 115 113.379 -8.745 -8.745 858 2HG2 VAL 115 3HG2 VAL 115 114.220 -10.226 -10.226 859 3HG2 VAL 115 2HG2 VAL 115 114.757 -9.307 -9.307 860 H ASP 116 H ASP 116 116.361 -5.577 -5.577 861 HA ASP 116 HA ASP 116 115.023 -5.710 -5.710 862 1HB ASP 116 2HB ASP 116 117.477 -5.019 -5.019 863 2HB ASP 116 1HB ASP 116 116.788 -3.410 -3.410 864 H LEU 117 H LEU 117 115.385 -2.923 -2.923 865 HA LEU 117 HA LEU 117 113.736 -1.048 -1.048 866 1HB LEU 117 2HB LEU 117 115.014 -1.398 -1.398 867 2HB LEU 117 1HB LEU 117 113.322 -1.339 -1.339 868 HG LEU 117 HG LEU 117 114.649 0.713 0.713 869 1HD1 LEU 117 2HD1 LEU 117 114.120 0.659 0.659 870 2HD1 LEU 117 1HD1 LEU 117 114.328 2.171 2.171 871 3HD1 LEU 117 3HD1 LEU 117 115.640 0.994 0.994 872 1HD2 LEU 117 1HD2 LEU 117 111.936 0.525 0.525 873 2HD2 LEU 117 3HD2 LEU 117 112.274 0.609 0.609 874 3HD2 LEU 117 2HD2 LEU 117 112.568 2.014 2.014 875 H ALA 118 H ALA 118 112.574 -3.308 -3.308 876 HA ALA 118 HA ALA 118 109.833 -2.829 -2.829 877 1HB ALA 118 2HB ALA 118 111.586 -4.682 -4.682 878 2HB ALA 118 1HB ALA 118 110.529 -5.678 -5.678 879 3HB ALA 118 3HB ALA 118 109.842 -4.653 -4.653 880 H GLU 119 H GLU 119 111.581 -5.263 -5.263 881 HA GLU 119 HA GLU 119 109.400 -6.103 -6.103 882 1HB GLU 119 2HB GLU 119 112.149 -6.544 -6.544 883 2HB GLU 119 1HB GLU 119 111.967 -5.898 -5.898 884 1HG GLU 119 2HG GLU 119 109.883 -7.844 -7.844 885 2HG GLU 119 1HG GLU 119 111.489 -8.540 -8.540 886 H GLU 120 H GLU 120 111.471 -3.263 -3.263 887 HA GLU 120 HA GLU 120 110.550 -2.430 -2.430 888 1HB GLU 120 2HB GLU 120 112.625 -1.856 -1.856 889 2HB GLU 120 1HB GLU 120 111.677 -0.371 -0.371 890 1HG GLU 120 2HG GLU 120 113.105 -0.049 -0.049 891 2HG GLU 120 1HG GLU 120 111.726 -0.803 -0.803 892 H LEU 121 H LEU 121 109.542 -1.909 -1.909 893 HA LEU 121 HA LEU 121 107.725 0.299 0.299 894 1HB LEU 121 2HB LEU 121 108.769 -0.998 -0.998 895 2HB LEU 121 1HB LEU 121 107.233 -0.144 -0.144 896 HG LEU 121 HG LEU 121 109.821 1.035 1.035 897 1HD1 LEU 121 2HD1 LEU 121 109.508 0.564 0.564 898 2HD1 LEU 121 1HD1 LEU 121 108.320 1.868 1.868 899 3HD1 LEU 121 3HD1 LEU 121 110.001 2.185 2.185 900 1HD2 LEU 121 3HD2 LEU 121 106.982 1.942 1.942 901 2HD2 LEU 121 2HD2 LEU 121 108.260 2.324 2.324 902 3HD2 LEU 121 1HD2 LEU 121 108.207 3.143 3.143 903 H GLY 122 H GLY 122 107.595 -3.034 -3.034 904 1HA GLY 122 2HA GLY 122 105.689 -4.330 -4.330 905 2HA GLY 122 1HA GLY 122 104.657 -2.991 -2.991 906 H HIS 123 H HIS 123 107.188 -4.056 -4.056 907 HA HIS 123 HA HIS 123 105.119 -4.931 -4.931 908 1HB HIS 123 2HB HIS 123 108.102 -4.387 -4.387 909 2HB HIS 123 1HB HIS 123 107.062 -4.755 -4.755 910 HD1 HIS 123 HD1 HIS 123 107.645 -2.335 -2.335 911 HD2 HIS 123 HD2 HIS 123 105.510 -2.346 -2.346 912 HE1 HIS 123 HE1 HIS 123 106.766 0.018 0.018 913 H ARG 124 H ARG 124 105.377 -6.781 -6.781 914 HA ARG 124 HA ARG 124 107.268 -8.800 -8.800 915 1HB ARG 124 2HB ARG 124 104.243 -8.871 -8.871 916 2HB ARG 124 1HB ARG 124 105.222 -10.305 -10.305 917 1HG ARG 124 2HG ARG 124 105.684 -7.713 -7.713 918 2HG ARG 124 1HG ARG 124 104.537 -8.922 -8.922 919 1HD ARG 124 2HD ARG 124 107.250 -9.914 -9.914 920 2HD ARG 124 1HD ARG 124 107.110 -8.976 -8.976 921 HE ARG 124 HE ARG 124 105.556 -11.459 -11.459 922 1HH1 ARG 124 2HH1 ARG 124 104.712 -9.092 -9.092 923 2HH1 ARG 124 1HH1 ARG 124 105.076 -9.852 -9.852 924 1HH2 ARG 124 1HH2 ARG 124 106.914 -12.422 -12.422 925 2HH2 ARG 124 2HH2 ARG 124 106.329 -11.733 -11.733 926 H ASP 125 H ASP 125 104.807 -8.150 -8.150 927 HA ASP 125 HA ASP 125 105.124 -10.539 -10.539 928 1HB ASP 125 2HB ASP 125 103.753 -7.987 -7.987 929 2HB ASP 125 1HB ASP 125 104.447 -8.314 -8.314 930 H VAL 126 H VAL 126 106.567 -7.273 -7.273 931 HA VAL 126 HA VAL 126 108.359 -8.100 -8.100 932 HB VAL 126 HB VAL 126 108.583 -5.552 -5.552 933 1HG1 VAL 126 2HG1 VAL 126 109.174 -6.512 -6.512 934 2HG1 VAL 126 1HG1 VAL 126 108.918 -4.795 -4.795 935 3HG1 VAL 126 3HG1 VAL 126 110.218 -5.646 -5.646 936 1HG2 VAL 126 2HG2 VAL 126 106.192 -6.472 -6.472 937 2HG2 VAL 126 1HG2 VAL 126 106.456 -4.952 -4.952 938 3HG2 VAL 126 3HG2 VAL 126 106.871 -5.092 -5.092 939 H ALA 127 H ALA 127 108.543 -7.537 -7.537 940 HA ALA 127 HA ALA 127 111.406 -7.684 -7.684 941 1HB ALA 127 3HB ALA 127 109.047 -7.496 -7.496 942 2HB ALA 127 2HB ALA 127 110.076 -8.771 -8.771 943 3HB ALA 127 1HB ALA 127 110.713 -7.141 -7.141 944 H ARG 128 H ARG 128 108.848 -10.139 -10.139 945 HA ARG 128 HA ARG 128 110.605 -12.374 -12.374 946 1HB ARG 128 2HB ARG 128 108.225 -12.317 -12.317 947 2HB ARG 128 1HB ARG 128 107.766 -12.159 -12.159 948 1HG ARG 128 2HG ARG 128 109.512 -14.466 -14.466 949 2HG ARG 128 1HG ARG 128 107.825 -14.538 -14.538 950 1HD ARG 128 2HD ARG 128 107.129 -14.036 -14.036 951 2HD ARG 128 1HD ARG 128 108.833 -14.158 -14.158 952 HE ARG 128 HE ARG 128 107.805 -16.437 -16.437 953 1HH1 ARG 128 2HH1 ARG 128 106.606 -15.800 -15.800 954 2HH1 ARG 128 1HH1 ARG 128 107.495 -16.962 -16.962 955 1HH2 ARG 128 1HH2 ARG 128 109.782 -17.613 -17.613 956 2HH2 ARG 128 2HH2 ARG 128 109.293 -17.993 -17.993 957 H TYR 129 H TYR 129 108.771 -11.320 -11.320 958 HA TYR 129 HA TYR 129 109.697 -13.213 -13.213 959 1HB TYR 129 2HB TYR 129 107.972 -11.501 -11.501 960 2HB TYR 129 1HB TYR 129 109.191 -10.231 -10.231 961 HD1 TYR 129 HD1 TYR 129 111.238 -10.437 -10.437 962 HD2 TYR 129 HD2 TYR 129 107.505 -12.485 -12.485 963 HE1 TYR 129 HE1 TYR 129 111.782 -10.756 -10.756 964 HE2 TYR 129 HE2 TYR 129 108.052 -12.802 -12.802 965 HH TYR 129 HH TYR 129 109.852 -11.264 -11.264 966 H LEU 130 H LEU 130 111.234 -10.219 -10.219 967 HA LEU 130 HA LEU 130 113.502 -10.285 -10.285 968 1HB LEU 130 2HB LEU 130 112.779 -9.030 -9.030 969 2HB LEU 130 1HB LEU 130 114.416 -8.854 -8.854 970 HG LEU 130 HG LEU 130 111.912 -8.185 -8.185 971 1HD1 LEU 130 1HD1 LEU 130 112.451 -6.759 -6.759 972 2HD1 LEU 130 3HD1 LEU 130 113.856 -6.204 -6.204 973 3HD1 LEU 130 2HD1 LEU 130 112.232 -5.918 -5.918 974 1HD2 LEU 130 1HD2 LEU 130 114.759 -8.397 -8.397 975 2HD2 LEU 130 3HD2 LEU 130 113.387 -8.231 -8.231 976 3HD2 LEU 130 2HD2 LEU 130 114.120 -6.797 -6.797 977 H ARG 131 H ARG 131 113.174 -11.265 -11.265 978 HA ARG 131 HA ARG 131 115.717 -12.330 -12.330 979 1HB ARG 131 2HB ARG 131 113.620 -12.056 -12.056 980 2HB ARG 131 1HB ARG 131 113.154 -13.649 -13.649 981 1HG ARG 131 2HG ARG 131 115.828 -13.972 -13.972 982 2HG ARG 131 1HG ARG 131 115.189 -12.927 -12.927 983 1HD ARG 131 2HD ARG 131 114.280 -14.772 -14.772 984 2HD ARG 131 1HD ARG 131 113.214 -14.921 -14.921 985 HE ARG 131 HE ARG 131 115.902 -15.918 -15.918 986 1HH1 ARG 131 1HH2 ARG 131 114.410 -17.184 -17.184 987 2HH1 ARG 131 2HH2 ARG 131 113.833 -18.639 -18.639 988 1HH2 ARG 131 2HH1 ARG 131 114.464 -17.558 -17.558 989 2HH2 ARG 131 1HH1 ARG 131 113.869 -18.852 -18.852 990 H ALA 132 H ALA 132 113.225 -13.623 -13.623 991 HA ALA 132 HA ALA 132 114.401 -16.321 -16.321 992 1HB ALA 132 2HB ALA 132 111.960 -14.919 -14.919 993 2HB ALA 132 1HB ALA 132 112.521 -16.088 -16.088 994 3HB ALA 132 3HB ALA 132 112.180 -16.608 -16.608 995 H ALA 133 H ALA 133 113.809 -13.725 -13.725 996 HA ALA 133 HA ALA 133 115.671 -14.977 -14.977 997 1HB ALA 133 3HB ALA 133 113.503 -13.836 -13.836 998 2HB ALA 133 2HB ALA 133 114.234 -12.308 -12.308 999 3HB ALA 133 1HB ALA 133 114.889 -13.199 -13.199 1000 H ALA 134 H ALA 134 115.950 -12.783 -12.783 1001 HA ALA 134 HA ALA 134 118.344 -11.420 -11.420 1002 1HB ALA 134 2HB ALA 134 116.422 -10.251 -10.251 1003 2HB ALA 134 1HB ALA 134 116.988 -11.050 -11.050 1004 3HB ALA 134 3HB ALA 134 118.034 -9.906 -9.906 1005 H GLY 135 H GLY 135 117.379 -13.877 -13.877 1006 1HA GLY 135 2HA GLY 135 119.782 -13.907 -13.907 1007 2HA GLY 135 1HA GLY 135 118.629 -15.238 -15.238 1008 H GLY 136 H GLY 136 121.667 -15.142 -15.142 1009 1HA GLY 136 2HA GLY 136 122.205 -15.995 -15.995 1010 2HA GLY 136 1HA GLY 136 123.394 -15.883 -15.883 1011 H THR 137 H THR 137 121.003 -17.454 -17.454 1012 HA THR 137 HA THR 137 122.051 -20.140 -20.140 1013 HB THR 137 HB THR 137 121.462 -20.733 -20.733 1014 HG1 THR 137 HG1 THR 137 121.175 -18.624 -18.624 1015 1HG2 THR 137 2HG2 THR 137 123.413 -18.621 -18.621 1016 2HG2 THR 137 1HG2 THR 137 123.153 -18.873 -18.873 1017 3HG2 THR 137 3HG2 THR 137 123.697 -20.208 -20.208 1018 H ARG 138 H ARG 138 120.111 -19.572 -19.572 1019 HA ARG 138 HA ARG 138 117.395 -19.903 -19.903 1020 1HB ARG 138 2HB ARG 138 118.003 -18.818 -18.818 1021 2HB ARG 138 1HB ARG 138 118.726 -20.315 -20.315 1022 1HG ARG 138 2HG ARG 138 115.919 -20.535 -20.535 1023 2HG ARG 138 1HG ARG 138 116.164 -19.582 -19.582 1024 1HD ARG 138 2HD ARG 138 117.559 -21.543 -21.543 1025 2HD ARG 138 1HD ARG 138 116.912 -22.484 -22.484 1026 HE ARG 138 HE ARG 138 115.446 -21.893 -21.893 1027 1HH1 ARG 138 1HH2 ARG 138 115.073 -23.025 -23.025 1028 2HH1 ARG 138 2HH2 ARG 138 113.403 -22.598 -22.598 1029 1HH2 ARG 138 2HH1 ARG 138 113.322 -20.751 -20.751 1030 2HH2 ARG 138 1HH1 ARG 138 112.411 -21.315 -21.315 1031 H GLY 139 H GLY 139 116.974 -21.806 -21.806 1032 1HA GLY 139 2HA GLY 139 116.192 -24.127 -24.127 1033 2HA GLY 139 1HA GLY 139 117.589 -24.356 -24.356 1034 H SER 140 H SER 140 116.558 -24.048 -24.048 1035 HA SER 140 HA SER 140 119.194 -24.356 -24.356 1036 1HB SER 140 2HB SER 140 116.820 -25.270 -25.270 1037 2HB SER 140 1HB SER 140 118.017 -24.053 -24.053 1038 HG SER 140 HG SER 140 116.330 -22.814 -22.814 1039 H ASN 141 H ASN 141 119.808 -26.235 -26.235 1040 HA ASN 141 HA ASN 141 119.702 -28.741 -28.741 1041 1HB ASN 141 2HB ASN 141 117.386 -28.150 -28.150 1042 2HB ASN 141 1HB ASN 141 118.278 -29.099 -29.099 1043 1HD2 ASN 141 1HD2 ASN 141 117.935 -31.313 -31.313 1044 2HD2 ASN 141 2HD2 ASN 141 117.510 -32.119 -32.119 1045 H HIS 142 H HIS 142 121.857 -27.351 -27.351 1046 HA HIS 142 HA HIS 142 122.927 -29.248 -29.248 1047 1HB HIS 142 2HB HIS 142 121.704 -26.790 -26.790 1048 2HB HIS 142 1HB HIS 142 123.438 -26.552 -26.552 1049 HD1 HIS 142 HD1 HIS 142 122.616 -26.484 -26.484 1050 HD2 HIS 142 HD2 HIS 142 122.579 -30.201 -30.201 1051 HE1 HIS 142 HE1 HIS 142 122.554 -28.223 -28.223 1052 H ALA 143 H ALA 143 125.261 -28.257 -28.257 1053 HA ALA 143 HA ALA 143 126.594 -27.624 -27.624 1054 1HB ALA 143 3HB ALA 143 127.541 -28.766 -28.766 1055 2HB ALA 143 2HB ALA 143 128.605 -28.458 -28.458 1056 3HB ALA 143 1HB ALA 143 127.313 -29.650 -29.650 1057 H ARG 144 H ARG 144 126.832 -25.423 -25.423 1058 HA ARG 144 HA ARG 144 128.437 -23.926 -23.926 1059 1HB ARG 144 2HB ARG 144 125.918 -24.270 -24.270 1060 2HB ARG 144 1HB ARG 144 125.636 -22.893 -22.893 1061 1HG ARG 144 2HG ARG 144 128.013 -22.557 -22.557 1062 2HG ARG 144 1HG ARG 144 126.530 -22.744 -22.744 1063 1HD ARG 144 2HD ARG 144 125.484 -20.888 -20.888 1064 2HD ARG 144 1HD ARG 144 126.780 -20.805 -20.805 1065 HE ARG 144 HE ARG 144 128.069 -20.585 -20.585 1066 1HH1 ARG 144 1HH2 ARG 144 126.266 -18.753 -18.753 1067 2HH1 ARG 144 2HH2 ARG 144 126.330 -17.287 -17.287 1068 1HH2 ARG 144 2HH1 ARG 144 127.862 -18.752 -18.752 1069 2HH2 ARG 144 1HH1 ARG 144 127.222 -17.289 -17.289 1070 H ILE 145 H ILE 145 129.325 -23.858 -23.858 1071 HA ILE 145 HA ILE 145 128.015 -22.448 -22.448 1072 HB ILE 145 HB ILE 145 130.209 -22.367 -22.367 1073 1HG1 ILE 145 2HG1 ILE 145 132.116 -23.078 -23.078 1074 2HG1 ILE 145 1HG1 ILE 145 131.041 -22.127 -22.127 1075 1HG2 ILE 145 3HG2 ILE 145 129.243 -24.723 -24.723 1076 2HG2 ILE 145 2HG2 ILE 145 130.996 -24.711 -24.711 1077 3HG2 ILE 145 1HG2 ILE 145 130.287 -24.608 -24.608 1078 1HD1 ILE 145 2HD1 ILE 145 131.980 -21.138 -21.138 1079 2HD1 ILE 145 1HD1 ILE 145 132.883 -20.824 -20.824 1080 3HD1 ILE 145 3HD1 ILE 145 131.242 -20.205 -20.205 1081 H ASP 146 H ASP 146 128.155 -20.226 -20.226 1082 HA ASP 146 HA ASP 146 129.655 -18.188 -18.188 1083 1HB ASP 146 2HB ASP 146 127.687 -19.235 -19.235 1084 2HB ASP 146 1HB ASP 146 127.000 -17.726 -17.726 1085 H ALA 147 H ALA 147 129.619 -17.347 -17.347 1086 HA ALA 147 HA ALA 147 127.282 -15.711 -15.711 1087 1HB ALA 147 1HB ALA 147 127.924 -18.311 -18.311 1088 2HB ALA 147 3HB ALA 147 127.185 -17.007 -17.007 1089 3HB ALA 147 2HB ALA 147 126.353 -17.666 -17.666 1090 H ALA 148 H ALA 148 129.208 -14.217 -14.217 1091 HA ALA 148 HA ALA 148 130.895 -12.881 -12.881 1092 1HB ALA 148 3HB ALA 148 128.926 -12.762 -12.762 1093 2HB ALA 148 2HB ALA 148 129.719 -14.024 -14.024 1094 3HB ALA 148 1HB ALA 148 130.497 -12.455 -12.455 1095 H GLU 149 H GLU 149 132.738 -13.071 -13.071 1096 HA GLU 149 HA GLU 149 133.838 -15.863 -15.863 1097 1HB GLU 149 2HB GLU 149 134.828 -13.941 -13.941 1098 2HB GLU 149 1HB GLU 149 135.477 -13.333 -13.333 1099 1HG GLU 149 2HG GLU 149 136.584 -15.508 -15.508 1100 2HG GLU 149 1HG GLU 149 135.950 -16.103 -16.103 1101 H GLY 150 H GLY 150 132.945 -13.179 -13.179 1102 1HA GLY 150 2HA GLY 150 132.804 -14.002 -14.002 1103 2HA GLY 150 1HA GLY 150 134.547 -14.213 -14.213 1104 HA PRO 151 HA PRO 151 134.578 -10.010 -10.010 1105 1HB PRO 151 2HB PRO 151 137.297 -9.707 -9.707 1106 2HB PRO 151 1HB PRO 151 136.391 -10.592 -10.592 1107 1HG PRO 151 2HG PRO 151 137.992 -11.634 -11.634 1108 2HG PRO 151 1HG PRO 151 137.804 -12.275 -12.275 1109 1HD PRO 151 2HD PRO 151 136.511 -13.272 -13.272 1110 2HD PRO 151 1HD PRO 151 135.923 -13.443 -13.443 1111 H SER 152 H SER 152 134.769 -8.010 -8.010 1112 HA SER 152 HA SER 152 135.061 -8.050 -8.050 1113 1HB SER 152 2HB SER 152 135.019 -5.718 -5.718 1114 2HB SER 152 1HB SER 152 134.571 -5.681 -5.681 1115 HG SER 152 HG SER 152 133.237 -6.797 -6.797 1116 H ASP 153 H ASP 153 136.865 -7.621 -7.621 1117 HA ASP 153 HA ASP 153 139.483 -7.483 -7.483 1118 1HB ASP 153 2HB ASP 153 140.072 -6.778 -6.778 1119 2HB ASP 153 1HB ASP 153 139.270 -8.334 -8.334 1120 H ILE 154 H ILE 154 139.637 -5.740 -5.740 1121 HA ILE 154 HA ILE 154 139.197 -3.005 -3.005 1122 HB ILE 154 HB ILE 154 137.785 -3.606 -3.606 1123 1HG1 ILE 154 2HG1 ILE 154 139.987 -1.852 -1.852 1124 2HG1 ILE 154 1HG1 ILE 154 138.885 -1.293 -1.293 1125 1HG2 ILE 154 2HG2 ILE 154 140.249 -4.853 -4.853 1126 2HG2 ILE 154 1HG2 ILE 154 139.544 -3.826 -3.826 1127 3HG2 ILE 154 3HG2 ILE 154 138.591 -5.127 -5.127 1128 1HD1 ILE 154 1HD1 ILE 154 137.824 -2.523 -2.523 1129 2HD1 ILE 154 3HD1 ILE 154 138.247 -0.813 -0.813 1130 3HD1 ILE 154 2HD1 ILE 154 136.998 -1.454 -1.454 1131 HA PRO 155 HA PRO 155 143.750 -3.508 -3.508 1132 1HB PRO 155 2HB PRO 155 144.399 -2.297 -2.297 1133 2HB PRO 155 1HB PRO 155 144.032 -4.029 -4.029 1134 1HG PRO 155 2HG PRO 155 142.309 -1.796 -1.796 1135 2HG PRO 155 1HG PRO 155 142.436 -3.456 -3.456 1136 1HD PRO 155 2HD PRO 155 140.412 -2.573 -2.573 1137 2HD PRO 155 1HD PRO 155 140.955 -4.261 -4.261 1138 H ASP 156 HN ASP 156 145.241 -1.804 -1.804 1139 HA ASP 156 HA ASP 156 144.029 0.940 0.940 1140 1HB ASP 156 2HB ASP 156 144.909 -0.838 -0.838 1141 2HB ASP 156 1HB ASP 156 146.040 0.513 0.513 Start of MODEL 7 1 1H MET 1 3H MET 1 137.453 31.435 31.435 2 2H MET 1 2H MET 1 138.951 30.910 30.910 3 3H MET 1 1H MET 1 137.930 31.859 31.859 4 HA MET 1 HA MET 1 137.743 29.608 29.608 5 1HB MET 1 2HB MET 1 138.675 28.819 28.819 6 2HB MET 1 1HB MET 1 137.040 28.969 28.969 7 1HG MET 1 2HG MET 1 136.199 27.365 27.365 8 2HG MET 1 1HG MET 1 137.782 27.279 27.279 9 1HE MET 1 2HE MET 1 136.877 24.914 24.914 10 2HE MET 1 1HE MET 1 138.601 24.618 24.618 11 3HE MET 1 3HE MET 1 137.433 23.828 23.828 12 H GLU 2 H GLU 2 135.730 28.977 28.977 13 HA GLU 2 HA GLU 2 133.348 30.440 30.440 14 1HB GLU 2 2HB GLU 2 133.825 29.192 29.192 15 2HB GLU 2 1HB GLU 2 132.518 30.288 30.288 16 1HG GLU 2 2HG GLU 2 135.142 31.416 31.416 17 2HG GLU 2 1HG GLU 2 134.979 31.028 31.028 18 HA PRO 3 HA PRO 3 131.619 26.505 26.505 19 1HB PRO 3 2HB PRO 3 128.967 27.168 27.168 20 2HB PRO 3 1HB PRO 3 130.111 27.672 27.672 21 1HG PRO 3 2HG PRO 3 128.994 29.227 29.227 22 2HG PRO 3 1HG PRO 3 129.380 29.747 29.747 23 1HD PRO 3 2HD PRO 3 130.957 30.250 30.250 24 2HD PRO 3 1HD PRO 3 131.549 30.203 30.203 25 H ALA 4 H ALA 4 132.174 25.475 25.475 26 HA ALA 4 HA ALA 4 129.889 25.370 25.370 27 1HB ALA 4 3HB ALA 4 132.858 25.480 25.480 28 2HB ALA 4 2HB ALA 4 132.021 24.480 24.480 29 3HB ALA 4 1HB ALA 4 131.635 26.196 26.196 30 H ALA 5 H ALA 5 129.351 23.690 23.690 31 HA ALA 5 HA ALA 5 129.854 21.026 21.026 32 1HB ALA 5 1HB ALA 5 131.881 21.503 21.503 33 2HB ALA 5 3HB ALA 5 130.874 21.833 21.833 34 3HB ALA 5 2HB ALA 5 130.939 20.205 20.205 35 H GLY 6 H GLY 6 127.388 21.807 21.807 36 1HA GLY 6 2HA GLY 6 125.481 20.488 20.488 37 2HA GLY 6 1HA GLY 6 126.173 20.789 20.789 38 H SER 7 H SER 7 123.559 21.594 21.594 39 HA SER 7 HA SER 7 123.660 24.493 24.493 40 1HB SER 7 2HB SER 7 122.341 24.963 24.963 41 2HB SER 7 1HB SER 7 123.487 23.755 23.755 42 HG SER 7 HG SER 7 121.930 22.244 22.244 43 H SER 8 H SER 8 122.770 21.857 21.857 44 HA SER 8 HA SER 8 120.308 22.980 22.980 45 1HB SER 8 2HB SER 8 120.359 20.938 20.938 46 2HB SER 8 1HB SER 8 119.581 20.337 20.337 47 HG SER 8 HG SER 8 118.220 21.516 21.516 48 H MET 9 H MET 9 120.241 22.403 22.403 49 HA MET 9 HA MET 9 122.378 20.885 20.885 50 1HB MET 9 2HB MET 9 120.513 22.724 22.724 51 2HB MET 9 1HB MET 9 119.821 21.249 21.249 52 1HG MET 9 2HG MET 9 122.725 21.478 21.478 53 2HG MET 9 1HG MET 9 121.801 22.766 22.766 54 1HE MET 9 3HE MET 9 119.195 21.846 21.846 55 2HE MET 9 2HE MET 9 119.400 21.066 21.066 56 3HE MET 9 1HE MET 9 120.299 22.535 22.535 57 H GLU 10 H GLU 10 122.466 18.707 18.707 58 HA GLU 10 HA GLU 10 120.694 16.833 16.833 59 1HB GLU 10 2HB GLU 10 122.019 15.215 15.215 60 2HB GLU 10 1HB GLU 10 123.094 16.546 16.546 61 1HG GLU 10 2HG GLU 10 122.782 17.509 17.509 62 2HG GLU 10 1HG GLU 10 121.718 16.168 16.168 63 HA PRO 11 HA PRO 11 117.363 16.978 16.978 64 1HB PRO 11 2HB PRO 11 116.117 14.641 14.641 65 2HB PRO 11 1HB PRO 11 116.009 16.121 16.121 66 1HG PRO 11 2HG PRO 11 117.710 13.712 13.712 67 2HG PRO 11 1HG PRO 11 116.868 14.711 14.711 68 1HD PRO 11 2HD PRO 11 119.541 14.896 14.896 69 2HD PRO 11 1HD PRO 11 118.557 16.253 16.253 70 H SER 12 H SER 12 118.728 16.645 16.645 71 HA SER 12 HA SER 12 119.947 14.288 14.288 72 1HB SER 12 2HB SER 12 120.167 16.418 16.418 73 2HB SER 12 1HB SER 12 118.442 16.465 16.465 74 HG SER 12 HG SER 12 119.125 15.591 15.591 75 H ALA 13 H ALA 13 118.778 12.393 12.393 76 HA ALA 13 HA ALA 13 116.052 11.858 11.858 77 1HB ALA 13 3HB ALA 13 118.450 10.476 10.476 78 2HB ALA 13 2HB ALA 13 117.716 9.655 9.655 79 3HB ALA 13 1HB ALA 13 116.816 9.825 9.825 80 H ASP 14 H ASP 14 115.136 12.793 12.793 81 HA ASP 14 HA ASP 14 115.835 11.437 11.437 82 1HB ASP 14 2HB ASP 14 115.442 13.737 13.737 83 2HB ASP 14 1HB ASP 14 116.915 13.569 13.569 84 H TRP 15 H TRP 15 113.405 12.645 12.645 85 HA TRP 15 HA TRP 15 111.163 13.063 13.063 86 1HB TRP 15 2HB TRP 15 111.595 11.864 11.864 87 2HB TRP 15 1HB TRP 15 109.969 12.027 12.027 88 HD1 TRP 15 HD1 TRP 15 111.192 14.861 14.861 89 HE1 TRP 15 HE1 TRP 15 111.070 16.993 16.993 90 HE3 TRP 15 HE3 TRP 15 110.631 12.765 12.765 91 HZ2 TRP 15 HZ2 TRP 15 110.776 17.713 17.713 92 HZ3 TRP 15 HZ3 TRP 15 110.432 14.195 14.195 93 HH2 TRP 15 HH2 TRP 15 110.504 16.664 16.664 94 H LEU 16 H LEU 16 112.205 9.921 9.921 95 HA LEU 16 HA LEU 16 110.252 8.247 8.247 96 1HB LEU 16 2HB LEU 16 112.049 6.508 6.508 97 2HB LEU 16 1HB LEU 16 111.928 7.507 7.507 98 HG LEU 16 HG LEU 16 113.713 8.912 8.912 99 1HD1 LEU 16 2HD1 LEU 16 113.649 6.595 6.595 100 2HD1 LEU 16 1HD1 LEU 16 114.736 6.099 6.099 101 3HD1 LEU 16 3HD1 LEU 16 115.175 7.447 7.447 102 1HD2 LEU 16 1HD2 LEU 16 114.265 6.879 6.879 103 2HD2 LEU 16 3HD2 LEU 16 113.878 8.582 8.582 104 3HD2 LEU 16 2HD2 LEU 16 115.392 8.125 8.125 105 H ALA 17 H ALA 17 112.992 9.822 9.822 106 HA ALA 17 HA ALA 17 112.801 8.239 8.239 107 1HB ALA 17 1HB ALA 17 114.709 9.780 9.780 108 2HB ALA 17 3HB ALA 17 114.205 10.824 10.824 109 3HB ALA 17 2HB ALA 17 114.827 9.210 9.210 110 H THR 18 H THR 18 111.976 11.543 11.543 111 HA THR 18 HA THR 18 110.887 12.445 12.445 112 HB THR 18 HB THR 18 109.609 13.798 13.798 113 HG1 THR 18 HG1 THR 18 111.827 14.033 14.033 114 1HG2 THR 18 3HG2 THR 18 111.129 14.488 14.488 115 2HG2 THR 18 2HG2 THR 18 112.371 14.587 14.587 116 3HG2 THR 18 1HG2 THR 18 110.916 15.576 15.576 117 H ALA 19 H ALA 19 109.369 11.017 11.017 118 HA ALA 19 HA ALA 19 106.654 11.124 11.124 119 1HB ALA 19 1HB ALA 19 108.313 9.384 9.384 120 2HB ALA 19 3HB ALA 19 106.613 8.995 8.995 121 3HB ALA 19 2HB ALA 19 107.063 10.553 10.553 122 H ALA 20 H ALA 20 109.124 8.581 8.581 123 HA ALA 20 HA ALA 20 107.542 6.685 6.685 124 1HB ALA 20 1HB ALA 20 110.246 7.130 7.130 125 2HB ALA 20 3HB ALA 20 110.260 6.825 6.825 126 3HB ALA 20 2HB ALA 20 109.552 5.643 5.643 127 H ALA 21 H ALA 21 109.525 9.394 9.394 128 HA ALA 21 HA ALA 21 109.095 8.963 8.963 129 1HB ALA 21 1HB ALA 21 110.502 10.684 10.684 130 2HB ALA 21 3HB ALA 21 109.378 11.752 11.752 131 3HB ALA 21 2HB ALA 21 110.494 10.746 10.746 132 H ARG 22 H ARG 22 107.162 10.590 10.590 133 HA ARG 22 HA ARG 22 105.282 11.613 11.613 134 1HB ARG 22 2HB ARG 22 105.392 11.942 11.942 135 2HB ARG 22 1HB ARG 22 104.345 12.843 12.843 136 1HG ARG 22 2HG ARG 22 107.224 12.896 12.896 137 2HG ARG 22 1HG ARG 22 106.800 13.714 13.714 138 1HD ARG 22 2HD ARG 22 104.921 14.858 14.858 139 2HD ARG 22 1HD ARG 22 105.813 14.307 14.307 140 HE ARG 22 HE ARG 22 107.843 15.407 15.407 141 1HH1 ARG 22 1HH2 ARG 22 105.005 16.479 16.479 142 2HH1 ARG 22 2HH2 ARG 22 105.195 18.143 18.143 143 1HH2 ARG 22 2HH1 ARG 22 107.933 17.549 17.549 144 2HH2 ARG 22 1HH1 ARG 22 106.858 18.750 18.750 145 H GLY 23 H GLY 23 105.606 8.658 8.658 146 1HA GLY 23 2HA GLY 23 104.214 6.845 6.845 147 2HA GLY 23 1HA GLY 23 102.970 7.792 7.792 148 H ARG 24 H ARG 24 104.717 7.935 7.935 149 HA ARG 24 HA ARG 24 102.060 8.394 8.394 150 1HB ARG 24 2HB ARG 24 104.195 10.132 10.132 151 2HB ARG 24 1HB ARG 24 104.463 9.444 9.444 152 1HG ARG 24 2HG ARG 24 103.028 11.167 11.167 153 2HG ARG 24 1HG ARG 24 101.853 9.892 9.892 154 1HD ARG 24 2HD ARG 24 102.505 11.157 11.157 155 2HD ARG 24 1HD ARG 24 102.056 12.405 12.405 156 HE ARG 24 HE ARG 24 100.266 10.154 10.154 157 1HH1 ARG 24 1HH2 ARG 24 99.356 12.989 12.989 158 2HH1 ARG 24 2HH2 ARG 24 98.519 13.150 13.150 159 1HH2 ARG 24 2HH1 ARG 24 99.936 10.308 10.308 160 2HH2 ARG 24 1HH1 ARG 24 98.849 11.633 11.633 161 H VAL 25 H VAL 25 102.396 5.864 5.864 162 HA VAL 25 HA VAL 25 104.303 4.537 4.537 163 HB VAL 25 HB VAL 25 101.321 4.034 4.034 164 1HG1 VAL 25 3HG1 VAL 25 103.596 2.444 2.444 165 2HG1 VAL 25 2HG1 VAL 25 102.356 1.585 1.585 166 3HG1 VAL 25 1HG1 VAL 25 101.913 2.511 2.511 167 1HG2 VAL 25 1HG2 VAL 25 103.380 4.084 4.084 168 2HG2 VAL 25 3HG2 VAL 25 101.752 3.435 3.435 169 3HG2 VAL 25 2HG2 VAL 25 103.064 2.378 2.378 170 H GLU 26 H GLU 26 101.062 5.596 5.596 171 HA GLU 26 HA GLU 26 101.165 5.081 5.081 172 1HB GLU 26 2HB GLU 26 99.969 7.138 7.138 173 2HB GLU 26 1HB GLU 26 99.995 7.548 7.548 174 1HG GLU 26 2HG GLU 26 99.141 4.992 4.992 175 2HG GLU 26 1HG GLU 26 98.490 5.411 5.411 176 H GLU 27 H GLU 27 102.653 7.892 7.892 177 HA GLU 27 HA GLU 27 103.597 9.181 9.181 178 1HB GLU 27 2HB GLU 27 103.422 9.734 9.734 179 2HB GLU 27 1HB GLU 27 105.153 9.444 9.444 180 1HG GLU 27 2HG GLU 27 104.661 11.819 11.819 181 2HG GLU 27 1HG GLU 27 105.224 11.078 11.078 182 H VAL 28 H VAL 28 105.207 6.970 6.970 183 HA VAL 28 HA VAL 28 107.724 6.910 6.910 184 HB VAL 28 HB VAL 28 106.510 4.868 4.868 185 1HG1 VAL 28 2HG1 VAL 28 108.769 4.574 4.574 186 2HG1 VAL 28 1HG1 VAL 28 109.406 5.606 5.606 187 3HG1 VAL 28 3HG1 VAL 28 108.659 4.061 4.061 188 1HG2 VAL 28 1HG2 VAL 28 107.946 7.485 7.485 189 2HG2 VAL 28 3HG2 VAL 28 106.350 7.004 7.004 190 3HG2 VAL 28 2HG2 VAL 28 107.789 6.219 6.219 191 H ARG 29 H ARG 29 104.873 4.748 4.748 192 HA ARG 29 HA ARG 29 105.850 2.600 2.600 193 1HB ARG 29 2HB ARG 29 103.154 3.999 3.999 194 2HB ARG 29 1HB ARG 29 103.469 2.359 2.359 195 1HG ARG 29 2HG ARG 29 104.027 3.216 3.216 196 2HG ARG 29 1HG ARG 29 102.462 2.590 2.590 197 1HD ARG 29 2HD ARG 29 105.007 1.063 1.063 198 2HD ARG 29 1HD ARG 29 104.150 0.877 0.877 199 HE ARG 29 HE ARG 29 103.292 -0.278 -0.278 200 1HH1 ARG 29 2HH1 ARG 29 102.211 -0.877 -0.877 201 2HH1 ARG 29 1HH1 ARG 29 100.554 -0.403 -0.403 202 1HH2 ARG 29 1HH2 ARG 29 101.102 1.418 1.418 203 2HH2 ARG 29 2HH2 ARG 29 99.926 0.897 0.897 204 H ALA 30 H ALA 30 104.483 5.682 5.682 205 HA ALA 30 HA ALA 30 104.982 5.032 5.032 206 1HB ALA 30 3HB ALA 30 103.659 7.029 7.029 207 2HB ALA 30 2HB ALA 30 104.651 7.821 7.821 208 3HB ALA 30 1HB ALA 30 103.416 6.658 6.658 209 H LEU 31 H LEU 31 106.515 7.141 7.141 210 HA LEU 31 HA LEU 31 108.507 8.321 8.321 211 1HB LEU 31 2HB LEU 31 108.111 7.692 7.692 212 2HB LEU 31 1HB LEU 31 109.719 8.209 8.209 213 HG LEU 31 HG LEU 31 107.444 9.791 9.791 214 1HD1 LEU 31 2HD1 LEU 31 107.573 9.207 9.207 215 2HD1 LEU 31 1HD1 LEU 31 108.151 10.861 10.861 216 3HD1 LEU 31 3HD1 LEU 31 106.558 10.402 10.402 217 1HD2 LEU 31 1HD2 LEU 31 110.001 10.152 10.152 218 2HD2 LEU 31 3HD2 LEU 31 109.011 11.556 11.556 219 3HD2 LEU 31 2HD2 LEU 31 109.953 10.761 10.761 220 H LEU 32 H LEU 32 108.825 5.412 5.412 221 HA LEU 32 HA LEU 32 111.447 4.682 4.682 222 1HB LEU 32 2HB LEU 32 108.979 3.296 3.296 223 2HB LEU 32 1HB LEU 32 110.312 2.286 2.286 224 HG LEU 32 HG LEU 32 110.582 4.484 4.484 225 1HD1 LEU 32 1HD1 LEU 32 110.366 1.476 1.476 226 2HD1 LEU 32 3HD1 LEU 32 110.924 2.541 2.541 227 3HD1 LEU 32 2HD1 LEU 32 109.282 2.691 2.691 228 1HD2 LEU 32 3HD2 LEU 32 112.508 3.296 3.296 229 2HD2 LEU 32 2HD2 LEU 32 112.813 4.121 4.121 230 3HD2 LEU 32 1HD2 LEU 32 112.604 2.371 2.371 231 H GLU 33 H GLU 33 108.379 3.804 3.804 232 HA GLU 33 HA GLU 33 109.653 2.229 2.229 233 1HB GLU 33 2HB GLU 33 106.970 3.553 3.553 234 2HB GLU 33 1HB GLU 33 107.345 2.687 2.687 235 1HG GLU 33 2HG GLU 33 107.625 0.627 0.627 236 2HG GLU 33 1HG GLU 33 107.764 1.415 1.415 237 H ALA 34 H ALA 34 109.350 5.625 5.625 238 HA ALA 34 HA ALA 34 109.564 6.369 6.369 239 1HB ALA 34 2HB ALA 34 108.458 7.540 7.540 240 2HB ALA 34 1HB ALA 34 110.067 8.252 8.252 241 3HB ALA 34 3HB ALA 34 109.109 8.492 8.492 242 H GLY 35 H GLY 35 111.720 5.378 5.378 243 1HA GLY 35 2HA GLY 35 114.066 5.015 5.015 244 2HA GLY 35 1HA GLY 35 113.989 6.654 6.654 245 H ALA 36 H ALA 36 112.527 6.031 6.031 246 HA ALA 36 HA ALA 36 114.073 8.027 8.027 247 1HB ALA 36 2HB ALA 36 111.788 6.705 6.705 248 2HB ALA 36 1HB ALA 36 112.861 5.743 5.743 249 3HB ALA 36 3HB ALA 36 112.701 7.477 7.477 250 H LEU 37 H LEU 37 116.044 7.888 7.888 251 HA LEU 37 HA LEU 37 117.611 5.422 5.422 252 1HB LEU 37 2HB LEU 37 118.362 7.855 7.855 253 2HB LEU 37 1HB LEU 37 118.331 7.981 7.981 254 HG LEU 37 HG LEU 37 119.750 5.711 5.711 255 1HD1 LEU 37 2HD1 LEU 37 119.532 6.360 6.360 256 2HD1 LEU 37 1HD1 LEU 37 121.034 7.188 7.188 257 3HD1 LEU 37 3HD1 LEU 37 120.885 5.449 5.449 258 1HD2 LEU 37 1HD2 LEU 37 120.310 8.522 8.522 259 2HD2 LEU 37 3HD2 LEU 37 121.082 7.119 7.119 260 3HD2 LEU 37 2HD2 LEU 37 121.676 7.742 7.742 261 HA PRO 38 HA PRO 38 116.214 4.162 4.162 262 1HB PRO 38 2HB PRO 38 117.474 1.732 1.732 263 2HB PRO 38 1HB PRO 38 115.938 2.027 2.027 264 1HG PRO 38 2HG PRO 38 118.705 1.907 1.907 265 2HG PRO 38 1HG PRO 38 117.190 1.303 1.303 266 1HD PRO 38 2HD PRO 38 118.381 3.619 3.619 267 2HD PRO 38 1HD PRO 38 116.627 3.339 3.339 268 H ASN 39 H ASN 39 119.572 3.735 3.735 269 HA ASN 39 HA ASN 39 120.611 3.963 3.963 270 1HB ASN 39 2HB ASN 39 121.484 3.029 3.029 271 2HB ASN 39 1HB ASN 39 122.742 3.898 3.898 272 1HD2 ASN 39 1HD2 ASN 39 120.134 1.601 1.601 273 2HD2 ASN 39 2HD2 ASN 39 121.175 0.586 0.586 274 H ALA 40 H ALA 40 119.294 6.291 6.291 275 HA ALA 40 HA ALA 40 121.286 8.236 8.236 276 1HB ALA 40 3HB ALA 40 118.807 8.087 8.087 277 2HB ALA 40 2HB ALA 40 118.469 8.681 8.681 278 3HB ALA 40 1HB ALA 40 119.376 9.680 9.680 279 HA PRO 41 HA PRO 41 122.351 8.963 8.963 280 1HB PRO 41 2HB PRO 41 124.353 10.763 10.763 281 2HB PRO 41 1HB PRO 41 124.571 9.008 9.008 282 1HG PRO 41 2HG PRO 41 124.119 11.053 11.053 283 2HG PRO 41 1HG PRO 41 125.157 9.619 9.619 284 1HD PRO 41 2HD PRO 41 122.716 9.738 9.738 285 2HD PRO 41 1HD PRO 41 123.451 8.232 8.232 286 H ASN 42 H ASN 42 120.422 10.120 10.120 287 HA ASN 42 HA ASN 42 119.955 12.861 12.861 288 1HB ASN 42 2HB ASN 42 118.686 10.777 10.777 289 2HB ASN 42 1HB ASN 42 118.339 12.432 12.432 290 1HD2 ASN 42 1HD2 ASN 42 116.070 11.620 11.620 291 2HD2 ASN 42 2HD2 ASN 42 115.726 11.904 11.904 292 H SER 43 H SER 43 119.463 14.488 14.488 293 HA SER 43 HA SER 43 122.016 14.746 14.746 294 1HB SER 43 2HB SER 43 121.308 16.718 16.718 295 2HB SER 43 1HB SER 43 119.627 16.477 16.477 296 HG SER 43 HG SER 43 121.410 17.935 17.935 297 H TYR 44 H TYR 44 119.755 12.773 12.773 298 HA TYR 44 HA TYR 44 119.228 13.752 13.752 299 1HB TYR 44 2HB TYR 44 117.553 12.830 12.830 300 2HB TYR 44 1HB TYR 44 117.713 11.440 11.440 301 HD1 TYR 44 HD1 TYR 44 117.937 12.543 12.543 302 HD2 TYR 44 HD2 TYR 44 115.521 13.902 13.902 303 HE1 TYR 44 HE1 TYR 44 116.349 13.579 13.579 304 HE2 TYR 44 HE2 TYR 44 113.935 14.942 14.942 305 HH TYR 44 HH TYR 44 113.518 14.240 14.240 306 H GLY 45 H GLY 45 120.807 11.307 11.307 307 1HA GLY 45 2HA GLY 45 122.108 9.459 9.459 308 2HA GLY 45 1HA GLY 45 122.227 10.216 10.216 309 H ARG 46 H ARG 46 119.225 9.216 9.216 310 HA ARG 46 HA ARG 46 118.876 7.149 7.149 311 1HB ARG 46 2HB ARG 46 116.935 9.130 9.130 312 2HB ARG 46 1HB ARG 46 116.431 7.812 7.812 313 1HG ARG 46 2HG ARG 46 118.083 8.718 8.718 314 2HG ARG 46 1HG ARG 46 118.235 10.142 10.142 315 1HD ARG 46 2HD ARG 46 116.054 10.848 10.848 316 2HD ARG 46 1HD ARG 46 115.487 9.209 9.209 317 HE ARG 46 HE ARG 46 117.114 10.915 10.915 318 1HH1 ARG 46 1HH2 ARG 46 114.380 9.040 9.040 319 2HH1 ARG 46 2HH2 ARG 46 114.680 8.102 8.102 320 1HH2 ARG 46 2HH1 ARG 46 117.899 9.313 9.313 321 2HH2 ARG 46 1HH1 ARG 46 116.674 8.256 8.256 322 H ARG 47 H ARG 47 119.880 6.836 6.836 323 HA ARG 47 HA ARG 47 119.517 5.463 5.463 324 1HB ARG 47 2HB ARG 47 117.633 3.948 3.948 325 2HB ARG 47 1HB ARG 47 118.751 3.308 3.308 326 1HG ARG 47 2HG ARG 47 119.601 4.696 4.696 327 2HG ARG 47 1HG ARG 47 119.536 2.947 2.947 328 1HD ARG 47 2HD ARG 47 121.304 2.949 2.949 329 2HD ARG 47 1HD ARG 47 121.113 4.681 4.681 330 HE ARG 47 HE ARG 47 122.089 3.641 3.641 331 1HH1 ARG 47 1HH2 ARG 47 124.193 4.568 4.568 332 2HH1 ARG 47 2HH2 ARG 47 124.354 6.246 6.246 333 1HH2 ARG 47 2HH1 ARG 47 121.316 6.409 6.409 334 2HH2 ARG 47 1HH1 ARG 47 122.724 7.287 7.287 335 HA PRO 48 HA PRO 48 115.641 6.362 6.362 336 1HB PRO 48 2HB PRO 48 115.077 4.158 4.158 337 2HB PRO 48 1HB PRO 48 116.389 5.283 5.283 338 1HG PRO 48 2HG PRO 48 116.512 2.597 2.597 339 2HG PRO 48 1HG PRO 48 117.668 3.404 3.404 340 1HD PRO 48 2HD PRO 48 117.907 3.140 3.140 341 2HD PRO 48 1HD PRO 48 118.804 4.295 4.295 342 H ILE 49 H ILE 49 115.830 3.478 3.478 343 HA ILE 49 HA ILE 49 112.847 3.351 3.351 344 HB ILE 49 HB ILE 49 115.089 1.388 1.388 345 1HG1 ILE 49 2HG1 ILE 49 112.873 1.647 1.647 346 2HG1 ILE 49 1HG1 ILE 49 114.607 1.518 1.518 347 1HG2 ILE 49 3HG2 ILE 49 113.257 1.191 1.191 348 2HG2 ILE 49 2HG2 ILE 49 112.107 0.968 0.968 349 3HG2 ILE 49 1HG2 ILE 49 113.378 -0.223 -0.223 350 1HD1 ILE 49 2HD1 ILE 49 114.195 -0.799 -0.799 351 2HD1 ILE 49 1HD1 ILE 49 112.615 -0.611 -0.611 352 3HD1 ILE 49 3HD1 ILE 49 114.069 -0.675 -0.675 353 H GLN 50 H GLN 50 115.803 3.374 3.374 354 HA GLN 50 HA GLN 50 114.662 3.270 3.270 355 1HB GLN 50 2HB GLN 50 117.132 3.826 3.826 356 2HB GLN 50 1HB GLN 50 116.755 5.304 5.304 357 1HG GLN 50 2HG GLN 50 116.677 4.220 4.220 358 2HG GLN 50 1HG GLN 50 116.351 2.647 2.647 359 1HE2 GLN 50 1HE2 GLN 50 118.928 5.057 5.057 360 2HE2 GLN 50 2HE2 GLN 50 120.215 3.979 3.979 361 H VAL 51 H VAL 51 114.472 5.834 5.834 362 HA VAL 51 HA VAL 51 113.394 7.744 7.744 363 HB VAL 51 HB VAL 51 115.213 8.343 8.343 364 1HG1 VAL 51 2HG1 VAL 51 113.967 6.937 6.937 365 2HG1 VAL 51 1HG1 VAL 51 113.095 8.442 8.442 366 3HG1 VAL 51 3HG1 VAL 51 114.847 8.393 8.393 367 1HG2 VAL 51 1HG2 VAL 51 113.246 9.894 9.894 368 2HG2 VAL 51 3HG2 VAL 51 114.449 10.510 10.510 369 3HG2 VAL 51 2HG2 VAL 51 112.862 10.014 10.014 370 H MET 52 H MET 52 112.124 5.288 5.288 371 HA MET 52 HA MET 52 109.791 6.746 6.746 372 1HB MET 52 2HB MET 52 109.253 4.645 4.645 373 2HB MET 52 1HB MET 52 111.004 4.807 4.807 374 1HG MET 52 2HG MET 52 111.111 2.765 2.765 375 2HG MET 52 1HG MET 52 110.627 3.577 3.577 376 1HE MET 52 2HE MET 52 110.461 0.894 0.894 377 2HE MET 52 1HE MET 52 109.081 0.938 0.938 378 3HE MET 52 3HE MET 52 108.977 0.055 0.055 379 H MET 53 H MET 53 107.675 6.522 6.522 380 HA MET 53 HA MET 53 107.256 6.274 6.274 381 1HB MET 53 2HB MET 53 105.755 6.644 6.644 382 2HB MET 53 1HB MET 53 104.912 5.458 5.458 383 1HG MET 53 2HG MET 53 105.935 7.753 7.753 384 2HG MET 53 1HG MET 53 104.743 8.199 8.199 385 1HE MET 53 3HE MET 53 102.965 6.685 6.685 386 2HE MET 53 2HE MET 53 102.773 5.137 5.137 387 3HE MET 53 1HE MET 53 101.669 6.462 6.462 388 H MET 54 H MET 54 107.915 4.409 4.409 389 HA MET 54 HA MET 54 107.979 1.784 1.784 390 1HB MET 54 2HB MET 54 107.836 2.933 2.933 391 2HB MET 54 1HB MET 54 107.984 1.197 1.197 392 1HG MET 54 2HG MET 54 109.852 3.222 3.222 393 2HG MET 54 1HG MET 54 110.190 2.429 2.429 394 1HE MET 54 3HE MET 54 112.005 2.410 2.410 395 2HE MET 54 2HE MET 54 111.908 1.025 1.025 396 3HE MET 54 1HE MET 54 110.709 2.309 2.309 397 H GLY 55 H GLY 55 105.253 3.652 3.652 398 1HA GLY 55 2HA GLY 55 103.550 1.417 1.417 399 2HA GLY 55 1HA GLY 55 103.017 3.067 3.067 400 H SER 56 H SER 56 105.001 1.880 1.880 401 HA SER 56 HA SER 56 102.706 0.817 0.817 402 1HB SER 56 2HB SER 56 104.315 3.318 3.318 403 2HB SER 56 1HB SER 56 103.700 2.451 2.451 404 HG SER 56 HG SER 56 102.313 4.135 4.135 405 H ALA 57 H ALA 57 103.928 -1.234 -1.234 406 HA ALA 57 HA ALA 57 106.676 -1.528 -1.528 407 1HB ALA 57 1HB ALA 57 104.217 -3.239 -3.239 408 2HB ALA 57 3HB ALA 57 105.632 -3.880 -3.880 409 3HB ALA 57 2HB ALA 57 105.746 -3.415 -3.415 410 H ARG 58 H ARG 58 103.706 -1.210 -1.210 411 HA ARG 58 HA ARG 58 104.427 -2.175 -2.175 412 1HB ARG 58 2HB ARG 58 102.785 0.144 0.144 413 2HB ARG 58 1HB ARG 58 102.958 -0.128 -0.128 414 1HG ARG 58 2HG ARG 58 101.309 -1.650 -1.650 415 2HG ARG 58 1HG ARG 58 102.393 -2.659 -2.659 416 1HD ARG 58 2HD ARG 58 101.288 -0.577 -0.577 417 2HD ARG 58 1HD ARG 58 99.976 -1.463 -1.463 418 HE ARG 58 HE ARG 58 102.019 -2.654 -2.654 419 1HH1 ARG 58 2HH1 ARG 58 100.816 -3.926 -3.926 420 2HH1 ARG 58 1HH1 ARG 58 99.810 -5.131 -5.131 421 1HH2 ARG 58 1HH2 ARG 58 100.073 -3.798 -3.798 422 2HH2 ARG 58 2HH2 ARG 58 99.389 -5.060 -5.060 423 H VAL 59 H VAL 59 105.499 0.743 0.743 424 HA VAL 59 HA VAL 59 106.738 1.962 1.962 425 HB VAL 59 HB VAL 59 107.384 2.391 2.391 426 1HG1 VAL 59 1HG1 VAL 59 108.398 3.507 3.507 427 2HG1 VAL 59 3HG1 VAL 59 107.186 4.683 4.683 428 3HG1 VAL 59 2HG1 VAL 59 108.487 4.218 4.218 429 1HG2 VAL 59 3HG2 VAL 59 104.826 2.585 2.585 430 2HG2 VAL 59 2HG2 VAL 59 105.354 3.315 3.315 431 3HG2 VAL 59 1HG2 VAL 59 105.434 4.239 4.239 432 H ALA 60 H ALA 60 108.079 0.357 0.357 433 HA ALA 60 HA ALA 60 110.781 0.228 0.228 434 1HB ALA 60 3HB ALA 60 108.913 -1.113 -1.113 435 2HB ALA 60 2HB ALA 60 110.148 -2.231 -2.231 436 3HB ALA 60 1HB ALA 60 110.619 -0.748 -0.748 437 H GLU 61 H GLU 61 108.192 -2.119 -2.119 438 HA GLU 61 HA GLU 61 109.705 -3.983 -3.983 439 1HB GLU 61 2HB GLU 61 107.327 -4.166 -4.166 440 2HB GLU 61 1HB GLU 61 106.885 -2.959 -2.959 441 1HG GLU 61 2HG GLU 61 106.513 -4.801 -4.801 442 2HG GLU 61 1HG GLU 61 108.255 -4.705 -4.705 443 H LEU 62 H LEU 62 108.112 -0.978 -0.978 444 HA LEU 62 HA LEU 62 108.624 -1.035 -1.035 445 1HB LEU 62 2HB LEU 62 107.903 0.825 0.825 446 2HB LEU 62 1HB LEU 62 109.135 1.585 1.585 447 HG LEU 62 HG LEU 62 106.465 0.461 0.461 448 1HD1 LEU 62 1HD1 LEU 62 107.108 2.926 2.926 449 2HD1 LEU 62 3HD1 LEU 62 107.463 3.140 3.140 450 3HD1 LEU 62 2HD1 LEU 62 105.855 2.645 2.645 451 1HD2 LEU 62 1HD2 LEU 62 108.850 0.331 0.331 452 2HD2 LEU 62 3HD2 LEU 62 107.210 0.198 0.198 453 3HD2 LEU 62 2HD2 LEU 62 108.021 1.763 1.763 454 H LEU 63 H LEU 63 110.639 0.768 0.768 455 HA LEU 63 HA LEU 63 112.888 0.988 0.988 456 1HB LEU 63 2HB LEU 63 112.599 1.258 1.258 457 2HB LEU 63 1HB LEU 63 113.983 1.831 1.831 458 HG LEU 63 HG LEU 63 111.163 2.698 2.698 459 1HD1 LEU 63 2HD1 LEU 63 113.104 3.790 3.790 460 2HD1 LEU 63 1HD1 LEU 63 111.915 4.835 4.835 461 3HD1 LEU 63 3HD1 LEU 63 111.382 3.460 3.460 462 1HD2 LEU 63 2HD2 LEU 63 112.957 3.023 3.023 463 2HD2 LEU 63 1HD2 LEU 63 112.345 4.560 4.560 464 3HD2 LEU 63 3HD2 LEU 63 113.889 3.934 3.934 465 H LEU 64 H LEU 64 112.365 -1.062 -1.062 466 HA LEU 64 HA LEU 64 114.764 -2.429 -2.429 467 1HB LEU 64 2HB LEU 64 112.820 -2.713 -2.713 468 2HB LEU 64 1HB LEU 64 111.944 -3.531 -3.531 469 HG LEU 64 HG LEU 64 114.554 -4.743 -4.743 470 1HD1 LEU 64 1HD1 LEU 64 112.934 -4.054 -4.054 471 2HD1 LEU 64 3HD1 LEU 64 113.362 -5.761 -5.761 472 3HD1 LEU 64 2HD1 LEU 64 114.626 -4.532 -4.532 473 1HD2 LEU 64 2HD2 LEU 64 111.848 -5.463 -5.463 474 2HD2 LEU 64 1HD2 LEU 64 113.308 -6.438 -6.438 475 3HD2 LEU 64 3HD2 LEU 64 112.387 -6.467 -6.467 476 H LEU 65 H LEU 65 112.024 -3.877 -3.877 477 HA LEU 65 HA LEU 65 113.557 -5.798 -5.798 478 1HB LEU 65 2HB LEU 65 111.551 -6.242 -6.242 479 2HB LEU 65 1HB LEU 65 110.954 -5.269 -5.269 480 HG LEU 65 HG LEU 65 111.406 -3.261 -3.261 481 1HD1 LEU 65 3HD1 LEU 65 111.526 -5.722 -5.722 482 2HD1 LEU 65 2HD1 LEU 65 110.566 -4.387 -4.387 483 3HD1 LEU 65 1HD1 LEU 65 112.271 -4.146 -4.146 484 1HD2 LEU 65 1HD2 LEU 65 109.117 -5.149 -5.149 485 2HD2 LEU 65 3HD2 LEU 65 109.190 -3.419 -3.419 486 3HD2 LEU 65 2HD2 LEU 65 109.035 -3.998 -3.998 487 H HIS 66 H HIS 66 113.221 -2.373 -2.373 488 HA HIS 66 HA HIS 66 114.171 -2.393 -2.393 489 1HB HIS 66 2HB HIS 66 113.113 -0.609 -0.609 490 2HB HIS 66 1HB HIS 66 114.503 0.111 0.111 491 HD1 HIS 66 HD1 HIS 66 113.589 1.643 1.643 492 HD2 HIS 66 HD2 HIS 66 111.589 -2.013 -2.013 493 HE1 HIS 66 HE1 HIS 66 111.927 1.694 1.694 494 H GLY 67 H GLY 67 115.557 -1.658 -1.658 495 1HA GLY 67 2HA GLY 67 118.001 -2.680 -2.680 496 2HA GLY 67 1HA GLY 67 118.210 -1.369 -1.369 497 H ALA 68 H ALA 68 116.174 -1.173 -1.173 498 HA ALA 68 HA ALA 68 117.419 1.314 1.314 499 1HB ALA 68 3HB ALA 68 115.288 -0.510 -0.510 500 2HB ALA 68 2HB ALA 68 116.110 0.227 0.227 501 3HB ALA 68 1HB ALA 68 115.369 1.244 1.244 502 H GLU 69 H GLU 69 118.037 1.186 1.186 503 HA GLU 69 HA GLU 69 120.316 -0.756 -0.756 504 1HB GLU 69 2HB GLU 69 119.854 2.065 2.065 505 2HB GLU 69 1HB GLU 69 121.023 1.083 1.083 506 1HG GLU 69 2HG GLU 69 122.217 0.590 0.590 507 2HG GLU 69 1HG GLU 69 121.043 1.551 1.551 508 HA PRO 70 HA PRO 70 117.288 -1.941 -1.941 509 1HB PRO 70 2HB PRO 70 117.352 -4.626 -4.626 510 2HB PRO 70 1HB PRO 70 116.231 -3.504 -3.504 511 1HG PRO 70 2HG PRO 70 118.803 -4.633 -4.633 512 2HG PRO 70 1HG PRO 70 117.278 -4.373 -4.373 513 1HD PRO 70 2HD PRO 70 119.402 -2.708 -2.708 514 2HD PRO 70 1HD PRO 70 117.719 -2.156 -2.156 515 H ASN 71 H ASN 71 120.541 -2.536 -2.536 516 HA ASN 71 HA ASN 71 121.075 -3.999 -3.999 517 1HB ASN 71 2HB ASN 71 121.721 -4.751 -4.751 518 2HB ASN 71 1HB ASN 71 123.053 -3.618 -3.618 519 1HD2 ASN 71 1HD2 ASN 71 123.529 -6.435 -6.435 520 2HD2 ASN 71 2HD2 ASN 71 124.090 -7.005 -7.005 521 H CYS 72 H CYS 72 122.651 -1.543 -1.543 522 HA CYS 72 HA CYS 72 124.541 -0.524 -0.524 523 1HB CYS 72 2HB CYS 72 123.624 0.063 0.063 524 2HB CYS 72 1HB CYS 72 122.966 1.438 1.438 525 HG CYS 72 HG CYS 72 125.525 1.810 1.810 526 H ALA 73 H ALA 73 124.550 1.460 1.460 527 HA ALA 73 HA ALA 73 121.934 2.358 2.358 528 1HB ALA 73 3HB ALA 73 123.149 0.233 0.233 529 2HB ALA 73 2HB ALA 73 124.027 1.514 1.514 530 3HB ALA 73 1HB ALA 73 122.272 1.420 1.420 531 H ASP 74 H ASP 74 123.510 3.432 3.432 532 HA ASP 74 HA ASP 74 124.844 5.712 5.712 533 1HB ASP 74 2HB ASP 74 122.697 6.098 6.098 534 2HB ASP 74 1HB ASP 74 123.539 5.594 5.594 535 HA PRO 75 HA PRO 75 128.458 4.196 4.196 536 1HB PRO 75 2HB PRO 75 130.121 6.312 6.312 537 2HB PRO 75 1HB PRO 75 129.711 5.094 5.094 538 1HG PRO 75 2HG PRO 75 128.617 7.837 7.837 539 2HG PRO 75 1HG PRO 75 129.005 6.971 6.971 540 1HD PRO 75 2HD PRO 75 126.470 7.247 7.247 541 2HD PRO 75 1HD PRO 75 126.991 5.884 5.884 542 H ALA 76 H ALA 76 126.520 6.795 6.795 543 HA ALA 76 HA ALA 76 128.259 7.621 7.621 544 1HB ALA 76 2HB ALA 76 125.537 8.506 8.506 545 2HB ALA 76 1HB ALA 76 126.411 9.277 9.277 546 3HB ALA 76 3HB ALA 76 127.075 9.311 9.311 547 H THR 77 H THR 77 125.099 6.077 6.077 548 HA THR 77 HA THR 77 125.169 5.019 5.019 549 HB THR 77 HB THR 77 122.495 5.398 5.398 550 HG1 THR 77 HG1 THR 77 122.521 7.541 7.541 551 1HG2 THR 77 2HG2 THR 77 123.800 5.384 5.384 552 2HG2 THR 77 1HG2 THR 77 123.382 7.084 7.084 553 3HG2 THR 77 3HG2 THR 77 122.121 5.852 5.852 554 H LEU 78 H LEU 78 125.402 4.173 4.173 555 HA LEU 78 HA LEU 78 124.932 2.241 2.241 556 1HB LEU 78 2HB LEU 78 125.710 1.617 1.617 557 2HB LEU 78 1HB LEU 78 124.649 0.360 0.360 558 HG LEU 78 HG LEU 78 127.264 1.328 1.328 559 1HD1 LEU 78 2HD1 LEU 78 126.339 -0.970 -0.970 560 2HD1 LEU 78 1HD1 LEU 78 127.151 -1.454 -1.454 561 3HD1 LEU 78 3HD1 LEU 78 127.984 -0.425 -0.425 562 1HD2 LEU 78 1HD2 LEU 78 124.920 0.235 0.235 563 2HD2 LEU 78 3HD2 LEU 78 126.403 0.901 0.901 564 3HD2 LEU 78 2HD2 LEU 78 126.337 -0.795 -0.795 565 H THR 79 H THR 79 122.587 3.765 3.765 566 HA THR 79 HA THR 79 120.462 2.058 2.058 567 HB THR 79 HB THR 79 120.592 4.635 4.635 568 HG1 THR 79 HG1 THR 79 121.280 4.698 4.698 569 1HG2 THR 79 3HG2 THR 79 118.319 2.881 2.881 570 2HG2 THR 79 2HG2 THR 79 118.089 4.500 4.500 571 3HG2 THR 79 1HG2 THR 79 118.421 4.291 4.291 572 H ARG 80 H ARG 80 120.518 0.098 0.098 573 HA ARG 80 HA ARG 80 120.514 0.108 0.108 574 1HB ARG 80 2HB ARG 80 120.770 -1.725 -1.725 575 2HB ARG 80 1HB ARG 80 119.267 -2.195 -2.195 576 1HG ARG 80 2HG ARG 80 120.593 -3.283 -3.283 577 2HG ARG 80 1HG ARG 80 120.929 -1.685 -1.685 578 1HD ARG 80 2HD ARG 80 123.081 -1.763 -1.763 579 2HD ARG 80 1HD ARG 80 122.601 -2.257 -2.257 580 HE ARG 80 HE ARG 80 122.198 -4.578 -4.578 581 1HH1 ARG 80 2HH1 ARG 80 123.721 -2.906 -2.906 582 2HH1 ARG 80 1HH1 ARG 80 125.221 -3.770 -3.770 583 1HH2 ARG 80 1HH2 ARG 80 124.526 -5.431 -5.431 584 2HH2 ARG 80 2HH2 ARG 80 125.676 -5.195 -5.195 585 HA PRO 81 HA PRO 81 116.210 0.812 0.812 586 1HB PRO 81 2HB PRO 81 115.537 -0.943 -0.943 587 2HB PRO 81 1HB PRO 81 116.527 0.503 0.503 588 1HG PRO 81 2HG PRO 81 117.341 -2.333 -2.333 589 2HG PRO 81 1HG PRO 81 118.031 -1.034 -1.034 590 1HD PRO 81 2HD PRO 81 119.100 -1.981 -1.981 591 2HD PRO 81 1HD PRO 81 119.461 -0.397 -0.397 592 H VAL 82 H VAL 82 117.269 -2.036 -2.036 593 HA VAL 82 HA VAL 82 114.777 -3.537 -3.537 594 HB VAL 82 HB VAL 82 117.156 -3.670 -3.670 595 1HG1 VAL 82 2HG1 VAL 82 114.812 -5.067 -5.067 596 2HG1 VAL 82 1HG1 VAL 82 115.820 -6.104 -6.104 597 3HG1 VAL 82 3HG1 VAL 82 116.340 -5.690 -5.690 598 1HG2 VAL 82 3HG2 VAL 82 117.146 -4.030 -4.030 599 2HG2 VAL 82 2HG2 VAL 82 118.481 -4.259 -4.259 600 3HG2 VAL 82 1HG2 VAL 82 117.392 -5.599 -5.599 601 H HIS 83 H HIS 83 116.402 -1.153 -1.153 602 HA HIS 83 HA HIS 83 114.679 -1.433 -1.433 603 1HB HIS 83 2HB HIS 83 116.351 0.873 0.873 604 2HB HIS 83 1HB HIS 83 115.663 0.798 0.798 605 HD2 HIS 83 HD2 HIS 83 117.380 -0.446 -0.446 606 HE1 HIS 83 HE1 HIS 83 119.636 -2.671 -2.671 607 HE2 HIS 83 HE2 HIS 83 119.353 -2.088 -2.088 608 H ASP 84 H ASP 84 114.593 0.525 0.525 609 HA ASP 84 HA ASP 84 112.508 2.334 2.334 610 1HB ASP 84 2HB ASP 84 113.081 0.902 0.902 611 2HB ASP 84 1HB ASP 84 112.266 2.453 2.453 612 H ALA 85 H ALA 85 112.185 -0.827 -0.827 613 HA ALA 85 HA ALA 85 109.362 -0.907 -0.907 614 1HB ALA 85 1HB ALA 85 111.470 -2.478 -2.478 615 2HB ALA 85 3HB ALA 85 110.800 -3.433 -3.433 616 3HB ALA 85 2HB ALA 85 109.794 -3.019 -3.019 617 H ALA 86 H ALA 86 111.351 -2.643 -2.643 618 HA ALA 86 HA ALA 86 109.269 -3.361 -3.361 619 1HB ALA 86 1HB ALA 86 111.913 -3.818 -3.818 620 2HB ALA 86 3HB ALA 86 111.940 -2.621 -2.621 621 3HB ALA 86 2HB ALA 86 111.024 -4.113 -4.113 622 H ARG 87 H ARG 87 111.409 -0.474 -0.474 623 HA ARG 87 HA ARG 87 110.425 0.685 0.685 624 1HB ARG 87 2HB ARG 87 112.305 1.502 1.502 625 2HB ARG 87 1HB ARG 87 111.153 2.063 2.063 626 1HG ARG 87 2HG ARG 87 110.795 2.973 2.973 627 2HG ARG 87 1HG ARG 87 112.067 3.720 3.720 628 1HD ARG 87 2HD ARG 87 110.541 4.971 4.971 629 2HD ARG 87 1HD ARG 87 109.611 3.522 3.522 630 HE ARG 87 HE ARG 87 108.430 3.710 3.710 631 1HH1 ARG 87 2HH1 ARG 87 110.868 5.387 5.387 632 2HH1 ARG 87 1HH1 ARG 87 110.059 6.892 6.892 633 1HH2 ARG 87 1HH2 ARG 87 107.247 6.037 6.037 634 2HH2 ARG 87 2HH2 ARG 87 108.015 7.260 7.260 635 H GLU 88 H GLU 88 108.891 0.645 0.645 636 HA GLU 88 HA GLU 88 106.711 2.428 2.428 637 1HB GLU 88 2HB GLU 88 107.927 2.472 2.472 638 2HB GLU 88 1HB GLU 88 106.972 1.040 1.040 639 1HG GLU 88 2HG GLU 88 105.575 2.731 2.731 640 2HG GLU 88 1HG GLU 88 104.959 2.510 2.510 641 H GLY 89 H GLY 89 107.402 -0.868 -0.868 642 1HA GLY 89 2HA GLY 89 106.004 -2.611 -2.611 643 2HA GLY 89 1HA GLY 89 104.626 -1.518 -1.518 644 H PHE 90 H PHE 90 106.782 -1.909 -1.909 645 HA PHE 90 HA PHE 90 104.545 -3.152 -3.152 646 1HB PHE 90 2HB PHE 90 106.314 -1.074 -1.074 647 2HB PHE 90 1HB PHE 90 106.990 -2.392 -2.392 648 HD1 PHE 90 HD2 PHE 90 103.832 -0.530 -0.530 649 HD2 PHE 90 HD1 PHE 90 105.976 -3.059 -3.059 650 HE1 PHE 90 HE2 PHE 90 102.061 -0.198 -0.198 651 HE2 PHE 90 HE1 PHE 90 104.202 -2.733 -2.733 652 HZ PHE 90 HZ PHE 90 102.259 -1.297 -1.297 653 H LEU 91 H LEU 91 104.775 -5.135 -5.135 654 HA LEU 91 HA LEU 91 107.263 -6.683 -6.683 655 1HB LEU 91 2HB LEU 91 104.581 -7.103 -7.103 656 2HB LEU 91 1HB LEU 91 104.866 -8.210 -8.210 657 HG LEU 91 HG LEU 91 106.858 -8.027 -8.027 658 1HD1 LEU 91 1HD1 LEU 91 104.198 -9.440 -9.440 659 2HD1 LEU 91 3HD1 LEU 91 105.551 -10.082 -10.082 660 3HD1 LEU 91 2HD1 LEU 91 104.917 -8.478 -8.478 661 1HD2 LEU 91 1HD2 LEU 91 106.206 -9.811 -9.811 662 2HD2 LEU 91 3HD2 LEU 91 107.771 -9.434 -9.434 663 3HD2 LEU 91 2HD2 LEU 91 106.710 -10.618 -10.618 664 H ASP 92 H ASP 92 104.718 -6.096 -6.096 665 HA ASP 92 HA ASP 92 105.535 -7.813 -7.813 666 1HB ASP 92 2HB ASP 92 103.629 -5.937 -5.937 667 2HB ASP 92 1HB ASP 92 104.723 -5.035 -5.035 668 H THR 93 H THR 93 106.816 -4.657 -4.657 669 HA THR 93 HA THR 93 108.552 -4.197 -4.197 670 HB THR 93 HB THR 93 108.443 -3.399 -3.399 671 HG1 THR 93 HG1 THR 93 107.832 -2.313 -2.313 672 1HG2 THR 93 3HG2 THR 93 110.550 -2.611 -2.611 673 2HG2 THR 93 2HG2 THR 93 110.251 -1.725 -1.725 674 3HG2 THR 93 1HG2 THR 93 110.819 -3.394 -3.394 675 H LEU 94 H LEU 94 109.216 -5.748 -5.748 676 HA LEU 94 HA LEU 94 111.933 -6.441 -6.441 677 1HB LEU 94 2HB LEU 94 109.697 -7.717 -7.717 678 2HB LEU 94 1HB LEU 94 111.375 -8.246 -8.246 679 HG LEU 94 HG LEU 94 111.558 -5.483 -5.483 680 1HD1 LEU 94 2HD1 LEU 94 109.118 -6.522 -6.522 681 2HD1 LEU 94 1HD1 LEU 94 109.942 -5.021 -5.021 682 3HD1 LEU 94 3HD1 LEU 94 109.178 -5.197 -5.197 683 1HD2 LEU 94 1HD2 LEU 94 112.051 -7.853 -7.853 684 2HD2 LEU 94 3HD2 LEU 94 112.832 -6.279 -6.279 685 3HD2 LEU 94 2HD2 LEU 94 111.372 -6.618 -6.618 686 H VAL 95 H VAL 95 108.941 -8.279 -8.279 687 HA VAL 95 HA VAL 95 110.111 -10.644 -10.644 688 HB VAL 95 HB VAL 95 107.581 -9.118 -9.118 689 1HG1 VAL 95 2HG1 VAL 95 108.357 -10.790 -10.790 690 2HG1 VAL 95 1HG1 VAL 95 108.159 -12.043 -12.043 691 3HG1 VAL 95 3HG1 VAL 95 106.765 -11.105 -11.105 692 1HG2 VAL 95 2HG2 VAL 95 108.420 -10.814 -10.814 693 2HG2 VAL 95 1HG2 VAL 95 106.960 -9.837 -9.837 694 3HG2 VAL 95 3HG2 VAL 95 107.003 -11.476 -11.476 695 H VAL 96 H VAL 96 109.288 -7.576 -7.576 696 HA VAL 96 HA VAL 96 110.057 -8.275 -8.275 697 HB VAL 96 HB VAL 96 110.220 -5.614 -5.614 698 1HG1 VAL 96 2HG1 VAL 96 110.324 -6.458 -6.458 699 2HG1 VAL 96 1HG1 VAL 96 109.502 -4.948 -4.948 700 3HG1 VAL 96 3HG1 VAL 96 111.197 -5.166 -5.166 701 1HG2 VAL 96 1HG2 VAL 96 107.981 -7.243 -7.243 702 2HG2 VAL 96 3HG2 VAL 96 107.955 -5.506 -5.506 703 3HG2 VAL 96 2HG2 VAL 96 107.873 -6.115 -6.115 704 H LEU 97 H LEU 97 111.903 -6.775 -6.775 705 HA LEU 97 HA LEU 97 114.372 -6.384 -6.384 706 1HB LEU 97 2HB LEU 97 113.699 -7.077 -7.077 707 2HB LEU 97 1HB LEU 97 115.263 -6.457 -6.457 708 HG LEU 97 HG LEU 97 112.623 -5.036 -5.036 709 1HD1 LEU 97 2HD1 LEU 97 114.707 -4.853 -4.853 710 2HD1 LEU 97 1HD1 LEU 97 113.797 -3.416 -3.416 711 3HD1 LEU 97 3HD1 LEU 97 112.949 -4.832 -4.832 712 1HD2 LEU 97 2HD2 LEU 97 115.127 -4.752 -4.752 713 2HD2 LEU 97 1HD2 LEU 97 113.778 -3.620 -3.620 714 3HD2 LEU 97 3HD2 LEU 97 115.036 -3.429 -3.429 715 H HIS 98 H HIS 98 113.237 -9.230 -9.230 716 HA HIS 98 HA HIS 98 115.630 -10.793 -10.793 717 1HB HIS 98 2HB HIS 98 113.801 -10.819 -10.819 718 2HB HIS 98 1HB HIS 98 113.030 -11.982 -11.982 719 HD1 HIS 98 HD1 HIS 98 113.851 -13.355 -13.355 720 HD2 HIS 98 HD2 HIS 98 116.666 -12.573 -12.573 721 HE1 HIS 98 HE1 HIS 98 115.773 -14.958 -14.958 722 H ARG 99 H ARG 99 112.471 -10.270 -10.270 723 HA ARG 99 HA ARG 99 112.347 -12.611 -12.611 724 1HB ARG 99 2HB ARG 99 110.432 -11.159 -11.159 725 2HB ARG 99 1HB ARG 99 111.172 -9.831 -9.831 726 1HG ARG 99 2HG ARG 99 110.651 -10.733 -10.733 727 2HG ARG 99 1HG ARG 99 110.804 -12.394 -12.394 728 1HD ARG 99 2HD ARG 99 108.656 -12.205 -12.205 729 2HD ARG 99 1HD ARG 99 108.505 -10.516 -10.516 730 HE ARG 99 HE ARG 99 108.981 -12.093 -12.093 731 1HH1 ARG 99 1HH2 ARG 99 106.629 -10.188 -10.188 732 2HH1 ARG 99 2HH2 ARG 99 105.288 -11.250 -11.250 733 1HH2 ARG 99 2HH1 ARG 99 107.252 -14.102 -14.102 734 2HH2 ARG 99 1HH1 ARG 99 105.642 -13.470 -13.470 735 H ALA 100 H ALA 100 114.324 -9.833 -9.833 736 HA ALA 100 HA ALA 100 115.057 -10.483 -10.483 737 1HB ALA 100 2HB ALA 100 114.170 -8.041 -8.041 738 2HB ALA 100 1HB ALA 100 115.700 -7.817 -7.817 739 3HB ALA 100 3HB ALA 100 114.285 -8.397 -8.397 740 H GLY 101 H GLY 101 116.482 -8.306 -8.306 741 1HA GLY 101 2HA GLY 101 118.677 -10.034 -10.034 742 2HA GLY 101 1HA GLY 101 119.151 -8.902 -8.902 743 H ALA 102 H ALA 102 118.694 -9.290 -9.290 744 HA ALA 102 HA ALA 102 119.500 -6.461 -6.461 745 1HB ALA 102 3HB ALA 102 116.871 -7.156 -7.156 746 2HB ALA 102 2HB ALA 102 117.344 -7.470 -7.470 747 3HB ALA 102 1HB ALA 102 117.569 -5.865 -5.865 748 H ARG 103 H ARG 103 119.326 -6.420 -6.420 749 HA ARG 103 HA ARG 103 120.662 -8.865 -8.865 750 1HB ARG 103 2HB ARG 103 122.474 -7.572 -7.572 751 2HB ARG 103 1HB ARG 103 121.884 -6.097 -6.097 752 1HG ARG 103 2HG ARG 103 123.047 -6.557 -6.557 753 2HG ARG 103 1HG ARG 103 122.242 -8.114 -8.114 754 1HD ARG 103 2HD ARG 103 124.191 -8.249 -8.249 755 2HD ARG 103 1HD ARG 103 124.959 -7.672 -7.672 756 HE ARG 103 HE ARG 103 123.254 -9.770 -9.770 757 1HH1 ARG 103 2HH1 ARG 103 126.382 -9.485 -9.485 758 2HH1 ARG 103 1HH1 ARG 103 126.818 -10.991 -10.991 759 1HH2 ARG 103 1HH2 ARG 103 123.626 -11.630 -11.630 760 2HH2 ARG 103 2HH2 ARG 103 125.257 -12.204 -12.204 761 H LEU 104 H LEU 104 119.135 -9.163 -9.163 762 HA LEU 104 HA LEU 104 118.342 -6.865 -6.865 763 1HB LEU 104 2HB LEU 104 117.541 -9.798 -9.798 764 2HB LEU 104 1HB LEU 104 116.704 -8.456 -8.456 765 HG LEU 104 HG LEU 104 116.881 -7.684 -7.684 766 1HD1 LEU 104 2HD1 LEU 104 117.548 -10.102 -10.102 767 2HD1 LEU 104 1HD1 LEU 104 115.939 -10.557 -10.557 768 3HD1 LEU 104 3HD1 LEU 104 116.124 -9.552 -9.552 769 1HD2 LEU 104 2HD2 LEU 104 114.927 -8.096 -8.096 770 2HD2 LEU 104 1HD2 LEU 104 114.691 -7.319 -7.319 771 3HD2 LEU 104 3HD2 LEU 104 114.382 -9.046 -9.046 772 H ASP 105 H ASP 105 121.033 -8.624 -8.624 773 HA ASP 105 HA ASP 105 121.165 -9.316 -9.316 774 1HB ASP 105 2HB ASP 105 123.211 -9.927 -9.927 775 2HB ASP 105 1HB ASP 105 122.895 -10.808 -10.808 776 H VAL 106 H VAL 106 121.353 -6.502 -6.502 777 HA VAL 106 HA VAL 106 124.214 -5.875 -5.875 778 HB VAL 106 HB VAL 106 122.895 -5.107 -5.107 779 1HG1 VAL 106 3HG1 VAL 106 121.041 -4.282 -4.282 780 2HG1 VAL 106 2HG1 VAL 106 121.925 -2.784 -2.784 781 3HG1 VAL 106 1HG1 VAL 106 121.178 -3.640 -3.640 782 1HG2 VAL 106 1HG2 VAL 106 125.017 -4.047 -4.047 783 2HG2 VAL 106 3HG2 VAL 106 124.387 -3.399 -3.399 784 3HG2 VAL 106 2HG2 VAL 106 123.911 -2.674 -2.674 785 H ARG 107 H ARG 107 124.209 -3.484 -3.484 786 HA ARG 107 HA ARG 107 122.254 -3.431 -3.431 787 1HB ARG 107 2HB ARG 107 124.295 -2.952 -2.952 788 2HB ARG 107 1HB ARG 107 124.164 -4.604 -4.604 789 1HG ARG 107 2HG ARG 107 125.820 -4.238 -4.238 790 2HG ARG 107 1HG ARG 107 125.746 -2.488 -2.488 791 1HD ARG 107 2HD ARG 107 126.851 -2.576 -2.576 792 2HD ARG 107 1HD ARG 107 126.612 -4.331 -4.331 793 HE ARG 107 HE ARG 107 128.708 -3.028 -3.028 794 1HH1 ARG 107 1HH2 ARG 107 129.086 -5.705 -5.705 795 2HH1 ARG 107 2HH2 ARG 107 128.994 -6.752 -6.752 796 1HH2 ARG 107 2HH1 ARG 107 127.481 -4.387 -4.387 797 2HH2 ARG 107 1HH1 ARG 107 128.087 -6.007 -6.007 798 H ASP 108 H ASP 108 121.813 -1.306 -1.306 799 HA ASP 108 HA ASP 108 122.372 0.846 0.846 800 1HB ASP 108 2HB ASP 108 120.653 0.252 0.252 801 2HB ASP 108 1HB ASP 108 121.506 1.733 1.733 802 H ALA 109 H ALA 109 124.867 0.208 0.208 803 HA ALA 109 HA ALA 109 126.975 0.994 0.994 804 1HB ALA 109 1HB ALA 109 125.025 3.184 3.184 805 2HB ALA 109 3HB ALA 109 126.490 3.383 3.383 806 3HB ALA 109 2HB ALA 109 126.599 3.187 3.187 807 H TRP 110 H TRP 110 124.799 2.109 2.109 808 HA TRP 110 HA TRP 110 126.600 1.610 1.610 809 1HB TRP 110 2HB TRP 110 123.580 1.635 1.635 810 2HB TRP 110 1HB TRP 110 124.459 1.604 1.604 811 HD1 TRP 110 HD1 TRP 110 126.589 3.590 3.590 812 HE1 TRP 110 HE1 TRP 110 126.277 6.084 6.084 813 HE3 TRP 110 HE3 TRP 110 122.175 3.348 3.348 814 HZ2 TRP 110 HZ2 TRP 110 124.394 7.754 7.754 815 HZ3 TRP 110 HZ3 TRP 110 121.147 5.398 5.398 816 HH2 TRP 110 HH2 TRP 110 122.252 7.593 7.593 817 H GLY 111 H GLY 111 123.662 -0.384 -0.384 818 1HA GLY 111 2HA GLY 111 124.936 -2.881 -2.881 819 2HA GLY 111 1HA GLY 111 124.697 -2.593 -2.593 820 H ARG 112 H ARG 112 122.214 -1.069 -1.069 821 HA ARG 112 HA ARG 112 120.250 -3.030 -3.030 822 1HB ARG 112 2HB ARG 112 120.131 -0.235 -0.235 823 2HB ARG 112 1HB ARG 112 118.697 -1.151 -1.151 824 1HG ARG 112 2HG ARG 112 120.914 -0.883 -0.883 825 2HG ARG 112 1HG ARG 112 119.874 0.513 0.513 826 1HD ARG 112 2HD ARG 112 118.344 -1.978 -1.978 827 2HD ARG 112 1HD ARG 112 119.279 -1.574 -1.574 828 HE ARG 112 HE ARG 112 117.220 0.168 0.168 829 1HH1 ARG 112 2HH1 ARG 112 119.856 1.261 1.261 830 2HH1 ARG 112 1HH1 ARG 112 119.159 1.749 1.749 831 1HH2 ARG 112 1HH2 ARG 112 116.189 0.041 0.041 832 2HH2 ARG 112 2HH2 ARG 112 117.088 1.060 1.060 833 H LEU 113 H LEU 113 119.441 -4.546 -4.546 834 HA LEU 113 HA LEU 113 120.033 -4.395 -4.395 835 1HB LEU 113 2HB LEU 113 118.733 -6.383 -6.383 836 2HB LEU 113 1HB LEU 113 118.812 -6.662 -6.662 837 HG LEU 113 HG LEU 113 121.180 -6.192 -6.192 838 1HD1 LEU 113 1HD1 LEU 113 119.904 -8.447 -8.447 839 2HD1 LEU 113 3HD1 LEU 113 120.549 -8.683 -8.683 840 3HD1 LEU 113 2HD1 LEU 113 121.648 -8.501 -8.501 841 1HD2 LEU 113 1HD2 LEU 113 120.855 -6.374 -6.374 842 2HD2 LEU 113 3HD2 LEU 113 121.953 -5.364 -5.364 843 3HD2 LEU 113 2HD2 LEU 113 122.299 -7.080 -7.080 844 HA PRO 114 HA PRO 114 116.111 -2.947 -2.947 845 1HB PRO 114 2HB PRO 114 115.542 -4.613 -4.613 846 2HB PRO 114 1HB PRO 114 116.772 -3.334 -3.334 847 1HG PRO 114 2HG PRO 114 117.118 -6.258 -6.258 848 2HG PRO 114 1HG PRO 114 118.069 -5.169 -5.169 849 1HD PRO 114 2HD PRO 114 118.915 -5.924 -5.924 850 2HD PRO 114 1HD PRO 114 119.259 -4.310 -4.310 851 H VAL 115 H VAL 115 116.485 -6.287 -6.287 852 HA VAL 115 HA VAL 115 113.607 -6.883 -6.883 853 HB VAL 115 HB VAL 115 115.488 -8.515 -8.515 854 1HG1 VAL 115 3HG1 VAL 115 116.984 -7.617 -7.617 855 2HG1 VAL 115 2HG1 VAL 115 115.895 -8.327 -8.327 856 3HG1 VAL 115 1HG1 VAL 115 116.775 -9.366 -9.366 857 1HG2 VAL 115 3HG2 VAL 115 113.149 -9.144 -9.144 858 2HG2 VAL 115 2HG2 VAL 115 114.409 -10.336 -10.336 859 3HG2 VAL 115 1HG2 VAL 115 113.842 -9.293 -9.293 860 H ASP 116 H ASP 116 116.140 -6.047 -6.047 861 HA ASP 116 HA ASP 116 114.480 -6.373 -6.373 862 1HB ASP 116 2HB ASP 116 117.160 -5.891 -5.891 863 2HB ASP 116 1HB ASP 116 116.649 -4.420 -4.420 864 H LEU 117 H LEU 117 115.289 -3.635 -3.635 865 HA LEU 117 HA LEU 117 114.025 -1.581 -1.581 866 1HB LEU 117 2HB LEU 117 115.681 -1.182 -1.182 867 2HB LEU 117 1HB LEU 117 114.587 -1.859 -1.859 868 HG LEU 117 HG LEU 117 113.398 0.303 0.303 869 1HD1 LEU 117 2HD1 LEU 117 115.758 1.089 1.089 870 2HD1 LEU 117 1HD1 LEU 117 115.618 0.929 0.929 871 3HD1 LEU 117 3HD1 LEU 117 114.621 2.102 2.102 872 1HD2 LEU 117 1HD2 LEU 117 112.483 -0.847 -0.847 873 2HD2 LEU 117 3HD2 LEU 117 112.459 0.918 0.918 874 3HD2 LEU 117 2HD2 LEU 117 113.709 0.050 0.050 875 H ALA 118 H ALA 118 112.863 -3.642 -3.642 876 HA ALA 118 HA ALA 118 110.307 -2.475 -2.475 877 1HB ALA 118 3HB ALA 118 111.727 -4.430 -4.430 878 2HB ALA 118 2HB ALA 118 110.692 -5.441 -5.441 879 3HB ALA 118 1HB ALA 118 109.975 -4.354 -4.354 880 H GLU 119 H GLU 119 111.037 -5.419 -5.419 881 HA GLU 119 HA GLU 119 108.514 -5.768 -5.768 882 1HB GLU 119 2HB GLU 119 111.007 -6.918 -6.918 883 2HB GLU 119 1HB GLU 119 110.844 -6.252 -6.252 884 1HG GLU 119 2HG GLU 119 108.482 -7.687 -7.687 885 2HG GLU 119 1HG GLU 119 109.873 -8.669 -8.669 886 H GLU 120 H GLU 120 111.076 -3.498 -3.498 887 HA GLU 120 HA GLU 120 109.913 -2.717 -2.717 888 1HB GLU 120 2HB GLU 120 112.283 -2.299 -2.299 889 2HB GLU 120 1HB GLU 120 111.607 -0.711 -0.711 890 1HG GLU 120 2HG GLU 120 112.178 -0.860 -0.860 891 2HG GLU 120 1HG GLU 120 111.481 -2.473 -2.473 892 H LEU 121 H LEU 121 109.463 -1.771 -1.771 893 HA LEU 121 HA LEU 121 108.049 0.717 0.717 894 1HB LEU 121 2HB LEU 121 109.178 -0.617 -0.617 895 2HB LEU 121 1HB LEU 121 107.702 0.296 0.296 896 HG LEU 121 HG LEU 121 109.326 1.886 1.886 897 1HD1 LEU 121 2HD1 LEU 121 110.908 0.195 0.195 898 2HD1 LEU 121 1HD1 LEU 121 111.040 1.858 1.858 899 3HD1 LEU 121 3HD1 LEU 121 111.450 1.461 1.461 900 1HD2 LEU 121 1HD2 LEU 121 107.879 2.049 2.049 901 2HD2 LEU 121 3HD2 LEU 121 108.334 3.354 3.354 902 3HD2 LEU 121 2HD2 LEU 121 109.438 2.851 2.851 903 H GLY 122 H GLY 122 107.236 -2.548 -2.548 904 1HA GLY 122 2HA GLY 122 105.019 -3.346 -3.346 905 2HA GLY 122 1HA GLY 122 104.372 -1.856 -1.856 906 H HIS 123 H HIS 123 106.849 -3.278 -3.278 907 HA HIS 123 HA HIS 123 104.788 -4.102 -4.102 908 1HB HIS 123 2HB HIS 123 107.793 -3.708 -3.708 909 2HB HIS 123 1HB HIS 123 106.681 -3.916 -3.916 910 HD1 HIS 123 HD1 HIS 123 104.398 -2.072 -2.072 911 HD2 HIS 123 HD2 HIS 123 108.399 -1.004 -1.004 912 HE1 HIS 123 HE1 HIS 123 104.459 0.460 0.460 913 H ARG 124 H ARG 124 104.958 -5.869 -5.869 914 HA ARG 124 HA ARG 124 106.816 -7.941 -7.941 915 1HB ARG 124 2HB ARG 124 104.898 -9.312 -9.312 916 2HB ARG 124 1HB ARG 124 104.871 -7.699 -7.699 917 1HG ARG 124 2HG ARG 124 103.398 -7.176 -7.176 918 2HG ARG 124 1HG ARG 124 103.057 -8.901 -8.901 919 1HD ARG 124 2HD ARG 124 102.890 -7.735 -7.735 920 2HD ARG 124 1HD ARG 124 101.866 -6.815 -6.815 921 HE ARG 124 HE ARG 124 100.714 -8.897 -8.897 922 1HH1 ARG 124 1HH2 ARG 124 103.483 -9.846 -9.846 923 2HH1 ARG 124 2HH2 ARG 124 102.700 -11.002 -11.002 924 1HH2 ARG 124 2HH1 ARG 124 99.499 -10.088 -10.088 925 2HH2 ARG 124 1HH1 ARG 124 100.447 -11.141 -11.141 926 H ASP 125 H ASP 125 104.346 -7.297 -7.297 927 HA ASP 125 HA ASP 125 104.433 -9.834 -9.834 928 1HB ASP 125 2HB ASP 125 103.921 -7.073 -7.073 929 2HB ASP 125 1HB ASP 125 103.293 -8.608 -8.608 930 H VAL 126 H VAL 126 106.244 -6.790 -6.790 931 HA VAL 126 HA VAL 126 107.875 -7.866 -7.866 932 HB VAL 126 HB VAL 126 108.362 -5.359 -5.359 933 1HG1 VAL 126 2HG1 VAL 126 109.280 -6.527 -6.527 934 2HG1 VAL 126 1HG1 VAL 126 108.876 -4.812 -4.812 935 3HG1 VAL 126 3HG1 VAL 126 110.091 -5.393 -5.393 936 1HG2 VAL 126 1HG2 VAL 126 106.421 -5.790 -5.790 937 2HG2 VAL 126 3HG2 VAL 126 106.003 -5.313 -5.313 938 3HG2 VAL 126 2HG2 VAL 126 106.906 -4.209 -4.209 939 H ALA 127 H ALA 127 108.237 -7.222 -7.222 940 HA ALA 127 HA ALA 127 111.025 -7.791 -7.791 941 1HB ALA 127 2HB ALA 127 109.257 -6.814 -6.814 942 2HB ALA 127 1HB ALA 127 108.925 -8.498 -8.498 943 3HB ALA 127 3HB ALA 127 110.534 -7.829 -7.829 944 H ARG 128 H ARG 128 108.158 -9.916 -9.916 945 HA ARG 128 HA ARG 128 109.465 -12.358 -12.358 946 1HB ARG 128 2HB ARG 128 107.050 -12.035 -12.035 947 2HB ARG 128 1HB ARG 128 107.002 -11.704 -11.704 948 1HG ARG 128 2HG ARG 128 108.138 -14.122 -14.122 949 2HG ARG 128 1HG ARG 128 107.309 -14.311 -14.311 950 1HD ARG 128 2HD ARG 128 105.198 -13.464 -13.464 951 2HD ARG 128 1HD ARG 128 106.071 -13.654 -13.654 952 HE ARG 128 HE ARG 128 106.502 -16.065 -16.065 953 1HH1 ARG 128 2HH1 ARG 128 104.156 -14.582 -14.582 954 2HH1 ARG 128 1HH1 ARG 128 102.906 -15.735 -15.735 955 1HH2 ARG 128 1HH2 ARG 128 104.701 -17.383 -17.383 956 2HH2 ARG 128 2HH2 ARG 128 103.217 -17.323 -17.323 957 H TYR 129 H TYR 129 108.245 -11.496 -11.496 958 HA TYR 129 HA TYR 129 109.661 -13.407 -13.407 959 1HB TYR 129 2HB TYR 129 107.883 -11.900 -11.900 960 2HB TYR 129 1HB TYR 129 108.986 -10.531 -10.531 961 HD1 TYR 129 HD1 TYR 129 109.065 -14.022 -14.022 962 HD2 TYR 129 HD2 TYR 129 109.978 -9.866 -9.866 963 HE1 TYR 129 HE1 TYR 129 109.970 -14.545 -14.545 964 HE2 TYR 129 HE2 TYR 129 110.883 -10.390 -10.390 965 HH TYR 129 HH TYR 129 111.288 -13.705 -13.705 966 H LEU 130 H LEU 130 110.740 -10.175 -10.175 967 HA LEU 130 HA LEU 130 113.246 -10.066 -10.066 968 1HB LEU 130 2HB LEU 130 112.027 -8.960 -8.960 969 2HB LEU 130 1HB LEU 130 113.761 -8.744 -8.744 970 HG LEU 130 HG LEU 130 111.636 -7.986 -7.986 971 1HD1 LEU 130 3HD1 LEU 130 111.684 -6.637 -6.637 972 2HD1 LEU 130 2HD1 LEU 130 113.317 -6.146 -6.146 973 3HD1 LEU 130 1HD1 LEU 130 111.952 -5.717 -5.717 974 1HD2 LEU 130 1HD2 LEU 130 114.619 -7.983 -7.983 975 2HD2 LEU 130 3HD2 LEU 130 113.530 -8.208 -8.208 976 3HD2 LEU 130 2HD2 LEU 130 113.839 -6.588 -6.588 977 H ARG 131 H ARG 131 112.475 -11.302 -11.302 978 HA ARG 131 HA ARG 131 115.053 -12.191 -12.191 979 1HB ARG 131 2HB ARG 131 113.035 -12.023 -12.023 980 2HB ARG 131 1HB ARG 131 112.342 -13.413 -13.413 981 1HG ARG 131 2HG ARG 131 113.708 -14.904 -14.904 982 2HG ARG 131 1HG ARG 131 115.084 -13.799 -13.799 983 1HD ARG 131 2HD ARG 131 114.566 -13.810 -13.810 984 2HD ARG 131 1HD ARG 131 113.548 -12.460 -12.460 985 HE ARG 131 HE ARG 131 111.837 -14.481 -14.481 986 1HH1 ARG 131 1HH2 ARG 131 113.666 -13.442 -13.442 987 2HH1 ARG 131 2HH2 ARG 131 112.865 -14.494 -14.494 988 1HH2 ARG 131 2HH1 ARG 131 110.965 -16.078 -16.078 989 2HH2 ARG 131 1HH1 ARG 131 111.344 -15.983 -15.983 990 H ALA 132 H ALA 132 112.815 -13.556 -13.556 991 HA ALA 132 HA ALA 132 114.154 -16.185 -16.185 992 1HB ALA 132 3HB ALA 132 111.640 -14.998 -14.998 993 2HB ALA 132 2HB ALA 132 112.343 -15.854 -15.854 994 3HB ALA 132 1HB ALA 132 112.052 -16.708 -16.708 995 H ALA 133 H ALA 133 113.316 -13.868 -13.868 996 HA ALA 133 HA ALA 133 115.444 -14.819 -14.819 997 1HB ALA 133 2HB ALA 133 113.276 -12.779 -12.779 998 2HB ALA 133 1HB ALA 133 114.599 -12.508 -12.508 999 3HB ALA 133 3HB ALA 133 113.656 -13.995 -13.995 1000 H ALA 134 H ALA 134 115.477 -12.698 -12.698 1001 HA ALA 134 HA ALA 134 118.006 -11.428 -11.428 1002 1HB ALA 134 2HB ALA 134 115.707 -10.107 -10.107 1003 2HB ALA 134 1HB ALA 134 116.232 -10.066 -10.066 1004 3HB ALA 134 3HB ALA 134 117.247 -9.365 -9.365 1005 H GLY 135 H GLY 135 116.140 -12.413 -12.413 1006 1HA GLY 135 2HA GLY 135 118.393 -12.147 -12.147 1007 2HA GLY 135 1HA GLY 135 116.872 -12.967 -12.967 1008 H GLY 136 H GLY 136 119.720 -13.437 -13.437 1009 1HA GLY 136 2HA GLY 136 119.402 -16.272 -16.272 1010 2HA GLY 136 1HA GLY 136 120.899 -15.394 -15.394 1011 H THR 137 H THR 137 119.639 -17.746 -17.746 1012 HA THR 137 HA THR 137 120.956 -17.010 -17.010 1013 HB THR 137 HB THR 137 120.067 -19.226 -19.226 1014 HG1 THR 137 HG1 THR 137 118.651 -19.928 -19.928 1015 1HG2 THR 137 1HG2 THR 137 118.138 -17.563 -17.563 1016 2HG2 THR 137 3HG2 THR 137 117.675 -18.736 -18.736 1017 3HG2 THR 137 2HG2 THR 137 118.565 -17.282 -17.282 1018 H ARG 138 H ARG 138 123.203 -17.017 -17.017 1019 HA ARG 138 HA ARG 138 124.447 -19.606 -19.606 1020 1HB ARG 138 2HB ARG 138 126.056 -18.374 -18.374 1021 2HB ARG 138 1HB ARG 138 124.436 -17.880 -17.880 1022 1HG ARG 138 2HG ARG 138 124.948 -16.090 -16.090 1023 2HG ARG 138 1HG ARG 138 126.559 -16.313 -16.313 1024 1HD ARG 138 2HD ARG 138 125.982 -14.918 -14.918 1025 2HD ARG 138 1HD ARG 138 124.759 -16.098 -16.098 1026 HE ARG 138 HE ARG 138 123.195 -15.001 -15.001 1027 1HH1 ARG 138 1HH2 ARG 138 125.697 -13.457 -13.457 1028 2HH1 ARG 138 2HH2 ARG 138 125.295 -11.855 -11.855 1029 1HH2 ARG 138 2HH1 ARG 138 122.832 -12.907 -12.907 1030 2HH2 ARG 138 1HH1 ARG 138 123.670 -11.542 -11.542 1031 H GLY 139 H GLY 139 125.966 -20.274 -20.274 1032 1HA GLY 139 2HA GLY 139 127.999 -19.146 -19.146 1033 2HA GLY 139 1HA GLY 139 126.670 -18.439 -18.439 1034 H SER 140 H SER 140 128.407 -21.394 -21.394 1035 HA SER 140 HA SER 140 128.505 -23.432 -23.432 1036 1HB SER 140 2HB SER 140 128.027 -21.339 -21.339 1037 2HB SER 140 1HB SER 140 126.916 -22.625 -22.625 1038 HG SER 140 HG SER 140 129.681 -22.999 -22.999 1039 H ASN 141 H ASN 141 127.197 -25.296 -25.296 1040 HA ASN 141 HA ASN 141 124.654 -25.273 -25.273 1041 1HB ASN 141 2HB ASN 141 126.332 -27.208 -27.208 1042 2HB ASN 141 1HB ASN 141 124.679 -27.664 -27.664 1043 1HD2 ASN 141 1HD2 ASN 141 124.170 -27.984 -27.984 1044 2HD2 ASN 141 2HD2 ASN 141 125.378 -28.055 -28.055 1045 H HIS 142 H HIS 142 125.017 -26.643 -26.643 1046 HA HIS 142 HA HIS 142 123.543 -26.546 -26.546 1047 1HB HIS 142 2HB HIS 142 124.349 -23.942 -23.942 1048 2HB HIS 142 1HB HIS 142 122.678 -23.831 -23.831 1049 HD1 HIS 142 HD1 HIS 142 125.161 -26.264 -26.264 1050 HD2 HIS 142 HD2 HIS 142 123.287 -22.687 -22.687 1051 HE1 HIS 142 HE1 HIS 142 125.683 -25.867 -25.867 1052 H ALA 143 H ALA 143 121.161 -25.574 -25.574 1053 HA ALA 143 HA ALA 143 119.422 -26.175 -26.175 1054 1HB ALA 143 3HB ALA 143 119.766 -27.625 -27.625 1055 2HB ALA 143 2HB ALA 143 118.327 -26.667 -26.667 1056 3HB ALA 143 1HB ALA 143 118.359 -27.728 -27.728 1057 H ARG 144 H ARG 144 118.938 -23.996 -23.996 1058 HA ARG 144 HA ARG 144 118.474 -21.807 -21.807 1059 1HB ARG 144 2HB ARG 144 117.880 -22.677 -22.677 1060 2HB ARG 144 1HB ARG 144 116.568 -21.681 -21.681 1061 1HG ARG 144 2HG ARG 144 119.129 -20.545 -20.545 1062 2HG ARG 144 1HG ARG 144 119.041 -20.784 -20.784 1063 1HD ARG 144 2HD ARG 144 117.616 -19.037 -19.037 1064 2HD ARG 144 1HD ARG 144 116.532 -19.710 -19.710 1065 HE ARG 144 HE ARG 144 119.034 -18.286 -18.286 1066 1HH1 ARG 144 2HH1 ARG 144 116.064 -17.193 -17.193 1067 2HH1 ARG 144 1HH1 ARG 144 115.586 -16.773 -16.773 1068 1HH2 ARG 144 1HH2 ARG 144 118.228 -18.442 -18.442 1069 2HH2 ARG 144 2HH2 ARG 144 116.813 -17.477 -17.477 1070 H ILE 145 H ILE 145 116.897 -21.314 -21.314 1071 HA ILE 145 HA ILE 145 114.988 -21.620 -21.620 1072 HB ILE 145 HB ILE 145 113.776 -22.515 -22.515 1073 1HG1 ILE 145 2HG1 ILE 145 115.090 -20.435 -20.435 1074 2HG1 ILE 145 1HG1 ILE 145 113.359 -20.124 -20.124 1075 1HG2 ILE 145 2HG2 ILE 145 112.376 -22.711 -22.711 1076 2HG2 ILE 145 1HG2 ILE 145 112.601 -20.984 -20.984 1077 3HG2 ILE 145 3HG2 ILE 145 111.733 -21.538 -21.538 1078 1HD1 ILE 145 2HD1 ILE 145 114.971 -19.721 -19.721 1079 2HD1 ILE 145 1HD1 ILE 145 114.571 -18.431 -18.431 1080 3HD1 ILE 145 3HD1 ILE 145 113.287 -19.271 -19.271 1081 H ASP 146 H ASP 146 116.393 -23.575 -23.575 1082 HA ASP 146 HA ASP 146 116.194 -26.209 -26.209 1083 1HB ASP 146 2HB ASP 146 116.352 -24.778 -24.778 1084 2HB ASP 146 1HB ASP 146 116.189 -26.535 -26.535 1085 H ALA 147 H ALA 147 114.901 -28.000 -28.000 1086 HA ALA 147 HA ALA 147 112.214 -28.028 -28.028 1087 1HB ALA 147 3HB ALA 147 113.803 -29.370 -29.370 1088 2HB ALA 147 2HB ALA 147 112.120 -29.793 -29.793 1089 3HB ALA 147 1HB ALA 147 113.336 -30.033 -30.033 1090 H ALA 148 H ALA 148 110.826 -26.377 -26.377 1091 HA ALA 148 HA ALA 148 109.432 -25.075 -25.075 1092 1HB ALA 148 2HB ALA 148 109.564 -27.507 -27.507 1093 2HB ALA 148 1HB ALA 148 110.369 -26.598 -26.598 1094 3HB ALA 148 3HB ALA 148 108.726 -26.175 -26.175 1095 H GLU 149 H GLU 149 109.614 -23.296 -23.296 1096 HA GLU 149 HA GLU 149 112.233 -22.080 -22.080 1097 1HB GLU 149 2HB GLU 149 109.532 -21.357 -21.357 1098 2HB GLU 149 1HB GLU 149 110.214 -21.003 -21.003 1099 1HG GLU 149 2HG GLU 149 110.642 -19.024 -19.024 1100 2HG GLU 149 1HG GLU 149 112.158 -19.904 -19.904 1101 H GLY 150 H GLY 150 113.327 -21.451 -21.451 1102 1HA GLY 150 2HA GLY 150 114.128 -21.843 -21.843 1103 2HA GLY 150 1HA GLY 150 112.607 -22.665 -22.665 1104 HA PRO 151 HA PRO 151 116.137 -25.698 -25.698 1105 1HB PRO 151 2HB PRO 151 117.337 -26.018 -26.018 1106 2HB PRO 151 1HB PRO 151 117.880 -24.823 -24.823 1107 1HG PRO 151 2HG PRO 151 116.283 -24.441 -24.441 1108 2HG PRO 151 1HG PRO 151 117.475 -23.373 -23.373 1109 1HD PRO 151 2HD PRO 151 114.731 -23.065 -23.065 1110 2HD PRO 151 1HD PRO 151 115.910 -22.351 -22.351 1111 H SER 152 H SER 152 114.879 -27.522 -27.522 1112 HA SER 152 HA SER 152 113.570 -28.512 -28.512 1113 1HB SER 152 2HB SER 152 111.954 -27.819 -27.819 1114 2HB SER 152 1HB SER 152 112.814 -28.676 -28.676 1115 HG SER 152 HG SER 152 111.114 -29.620 -29.620 1116 H ASP 153 H ASP 153 116.239 -29.070 -29.070 1117 HA ASP 153 HA ASP 153 116.086 -31.889 -31.889 1118 1HB ASP 153 2HB ASP 153 117.922 -29.673 -29.673 1119 2HB ASP 153 1HB ASP 153 118.765 -31.062 -31.062 1120 H ILE 154 H ILE 154 117.369 -33.573 -33.573 1121 HA ILE 154 HA ILE 154 117.542 -33.063 -33.063 1122 HB ILE 154 HB ILE 154 116.811 -35.673 -35.673 1123 1HG1 ILE 154 2HG1 ILE 154 114.441 -34.806 -34.806 1124 2HG1 ILE 154 1HG1 ILE 154 115.161 -33.248 -33.248 1125 1HG2 ILE 154 2HG2 ILE 154 116.944 -34.620 -34.620 1126 2HG2 ILE 154 1HG2 ILE 154 115.569 -35.657 -35.657 1127 3HG2 ILE 154 3HG2 ILE 154 117.212 -36.258 -36.258 1128 1HD1 ILE 154 3HD1 ILE 154 115.558 -35.289 -35.289 1129 2HD1 ILE 154 2HD1 ILE 154 113.860 -34.915 -34.915 1130 3HD1 ILE 154 1HD1 ILE 154 114.981 -33.629 -33.629 1131 HA PRO 155 HA PRO 155 121.629 -34.522 -34.522 1132 1HB PRO 155 2HB PRO 155 123.124 -32.823 -32.823 1133 2HB PRO 155 1HB PRO 155 122.476 -32.375 -32.375 1134 1HG PRO 155 2HG PRO 155 121.492 -31.669 -31.669 1135 2HG PRO 155 1HG PRO 155 121.501 -30.709 -30.709 1136 1HD PRO 155 2HD PRO 155 119.286 -31.982 -31.982 1137 2HD PRO 155 1HD PRO 155 119.502 -31.548 -31.548 1138 H ASP 156 HN ASP 156 122.563 -36.273 -36.273 1139 HA ASP 156 HA ASP 156 122.264 -36.528 -36.528 1140 1HB ASP 156 2HB ASP 156 120.968 -38.109 -38.109 1141 2HB ASP 156 1HB ASP 156 122.475 -38.647 -38.647 Start of MODEL 8 1 1H MET 1 2H MET 1 98.296 24.670 24.670 2 2H MET 1 1H MET 1 98.532 23.215 23.215 3 3H MET 1 3H MET 1 98.071 24.615 24.615 4 HA MET 1 HA MET 1 100.281 24.725 24.725 5 1HB MET 1 2HB MET 1 100.262 22.548 22.548 6 2HB MET 1 1HB MET 1 101.190 23.669 23.669 7 1HG MET 1 2HG MET 1 102.987 23.583 23.583 8 2HG MET 1 1HG MET 1 101.990 23.705 23.705 9 1HE MET 1 2HE MET 1 104.018 21.667 21.667 10 2HE MET 1 1HE MET 1 104.678 21.844 21.844 11 3HE MET 1 3HE MET 1 104.287 20.238 20.238 12 H GLU 2 H GLU 2 98.540 26.556 26.556 13 HA GLU 2 HA GLU 2 99.938 27.818 27.818 14 1HB GLU 2 2HB GLU 2 97.646 28.228 28.228 15 2HB GLU 2 1HB GLU 2 98.585 29.712 29.712 16 1HG GLU 2 2HG GLU 2 97.950 28.413 28.413 17 2HG GLU 2 1HG GLU 2 96.998 29.719 29.719 18 HA PRO 3 HA PRO 3 102.119 30.629 30.629 19 1HB PRO 3 2HB PRO 3 101.920 29.990 29.990 20 2HB PRO 3 1HB PRO 3 100.775 31.063 31.063 21 1HG PRO 3 2HG PRO 3 100.481 28.219 28.219 22 2HG PRO 3 1HG PRO 3 99.274 29.510 29.510 23 1HD PRO 3 2HD PRO 3 99.536 27.532 27.532 24 2HD PRO 3 1HD PRO 3 98.759 29.105 29.105 25 H ALA 4 H ALA 4 104.302 30.389 30.389 26 HA ALA 4 HA ALA 4 105.654 27.960 27.960 27 1HB ALA 4 2HB ALA 4 106.240 30.618 30.618 28 2HB ALA 4 1HB ALA 4 107.070 29.536 29.536 29 3HB ALA 4 3HB ALA 4 107.371 29.415 29.415 30 H ALA 5 H ALA 5 106.275 26.224 26.224 31 HA ALA 5 HA ALA 5 106.221 26.209 26.209 32 1HB ALA 5 1HB ALA 5 103.777 25.364 25.364 33 2HB ALA 5 3HB ALA 5 104.139 24.602 24.602 34 3HB ALA 5 2HB ALA 5 103.876 26.343 26.343 35 H GLY 6 H GLY 6 107.494 24.512 24.512 36 1HA GLY 6 2HA GLY 6 107.767 21.982 21.982 37 2HA GLY 6 1HA GLY 6 107.875 22.303 22.303 38 H SER 7 H SER 7 109.654 23.883 23.883 39 HA SER 7 HA SER 7 111.958 24.426 24.426 40 1HB SER 7 2HB SER 7 110.842 25.209 25.209 41 2HB SER 7 1HB SER 7 112.201 24.226 24.226 42 HG SER 7 HG SER 7 113.543 25.507 25.507 43 H SER 8 H SER 8 113.920 23.545 23.545 44 HA SER 8 HA SER 8 113.740 20.597 20.597 45 1HB SER 8 2HB SER 8 114.489 20.969 20.969 46 2HB SER 8 1HB SER 8 115.642 22.195 22.195 47 HG SER 8 HG SER 8 116.145 19.696 19.696 48 H MET 9 H MET 9 115.093 19.732 19.732 49 HA MET 9 HA MET 9 117.323 21.262 21.262 50 1HB MET 9 2HB MET 9 115.205 22.268 22.268 51 2HB MET 9 1HB MET 9 114.830 20.698 20.698 52 1HG MET 9 2HG MET 9 116.180 21.128 21.128 53 2HG MET 9 1HG MET 9 117.539 21.407 21.407 54 1HE MET 9 3HE MET 9 114.218 22.674 22.674 55 2HE MET 9 2HE MET 9 115.008 23.239 23.239 56 3HE MET 9 1HE MET 9 114.375 24.407 24.407 57 H GLU 10 H GLU 10 114.978 18.688 18.688 58 HA GLU 10 HA GLU 10 115.347 16.484 16.484 59 1HB GLU 10 2HB GLU 10 116.242 16.487 16.487 60 2HB GLU 10 1HB GLU 10 117.838 16.854 16.854 61 1HG GLU 10 2HG GLU 10 118.080 14.590 14.590 62 2HG GLU 10 1HG GLU 10 117.141 14.713 14.713 63 HA PRO 11 HA PRO 11 118.362 17.973 17.973 64 1HB PRO 11 2HB PRO 11 116.806 17.304 17.304 65 2HB PRO 11 1HB PRO 11 116.678 18.862 18.862 66 1HG PRO 11 2HG PRO 11 114.952 16.450 16.450 67 2HG PRO 11 1HG PRO 11 114.511 18.162 18.162 68 1HD PRO 11 2HD PRO 11 114.680 16.626 16.626 69 2HD PRO 11 1HD PRO 11 114.934 18.386 18.386 70 H SER 12 H SER 12 119.296 15.891 15.891 71 HA SER 12 HA SER 12 120.309 13.790 13.790 72 1HB SER 12 2HB SER 12 119.261 14.049 14.049 73 2HB SER 12 1HB SER 12 120.701 13.192 13.192 74 HG SER 12 HG SER 12 121.039 15.610 15.610 75 H ALA 13 H ALA 13 117.133 14.225 14.225 76 HA ALA 13 HA ALA 13 115.303 12.762 12.762 77 1HB ALA 13 3HB ALA 13 117.764 11.350 11.350 78 2HB ALA 13 2HB ALA 13 116.586 10.237 10.237 79 3HB ALA 13 1HB ALA 13 116.181 11.162 11.162 80 H ASP 14 H ASP 14 116.079 13.563 13.563 81 HA ASP 14 HA ASP 14 115.808 11.184 11.184 82 1HB ASP 14 2HB ASP 14 117.122 13.470 13.470 83 2HB ASP 14 1HB ASP 14 115.569 14.020 14.020 84 H TRP 15 H TRP 15 113.552 12.286 12.286 85 HA TRP 15 HA TRP 15 111.431 13.165 13.165 86 1HB TRP 15 2HB TRP 15 111.643 12.156 12.156 87 2HB TRP 15 1HB TRP 15 110.087 12.571 12.571 88 HD1 TRP 15 HD1 TRP 15 112.366 14.868 14.868 89 HE1 TRP 15 HE1 TRP 15 112.431 17.150 17.150 90 HE3 TRP 15 HE3 TRP 15 110.127 13.613 13.613 91 HZ2 TRP 15 HZ2 TRP 15 111.639 18.293 18.293 92 HZ3 TRP 15 HZ3 TRP 15 109.796 15.316 15.316 93 HH2 TRP 15 HH2 TRP 15 110.550 17.651 17.651 94 H LEU 16 H LEU 16 112.682 10.062 10.062 95 HA LEU 16 HA LEU 16 110.361 8.442 8.442 96 1HB LEU 16 2HB LEU 16 112.040 6.614 6.614 97 2HB LEU 16 1HB LEU 16 112.242 7.734 7.734 98 HG LEU 16 HG LEU 16 113.847 8.883 8.883 99 1HD1 LEU 16 2HD1 LEU 16 113.407 6.836 6.836 100 2HD1 LEU 16 1HD1 LEU 16 114.271 5.892 5.892 101 3HD1 LEU 16 3HD1 LEU 16 115.109 7.167 7.167 102 1HD2 LEU 16 2HD2 LEU 16 114.394 8.429 8.429 103 2HD2 LEU 16 1HD2 LEU 16 115.709 7.940 7.940 104 3HD2 LEU 16 3HD2 LEU 16 114.625 6.726 6.726 105 H ALA 17 H ALA 17 113.078 9.578 9.578 106 HA ALA 17 HA ALA 17 112.333 7.985 7.985 107 1HB ALA 17 1HB ALA 17 114.632 8.927 8.927 108 2HB ALA 17 3HB ALA 17 114.052 10.476 10.476 109 3HB ALA 17 2HB ALA 17 114.198 9.094 9.094 110 H THR 18 H THR 18 112.170 11.465 11.465 111 HA THR 18 HA THR 18 110.834 12.467 12.467 112 HB THR 18 HB THR 18 109.729 13.808 13.808 113 HG1 THR 18 HG1 THR 18 112.311 13.357 13.357 114 1HG2 THR 18 2HG2 THR 18 112.035 14.110 14.110 115 2HG2 THR 18 1HG2 THR 18 112.174 15.014 15.014 116 3HG2 THR 18 3HG2 THR 18 110.792 15.280 15.280 117 H ALA 19 H ALA 19 109.347 11.200 11.200 118 HA ALA 19 HA ALA 19 106.632 11.378 11.378 119 1HB ALA 19 2HB ALA 19 108.214 9.620 9.620 120 2HB ALA 19 1HB ALA 19 106.468 9.422 9.422 121 3HB ALA 19 3HB ALA 19 107.136 10.955 10.955 122 H ALA 20 H ALA 20 109.037 8.806 8.806 123 HA ALA 20 HA ALA 20 107.280 6.822 6.822 124 1HB ALA 20 3HB ALA 20 109.775 6.769 6.769 125 2HB ALA 20 2HB ALA 20 110.123 7.307 7.307 126 3HB ALA 20 1HB ALA 20 109.304 5.766 5.766 127 H ALA 21 H ALA 21 109.493 8.983 8.983 128 HA ALA 21 HA ALA 21 108.688 8.515 8.515 129 1HB ALA 21 2HB ALA 21 110.376 10.182 10.182 130 2HB ALA 21 1HB ALA 21 109.094 11.340 11.340 131 3HB ALA 21 3HB ALA 21 109.864 10.463 10.463 132 H ARG 22 H ARG 22 106.946 10.340 10.340 133 HA ARG 22 HA ARG 22 104.974 11.345 11.345 134 1HB ARG 22 2HB ARG 22 105.650 11.740 11.740 135 2HB ARG 22 1HB ARG 22 104.038 12.190 12.190 136 1HG ARG 22 2HG ARG 22 105.559 13.274 13.274 137 2HG ARG 22 1HG ARG 22 106.658 13.434 13.434 138 1HD ARG 22 2HD ARG 22 103.756 14.312 14.312 139 2HD ARG 22 1HD ARG 22 105.086 15.403 15.403 140 HE ARG 22 HE ARG 22 104.798 14.030 14.030 141 1HH1 ARG 22 2HH1 ARG 22 107.655 14.441 14.441 142 2HH1 ARG 22 1HH1 ARG 22 107.985 16.015 16.015 143 1HH2 ARG 22 1HH2 ARG 22 104.641 16.870 16.870 144 2HH2 ARG 22 2HH2 ARG 22 106.276 17.395 17.395 145 H GLY 23 H GLY 23 105.162 8.398 8.398 146 1HA GLY 23 2HA GLY 23 103.784 6.577 6.577 147 2HA GLY 23 1HA GLY 23 102.527 7.608 7.608 148 H ARG 24 H ARG 24 104.381 8.311 8.311 149 HA ARG 24 HA ARG 24 101.806 8.237 8.237 150 1HB ARG 24 2HB ARG 24 104.088 10.041 10.041 151 2HB ARG 24 1HB ARG 24 103.794 9.578 9.578 152 1HG ARG 24 2HG ARG 24 102.455 11.537 11.537 153 2HG ARG 24 1HG ARG 24 101.359 10.156 10.156 154 1HD ARG 24 2HD ARG 24 101.387 9.962 9.962 155 2HD ARG 24 1HD ARG 24 102.446 11.380 11.380 156 HE ARG 24 HE ARG 24 100.496 12.481 12.481 157 1HH1 ARG 24 2HH1 ARG 24 100.549 11.029 11.029 158 2HH1 ARG 24 1HH1 ARG 24 98.840 11.120 11.120 159 1HH2 ARG 24 1HH2 ARG 24 98.140 12.219 12.219 160 2HH2 ARG 24 2HH2 ARG 24 97.475 11.792 11.792 161 H VAL 25 H VAL 25 101.849 6.022 6.022 162 HA VAL 25 HA VAL 25 104.222 4.750 4.750 163 HB VAL 25 HB VAL 25 101.259 4.090 4.090 164 1HG1 VAL 25 1HG1 VAL 25 103.705 2.524 2.524 165 2HG1 VAL 25 3HG1 VAL 25 102.197 1.729 1.729 166 3HG1 VAL 25 2HG1 VAL 25 102.234 2.829 2.829 167 1HG2 VAL 25 1HG2 VAL 25 103.472 3.686 3.686 168 2HG2 VAL 25 3HG2 VAL 25 101.741 3.835 3.835 169 3HG2 VAL 25 2HG2 VAL 25 102.413 2.300 2.300 170 H GLU 26 H GLU 26 101.115 5.595 5.595 171 HA GLU 26 HA GLU 26 101.619 5.109 5.109 172 1HB GLU 26 2HB GLU 26 100.214 7.378 7.378 173 2HB GLU 26 1HB GLU 26 100.128 7.182 7.182 174 1HG GLU 26 2HG GLU 26 99.165 4.964 4.964 175 2HG GLU 26 1HG GLU 26 99.376 5.024 5.024 176 H GLU 27 H GLU 27 102.941 7.792 7.792 177 HA GLU 27 HA GLU 27 103.904 9.364 9.364 178 1HB GLU 27 2HB GLU 27 104.282 9.147 9.147 179 2HB GLU 27 1HB GLU 27 105.547 9.991 9.991 180 1HG GLU 27 2HG GLU 27 103.226 11.000 11.000 181 2HG GLU 27 1HG GLU 27 102.795 10.832 10.832 182 H VAL 28 H VAL 28 105.604 7.101 7.101 183 HA VAL 28 HA VAL 28 108.099 7.187 7.187 184 HB VAL 28 HB VAL 28 107.058 4.950 4.950 185 1HG1 VAL 28 1HG1 VAL 28 109.795 6.136 6.136 186 2HG1 VAL 28 3HG1 VAL 28 109.468 4.907 4.907 187 3HG1 VAL 28 2HG1 VAL 28 109.226 4.542 4.542 188 1HG2 VAL 28 2HG2 VAL 28 107.917 7.754 7.754 189 2HG2 VAL 28 1HG2 VAL 28 106.557 6.827 6.827 190 3HG2 VAL 28 3HG2 VAL 28 108.197 6.432 6.432 191 H ARG 29 H ARG 29 105.340 4.908 4.908 192 HA ARG 29 HA ARG 29 106.334 2.860 2.860 193 1HB ARG 29 2HB ARG 29 103.793 4.036 4.036 194 2HB ARG 29 1HB ARG 29 103.735 3.519 3.519 195 1HG ARG 29 2HG ARG 29 103.332 1.446 1.446 196 2HG ARG 29 1HG ARG 29 105.038 1.412 1.412 197 1HD ARG 29 2HD ARG 29 104.472 1.351 1.351 198 2HD ARG 29 1HD ARG 29 103.581 2.872 2.872 199 HE ARG 29 HE ARG 29 101.576 1.622 1.622 200 1HH1 ARG 29 1HH2 ARG 29 103.963 -0.235 -0.235 201 2HH1 ARG 29 2HH2 ARG 29 103.292 -1.768 -1.768 202 1HH2 ARG 29 2HH1 ARG 29 100.865 -0.416 -0.416 203 2HH2 ARG 29 1HH1 ARG 29 101.522 -1.870 -1.870 204 H ALA 30 H ALA 30 104.860 5.924 5.924 205 HA ALA 30 HA ALA 30 105.360 5.498 5.498 206 1HB ALA 30 1HB ALA 30 103.865 7.179 7.179 207 2HB ALA 30 3HB ALA 30 105.258 8.234 8.234 208 3HB ALA 30 2HB ALA 30 104.381 7.594 7.594 209 H LEU 31 H LEU 31 107.085 7.453 7.453 210 HA LEU 31 HA LEU 31 109.182 8.413 8.413 211 1HB LEU 31 2HB LEU 31 108.879 7.800 7.800 212 2HB LEU 31 1HB LEU 31 110.397 8.433 8.433 213 HG LEU 31 HG LEU 31 107.944 9.836 9.836 214 1HD1 LEU 31 2HD1 LEU 31 108.511 9.353 9.353 215 2HD1 LEU 31 1HD1 LEU 31 108.594 11.072 11.072 216 3HD1 LEU 31 3HD1 LEU 31 107.127 10.164 10.164 217 1HD2 LEU 31 1HD2 LEU 31 110.645 10.724 10.724 218 2HD2 LEU 31 3HD2 LEU 31 110.222 10.551 10.551 219 3HD2 LEU 31 2HD2 LEU 31 109.433 11.786 11.786 220 H LEU 32 H LEU 32 109.376 5.683 5.683 221 HA LEU 32 HA LEU 32 111.860 4.630 4.630 222 1HB LEU 32 2HB LEU 32 109.210 3.559 3.559 223 2HB LEU 32 1HB LEU 32 110.434 2.379 2.379 224 HG LEU 32 HG LEU 32 110.840 4.563 4.563 225 1HD1 LEU 32 2HD1 LEU 32 109.275 2.707 2.707 226 2HD1 LEU 32 1HD1 LEU 32 110.595 1.569 1.569 227 3HD1 LEU 32 3HD1 LEU 32 110.720 2.806 2.806 228 1HD2 LEU 32 1HD2 LEU 32 112.711 3.176 3.176 229 2HD2 LEU 32 3HD2 LEU 32 113.035 4.016 4.016 230 3HD2 LEU 32 2HD2 LEU 32 112.672 2.290 2.290 231 H GLU 33 H GLU 33 108.806 3.873 3.873 232 HA GLU 33 HA GLU 33 110.062 2.261 2.261 233 1HB GLU 33 2HB GLU 33 107.417 3.414 3.414 234 2HB GLU 33 1HB GLU 33 107.661 3.037 3.037 235 1HG GLU 33 2HG GLU 33 108.626 0.770 0.770 236 2HG GLU 33 1HG GLU 33 107.618 1.195 1.195 237 H ALA 34 H ALA 34 109.804 5.654 5.654 238 HA ALA 34 HA ALA 34 110.025 6.329 6.329 239 1HB ALA 34 1HB ALA 34 109.340 7.637 7.637 240 2HB ALA 34 3HB ALA 34 110.191 8.664 8.664 241 3HB ALA 34 2HB ALA 34 108.671 7.900 7.900 242 H GLY 35 H GLY 35 112.167 5.469 5.469 243 1HA GLY 35 2HA GLY 35 114.558 5.408 5.408 244 2HA GLY 35 1HA GLY 35 114.334 7.068 7.068 245 H ALA 36 H ALA 36 113.060 5.804 5.804 246 HA ALA 36 HA ALA 36 114.457 7.925 7.925 247 1HB ALA 36 2HB ALA 36 112.117 6.524 6.524 248 2HB ALA 36 1HB ALA 36 113.148 5.707 5.707 249 3HB ALA 36 3HB ALA 36 112.872 7.443 7.443 250 H LEU 37 H LEU 37 116.297 7.622 7.622 251 HA LEU 37 HA LEU 37 117.903 5.250 5.250 252 1HB LEU 37 2HB LEU 37 118.340 7.893 7.893 253 2HB LEU 37 1HB LEU 37 118.727 7.107 7.107 254 HG LEU 37 HG LEU 37 120.180 5.496 5.496 255 1HD1 LEU 37 2HD1 LEU 37 118.959 6.887 6.887 256 2HD1 LEU 37 1HD1 LEU 37 120.702 7.150 7.150 257 3HD1 LEU 37 3HD1 LEU 37 120.059 5.508 5.508 258 1HD2 LEU 37 1HD2 LEU 37 121.027 7.536 7.536 259 2HD2 LEU 37 3HD2 LEU 37 122.040 7.041 7.041 260 3HD2 LEU 37 2HD2 LEU 37 120.944 8.414 8.414 261 HA PRO 38 HA PRO 38 116.303 3.104 3.104 262 1HB PRO 38 2HB PRO 38 117.874 0.880 0.880 263 2HB PRO 38 1HB PRO 38 116.405 1.152 1.152 264 1HG PRO 38 2HG PRO 38 119.253 1.547 1.547 265 2HG PRO 38 1HG PRO 38 117.902 0.939 0.939 266 1HD PRO 38 2HD PRO 38 118.866 3.478 3.478 267 2HD PRO 38 1HD PRO 38 117.177 3.039 3.039 268 H ASN 39 H ASN 39 119.613 3.992 3.992 269 HA ASN 39 HA ASN 39 120.249 3.833 3.833 270 1HB ASN 39 2HB ASN 39 121.586 2.762 2.762 271 2HB ASN 39 1HB ASN 39 122.669 3.735 3.735 272 1HD2 ASN 39 1HD2 ASN 39 119.899 1.721 1.721 273 2HD2 ASN 39 2HD2 ASN 39 120.821 0.680 0.680 274 H ALA 40 H ALA 40 119.094 6.137 6.137 275 HA ALA 40 HA ALA 40 121.143 8.059 8.059 276 1HB ALA 40 2HB ALA 40 118.205 8.002 8.002 277 2HB ALA 40 1HB ALA 40 119.019 9.565 9.565 278 3HB ALA 40 3HB ALA 40 119.046 8.572 8.572 279 HA PRO 41 HA PRO 41 122.189 9.346 9.346 280 1HB PRO 41 2HB PRO 41 123.096 11.871 11.871 281 2HB PRO 41 1HB PRO 41 124.008 10.414 10.414 282 1HG PRO 41 2HG PRO 41 122.441 12.235 12.235 283 2HG PRO 41 1HG PRO 41 123.869 11.264 11.264 284 1HD PRO 41 2HD PRO 41 121.238 10.637 10.637 285 2HD PRO 41 1HD PRO 41 122.615 9.518 9.518 286 H ASN 42 H ASN 42 120.922 10.154 10.154 287 HA ASN 42 HA ASN 42 118.606 11.887 11.887 288 1HB ASN 42 2HB ASN 42 118.808 9.600 9.600 289 2HB ASN 42 1HB ASN 42 119.090 10.728 10.728 290 1HD2 ASN 42 1HD2 ASN 42 116.988 10.235 10.235 291 2HD2 ASN 42 2HD2 ASN 42 115.547 10.787 10.787 292 H SER 43 H SER 43 118.056 13.224 13.224 293 HA SER 43 HA SER 43 120.463 14.955 14.955 294 1HB SER 43 2HB SER 43 117.492 15.459 15.459 295 2HB SER 43 1HB SER 43 118.566 16.631 16.631 296 HG SER 43 HG SER 43 119.628 15.814 15.814 297 H TYR 44 H TYR 44 118.725 12.570 12.570 298 HA TYR 44 HA TYR 44 119.015 13.817 13.817 299 1HB TYR 44 2HB TYR 44 117.187 11.585 11.585 300 2HB TYR 44 1HB TYR 44 117.165 12.337 12.337 301 HD1 TYR 44 HD1 TYR 44 116.651 14.838 14.838 302 HD2 TYR 44 HD2 TYR 44 116.004 12.534 12.534 303 HE1 TYR 44 HE1 TYR 44 115.118 16.590 16.590 304 HE2 TYR 44 HE2 TYR 44 114.471 14.286 14.286 305 HH TYR 44 HH TYR 44 113.472 16.234 16.234 306 H GLY 45 H GLY 45 120.882 12.123 12.123 307 1HA GLY 45 2HA GLY 45 122.443 10.414 10.414 308 2HA GLY 45 1HA GLY 45 122.269 10.703 10.703 309 H ARG 46 H ARG 46 119.443 9.811 9.811 310 HA ARG 46 HA ARG 46 119.502 7.128 7.128 311 1HB ARG 46 2HB ARG 46 117.421 9.164 9.164 312 2HB ARG 46 1HB ARG 46 116.932 7.470 7.470 313 1HG ARG 46 2HG ARG 46 116.713 7.633 7.633 314 2HG ARG 46 1HG ARG 46 118.468 7.778 7.778 315 1HD ARG 46 2HD ARG 46 118.148 9.860 9.860 316 2HD ARG 46 1HD ARG 46 117.547 10.338 10.338 317 HE ARG 46 HE ARG 46 115.292 9.951 9.951 318 1HH1 ARG 46 2HH1 ARG 46 117.308 8.248 8.248 319 2HH1 ARG 46 1HH1 ARG 46 116.390 8.601 8.601 320 1HH2 ARG 46 1HH2 ARG 46 114.265 10.830 10.830 321 2HH2 ARG 46 2HH2 ARG 46 114.660 10.054 10.054 322 H ARG 47 H ARG 47 117.665 5.772 5.772 323 HA ARG 47 HA ARG 47 118.950 5.618 5.618 324 1HB ARG 47 2HB ARG 47 117.301 3.602 3.602 325 2HB ARG 47 1HB ARG 47 118.162 3.279 3.279 326 1HG ARG 47 2HG ARG 47 119.353 3.975 3.975 327 2HG ARG 47 1HG ARG 47 119.574 2.490 2.490 328 1HD ARG 47 2HD ARG 47 120.631 3.927 3.927 329 2HD ARG 47 1HD ARG 47 120.643 5.250 5.250 330 HE ARG 47 HE ARG 47 121.756 2.712 2.712 331 1HH1 ARG 47 1HH2 ARG 47 123.304 3.928 3.928 332 2HH1 ARG 47 2HH2 ARG 47 124.517 4.835 4.835 333 1HH2 ARG 47 2HH1 ARG 47 122.856 4.721 4.721 334 2HH2 ARG 47 1HH1 ARG 47 124.274 5.262 5.262 335 HA PRO 48 HA PRO 48 115.262 6.735 6.735 336 1HB PRO 48 2HB PRO 48 114.963 4.761 4.761 337 2HB PRO 48 1HB PRO 48 116.172 6.058 6.058 338 1HG PRO 48 2HG PRO 48 116.508 3.260 3.260 339 2HG PRO 48 1HG PRO 48 117.538 4.185 4.185 340 1HD PRO 48 2HD PRO 48 118.201 3.927 3.927 341 2HD PRO 48 1HD PRO 48 118.458 5.466 5.466 342 H ILE 49 H ILE 49 115.520 3.747 3.747 343 HA ILE 49 HA ILE 49 112.553 3.349 3.349 344 HB ILE 49 HB ILE 49 114.936 1.564 1.564 345 1HG1 ILE 49 2HG1 ILE 49 112.628 1.673 1.673 346 2HG1 ILE 49 1HG1 ILE 49 114.350 1.581 1.581 347 1HG2 ILE 49 1HG2 ILE 49 112.023 0.958 0.958 348 2HG2 ILE 49 3HG2 ILE 49 113.338 -0.219 -0.219 349 3HG2 ILE 49 2HG2 ILE 49 113.329 1.124 1.124 350 1HD1 ILE 49 2HD1 ILE 49 114.350 -0.730 -0.730 351 2HD1 ILE 49 1HD1 ILE 49 112.593 -0.621 -0.621 352 3HD1 ILE 49 3HD1 ILE 49 113.390 -0.598 -0.598 353 H GLN 50 H GLN 50 115.378 3.693 3.693 354 HA GLN 50 HA GLN 50 114.121 3.235 3.235 355 1HB GLN 50 2HB GLN 50 116.618 3.715 3.715 356 2HB GLN 50 1HB GLN 50 116.221 5.344 5.344 357 1HG GLN 50 2HG GLN 50 115.794 4.609 4.609 358 2HG GLN 50 1HG GLN 50 115.684 2.920 2.920 359 1HE2 GLN 50 1HE2 GLN 50 118.237 5.196 5.196 360 2HE2 GLN 50 2HE2 GLN 50 119.506 4.368 4.368 361 H VAL 51 H VAL 51 113.709 5.808 5.808 362 HA VAL 51 HA VAL 51 112.321 7.451 7.451 363 HB VAL 51 HB VAL 51 114.291 8.548 8.548 364 1HG1 VAL 51 2HG1 VAL 51 113.422 7.178 7.178 365 2HG1 VAL 51 1HG1 VAL 51 113.403 8.905 8.905 366 3HG1 VAL 51 3HG1 VAL 51 114.882 8.141 8.141 367 1HG2 VAL 51 2HG2 VAL 51 111.834 9.669 9.669 368 2HG2 VAL 51 1HG2 VAL 51 113.251 10.567 10.567 369 3HG2 VAL 51 3HG2 VAL 51 112.122 9.902 9.902 370 H MET 52 H MET 52 111.079 5.200 5.200 371 HA MET 52 HA MET 52 109.361 6.575 6.575 372 1HB MET 52 2HB MET 52 108.727 4.302 4.302 373 2HB MET 52 1HB MET 52 110.481 4.398 4.398 374 1HG MET 52 2HG MET 52 110.481 2.742 2.742 375 2HG MET 52 1HG MET 52 109.500 3.721 3.721 376 1HE MET 52 2HE MET 52 109.903 0.547 0.547 377 2HE MET 52 1HE MET 52 109.146 0.752 0.752 378 3HE MET 52 3HE MET 52 108.323 -0.167 -0.167 379 H MET 53 H MET 53 109.185 7.011 7.011 380 HA MET 53 HA MET 53 107.390 7.434 7.434 381 1HB MET 53 2HB MET 53 106.186 7.404 7.404 382 2HB MET 53 1HB MET 53 105.546 5.869 5.869 383 1HG MET 53 2HG MET 53 105.437 8.218 8.218 384 2HG MET 53 1HG MET 53 104.292 8.166 8.166 385 1HE MET 53 3HE MET 53 102.821 6.413 6.413 386 2HE MET 53 2HE MET 53 103.703 4.909 4.909 387 3HE MET 53 1HE MET 53 102.156 5.161 5.161 388 H MET 54 H MET 54 108.457 4.372 4.372 389 HA MET 54 HA MET 54 108.303 2.198 2.198 390 1HB MET 54 2HB MET 54 108.581 4.262 4.262 391 2HB MET 54 1HB MET 54 108.125 2.657 2.657 392 1HG MET 54 2HG MET 54 110.614 3.026 3.026 393 2HG MET 54 1HG MET 54 110.049 1.656 1.656 394 1HE MET 54 3HE MET 54 110.827 1.095 1.095 395 2HE MET 54 2HE MET 54 110.606 1.910 1.910 396 3HE MET 54 1HE MET 54 112.196 1.878 1.878 397 H GLY 55 H GLY 55 105.718 3.691 3.691 398 1HA GLY 55 2HA GLY 55 103.907 1.994 1.994 399 2HA GLY 55 1HA GLY 55 103.497 3.666 3.666 400 H SER 56 H SER 56 105.200 1.988 1.988 401 HA SER 56 HA SER 56 102.710 1.177 1.177 402 1HB SER 56 2HB SER 56 103.540 3.690 3.690 403 2HB SER 56 1HB SER 56 104.664 2.952 2.952 404 HG SER 56 HG SER 56 102.649 3.595 3.595 405 H ALA 57 H ALA 57 104.258 -0.799 -0.799 406 HA ALA 57 HA ALA 57 106.656 -1.575 -1.575 407 1HB ALA 57 2HB ALA 57 105.124 -2.975 -2.975 408 2HB ALA 57 1HB ALA 57 104.070 -3.172 -3.172 409 3HB ALA 57 3HB ALA 57 105.696 -3.853 -3.853 410 H ARG 58 H ARG 58 103.621 -1.164 -1.164 411 HA ARG 58 HA ARG 58 104.177 -2.368 -2.368 412 1HB ARG 58 2HB ARG 58 102.887 0.306 0.306 413 2HB ARG 58 1HB ARG 58 102.701 -0.547 -0.547 414 1HG ARG 58 2HG ARG 58 102.143 -2.324 -2.324 415 2HG ARG 58 1HG ARG 58 101.141 -0.878 -0.878 416 1HD ARG 58 2HD ARG 58 100.574 -1.246 -1.246 417 2HD ARG 58 1HD ARG 58 101.330 -2.844 -2.844 418 HE ARG 58 HE ARG 58 99.509 -3.514 -3.514 419 1HH1 ARG 58 2HH1 ARG 58 98.368 -0.978 -0.978 420 2HH1 ARG 58 1HH1 ARG 58 97.393 -0.310 -0.310 421 1HH2 ARG 58 1HH2 ARG 58 98.805 -2.265 -2.265 422 2HH2 ARG 58 2HH2 ARG 58 97.647 -1.030 -1.030 423 H VAL 59 H VAL 59 105.248 0.805 0.805 424 HA VAL 59 HA VAL 59 106.601 1.710 1.710 425 HB VAL 59 HB VAL 59 107.277 2.229 2.229 426 1HG1 VAL 59 1HG1 VAL 59 108.186 3.298 3.298 427 2HG1 VAL 59 3HG1 VAL 59 107.693 4.542 4.542 428 3HG1 VAL 59 2HG1 VAL 59 108.954 3.390 3.390 429 1HG2 VAL 59 1HG2 VAL 59 104.854 2.627 2.627 430 2HG2 VAL 59 3HG2 VAL 59 105.716 4.086 4.086 431 3HG2 VAL 59 2HG2 VAL 59 105.398 3.773 3.773 432 H ALA 60 H ALA 60 108.083 0.344 0.344 433 HA ALA 60 HA ALA 60 110.690 -0.044 -0.044 434 1HB ALA 60 3HB ALA 60 109.351 -0.892 -0.892 435 2HB ALA 60 2HB ALA 60 108.982 -2.317 -2.317 436 3HB ALA 60 1HB ALA 60 110.655 -1.941 -1.941 437 H GLU 61 H GLU 61 108.117 -2.356 -2.356 438 HA GLU 61 HA GLU 61 109.626 -4.108 -4.108 439 1HB GLU 61 2HB GLU 61 106.909 -3.446 -3.446 440 2HB GLU 61 1HB GLU 61 107.099 -3.478 -3.478 441 1HG GLU 61 2HG GLU 61 108.493 -5.707 -5.707 442 2HG GLU 61 1HG GLU 61 107.324 -5.690 -5.690 443 H LEU 62 H LEU 62 107.885 -1.196 -1.196 444 HA LEU 62 HA LEU 62 108.624 -1.106 -1.106 445 1HB LEU 62 2HB LEU 62 107.685 0.658 0.658 446 2HB LEU 62 1HB LEU 62 109.015 1.488 1.488 447 HG LEU 62 HG LEU 62 106.480 0.399 0.399 448 1HD1 LEU 62 3HD1 LEU 62 107.214 2.894 2.894 449 2HD1 LEU 62 2HD1 LEU 62 107.466 3.048 3.048 450 3HD1 LEU 62 1HD1 LEU 62 105.892 2.577 2.577 451 1HD2 LEU 62 3HD2 LEU 62 109.086 0.378 0.378 452 2HD2 LEU 62 2HD2 LEU 62 107.537 0.043 0.043 453 3HD2 LEU 62 1HD2 LEU 62 108.172 1.688 1.688 454 H LEU 63 H LEU 63 110.505 0.668 0.668 455 HA LEU 63 HA LEU 63 112.815 0.991 0.991 456 1HB LEU 63 2HB LEU 63 112.481 1.055 1.055 457 2HB LEU 63 1HB LEU 63 113.849 1.725 1.725 458 HG LEU 63 HG LEU 63 110.984 2.589 2.589 459 1HD1 LEU 63 2HD1 LEU 63 112.880 3.281 3.281 460 2HD1 LEU 63 1HD1 LEU 63 112.358 4.689 4.689 461 3HD1 LEU 63 3HD1 LEU 63 111.163 3.660 3.660 462 1HD2 LEU 63 1HD2 LEU 63 112.692 2.911 2.911 463 2HD2 LEU 63 3HD2 LEU 63 112.006 4.417 4.417 464 3HD2 LEU 63 2HD2 LEU 63 113.619 3.917 3.917 465 H LEU 64 H LEU 64 112.192 -1.197 -1.197 466 HA LEU 64 HA LEU 64 114.557 -2.584 -2.584 467 1HB LEU 64 2HB LEU 64 112.598 -3.078 -3.078 468 2HB LEU 64 1HB LEU 64 111.720 -3.649 -3.649 469 HG LEU 64 HG LEU 64 114.211 -5.062 -5.062 470 1HD1 LEU 64 3HD1 LEU 64 113.167 -4.392 -4.392 471 2HD1 LEU 64 2HD1 LEU 64 112.912 -6.116 -6.116 472 3HD1 LEU 64 1HD1 LEU 64 114.533 -5.434 -5.434 473 1HD2 LEU 64 2HD2 LEU 64 111.277 -5.699 -5.699 474 2HD2 LEU 64 1HD2 LEU 64 112.466 -6.116 -6.116 475 3HD2 LEU 64 3HD2 LEU 64 112.454 -6.977 -6.977 476 H LEU 65 H LEU 65 111.995 -4.052 -4.052 477 HA LEU 65 HA LEU 65 113.668 -5.781 -5.781 478 1HB LEU 65 2HB LEU 65 111.792 -6.069 -6.069 479 2HB LEU 65 1HB LEU 65 111.088 -5.547 -5.547 480 HG LEU 65 HG LEU 65 111.562 -3.137 -3.137 481 1HD1 LEU 65 2HD1 LEU 65 111.408 -5.236 -5.236 482 2HD1 LEU 65 1HD1 LEU 65 110.310 -3.881 -3.881 483 3HD1 LEU 65 3HD1 LEU 65 112.045 -3.596 -3.596 484 1HD2 LEU 65 1HD2 LEU 65 109.325 -4.764 -4.764 485 2HD2 LEU 65 3HD2 LEU 65 109.375 -3.013 -3.013 486 3HD2 LEU 65 2HD2 LEU 65 108.975 -4.047 -4.047 487 H HIS 66 H HIS 66 113.239 -2.343 -2.343 488 HA HIS 66 HA HIS 66 114.374 -2.115 -2.115 489 1HB HIS 66 2HB HIS 66 113.123 -0.533 -0.533 490 2HB HIS 66 1HB HIS 66 114.503 0.301 0.301 491 HD1 HIS 66 HD1 HIS 66 113.836 1.725 1.725 492 HD2 HIS 66 HD2 HIS 66 111.543 -1.746 -1.746 493 HE1 HIS 66 HE1 HIS 66 112.217 1.814 1.814 494 H GLY 67 H GLY 67 115.541 -2.003 -2.003 495 1HA GLY 67 2HA GLY 67 117.944 -2.768 -2.768 496 2HA GLY 67 1HA GLY 67 118.276 -1.553 -1.553 497 H ALA 68 H ALA 68 116.109 -1.230 -1.230 498 HA ALA 68 HA ALA 68 117.090 1.377 1.377 499 1HB ALA 68 2HB ALA 68 115.153 -0.571 -0.571 500 2HB ALA 68 1HB ALA 68 115.986 0.123 0.123 501 3HB ALA 68 3HB ALA 68 115.156 1.174 1.174 502 H GLU 69 H GLU 69 117.513 1.103 1.103 503 HA GLU 69 HA GLU 69 120.180 -0.256 -0.256 504 1HB GLU 69 2HB GLU 69 119.496 2.437 2.437 505 2HB GLU 69 1HB GLU 69 119.725 1.904 1.904 506 1HG GLU 69 2HG GLU 69 121.955 1.770 1.770 507 2HG GLU 69 1HG GLU 69 121.798 0.844 0.844 508 HA PRO 70 HA PRO 70 117.185 -1.943 -1.943 509 1HB PRO 70 2HB PRO 70 117.240 -4.541 -4.541 510 2HB PRO 70 1HB PRO 70 116.080 -3.349 -3.349 511 1HG PRO 70 2HG PRO 70 118.655 -4.277 -4.277 512 2HG PRO 70 1HG PRO 70 117.082 -4.025 -4.025 513 1HD PRO 70 2HD PRO 70 119.060 -2.217 -2.217 514 2HD PRO 70 1HD PRO 70 117.349 -1.738 -1.738 515 H ASN 71 H ASN 71 120.285 -2.809 -2.809 516 HA ASN 71 HA ASN 71 121.046 -4.305 -4.305 517 1HB ASN 71 2HB ASN 71 121.462 -4.679 -4.679 518 2HB ASN 71 1HB ASN 71 123.004 -4.032 -4.032 519 1HD2 ASN 71 1HD2 ASN 71 121.223 -6.899 -6.899 520 2HD2 ASN 71 2HD2 ASN 71 122.091 -7.845 -7.845 521 H CYS 72 H CYS 72 122.324 -1.766 -1.766 522 HA CYS 72 HA CYS 72 124.443 -0.903 -0.903 523 1HB CYS 72 2HB CYS 72 122.963 -0.050 -0.050 524 2HB CYS 72 1HB CYS 72 123.585 1.313 1.313 525 HG CYS 72 HG CYS 72 125.854 0.772 0.772 526 H ALA 73 H ALA 73 124.489 0.379 0.379 527 HA ALA 73 HA ALA 73 121.972 1.797 1.797 528 1HB ALA 73 2HB ALA 73 123.968 0.109 0.109 529 2HB ALA 73 1HB ALA 73 122.968 1.284 1.284 530 3HB ALA 73 3HB ALA 73 122.211 -0.035 -0.035 531 H ASP 74 H ASP 74 122.768 3.448 3.448 532 HA ASP 74 HA ASP 74 124.698 5.214 5.214 533 1HB ASP 74 2HB ASP 74 122.419 5.616 5.616 534 2HB ASP 74 1HB ASP 74 123.637 5.897 5.897 535 HA PRO 75 HA PRO 75 128.113 3.812 3.812 536 1HB PRO 75 2HB PRO 75 129.798 5.924 5.924 537 2HB PRO 75 1HB PRO 75 129.471 4.650 4.650 538 1HG PRO 75 2HG PRO 75 128.365 7.403 7.403 539 2HG PRO 75 1HG PRO 75 128.810 6.450 6.450 540 1HD PRO 75 2HD PRO 75 126.238 6.798 6.798 541 2HD PRO 75 1HD PRO 75 126.791 5.391 5.391 542 H ALA 76 H ALA 76 126.704 7.026 7.026 543 HA ALA 76 HA ALA 76 127.985 8.051 8.051 544 1HB ALA 76 1HB ALA 76 125.312 8.104 8.104 545 2HB ALA 76 3HB ALA 76 125.278 8.406 8.406 546 3HB ALA 76 2HB ALA 76 126.253 9.431 9.431 547 H THR 77 H THR 77 125.118 5.903 5.903 548 HA THR 77 HA THR 77 126.345 4.657 4.657 549 HB THR 77 HB THR 77 124.364 5.031 5.031 550 HG1 THR 77 HG1 THR 77 122.489 5.820 5.820 551 1HG2 THR 77 2HG2 THR 77 125.891 7.061 7.061 552 2HG2 THR 77 1HG2 THR 77 124.475 7.594 7.594 553 3HG2 THR 77 3HG2 THR 77 124.370 7.359 7.359 554 H LEU 78 H LEU 78 126.241 3.628 3.628 555 HA LEU 78 HA LEU 78 125.406 1.860 1.860 556 1HB LEU 78 2HB LEU 78 126.285 1.120 1.120 557 2HB LEU 78 1HB LEU 78 125.060 -0.025 -0.025 558 HG LEU 78 HG LEU 78 127.646 0.728 0.728 559 1HD1 LEU 78 3HD1 LEU 78 126.924 -1.368 -1.368 560 2HD1 LEU 78 2HD1 LEU 78 127.061 -2.089 -2.089 561 3HD1 LEU 78 1HD1 LEU 78 128.422 -1.203 -1.203 562 1HD2 LEU 78 1HD2 LEU 78 125.106 -0.382 -0.382 563 2HD2 LEU 78 3HD2 LEU 78 126.358 0.549 0.549 564 3HD2 LEU 78 2HD2 LEU 78 126.587 -1.179 -1.179 565 H THR 79 H THR 79 123.265 3.422 3.422 566 HA THR 79 HA THR 79 120.994 2.169 2.169 567 HB THR 79 HB THR 79 121.149 4.275 4.275 568 HG1 THR 79 HG1 THR 79 121.735 5.587 5.587 569 1HG2 THR 79 2HG2 THR 79 118.909 3.173 3.173 570 2HG2 THR 79 1HG2 THR 79 119.015 3.817 3.817 571 3HG2 THR 79 3HG2 THR 79 118.948 4.918 4.918 572 H ARG 80 H ARG 80 120.504 0.133 0.133 573 HA ARG 80 HA ARG 80 120.671 -0.510 -0.510 574 1HB ARG 80 2HB ARG 80 120.913 -1.932 -1.932 575 2HB ARG 80 1HB ARG 80 119.180 -2.147 -2.147 576 1HG ARG 80 2HG ARG 80 120.478 -3.959 -3.959 577 2HG ARG 80 1HG ARG 80 119.557 -3.021 -3.021 578 1HD ARG 80 2HD ARG 80 121.450 -2.255 -2.255 579 2HD ARG 80 1HD ARG 80 122.267 -1.969 -1.969 580 HE ARG 80 HE ARG 80 121.881 -4.801 -4.801 581 1HH1 ARG 80 1HH2 ARG 80 123.968 -2.493 -2.493 582 2HH1 ARG 80 2HH2 ARG 80 125.410 -3.173 -3.173 583 1HH2 ARG 80 2HH1 ARG 80 123.717 -5.466 -5.466 584 2HH2 ARG 80 1HH1 ARG 80 125.264 -4.846 -4.846 585 HA PRO 81 HA PRO 81 116.625 0.940 0.940 586 1HB PRO 81 2HB PRO 81 116.127 -0.644 -0.644 587 2HB PRO 81 1HB PRO 81 117.217 0.755 0.755 588 1HG PRO 81 2HG PRO 81 117.870 -2.138 -2.138 589 2HG PRO 81 1HG PRO 81 118.658 -0.915 -0.915 590 1HD PRO 81 2HD PRO 81 119.693 -1.707 -1.707 591 2HD PRO 81 1HD PRO 81 119.846 -0.028 -0.028 592 H VAL 82 H VAL 82 117.412 -2.224 -2.224 593 HA VAL 82 HA VAL 82 114.821 -3.495 -3.495 594 HB VAL 82 HB VAL 82 117.421 -3.872 -3.872 595 1HG1 VAL 82 3HG1 VAL 82 114.912 -5.539 -5.539 596 2HG1 VAL 82 2HG1 VAL 82 116.515 -5.995 -5.995 597 3HG1 VAL 82 1HG1 VAL 82 115.711 -4.576 -4.576 598 1HG2 VAL 82 3HG2 VAL 82 115.933 -5.144 -5.144 599 2HG2 VAL 82 2HG2 VAL 82 117.642 -4.727 -4.727 600 3HG2 VAL 82 1HG2 VAL 82 117.018 -6.151 -6.151 601 H HIS 83 H HIS 83 116.478 -1.523 -1.523 602 HA HIS 83 HA HIS 83 114.710 -1.914 -1.914 603 1HB HIS 83 2HB HIS 83 116.224 0.558 0.558 604 2HB HIS 83 1HB HIS 83 115.557 0.322 0.322 605 HD2 HIS 83 HD2 HIS 83 117.582 -0.596 -0.596 606 HE1 HIS 83 HE1 HIS 83 119.701 -2.870 -2.870 607 HE2 HIS 83 HE2 HIS 83 119.640 -2.085 -2.085 608 H ASP 84 H ASP 84 114.586 0.309 0.309 609 HA ASP 84 HA ASP 84 112.438 1.957 1.957 610 1HB ASP 84 2HB ASP 84 113.582 0.753 0.753 611 2HB ASP 84 1HB ASP 84 112.114 1.708 1.708 612 H ALA 85 H ALA 85 112.114 -1.098 -1.098 613 HA ALA 85 HA ALA 85 109.335 -1.256 -1.256 614 1HB ALA 85 3HB ALA 85 111.191 -2.829 -2.829 615 2HB ALA 85 2HB ALA 85 111.112 -3.592 -3.592 616 3HB ALA 85 1HB ALA 85 109.696 -3.597 -3.597 617 H ALA 86 H ALA 86 111.319 -2.640 -2.640 618 HA ALA 86 HA ALA 86 109.099 -3.288 -3.288 619 1HB ALA 86 2HB ALA 86 111.835 -3.711 -3.711 620 2HB ALA 86 1HB ALA 86 111.668 -2.656 -2.656 621 3HB ALA 86 3HB ALA 86 110.799 -4.185 -4.185 622 H ARG 87 H ARG 87 111.171 -0.425 -0.425 623 HA ARG 87 HA ARG 87 110.676 1.007 1.007 624 1HB ARG 87 2HB ARG 87 111.952 1.501 1.501 625 2HB ARG 87 1HB ARG 87 110.463 2.318 2.318 626 1HG ARG 87 2HG ARG 87 111.812 2.893 2.893 627 2HG ARG 87 1HG ARG 87 112.288 3.731 3.731 628 1HD ARG 87 2HD ARG 87 109.364 3.636 3.636 629 2HD ARG 87 1HD ARG 87 110.277 4.607 4.607 630 HE ARG 87 HE ARG 87 111.290 5.792 5.792 631 1HH1 ARG 87 2HH1 ARG 87 108.075 5.616 5.616 632 2HH1 ARG 87 1HH1 ARG 87 107.704 5.685 5.685 633 1HH2 ARG 87 1HH2 ARG 87 110.979 5.136 5.136 634 2HH2 ARG 87 2HH2 ARG 87 109.351 5.418 5.418 635 H GLU 88 H GLU 88 108.469 0.717 0.717 636 HA GLU 88 HA GLU 88 106.403 2.261 2.261 637 1HB GLU 88 2HB GLU 88 107.214 2.826 2.826 638 2HB GLU 88 1HB GLU 88 106.363 1.368 1.368 639 1HG GLU 88 2HG GLU 88 104.282 2.267 2.267 640 2HG GLU 88 1HG GLU 88 104.876 3.299 3.299 641 H GLY 89 H GLY 89 107.315 -0.921 -0.921 642 1HA GLY 89 2HA GLY 89 106.175 -2.890 -2.890 643 2HA GLY 89 1HA GLY 89 104.722 -1.925 -1.925 644 H PHE 90 H PHE 90 106.635 -1.944 -1.944 645 HA PHE 90 HA PHE 90 104.212 -2.923 -2.923 646 1HB PHE 90 2HB PHE 90 105.711 -0.694 -0.694 647 2HB PHE 90 1HB PHE 90 106.560 -1.779 -1.779 648 HD1 PHE 90 HD1 PHE 90 105.017 -3.201 -3.201 649 HD2 PHE 90 HD2 PHE 90 103.808 0.416 0.416 650 HE1 PHE 90 HE1 PHE 90 103.222 -2.889 -2.889 651 HE2 PHE 90 HE2 PHE 90 102.019 0.734 0.734 652 HZ PHE 90 HZ PHE 90 101.727 -0.919 -0.919 653 H LEU 91 H LEU 91 104.752 -5.194 -5.194 654 HA LEU 91 HA LEU 91 107.202 -6.469 -6.469 655 1HB LEU 91 2HB LEU 91 104.555 -7.138 -7.138 656 2HB LEU 91 1HB LEU 91 104.986 -8.176 -8.176 657 HG LEU 91 HG LEU 91 106.627 -7.777 -7.777 658 1HD1 LEU 91 2HD1 LEU 91 104.863 -10.003 -10.003 659 2HD1 LEU 91 1HD1 LEU 91 106.138 -10.291 -10.291 660 3HD1 LEU 91 3HD1 LEU 91 104.820 -9.185 -9.185 661 1HD2 LEU 91 2HD2 LEU 91 107.427 -8.559 -8.559 662 2HD2 LEU 91 1HD2 LEU 91 108.379 -8.634 -8.634 663 3HD2 LEU 91 3HD2 LEU 91 107.413 -10.021 -10.021 664 H ASP 92 H ASP 92 104.397 -6.041 -6.041 665 HA ASP 92 HA ASP 92 105.152 -7.457 -7.457 666 1HB ASP 92 2HB ASP 92 104.163 -4.588 -4.588 667 2HB ASP 92 1HB ASP 92 103.935 -5.742 -5.742 668 H THR 93 H THR 93 106.487 -4.344 -4.344 669 HA THR 93 HA THR 93 108.133 -3.811 -3.811 670 HB THR 93 HB THR 93 108.384 -3.112 -3.112 671 HG1 THR 93 HG1 THR 93 107.166 -1.935 -1.935 672 1HG2 THR 93 3HG2 THR 93 110.284 -2.756 -2.756 673 2HG2 THR 93 2HG2 THR 93 109.515 -1.187 -1.187 674 3HG2 THR 93 1HG2 THR 93 110.281 -2.000 -2.000 675 H LEU 94 H LEU 94 108.790 -5.548 -5.548 676 HA LEU 94 HA LEU 94 111.530 -6.182 -6.182 677 1HB LEU 94 2HB LEU 94 109.293 -7.472 -7.472 678 2HB LEU 94 1HB LEU 94 110.941 -8.095 -8.095 679 HG LEU 94 HG LEU 94 111.277 -5.367 -5.367 680 1HD1 LEU 94 3HD1 LEU 94 108.788 -5.238 -5.238 681 2HD1 LEU 94 2HD1 LEU 94 108.972 -6.327 -6.327 682 3HD1 LEU 94 1HD1 LEU 94 109.725 -4.732 -4.732 683 1HD2 LEU 94 2HD2 LEU 94 111.011 -7.575 -7.575 684 2HD2 LEU 94 1HD2 LEU 94 112.473 -7.204 -7.204 685 3HD2 LEU 94 3HD2 LEU 94 111.840 -6.038 -6.038 686 H VAL 95 H VAL 95 108.624 -8.225 -8.225 687 HA VAL 95 HA VAL 95 109.582 -10.522 -10.522 688 HB VAL 95 HB VAL 95 107.294 -8.845 -8.845 689 1HG1 VAL 95 2HG1 VAL 95 108.171 -11.665 -11.665 690 2HG1 VAL 95 1HG1 VAL 95 106.443 -11.414 -11.414 691 3HG1 VAL 95 3HG1 VAL 95 107.266 -10.643 -10.643 692 1HG2 VAL 95 3HG2 VAL 95 107.578 -10.560 -10.560 693 2HG2 VAL 95 2HG2 VAL 95 106.872 -8.950 -8.950 694 3HG2 VAL 95 1HG2 VAL 95 106.005 -10.353 -10.353 695 H VAL 96 H VAL 96 109.084 -7.452 -7.452 696 HA VAL 96 HA VAL 96 109.997 -8.365 -8.365 697 HB VAL 96 HB VAL 96 110.274 -5.584 -5.584 698 1HG1 VAL 96 1HG1 VAL 96 110.428 -6.800 -6.800 699 2HG1 VAL 96 3HG1 VAL 96 109.331 -5.420 -5.420 700 3HG1 VAL 96 2HG1 VAL 96 111.014 -5.233 -5.233 701 1HG2 VAL 96 2HG2 VAL 96 107.894 -7.165 -7.165 702 2HG2 VAL 96 1HG2 VAL 96 108.037 -5.471 -5.471 703 3HG2 VAL 96 3HG2 VAL 96 107.823 -5.902 -5.902 704 H LEU 97 H LEU 97 111.666 -6.488 -6.488 705 HA LEU 97 HA LEU 97 114.248 -6.309 -6.309 706 1HB LEU 97 2HB LEU 97 113.194 -6.825 -6.825 707 2HB LEU 97 1HB LEU 97 114.879 -6.420 -6.420 708 HG LEU 97 HG LEU 97 112.486 -4.721 -4.721 709 1HD1 LEU 97 1HD1 LEU 97 114.369 -4.765 -4.765 710 2HD1 LEU 97 3HD1 LEU 97 113.897 -3.190 -3.190 711 3HD1 LEU 97 2HD1 LEU 97 112.666 -4.310 -4.310 712 1HD2 LEU 97 1HD2 LEU 97 115.351 -4.690 -4.690 713 2HD2 LEU 97 3HD2 LEU 97 113.970 -3.951 -3.951 714 3HD2 LEU 97 2HD2 LEU 97 114.719 -3.141 -3.141 715 H HIS 98 H HIS 98 113.143 -8.917 -8.917 716 HA HIS 98 HA HIS 98 115.445 -10.583 -10.583 717 1HB HIS 98 2HB HIS 98 113.502 -10.479 -10.479 718 2HB HIS 98 1HB HIS 98 112.690 -11.595 -11.595 719 HD1 HIS 98 HD1 HIS 98 113.825 -12.328 -12.328 720 HD2 HIS 98 HD2 HIS 98 115.684 -13.164 -13.164 721 HE1 HIS 98 HE1 HIS 98 115.411 -14.259 -14.259 722 H ARG 99 H ARG 99 112.434 -10.208 -10.208 723 HA ARG 99 HA ARG 99 112.640 -12.669 -12.669 724 1HB ARG 99 2HB ARG 99 110.516 -11.512 -11.512 725 2HB ARG 99 1HB ARG 99 111.142 -10.066 -10.066 726 1HG ARG 99 2HG ARG 99 111.352 -11.253 -11.253 727 2HG ARG 99 1HG ARG 99 110.889 -12.773 -12.773 728 1HD ARG 99 2HD ARG 99 108.728 -11.421 -11.421 729 2HD ARG 99 1HD ARG 99 109.179 -10.405 -10.405 730 HE ARG 99 HE ARG 99 109.218 -12.509 -12.509 731 1HH1 ARG 99 2HH1 ARG 99 106.461 -11.841 -11.841 732 2HH1 ARG 99 1HH1 ARG 99 105.931 -13.445 -13.445 733 1HH2 ARG 99 1HH2 ARG 99 109.067 -14.862 -14.862 734 2HH2 ARG 99 2HH2 ARG 99 107.417 -15.154 -15.154 735 H ALA 100 H ALA 100 114.537 -9.895 -9.895 736 HA ALA 100 HA ALA 100 115.505 -10.568 -10.568 737 1HB ALA 100 2HB ALA 100 114.617 -7.850 -7.850 738 2HB ALA 100 1HB ALA 100 115.388 -8.145 -8.145 739 3HB ALA 100 3HB ALA 100 113.800 -8.836 -8.836 740 H GLY 101 H GLY 101 116.966 -11.265 -11.265 741 1HA GLY 101 2HA GLY 101 119.048 -11.009 -11.009 742 2HA GLY 101 1HA GLY 101 119.456 -10.014 -10.014 743 H ALA 102 H ALA 102 118.861 -9.991 -9.991 744 HA ALA 102 HA ALA 102 119.405 -7.129 -7.129 745 1HB ALA 102 2HB ALA 102 116.953 -7.370 -7.370 746 2HB ALA 102 1HB ALA 102 116.699 -8.155 -8.155 747 3HB ALA 102 3HB ALA 102 117.240 -6.477 -6.477 748 H ARG 103 H ARG 103 121.099 -8.095 -8.095 749 HA ARG 103 HA ARG 103 120.789 -9.861 -9.861 750 1HB ARG 103 2HB ARG 103 122.926 -9.056 -9.056 751 2HB ARG 103 1HB ARG 103 122.539 -7.405 -7.405 752 1HG ARG 103 2HG ARG 103 123.295 -7.796 -7.796 753 2HG ARG 103 1HG ARG 103 122.207 -9.174 -9.174 754 1HD ARG 103 2HD ARG 103 124.791 -9.394 -9.394 755 2HD ARG 103 1HD ARG 103 124.724 -9.683 -9.683 756 HE ARG 103 HE ARG 103 122.593 -11.126 -11.126 757 1HH1 ARG 103 2HH1 ARG 103 125.937 -11.193 -11.193 758 2HH1 ARG 103 1HH1 ARG 103 126.164 -12.836 -12.836 759 1HH2 ARG 103 1HH2 ARG 103 122.933 -13.213 -13.213 760 2HH2 ARG 103 2HH2 ARG 103 124.469 -13.974 -13.974 761 H LEU 104 H LEU 104 119.370 -9.721 -9.721 762 HA LEU 104 HA LEU 104 118.528 -7.036 -7.036 763 1HB LEU 104 2HB LEU 104 117.467 -9.833 -9.833 764 2HB LEU 104 1HB LEU 104 116.682 -8.331 -8.331 765 HG LEU 104 HG LEU 104 117.265 -8.079 -8.079 766 1HD1 LEU 104 1HD1 LEU 104 117.121 -10.790 -10.790 767 2HD1 LEU 104 3HD1 LEU 104 115.480 -10.398 -10.398 768 3HD1 LEU 104 2HD1 LEU 104 116.840 -10.064 -10.064 769 1HD2 LEU 104 3HD2 LEU 104 114.698 -8.585 -8.585 770 2HD2 LEU 104 2HD2 LEU 104 115.369 -7.024 -7.024 771 3HD2 LEU 104 1HD2 LEU 104 114.750 -8.119 -8.119 772 H ASP 105 H ASP 105 120.532 -9.731 -9.731 773 HA ASP 105 HA ASP 105 120.407 -9.284 -9.284 774 1HB ASP 105 2HB ASP 105 120.744 -11.503 -11.503 775 2HB ASP 105 1HB ASP 105 122.318 -10.926 -10.926 776 H VAL 106 H VAL 106 121.074 -6.862 -6.862 777 HA VAL 106 HA VAL 106 124.047 -6.679 -6.679 778 HB VAL 106 HB VAL 106 122.635 -5.880 -5.880 779 1HG1 VAL 106 1HG1 VAL 106 122.108 -3.685 -3.685 780 2HG1 VAL 106 3HG1 VAL 106 121.983 -3.453 -3.453 781 3HG1 VAL 106 2HG1 VAL 106 120.924 -4.604 -4.604 782 1HG2 VAL 106 2HG2 VAL 106 124.997 -4.863 -4.863 783 2HG2 VAL 106 1HG2 VAL 106 124.680 -5.060 -5.060 784 3HG2 VAL 106 3HG2 VAL 106 124.189 -3.579 -3.579 785 H ARG 107 H ARG 107 124.341 -4.089 -4.089 786 HA ARG 107 HA ARG 107 122.691 -3.795 -3.795 787 1HB ARG 107 2HB ARG 107 125.718 -3.612 -3.612 788 2HB ARG 107 1HB ARG 107 124.755 -3.508 -3.508 789 1HG ARG 107 2HG ARG 107 124.014 -5.807 -5.807 790 2HG ARG 107 1HG ARG 107 124.790 -5.934 -5.934 791 1HD ARG 107 2HD ARG 107 126.803 -5.063 -5.063 792 2HD ARG 107 1HD ARG 107 125.952 -6.406 -6.406 793 HE ARG 107 HE ARG 107 126.501 -6.885 -6.885 794 1HH1 ARG 107 2HH1 ARG 107 126.441 -8.666 -8.666 795 2HH1 ARG 107 1HH1 ARG 107 128.064 -9.269 -9.269 796 1HH2 ARG 107 1HH2 ARG 107 129.127 -6.985 -6.985 797 2HH2 ARG 107 2HH2 ARG 107 129.580 -8.325 -8.325 798 H ASP 108 H ASP 108 122.131 -1.679 -1.679 799 HA ASP 108 HA ASP 108 122.725 0.359 0.359 800 1HB ASP 108 2HB ASP 108 121.048 -0.076 -0.076 801 2HB ASP 108 1HB ASP 108 121.598 1.590 1.590 802 H ALA 109 H ALA 109 125.223 -0.234 -0.234 803 HA ALA 109 HA ALA 109 127.232 0.632 0.632 804 1HB ALA 109 1HB ALA 109 125.296 2.941 2.941 805 2HB ALA 109 3HB ALA 109 126.947 3.170 3.170 806 3HB ALA 109 2HB ALA 109 126.653 2.612 2.612 807 H TRP 110 H TRP 110 125.170 2.705 2.705 808 HA TRP 110 HA TRP 110 126.328 2.571 2.571 809 1HB TRP 110 2HB TRP 110 123.372 2.343 2.343 810 2HB TRP 110 1HB TRP 110 124.039 2.944 2.944 811 HD1 TRP 110 HD1 TRP 110 122.311 4.969 4.969 812 HE1 TRP 110 HE1 TRP 110 123.238 7.078 7.078 813 HE3 TRP 110 HE3 TRP 110 127.148 3.489 3.489 814 HZ2 TRP 110 HZ2 TRP 110 125.675 8.012 8.012 815 HZ3 TRP 110 HZ3 TRP 110 128.729 5.014 5.014 816 HH2 TRP 110 HH2 TRP 110 128.005 7.270 7.270 817 H GLY 111 H GLY 111 123.644 0.350 0.350 818 1HA GLY 111 2HA GLY 111 124.805 -2.072 -2.072 819 2HA GLY 111 1HA GLY 111 124.314 -1.426 -1.426 820 H ARG 112 H ARG 112 121.969 -0.022 -0.022 821 HA ARG 112 HA ARG 112 119.932 -1.895 -1.895 822 1HB ARG 112 2HB ARG 112 120.128 0.691 0.691 823 2HB ARG 112 1HB ARG 112 118.608 -0.195 -0.195 824 1HG ARG 112 2HG ARG 112 118.907 -0.213 -0.213 825 2HG ARG 112 1HG ARG 112 120.207 0.957 0.957 826 1HD ARG 112 2HD ARG 112 117.765 1.669 1.669 827 2HD ARG 112 1HD ARG 112 117.528 1.610 1.610 828 HE ARG 112 HE ARG 112 119.947 2.918 2.918 829 1HH1 ARG 112 2HH1 ARG 112 118.012 3.473 3.473 830 2HH1 ARG 112 1HH1 ARG 112 117.627 5.123 5.123 831 1HH2 ARG 112 1HH2 ARG 112 118.939 4.993 4.993 832 2HH2 ARG 112 2HH2 ARG 112 118.160 5.986 5.986 833 H LEU 113 H LEU 113 118.828 -3.317 -3.317 834 HA LEU 113 HA LEU 113 120.022 -3.775 -3.775 835 1HB LEU 113 2HB LEU 113 119.423 -5.406 -5.406 836 2HB LEU 113 1HB LEU 113 118.384 -5.924 -5.924 837 HG LEU 113 HG LEU 113 120.707 -5.638 -5.638 838 1HD1 LEU 113 2HD1 LEU 113 121.382 -5.966 -5.966 839 2HD1 LEU 113 1HD1 LEU 113 122.312 -6.916 -6.916 840 3HD1 LEU 113 3HD1 LEU 113 122.283 -5.157 -5.157 841 1HD2 LEU 113 3HD2 LEU 113 119.106 -7.648 -7.648 842 2HD2 LEU 113 2HD2 LEU 113 120.792 -8.000 -8.000 843 3HD2 LEU 113 1HD2 LEU 113 120.215 -8.132 -8.132 844 HA PRO 114 HA PRO 114 116.152 -2.990 -2.990 845 1HB PRO 114 2HB PRO 114 115.841 -5.106 -5.106 846 2HB PRO 114 1HB PRO 114 117.018 -3.801 -3.801 847 1HG PRO 114 2HG PRO 114 117.440 -6.535 -6.535 848 2HG PRO 114 1HG PRO 114 118.452 -5.600 -5.600 849 1HD PRO 114 2HD PRO 114 119.001 -5.860 -5.860 850 2HD PRO 114 1HD PRO 114 119.457 -4.427 -4.427 851 H VAL 115 H VAL 115 116.489 -6.373 -6.373 852 HA VAL 115 HA VAL 115 113.645 -6.896 -6.896 853 HB VAL 115 HB VAL 115 115.438 -8.617 -8.617 854 1HG1 VAL 115 1HG1 VAL 115 116.979 -7.297 -7.297 855 2HG1 VAL 115 3HG1 VAL 115 116.061 -8.038 -8.038 856 3HG1 VAL 115 2HG1 VAL 115 116.963 -9.049 -9.049 857 1HG2 VAL 115 3HG2 VAL 115 113.117 -8.776 -8.776 858 2HG2 VAL 115 2HG2 VAL 115 114.199 -10.147 -10.147 859 3HG2 VAL 115 1HG2 VAL 115 114.285 -9.223 -9.223 860 H ASP 116 H ASP 116 116.092 -5.643 -5.643 861 HA ASP 116 HA ASP 116 114.452 -5.741 -5.741 862 1HB ASP 116 2HB ASP 116 117.037 -4.563 -4.563 863 2HB ASP 116 1HB ASP 116 116.307 -3.848 -3.848 864 H LEU 117 H LEU 117 115.358 -3.031 -3.031 865 HA LEU 117 HA LEU 117 113.836 -0.981 -0.981 866 1HB LEU 117 2HB LEU 117 115.363 -0.565 -0.565 867 2HB LEU 117 1HB LEU 117 114.479 -1.649 -1.649 868 HG LEU 117 HG LEU 117 112.599 -0.148 -0.148 869 1HD1 LEU 117 1HD1 LEU 117 114.050 1.373 1.373 870 2HD1 LEU 117 3HD1 LEU 117 112.698 2.045 2.045 871 3HD1 LEU 117 2HD1 LEU 117 112.461 0.620 0.620 872 1HD2 LEU 117 1HD2 LEU 117 115.325 1.055 1.055 873 2HD2 LEU 117 3HD2 LEU 117 114.123 0.632 0.632 874 3HD2 LEU 117 2HD2 LEU 117 113.905 2.076 2.076 875 H ALA 118 H ALA 118 112.784 -3.656 -3.656 876 HA ALA 118 HA ALA 118 110.097 -2.642 -2.642 877 1HB ALA 118 2HB ALA 118 111.639 -4.471 -4.471 878 2HB ALA 118 1HB ALA 118 110.790 -5.556 -5.556 879 3HB ALA 118 3HB ALA 118 109.881 -4.585 -4.585 880 H GLU 119 H GLU 119 111.494 -5.102 -5.102 881 HA GLU 119 HA GLU 119 108.995 -5.693 -5.693 882 1HB GLU 119 2HB GLU 119 111.685 -6.562 -6.562 883 2HB GLU 119 1HB GLU 119 111.358 -6.017 -6.017 884 1HG GLU 119 2HG GLU 119 109.054 -7.423 -7.423 885 2HG GLU 119 1HG GLU 119 110.352 -8.380 -8.380 886 H GLU 120 H GLU 120 111.488 -3.259 -3.259 887 HA GLU 120 HA GLU 120 110.740 -2.354 -2.354 888 1HB GLU 120 2HB GLU 120 112.875 -1.982 -1.982 889 2HB GLU 120 1HB GLU 120 111.987 -0.814 -0.814 890 1HG GLU 120 2HG GLU 120 111.430 0.426 0.426 891 2HG GLU 120 1HG GLU 120 112.493 -0.679 -0.679 892 H LEU 121 H LEU 121 109.800 -1.330 -1.330 893 HA LEU 121 HA LEU 121 108.029 0.779 0.779 894 1HB LEU 121 2HB LEU 121 109.234 -0.138 -0.138 895 2HB LEU 121 1HB LEU 121 107.520 0.194 0.194 896 HG LEU 121 HG LEU 121 108.806 2.248 2.248 897 1HD1 LEU 121 2HD1 LEU 121 110.764 1.641 1.641 898 2HD1 LEU 121 1HD1 LEU 121 109.786 1.822 1.822 899 3HD1 LEU 121 3HD1 LEU 121 110.139 3.229 3.229 900 1HD2 LEU 121 3HD2 LEU 121 107.016 1.988 1.988 901 2HD2 LEU 121 2HD2 LEU 121 106.770 2.898 2.898 902 3HD2 LEU 121 1HD2 LEU 121 107.840 3.530 3.530 903 H GLY 122 H GLY 122 107.719 -2.578 -2.578 904 1HA GLY 122 2HA GLY 122 105.726 -3.758 -3.758 905 2HA GLY 122 1HA GLY 122 104.780 -2.341 -2.341 906 H HIS 123 H HIS 123 107.252 -3.540 -3.540 907 HA HIS 123 HA HIS 123 105.092 -4.236 -4.236 908 1HB HIS 123 2HB HIS 123 108.087 -3.805 -3.805 909 2HB HIS 123 1HB HIS 123 106.984 -4.121 -4.121 910 HD1 HIS 123 HD1 HIS 123 104.655 -2.341 -2.341 911 HD2 HIS 123 HD2 HIS 123 108.553 -1.101 -1.101 912 HE1 HIS 123 HE1 HIS 123 104.621 0.193 0.193 913 H ARG 124 H ARG 124 105.382 -6.100 -6.100 914 HA ARG 124 HA ARG 124 107.189 -8.193 -8.193 915 1HB ARG 124 2HB ARG 124 105.264 -9.600 -9.600 916 2HB ARG 124 1HB ARG 124 105.342 -8.056 -8.056 917 1HG ARG 124 2HG ARG 124 103.120 -8.007 -8.007 918 2HG ARG 124 1HG ARG 124 103.775 -7.314 -7.314 919 1HD ARG 124 2HD ARG 124 102.662 -9.017 -9.017 920 2HD ARG 124 1HD ARG 124 103.991 -10.040 -10.040 921 HE ARG 124 HE ARG 124 102.462 -10.070 -10.070 922 1HH1 ARG 124 1HH2 ARG 124 100.124 -8.952 -8.952 923 2HH1 ARG 124 2HH2 ARG 124 99.298 -10.377 -10.377 924 1HH2 ARG 124 2HH1 ARG 124 102.031 -12.461 -12.461 925 2HH2 ARG 124 1HH1 ARG 124 100.380 -12.373 -12.373 926 H ASP 125 H ASP 125 104.455 -7.546 -7.546 927 HA ASP 125 HA ASP 125 104.550 -9.911 -9.911 928 1HB ASP 125 2HB ASP 125 103.011 -7.767 -7.767 929 2HB ASP 125 1HB ASP 125 104.171 -7.174 -7.174 930 H VAL 126 H VAL 126 106.364 -6.838 -6.838 931 HA VAL 126 HA VAL 126 108.058 -7.914 -7.914 932 HB VAL 126 HB VAL 126 108.598 -5.444 -5.444 933 1HG1 VAL 126 1HG1 VAL 126 109.414 -6.581 -6.581 934 2HG1 VAL 126 3HG1 VAL 126 109.104 -4.847 -4.847 935 3HG1 VAL 126 2HG1 VAL 126 110.306 -5.540 -5.540 936 1HG2 VAL 126 3HG2 VAL 126 106.440 -5.928 -5.928 937 2HG2 VAL 126 2HG2 VAL 126 106.352 -5.023 -5.023 938 3HG2 VAL 126 1HG2 VAL 126 107.192 -4.337 -4.337 939 H ALA 127 H ALA 127 108.451 -7.057 -7.057 940 HA ALA 127 HA ALA 127 111.152 -7.682 -7.682 941 1HB ALA 127 1HB ALA 127 109.176 -6.829 -6.829 942 2HB ALA 127 3HB ALA 127 109.056 -8.534 -8.534 943 3HB ALA 127 2HB ALA 127 110.559 -7.656 -7.656 944 H ARG 128 H ARG 128 108.354 -9.909 -9.909 945 HA ARG 128 HA ARG 128 109.878 -12.273 -12.273 946 1HB ARG 128 2HB ARG 128 107.462 -12.056 -12.056 947 2HB ARG 128 1HB ARG 128 107.214 -11.835 -11.835 948 1HG ARG 128 2HG ARG 128 108.064 -14.087 -14.087 949 2HG ARG 128 1HG ARG 128 108.402 -14.313 -14.313 950 1HD ARG 128 2HD ARG 128 106.304 -15.268 -15.268 951 2HD ARG 128 1HD ARG 128 105.783 -13.579 -13.579 952 HE ARG 128 HE ARG 128 105.883 -13.623 -13.623 953 1HH1 ARG 128 2HH1 ARG 128 103.685 -15.092 -15.092 954 2HH1 ARG 128 1HH1 ARG 128 103.334 -16.419 -16.419 955 1HH2 ARG 128 1HH2 ARG 128 106.093 -15.869 -15.869 956 2HH2 ARG 128 2HH2 ARG 128 104.704 -16.863 -16.863 957 H TYR 129 H TYR 129 108.462 -11.165 -11.165 958 HA TYR 129 HA TYR 129 109.673 -13.178 -13.178 959 1HB TYR 129 2HB TYR 129 107.889 -11.806 -11.806 960 2HB TYR 129 1HB TYR 129 108.790 -10.322 -10.322 961 HD1 TYR 129 HD2 TYR 129 110.798 -9.761 -9.761 962 HD2 TYR 129 HD1 TYR 129 108.333 -13.150 -13.150 963 HE1 TYR 129 HE2 TYR 129 111.857 -9.912 -9.912 964 HE2 TYR 129 HE1 TYR 129 109.395 -13.305 -13.305 965 HH TYR 129 HH TYR 129 112.022 -11.094 -11.094 966 H LEU 130 H LEU 130 110.851 -9.982 -9.982 967 HA LEU 130 HA LEU 130 113.267 -9.928 -9.928 968 1HB LEU 130 2HB LEU 130 112.158 -8.669 -8.669 969 2HB LEU 130 1HB LEU 130 113.896 -8.532 -8.532 970 HG LEU 130 HG LEU 130 111.732 -7.683 -7.683 971 1HD1 LEU 130 3HD1 LEU 130 112.075 -6.201 -6.201 972 2HD1 LEU 130 2HD1 LEU 130 113.781 -6.071 -6.071 973 3HD1 LEU 130 1HD1 LEU 130 112.547 -5.432 -5.432 974 1HD2 LEU 130 3HD2 LEU 130 114.693 -8.027 -8.027 975 2HD2 LEU 130 2HD2 LEU 130 113.441 -8.239 -8.239 976 3HD2 LEU 130 1HD2 LEU 130 113.972 -6.618 -6.618 977 H ARG 131 H ARG 131 112.441 -11.394 -11.394 978 HA ARG 131 HA ARG 131 115.100 -12.098 -12.098 979 1HB ARG 131 2HB ARG 131 113.437 -12.154 -12.154 980 2HB ARG 131 1HB ARG 131 112.290 -12.978 -12.978 981 1HG ARG 131 2HG ARG 131 113.652 -15.043 -15.043 982 2HG ARG 131 1HG ARG 131 114.786 -14.216 -14.216 983 1HD ARG 131 2HD ARG 131 113.168 -14.014 -14.014 984 2HD ARG 131 1HD ARG 131 111.832 -14.411 -14.411 985 HE ARG 131 HE ARG 131 113.687 -16.567 -16.567 986 1HH1 ARG 131 1HH2 ARG 131 113.602 -15.814 -15.814 987 2HH1 ARG 131 2HH2 ARG 131 112.340 -16.856 -16.856 988 1HH2 ARG 131 2HH1 ARG 131 111.136 -17.571 -17.571 989 2HH2 ARG 131 1HH1 ARG 131 110.953 -17.858 -17.858 990 H ALA 132 H ALA 132 112.823 -13.558 -13.558 991 HA ALA 132 HA ALA 132 114.259 -16.112 -16.112 992 1HB ALA 132 3HB ALA 132 111.730 -15.079 -15.079 993 2HB ALA 132 2HB ALA 132 112.492 -15.455 -15.455 994 3HB ALA 132 1HB ALA 132 112.312 -16.714 -16.714 995 H ALA 133 H ALA 133 114.038 -13.109 -13.109 996 HA ALA 133 HA ALA 133 115.897 -14.092 -14.092 997 1HB ALA 133 3HB ALA 133 113.895 -12.685 -12.685 998 2HB ALA 133 2HB ALA 133 114.615 -11.388 -11.388 999 3HB ALA 133 1HB ALA 133 115.388 -11.920 -11.920 1000 H ALA 134 H ALA 134 116.030 -12.416 -12.416 1001 HA ALA 134 HA ALA 134 118.865 -11.633 -11.633 1002 1HB ALA 134 2HB ALA 134 116.579 -10.041 -10.041 1003 2HB ALA 134 1HB ALA 134 117.699 -9.974 -9.974 1004 3HB ALA 134 3HB ALA 134 118.234 -9.505 -9.505 1005 H GLY 135 H GLY 135 116.515 -12.235 -12.235 1006 1HA GLY 135 2HA GLY 135 116.841 -13.171 -13.171 1007 2HA GLY 135 1HA GLY 135 117.979 -14.249 -14.249 1008 H GLY 136 H GLY 136 120.072 -14.081 -14.081 1009 1HA GLY 136 2HA GLY 136 121.812 -12.082 -12.082 1010 2HA GLY 136 1HA GLY 136 120.863 -11.772 -11.772 1011 H THR 137 H THR 137 121.875 -14.852 -14.852 1012 HA THR 137 HA THR 137 122.554 -15.996 -15.996 1013 HB THR 137 HB THR 137 121.754 -17.237 -17.237 1014 HG1 THR 137 HG1 THR 137 123.328 -18.911 -18.911 1015 1HG2 THR 137 3HG2 THR 137 123.042 -15.898 -15.898 1016 2HG2 THR 137 2HG2 THR 137 124.516 -16.686 -16.686 1017 3HG2 THR 137 1HG2 THR 137 123.244 -17.637 -17.637 1018 H ARG 138 H ARG 138 124.545 -16.193 -16.193 1019 HA ARG 138 HA ARG 138 127.062 -15.620 -15.620 1020 1HB ARG 138 2HB ARG 138 125.593 -13.462 -13.462 1021 2HB ARG 138 1HB ARG 138 126.585 -13.746 -13.746 1022 1HG ARG 138 2HG ARG 138 127.750 -12.215 -12.215 1023 2HG ARG 138 1HG ARG 138 128.610 -13.752 -13.752 1024 1HD ARG 138 2HD ARG 138 127.753 -14.421 -14.421 1025 2HD ARG 138 1HD ARG 138 126.555 -13.109 -13.109 1026 HE ARG 138 HE ARG 138 129.042 -11.853 -11.853 1027 1HH1 ARG 138 2HH1 ARG 138 127.031 -11.688 -11.688 1028 2HH1 ARG 138 1HH1 ARG 138 128.087 -12.057 -12.057 1029 1HH2 ARG 138 1HH2 ARG 138 130.617 -13.300 -13.300 1030 2HH2 ARG 138 2HH2 ARG 138 130.118 -12.975 -12.975 1031 H GLY 139 H GLY 139 125.731 -17.652 -17.652 1032 1HA GLY 139 2HA GLY 139 128.016 -18.119 -18.119 1033 2HA GLY 139 1HA GLY 139 126.514 -17.769 -17.769 1034 H SER 140 H SER 140 126.588 -19.988 -19.988 1035 HA SER 140 HA SER 140 125.479 -21.914 -21.914 1036 1HB SER 140 2HB SER 140 127.515 -22.575 -22.575 1037 2HB SER 140 1HB SER 140 126.977 -23.611 -23.611 1038 HG SER 140 HG SER 140 128.935 -21.785 -21.785 1039 H ASN 141 H ASN 141 123.564 -20.851 -20.851 1040 HA ASN 141 HA ASN 141 122.982 -22.703 -22.703 1041 1HB ASN 141 2HB ASN 141 123.850 -20.225 -20.225 1042 2HB ASN 141 1HB ASN 141 122.157 -19.832 -19.832 1043 1HD2 ASN 141 1HD2 ASN 141 123.497 -19.650 -19.650 1044 2HD2 ASN 141 2HD2 ASN 141 122.697 -20.737 -20.737 1045 H HIS 142 H HIS 142 121.459 -19.983 -19.983 1046 HA HIS 142 HA HIS 142 119.037 -21.714 -21.714 1047 1HB HIS 142 2HB HIS 142 119.526 -18.978 -18.978 1048 2HB HIS 142 1HB HIS 142 118.185 -19.110 -19.110 1049 HD1 HIS 142 HD1 HIS 142 116.154 -19.142 -19.142 1050 HD2 HIS 142 HD2 HIS 142 119.111 -21.718 -21.718 1051 HE1 HIS 142 HE1 HIS 142 115.136 -20.400 -20.400 1052 H ALA 143 H ALA 143 121.302 -21.507 -21.507 1053 HA ALA 143 HA ALA 143 119.799 -20.504 -20.504 1054 1HB ALA 143 2HB ALA 143 121.828 -19.077 -19.077 1055 2HB ALA 143 1HB ALA 143 122.640 -19.828 -19.828 1056 3HB ALA 143 3HB ALA 143 121.241 -18.786 -18.786 1057 H ARG 144 H ARG 144 120.863 -21.333 -21.333 1058 HA ARG 144 HA ARG 144 121.700 -23.160 -23.160 1059 1HB ARG 144 2HB ARG 144 123.621 -22.243 -22.243 1060 2HB ARG 144 1HB ARG 144 123.816 -23.978 -23.978 1061 1HG ARG 144 2HG ARG 144 125.010 -23.437 -23.437 1062 2HG ARG 144 1HG ARG 144 123.467 -23.007 -23.007 1063 1HD ARG 144 2HD ARG 144 124.775 -21.048 -21.048 1064 2HD ARG 144 1HD ARG 144 123.827 -20.689 -20.689 1065 HE ARG 144 HE ARG 144 125.790 -21.359 -21.359 1066 1HH1 ARG 144 1HH2 ARG 144 126.878 -22.748 -22.748 1067 2HH1 ARG 144 2HH2 ARG 144 128.303 -21.791 -21.791 1068 1HH2 ARG 144 2HH1 ARG 144 127.343 -19.346 -19.346 1069 2HH2 ARG 144 1HH1 ARG 144 128.563 -19.858 -19.858 1070 H ILE 145 H ILE 145 122.392 -25.598 -25.598 1071 HA ILE 145 HA ILE 145 120.766 -26.805 -26.805 1072 HB ILE 145 HB ILE 145 119.823 -26.851 -26.851 1073 1HG1 ILE 145 2HG1 ILE 145 120.328 -29.279 -29.279 1074 2HG1 ILE 145 1HG1 ILE 145 118.832 -28.378 -28.378 1075 1HG2 ILE 145 1HG2 ILE 145 122.264 -27.417 -27.417 1076 2HG2 ILE 145 3HG2 ILE 145 121.782 -29.078 -29.078 1077 3HG2 ILE 145 2HG2 ILE 145 120.871 -28.123 -28.123 1078 1HD1 ILE 145 3HD1 ILE 145 118.995 -29.179 -29.179 1079 2HD1 ILE 145 2HD1 ILE 145 120.116 -30.383 -30.383 1080 3HD1 ILE 145 1HD1 ILE 145 118.457 -30.327 -30.327 1081 H ASP 146 H ASP 146 123.502 -26.305 -26.305 1082 HA ASP 146 HA ASP 146 125.472 -27.445 -27.445 1083 1HB ASP 146 2HB ASP 146 123.272 -29.106 -29.106 1084 2HB ASP 146 1HB ASP 146 124.398 -30.142 -30.142 1085 H ALA 147 H ALA 147 125.468 -26.656 -26.656 1086 HA ALA 147 HA ALA 147 125.661 -28.508 -28.508 1087 1HB ALA 147 1HB ALA 147 126.910 -25.893 -25.893 1088 2HB ALA 147 3HB ALA 147 127.628 -26.773 -26.773 1089 3HB ALA 147 2HB ALA 147 125.926 -26.316 -26.316 1090 H ALA 148 H ALA 148 127.200 -30.027 -30.027 1091 HA ALA 148 HA ALA 148 129.113 -31.417 -31.417 1092 1HB ALA 148 3HB ALA 148 129.941 -28.813 -28.813 1093 2HB ALA 148 2HB ALA 148 130.559 -29.492 -29.492 1094 3HB ALA 148 1HB ALA 148 131.044 -30.190 -30.190 1095 H GLU 149 H GLU 149 130.738 -32.231 -32.231 1096 HA GLU 149 HA GLU 149 128.984 -32.914 -32.914 1097 1HB GLU 149 2HB GLU 149 130.043 -34.695 -34.695 1098 2HB GLU 149 1HB GLU 149 131.629 -34.087 -34.087 1099 1HG GLU 149 2HG GLU 149 131.457 -34.927 -34.927 1100 2HG GLU 149 1HG GLU 149 129.713 -34.657 -34.657 1101 H GLY 150 H GLY 150 130.693 -30.362 -30.362 1102 1HA GLY 150 2HA GLY 150 132.063 -28.951 -28.951 1103 2HA GLY 150 1HA GLY 150 131.440 -29.841 -29.841 1104 HA PRO 151 HA PRO 151 135.964 -30.796 -30.796 1105 1HB PRO 151 2HB PRO 151 136.911 -29.690 -29.690 1106 2HB PRO 151 1HB PRO 151 136.799 -28.793 -28.793 1107 1HG PRO 151 2HG PRO 151 135.012 -28.718 -28.718 1108 2HG PRO 151 1HG PRO 151 135.493 -27.417 -27.417 1109 1HD PRO 151 2HD PRO 151 133.069 -28.698 -28.698 1110 2HD PRO 151 1HD PRO 151 133.821 -27.878 -27.878 1111 H SER 152 H SER 152 135.424 -30.527 -30.527 1112 HA SER 152 HA SER 152 135.168 -32.180 -32.180 1113 1HB SER 152 2HB SER 152 133.485 -32.816 -32.816 1114 2HB SER 152 1HB SER 152 134.307 -34.324 -34.324 1115 HG SER 152 HG SER 152 133.731 -33.753 -33.753 1116 H ASP 153 H ASP 153 137.518 -32.149 -32.149 1117 HA ASP 153 HA ASP 153 139.489 -33.394 -33.394 1118 1HB ASP 153 2HB ASP 153 138.572 -34.049 -34.049 1119 2HB ASP 153 1HB ASP 153 140.095 -34.675 -34.675 1120 H ILE 154 H ILE 154 138.496 -34.703 -34.703 1121 HA ILE 154 HA ILE 154 138.087 -37.542 -37.542 1122 HB ILE 154 HB ILE 154 135.942 -36.383 -36.383 1123 1HG1 ILE 154 2HG1 ILE 154 136.174 -38.097 -38.097 1124 2HG1 ILE 154 1HG1 ILE 154 136.829 -38.838 -38.838 1125 1HG2 ILE 154 2HG2 ILE 154 137.332 -34.974 -34.974 1126 2HG2 ILE 154 1HG2 ILE 154 136.641 -36.215 -36.215 1127 3HG2 ILE 154 3HG2 ILE 154 135.586 -35.182 -35.182 1128 1HD1 ILE 154 3HD1 ILE 154 134.526 -37.779 -37.779 1129 2HD1 ILE 154 2HD1 ILE 154 134.032 -38.144 -38.144 1130 3HD1 ILE 154 1HD1 ILE 154 134.655 -39.427 -39.427 1131 HA PRO 155 HA PRO 155 141.151 -37.074 -37.074 1132 1HB PRO 155 2HB PRO 155 143.383 -37.874 -37.874 1133 2HB PRO 155 1HB PRO 155 142.828 -36.189 -36.189 1134 1HG PRO 155 2HG PRO 155 142.644 -38.222 -38.222 1135 2HG PRO 155 1HG PRO 155 142.765 -36.463 -36.463 1136 1HD PRO 155 2HD PRO 155 140.432 -37.994 -37.994 1137 2HD PRO 155 1HD PRO 155 140.517 -36.233 -36.233 1138 H ASP 156 HN ASP 156 141.176 -38.860 -38.860 1139 HA ASP 156 HA ASP 156 140.811 -41.543 -41.543 1140 1HB ASP 156 2HB ASP 156 140.389 -40.168 -40.168 1141 2HB ASP 156 1HB ASP 156 140.778 -41.888 -41.888 Start of MODEL 9 1 1H MET 1 1H MET 1 100.760 15.215 15.215 2 2H MET 1 3H MET 1 99.766 16.031 16.031 3 3H MET 1 2H MET 1 99.277 15.867 15.867 4 HA MET 1 HA MET 1 100.090 18.114 18.114 5 1HB MET 1 2HB MET 1 102.490 16.495 16.495 6 2HB MET 1 1HB MET 1 102.551 18.237 18.237 7 1HG MET 1 2HG MET 1 100.579 18.425 18.425 8 2HG MET 1 1HG MET 1 100.888 16.742 16.742 9 1HE MET 1 3HE MET 1 100.713 18.842 18.842 10 2HE MET 1 2HE MET 1 101.392 17.337 17.337 11 3HE MET 1 1HE MET 1 102.171 18.869 18.869 12 H GLU 2 H GLU 2 101.781 19.168 19.168 13 HA GLU 2 HA GLU 2 101.690 17.814 17.814 14 1HB GLU 2 2HB GLU 2 102.880 20.417 20.417 15 2HB GLU 2 1HB GLU 2 102.787 19.968 19.968 16 1HG GLU 2 2HG GLU 2 100.430 20.030 20.030 17 2HG GLU 2 1HG GLU 2 100.329 19.943 19.943 18 HA PRO 3 HA PRO 3 105.722 16.065 16.065 19 1HB PRO 3 2HB PRO 3 106.573 16.598 16.598 20 2HB PRO 3 1HB PRO 3 105.330 15.385 15.385 21 1HG PRO 3 2HG PRO 3 105.011 18.182 18.182 22 2HG PRO 3 1HG PRO 3 104.137 16.716 16.716 23 1HD PRO 3 2HD PRO 3 103.106 18.560 18.560 24 2HD PRO 3 1HD PRO 3 102.707 16.830 16.830 25 H ALA 4 H ALA 4 107.278 17.091 17.091 26 HA ALA 4 HA ALA 4 108.021 19.866 19.866 27 1HB ALA 4 1HB ALA 4 108.176 18.418 18.418 28 2HB ALA 4 3HB ALA 4 109.528 17.572 17.572 29 3HB ALA 4 2HB ALA 4 109.669 19.285 19.285 30 H ALA 5 H ALA 5 110.626 20.204 20.204 31 HA ALA 5 HA ALA 5 111.306 19.497 19.497 32 1HB ALA 5 1HB ALA 5 112.436 21.146 21.146 33 2HB ALA 5 3HB ALA 5 113.473 20.756 20.756 34 3HB ALA 5 2HB ALA 5 111.973 21.647 21.647 35 H GLY 6 H GLY 6 112.588 18.708 18.708 36 1HA GLY 6 2HA GLY 6 113.284 16.282 16.282 37 2HA GLY 6 1HA GLY 6 114.150 16.492 16.492 38 H SER 7 H SER 7 116.109 15.885 15.885 39 HA SER 7 HA SER 7 118.112 16.429 16.429 40 1HB SER 7 2HB SER 7 117.415 18.435 18.435 41 2HB SER 7 1HB SER 7 117.463 19.322 19.322 42 HG SER 7 HG SER 7 119.499 18.042 18.042 43 H SER 8 H SER 8 118.858 18.265 18.265 44 HA SER 8 HA SER 8 116.809 18.946 18.946 45 1HB SER 8 2HB SER 8 118.285 17.208 17.208 46 2HB SER 8 1HB SER 8 116.711 16.842 16.842 47 HG SER 8 HG SER 8 119.128 15.792 15.792 48 H MET 9 H MET 9 117.642 20.796 20.796 49 HA MET 9 HA MET 9 120.178 21.880 21.880 50 1HB MET 9 2HB MET 9 117.844 22.236 22.236 51 2HB MET 9 1HB MET 9 119.318 22.663 22.663 52 1HG MET 9 2HG MET 9 119.926 24.296 24.296 53 2HG MET 9 1HG MET 9 118.804 23.656 23.656 54 1HE MET 9 3HE MET 9 116.667 24.422 24.422 55 2HE MET 9 2HE MET 9 116.048 25.944 25.944 56 3HE MET 9 1HE MET 9 117.646 25.891 25.891 57 H GLU 10 H GLU 10 119.198 19.433 19.433 58 HA GLU 10 HA GLU 10 122.051 18.992 18.992 59 1HB GLU 10 2HB GLU 10 121.463 19.100 19.100 60 2HB GLU 10 1HB GLU 10 121.241 20.646 20.646 61 1HG GLU 10 2HG GLU 10 118.841 18.989 18.989 62 2HG GLU 10 1HG GLU 10 119.325 19.300 19.300 63 HA PRO 11 HA PRO 11 120.512 14.847 14.847 64 1HB PRO 11 2HB PRO 11 122.649 13.565 13.565 65 2HB PRO 11 1HB PRO 11 122.674 14.214 14.214 66 1HG PRO 11 2HG PRO 11 123.869 15.319 15.319 67 2HG PRO 11 1HG PRO 11 124.463 15.373 15.373 68 1HD PRO 11 2HD PRO 11 123.222 17.467 17.467 69 2HD PRO 11 1HD PRO 11 123.320 17.279 17.279 70 H SER 12 H SER 12 118.833 15.336 15.336 71 HA SER 12 HA SER 12 119.609 14.696 14.696 72 1HB SER 12 2HB SER 12 117.998 16.604 16.604 73 2HB SER 12 1HB SER 12 116.814 15.393 15.393 74 HG SER 12 HG SER 12 118.870 16.254 16.254 75 H ALA 13 H ALA 13 116.699 13.947 13.947 76 HA ALA 13 HA ALA 13 115.405 11.974 11.974 77 1HB ALA 13 3HB ALA 13 118.137 11.486 11.486 78 2HB ALA 13 2HB ALA 13 117.574 10.111 10.111 79 3HB ALA 13 1HB ALA 13 116.735 10.560 10.560 80 H ASP 14 H ASP 14 116.066 13.117 13.117 81 HA ASP 14 HA ASP 14 116.119 10.663 10.663 82 1HB ASP 14 2HB ASP 14 116.258 13.620 13.620 83 2HB ASP 14 1HB ASP 14 116.519 12.302 12.302 84 H TRP 15 H TRP 15 113.743 11.771 11.771 85 HA TRP 15 HA TRP 15 111.780 12.727 12.727 86 1HB TRP 15 2HB TRP 15 111.603 11.486 11.486 87 2HB TRP 15 1HB TRP 15 110.250 12.254 12.254 88 HD1 TRP 15 HD1 TRP 15 113.279 14.111 14.111 89 HE1 TRP 15 HE1 TRP 15 113.510 16.242 16.242 90 HE3 TRP 15 HE3 TRP 15 109.820 13.130 13.130 91 HZ2 TRP 15 HZ2 TRP 15 112.374 17.389 17.389 92 HZ3 TRP 15 HZ3 TRP 15 109.412 14.761 14.761 93 HH2 TRP 15 HH2 TRP 15 110.684 16.888 16.888 94 H LEU 16 H LEU 16 112.748 9.563 9.563 95 HA LEU 16 HA LEU 16 110.575 7.947 7.947 96 1HB LEU 16 2HB LEU 16 112.468 6.219 6.219 97 2HB LEU 16 1HB LEU 16 112.360 6.992 6.992 98 HG LEU 16 HG LEU 16 113.990 8.616 8.616 99 1HD1 LEU 16 3HD1 LEU 16 114.795 5.705 5.705 100 2HD1 LEU 16 2HD1 LEU 16 115.881 7.001 7.001 101 3HD1 LEU 16 1HD1 LEU 16 114.488 6.585 6.585 102 1HD2 LEU 16 1HD2 LEU 16 114.390 7.049 7.049 103 2HD2 LEU 16 3HD2 LEU 16 114.184 8.790 8.790 104 3HD2 LEU 16 2HD2 LEU 16 115.678 8.019 8.019 105 H ALA 17 H ALA 17 113.135 9.339 9.339 106 HA ALA 17 HA ALA 17 112.292 7.831 7.831 107 1HB ALA 17 3HB ALA 17 114.616 8.941 8.941 108 2HB ALA 17 2HB ALA 17 114.021 10.242 10.242 109 3HB ALA 17 1HB ALA 17 114.265 8.630 8.630 110 H THR 18 H THR 18 112.220 11.267 11.267 111 HA THR 18 HA THR 18 110.965 12.430 12.430 112 HB THR 18 HB THR 18 109.833 13.458 13.458 113 HG1 THR 18 HG1 THR 18 112.008 13.801 13.801 114 1HG2 THR 18 2HG2 THR 18 110.799 14.520 14.520 115 2HG2 THR 18 1HG2 THR 18 112.292 14.577 14.577 116 3HG2 THR 18 3HG2 THR 18 110.854 15.415 15.415 117 H ALA 19 H ALA 19 109.295 11.004 11.004 118 HA ALA 19 HA ALA 19 106.650 11.308 11.308 119 1HB ALA 19 1HB ALA 19 107.996 9.753 9.753 120 2HB ALA 19 3HB ALA 19 106.334 9.343 9.343 121 3HB ALA 19 2HB ALA 19 106.731 10.974 10.974 122 H ALA 20 H ALA 20 109.002 8.619 8.619 123 HA ALA 20 HA ALA 20 107.378 6.635 6.635 124 1HB ALA 20 1HB ALA 20 110.329 7.315 7.315 125 2HB ALA 20 3HB ALA 20 109.646 5.834 5.834 126 3HB ALA 20 2HB ALA 20 109.570 6.133 6.133 127 H ALA 21 H ALA 21 109.559 9.001 9.001 128 HA ALA 21 HA ALA 21 108.973 8.392 8.392 129 1HB ALA 21 2HB ALA 21 110.165 10.537 10.537 130 2HB ALA 21 1HB ALA 21 109.428 11.129 11.129 131 3HB ALA 21 3HB ALA 21 110.678 9.888 9.888 132 H ARG 22 H ARG 22 107.180 10.293 10.293 133 HA ARG 22 HA ARG 22 105.312 11.318 11.318 134 1HB ARG 22 2HB ARG 22 105.607 11.662 11.662 135 2HB ARG 22 1HB ARG 22 104.387 12.493 12.493 136 1HG ARG 22 2HG ARG 22 107.101 12.702 12.702 137 2HG ARG 22 1HG ARG 22 106.935 13.439 13.439 138 1HD ARG 22 2HD ARG 22 106.401 15.096 15.096 139 2HD ARG 22 1HD ARG 22 104.927 14.692 14.692 140 HE ARG 22 HE ARG 22 104.287 13.192 13.192 141 1HH1 ARG 22 2HH1 ARG 22 107.019 12.743 12.743 142 2HH1 ARG 22 1HH1 ARG 22 106.972 13.727 13.727 143 1HH2 ARG 22 1HH2 ARG 22 104.201 15.538 15.538 144 2HH2 ARG 22 2HH2 ARG 22 105.376 15.302 15.302 145 H GLY 23 H GLY 23 105.499 8.358 8.358 146 1HA GLY 23 2HA GLY 23 104.022 6.615 6.615 147 2HA GLY 23 1HA GLY 23 102.823 7.629 7.629 148 H ARG 24 H ARG 24 104.590 7.630 7.630 149 HA ARG 24 HA ARG 24 101.959 8.104 8.104 150 1HB ARG 24 2HB ARG 24 104.080 9.900 9.900 151 2HB ARG 24 1HB ARG 24 104.282 9.319 9.319 152 1HG ARG 24 2HG ARG 24 102.828 11.271 11.271 153 2HG ARG 24 1HG ARG 24 101.870 9.844 9.844 154 1HD ARG 24 2HD ARG 24 100.776 9.830 9.830 155 2HD ARG 24 1HD ARG 24 102.077 10.733 10.733 156 HE ARG 24 HE ARG 24 100.294 11.983 11.983 157 1HH1 ARG 24 2HH1 ARG 24 100.661 11.884 11.884 158 2HH1 ARG 24 1HH1 ARG 24 100.936 13.579 13.579 159 1HH2 ARG 24 1HH2 ARG 24 101.288 14.242 14.242 160 2HH2 ARG 24 2HH2 ARG 24 101.293 14.914 14.914 161 H VAL 25 H VAL 25 102.844 5.545 5.545 162 HA VAL 25 HA VAL 25 104.733 4.418 4.418 163 HB VAL 25 HB VAL 25 101.821 3.630 3.630 164 1HG1 VAL 25 1HG1 VAL 25 103.272 2.488 2.488 165 2HG1 VAL 25 3HG1 VAL 25 104.098 1.726 1.726 166 3HG1 VAL 25 2HG1 VAL 25 102.368 1.473 1.473 167 1HG2 VAL 25 3HG2 VAL 25 103.862 3.918 3.918 168 2HG2 VAL 25 2HG2 VAL 25 102.375 2.992 2.992 169 3HG2 VAL 25 1HG2 VAL 25 103.843 2.190 2.190 170 H GLU 26 H GLU 26 101.399 5.100 5.100 171 HA GLU 26 HA GLU 26 101.652 4.556 4.556 172 1HB GLU 26 2HB GLU 26 100.184 6.663 6.663 173 2HB GLU 26 1HB GLU 26 99.979 6.545 6.545 174 1HG GLU 26 2HG GLU 26 99.725 4.079 4.079 175 2HG GLU 26 1HG GLU 26 98.366 5.195 5.195 176 H GLU 27 H GLU 27 102.712 7.515 7.515 177 HA GLU 27 HA GLU 27 103.506 8.919 8.919 178 1HB GLU 27 2HB GLU 27 102.963 9.911 9.911 179 2HB GLU 27 1HB GLU 27 104.470 9.229 9.229 180 1HG GLU 27 2HG GLU 27 105.359 11.229 11.229 181 2HG GLU 27 1HG GLU 27 105.360 10.502 10.502 182 H VAL 28 H VAL 28 105.185 6.767 6.767 183 HA VAL 28 HA VAL 28 107.808 7.167 7.167 184 HB VAL 28 HB VAL 28 106.912 4.928 4.928 185 1HG1 VAL 28 1HG1 VAL 28 109.293 5.247 5.247 186 2HG1 VAL 28 3HG1 VAL 28 109.527 6.361 6.361 187 3HG1 VAL 28 2HG1 VAL 28 109.156 4.667 4.667 188 1HG2 VAL 28 2HG2 VAL 28 107.463 7.832 7.832 189 2HG2 VAL 28 1HG2 VAL 28 106.134 6.827 6.827 190 3HG2 VAL 28 3HG2 VAL 28 107.758 6.595 6.595 191 H ARG 29 H ARG 29 105.289 4.636 4.636 192 HA ARG 29 HA ARG 29 106.577 2.634 2.634 193 1HB ARG 29 2HB ARG 29 103.722 3.673 3.673 194 2HB ARG 29 1HB ARG 29 104.246 2.107 2.107 195 1HG ARG 29 2HG ARG 29 104.628 2.973 2.973 196 2HG ARG 29 1HG ARG 29 103.245 2.035 2.035 197 1HD ARG 29 2HD ARG 29 105.814 0.920 0.920 198 2HD ARG 29 1HD ARG 29 105.632 0.951 0.951 199 HE ARG 29 HE ARG 29 103.230 0.040 0.040 200 1HH1 ARG 29 2HH1 ARG 29 106.187 -1.362 -1.362 201 2HH1 ARG 29 1HH1 ARG 29 105.813 -2.762 -2.762 202 1HH2 ARG 29 1HH2 ARG 29 102.766 -1.521 -1.521 203 2HH2 ARG 29 2HH2 ARG 29 103.870 -2.854 -2.854 204 H ALA 30 H ALA 30 104.921 5.579 5.579 205 HA ALA 30 HA ALA 30 105.481 5.036 5.036 206 1HB ALA 30 2HB ALA 30 104.087 7.031 7.031 207 2HB ALA 30 1HB ALA 30 104.750 7.662 7.662 208 3HB ALA 30 3HB ALA 30 103.595 6.329 6.329 209 H LEU 31 H LEU 31 106.519 7.588 7.588 210 HA LEU 31 HA LEU 31 108.453 8.918 8.918 211 1HB LEU 31 2HB LEU 31 108.171 8.107 8.107 212 2HB LEU 31 1HB LEU 31 109.651 8.920 8.920 213 HG LEU 31 HG LEU 31 106.821 9.969 9.969 214 1HD1 LEU 31 2HD1 LEU 31 109.124 10.515 10.515 215 2HD1 LEU 31 1HD1 LEU 31 108.044 11.842 11.842 216 3HD1 LEU 31 3HD1 LEU 31 107.403 10.404 10.404 217 1HD2 LEU 31 2HD2 LEU 31 109.481 10.917 10.917 218 2HD2 LEU 31 1HD2 LEU 31 107.931 10.814 10.814 219 3HD2 LEU 31 3HD2 LEU 31 108.202 12.078 12.078 220 H LEU 32 H LEU 32 109.228 6.151 6.151 221 HA LEU 32 HA LEU 32 111.896 5.738 5.738 222 1HB LEU 32 2HB LEU 32 110.061 4.577 4.577 223 2HB LEU 32 1HB LEU 32 110.214 3.333 3.333 224 HG LEU 32 HG LEU 32 112.735 4.554 4.554 225 1HD1 LEU 32 1HD1 LEU 32 110.772 3.104 3.104 226 2HD1 LEU 32 3HD1 LEU 32 112.405 2.442 2.442 227 3HD1 LEU 32 2HD1 LEU 32 112.118 4.127 4.127 228 1HD2 LEU 32 2HD2 LEU 32 112.672 2.827 2.827 229 2HD2 LEU 32 1HD2 LEU 32 113.532 2.259 2.259 230 3HD2 LEU 32 3HD2 LEU 32 111.882 1.722 1.722 231 H GLU 33 H GLU 33 109.000 4.151 4.151 232 HA GLU 33 HA GLU 33 110.453 2.820 2.820 233 1HB GLU 33 2HB GLU 33 107.530 3.561 3.561 234 2HB GLU 33 1HB GLU 33 108.131 2.416 2.416 235 1HG GLU 33 2HG GLU 33 109.115 1.048 1.048 236 2HG GLU 33 1HG GLU 33 108.412 2.158 2.158 237 H ALA 34 H ALA 34 109.597 6.100 6.100 238 HA ALA 34 HA ALA 34 109.284 6.655 6.655 239 1HB ALA 34 1HB ALA 34 108.237 7.726 7.726 240 2HB ALA 34 3HB ALA 34 109.552 8.852 8.852 241 3HB ALA 34 2HB ALA 34 108.307 8.581 8.581 242 H GLY 35 H GLY 35 111.856 6.503 6.503 243 1HA GLY 35 2HA GLY 35 114.028 6.745 6.745 244 2HA GLY 35 1HA GLY 35 113.516 8.429 8.429 245 H ALA 36 H ALA 36 112.480 7.889 7.889 246 HA ALA 36 HA ALA 36 114.510 9.071 9.071 247 1HB ALA 36 2HB ALA 36 112.030 7.699 7.699 248 2HB ALA 36 1HB ALA 36 113.175 7.144 7.144 249 3HB ALA 36 3HB ALA 36 112.818 8.864 8.864 250 H LEU 37 H LEU 37 116.413 8.370 8.370 251 HA LEU 37 HA LEU 37 117.582 5.858 5.858 252 1HB LEU 37 2HB LEU 37 118.308 8.188 8.188 253 2HB LEU 37 1HB LEU 37 119.334 6.752 6.752 254 HG LEU 37 HG LEU 37 118.474 7.976 7.976 255 1HD1 LEU 37 2HD1 LEU 37 120.407 9.068 9.068 256 2HD1 LEU 37 1HD1 LEU 37 120.945 9.019 9.019 257 3HD1 LEU 37 3HD1 LEU 37 119.480 9.902 9.902 258 1HD2 LEU 37 2HD2 LEU 37 119.626 5.717 5.717 259 2HD2 LEU 37 1HD2 LEU 37 120.442 6.880 6.880 260 3HD2 LEU 37 3HD2 LEU 37 121.042 6.590 6.590 261 HA PRO 38 HA PRO 38 116.378 3.274 3.274 262 1HB PRO 38 2HB PRO 38 118.524 1.580 1.580 263 2HB PRO 38 1HB PRO 38 117.315 1.514 1.514 264 1HG PRO 38 2HG PRO 38 120.048 2.680 2.680 265 2HG PRO 38 1HG PRO 38 119.174 1.830 1.830 266 1HD PRO 38 2HD PRO 38 119.473 4.553 4.553 267 2HD PRO 38 1HD PRO 38 118.145 3.727 3.727 268 H ASN 39 H ASN 39 119.883 4.013 4.013 269 HA ASN 39 HA ASN 39 119.619 4.259 4.259 270 1HB ASN 39 2HB ASN 39 121.575 3.332 3.332 271 2HB ASN 39 1HB ASN 39 122.284 4.629 4.629 272 1HD2 ASN 39 1HD2 ASN 39 119.775 2.331 2.331 273 2HD2 ASN 39 2HD2 ASN 39 120.744 1.619 1.619 274 H ALA 40 H ALA 40 118.784 6.302 6.302 275 HA ALA 40 HA ALA 40 120.311 8.556 8.556 276 1HB ALA 40 2HB ALA 40 117.556 7.845 7.845 277 2HB ALA 40 1HB ALA 40 117.729 9.353 9.353 278 3HB ALA 40 3HB ALA 40 118.281 9.254 9.254 279 HA PRO 41 HA PRO 41 121.215 9.164 9.164 280 1HB PRO 41 2HB PRO 41 123.503 10.605 10.605 281 2HB PRO 41 1HB PRO 41 123.457 8.832 8.832 282 1HG PRO 41 2HG PRO 41 123.501 10.769 10.769 283 2HG PRO 41 1HG PRO 41 124.301 9.197 9.197 284 1HD PRO 41 2HD PRO 41 122.017 9.598 9.598 285 2HD PRO 41 1HD PRO 41 122.462 8.044 8.044 286 H ASN 42 H ASN 42 120.852 10.991 10.991 287 HA ASN 42 HA ASN 42 120.501 13.630 13.630 288 1HB ASN 42 2HB ASN 42 118.413 11.985 11.985 289 2HB ASN 42 1HB ASN 42 118.516 12.788 12.788 290 1HD2 ASN 42 1HD2 ASN 42 116.309 13.693 13.693 291 2HD2 ASN 42 2HD2 ASN 42 116.363 15.112 15.112 292 H SER 43 H SER 43 120.117 15.354 15.354 293 HA SER 43 HA SER 43 122.306 15.073 15.073 294 1HB SER 43 2HB SER 43 120.963 17.118 17.118 295 2HB SER 43 1HB SER 43 120.457 17.315 17.315 296 HG SER 43 HG SER 43 122.333 18.307 18.307 297 H TYR 44 H TYR 44 120.531 13.055 13.055 298 HA TYR 44 HA TYR 44 119.241 14.038 14.038 299 1HB TYR 44 2HB TYR 44 118.119 12.837 12.837 300 2HB TYR 44 1HB TYR 44 118.023 11.643 11.643 301 HD1 TYR 44 HD2 TYR 44 117.508 12.995 12.995 302 HD2 TYR 44 HD1 TYR 44 116.149 14.054 14.054 303 HE1 TYR 44 HE2 TYR 44 115.595 14.224 14.224 304 HE2 TYR 44 HE1 TYR 44 114.236 15.282 15.282 305 HH TYR 44 HH TYR 44 113.916 16.454 16.454 306 H GLY 45 H GLY 45 121.650 12.089 12.089 307 1HA GLY 45 2HA GLY 45 122.928 10.322 10.322 308 2HA GLY 45 1HA GLY 45 122.459 10.927 10.927 309 H ARG 46 H ARG 46 119.965 9.961 9.961 310 HA ARG 46 HA ARG 46 119.659 7.332 7.332 311 1HB ARG 46 2HB ARG 46 117.674 9.597 9.597 312 2HB ARG 46 1HB ARG 46 117.189 7.966 7.966 313 1HG ARG 46 2HG ARG 46 118.040 8.165 8.165 314 2HG ARG 46 1HG ARG 46 119.429 9.106 9.106 315 1HD ARG 46 2HD ARG 46 118.382 10.951 10.951 316 2HD ARG 46 1HD ARG 46 117.171 10.746 10.746 317 HE ARG 46 HE ARG 46 116.400 8.897 8.897 318 1HH1 ARG 46 2HH1 ARG 46 114.650 11.205 11.205 319 2HH1 ARG 46 1HH1 ARG 46 114.645 12.040 12.040 320 1HH2 ARG 46 1HH2 ARG 46 117.470 10.426 10.426 321 2HH2 ARG 46 2HH2 ARG 46 116.245 11.603 11.603 322 H ARG 47 H ARG 47 119.925 5.987 5.987 323 HA ARG 47 HA ARG 47 119.225 6.571 6.571 324 1HB ARG 47 2HB ARG 47 120.139 4.366 4.366 325 2HB ARG 47 1HB ARG 47 118.949 3.790 3.790 326 1HG ARG 47 2HG ARG 47 121.160 3.675 3.675 327 2HG ARG 47 1HG ARG 47 120.228 4.939 4.939 328 1HD ARG 47 2HD ARG 47 121.952 6.346 6.346 329 2HD ARG 47 1HD ARG 47 121.494 6.227 6.227 330 HE ARG 47 HE ARG 47 122.919 3.960 3.960 331 1HH1 ARG 47 1HH2 ARG 47 124.184 4.861 4.861 332 2HH1 ARG 47 2HH2 ARG 47 125.606 5.679 5.679 333 1HH2 ARG 47 2HH1 ARG 47 124.454 6.004 6.004 334 2HH2 ARG 47 1HH1 ARG 47 125.756 6.332 6.332 335 HA PRO 48 HA PRO 48 114.901 5.873 5.873 336 1HB PRO 48 2HB PRO 48 114.501 3.715 3.715 337 2HB PRO 48 1HB PRO 48 115.040 5.304 5.304 338 1HG PRO 48 2HG PRO 48 116.647 2.862 2.862 339 2HG PRO 48 1HG PRO 48 116.774 3.992 3.992 340 1HD PRO 48 2HD PRO 48 118.459 4.071 4.071 341 2HD PRO 48 1HD PRO 48 117.964 5.543 5.543 342 H ILE 49 H ILE 49 113.048 4.183 4.183 343 HA ILE 49 HA ILE 49 111.960 2.638 2.638 344 HB ILE 49 HB ILE 49 114.737 1.414 1.414 345 1HG1 ILE 49 2HG1 ILE 49 112.242 1.169 1.169 346 2HG1 ILE 49 1HG1 ILE 49 113.913 1.348 1.348 347 1HG2 ILE 49 3HG2 ILE 49 113.256 0.714 0.714 348 2HG2 ILE 49 2HG2 ILE 49 112.112 0.099 0.099 349 3HG2 ILE 49 1HG2 ILE 49 113.726 -0.597 -0.597 350 1HD1 ILE 49 2HD1 ILE 49 114.238 -0.968 -0.968 351 2HD1 ILE 49 1HD1 ILE 49 112.495 -1.102 -1.102 352 3HD1 ILE 49 3HD1 ILE 49 113.550 -0.920 -0.920 353 H GLN 50 H GLN 50 115.257 2.898 2.898 354 HA GLN 50 HA GLN 50 114.655 2.805 2.805 355 1HB GLN 50 2HB GLN 50 116.889 3.060 3.060 356 2HB GLN 50 1HB GLN 50 116.539 4.780 4.780 357 1HG GLN 50 2HG GLN 50 116.358 4.997 4.997 358 2HG GLN 50 1HG GLN 50 116.667 3.268 3.268 359 1HE2 GLN 50 1HE2 GLN 50 118.802 2.861 2.861 360 2HE2 GLN 50 2HE2 GLN 50 120.135 3.767 3.767 361 H VAL 51 H VAL 51 113.958 5.379 5.379 362 HA VAL 51 HA VAL 51 112.677 6.960 6.960 363 HB VAL 51 HB VAL 51 114.714 7.996 7.996 364 1HG1 VAL 51 2HG1 VAL 51 113.296 7.492 7.492 365 2HG1 VAL 51 1HG1 VAL 51 114.555 8.718 8.718 366 3HG1 VAL 51 3HG1 VAL 51 114.929 7.028 7.028 367 1HG2 VAL 51 2HG2 VAL 51 112.339 9.240 9.240 368 2HG2 VAL 51 1HG2 VAL 51 113.800 10.094 10.094 369 3HG2 VAL 51 3HG2 VAL 51 112.611 9.603 9.603 370 H MET 52 H MET 52 111.391 4.834 4.834 371 HA MET 52 HA MET 52 109.729 6.338 6.338 372 1HB MET 52 2HB MET 52 108.891 4.081 4.081 373 2HB MET 52 1HB MET 52 110.651 4.130 4.130 374 1HG MET 52 2HG MET 52 110.753 2.521 2.521 375 2HG MET 52 1HG MET 52 109.784 3.492 3.492 376 1HE MET 52 3HE MET 52 110.280 0.561 0.561 377 2HE MET 52 2HE MET 52 108.916 0.465 0.465 378 3HE MET 52 1HE MET 52 108.866 -0.416 -0.416 379 H MET 53 H MET 53 109.405 7.025 7.025 380 HA MET 53 HA MET 53 107.576 7.544 7.544 381 1HB MET 53 2HB MET 53 106.487 7.297 7.297 382 2HB MET 53 1HB MET 53 105.747 5.881 5.881 383 1HG MET 53 2HG MET 53 105.701 8.463 8.463 384 2HG MET 53 1HG MET 53 104.590 8.267 8.267 385 1HE MET 53 1HE MET 53 103.287 6.547 6.547 386 2HE MET 53 3HE MET 53 103.440 4.964 4.964 387 3HE MET 53 2HE MET 53 102.081 6.014 6.014 388 H MET 54 H MET 54 108.477 4.330 4.330 389 HA MET 54 HA MET 54 108.250 2.266 2.266 390 1HB MET 54 2HB MET 54 108.607 4.482 4.482 391 2HB MET 54 1HB MET 54 108.132 2.924 2.924 392 1HG MET 54 2HG MET 54 110.625 3.240 3.240 393 2HG MET 54 1HG MET 54 110.032 1.824 1.824 394 1HE MET 54 3HE MET 54 110.545 1.174 1.174 395 2HE MET 54 2HE MET 54 111.069 1.969 1.969 396 3HE MET 54 1HE MET 54 112.223 1.697 1.697 397 H GLY 55 H GLY 55 105.750 3.735 3.735 398 1HA GLY 55 2HA GLY 55 103.859 2.262 2.262 399 2HA GLY 55 1HA GLY 55 103.507 3.920 3.920 400 H SER 56 H SER 56 105.195 2.152 2.152 401 HA SER 56 HA SER 56 102.765 1.131 1.131 402 1HB SER 56 2HB SER 56 104.227 3.620 3.620 403 2HB SER 56 1HB SER 56 103.941 2.584 2.584 404 HG SER 56 HG SER 56 102.141 3.909 3.909 405 H ALA 57 H ALA 57 104.011 -0.884 -0.884 406 HA ALA 57 HA ALA 57 106.623 -1.482 -1.482 407 1HB ALA 57 3HB ALA 57 105.069 -2.972 -2.972 408 2HB ALA 57 2HB ALA 57 104.103 -3.161 -3.161 409 3HB ALA 57 1HB ALA 57 105.749 -3.792 -3.792 410 H ARG 58 H ARG 58 103.802 -0.891 -0.891 411 HA ARG 58 HA ARG 58 104.488 -2.153 -2.153 412 1HB ARG 58 2HB ARG 58 102.962 0.245 0.245 413 2HB ARG 58 1HB ARG 58 103.349 0.150 0.150 414 1HG ARG 58 2HG ARG 58 101.774 -1.421 -1.421 415 2HG ARG 58 1HG ARG 58 102.444 -2.427 -2.427 416 1HD ARG 58 2HD ARG 58 101.197 -1.071 -1.071 417 2HD ARG 58 1HD ARG 58 100.477 -0.126 -0.126 418 HE ARG 58 HE ARG 58 99.791 -2.883 -2.883 419 1HH1 ARG 58 2HH1 ARG 58 99.973 -0.517 -0.517 420 2HH1 ARG 58 1HH1 ARG 58 98.719 -1.253 -1.253 421 1HH2 ARG 58 1HH2 ARG 58 98.147 -3.816 -3.816 422 2HH2 ARG 58 2HH2 ARG 58 97.682 -3.111 -3.111 423 H VAL 59 H VAL 59 105.603 0.997 0.997 424 HA VAL 59 HA VAL 59 107.058 1.904 1.904 425 HB VAL 59 HB VAL 59 107.390 2.176 2.176 426 1HG1 VAL 59 1HG1 VAL 59 109.240 2.989 2.989 427 2HG1 VAL 59 3HG1 VAL 59 108.846 4.245 4.245 428 3HG1 VAL 59 2HG1 VAL 59 109.561 2.729 2.729 429 1HG2 VAL 59 3HG2 VAL 59 105.983 3.566 3.566 430 2HG2 VAL 59 2HG2 VAL 59 105.677 3.600 3.600 431 3HG2 VAL 59 1HG2 VAL 59 106.910 4.649 4.649 432 H ALA 60 H ALA 60 108.383 0.119 0.119 433 HA ALA 60 HA ALA 60 110.966 -0.382 -0.382 434 1HB ALA 60 2HB ALA 60 109.028 -1.529 -1.529 435 2HB ALA 60 1HB ALA 60 110.088 -2.773 -2.773 436 3HB ALA 60 3HB ALA 60 110.777 -1.383 -1.383 437 H GLU 61 H GLU 61 108.111 -2.478 -2.478 438 HA GLU 61 HA GLU 61 109.217 -4.446 -4.446 439 1HB GLU 61 2HB GLU 61 106.722 -3.609 -3.609 440 2HB GLU 61 1HB GLU 61 106.714 -3.198 -3.198 441 1HG GLU 61 2HG GLU 61 106.289 -5.359 -5.359 442 2HG GLU 61 1HG GLU 61 107.893 -5.755 -5.755 443 H LEU 62 H LEU 62 108.258 -1.155 -1.155 444 HA LEU 62 HA LEU 62 109.001 -1.478 -1.478 445 1HB LEU 62 2HB LEU 62 107.402 0.147 0.147 446 2HB LEU 62 1HB LEU 62 108.070 0.614 0.614 447 HG LEU 62 HG LEU 62 109.979 1.677 1.677 448 1HD1 LEU 62 2HD1 LEU 62 108.699 0.354 0.354 449 2HD1 LEU 62 1HD1 LEU 62 108.840 2.085 2.085 450 3HD1 LEU 62 3HD1 LEU 62 110.279 1.136 1.136 451 1HD2 LEU 62 1HD2 LEU 62 107.152 2.579 2.579 452 2HD2 LEU 62 3HD2 LEU 62 108.226 3.119 3.119 453 3HD2 LEU 62 2HD2 LEU 62 108.557 3.574 3.574 454 H LEU 63 H LEU 63 110.436 0.577 0.577 455 HA LEU 63 HA LEU 63 112.854 1.132 1.132 456 1HB LEU 63 2HB LEU 63 111.795 1.369 1.369 457 2HB LEU 63 1HB LEU 63 113.536 1.542 1.542 458 HG LEU 63 HG LEU 63 111.680 3.034 3.034 459 1HD1 LEU 63 2HD1 LEU 63 111.375 3.267 3.267 460 2HD1 LEU 63 1HD1 LEU 63 112.597 4.495 4.495 461 3HD1 LEU 63 3HD1 LEU 63 111.044 4.559 4.559 462 1HD2 LEU 63 3HD2 LEU 63 114.490 2.874 2.874 463 2HD2 LEU 63 2HD2 LEU 63 113.645 3.924 3.924 464 3HD2 LEU 63 1HD2 LEU 63 113.971 4.481 4.481 465 H LEU 64 H LEU 64 112.357 -1.068 -1.068 466 HA LEU 64 HA LEU 64 114.878 -2.208 -2.208 467 1HB LEU 64 2HB LEU 64 112.450 -2.601 -2.601 468 2HB LEU 64 1HB LEU 64 112.538 -4.049 -4.049 469 HG LEU 64 HG LEU 64 114.960 -3.368 -3.368 470 1HD1 LEU 64 2HD1 LEU 64 112.834 -3.020 -3.020 471 2HD1 LEU 64 1HD1 LEU 64 112.645 -4.769 -4.769 472 3HD1 LEU 64 3HD1 LEU 64 114.092 -4.088 -4.088 473 1HD2 LEU 64 1HD2 LEU 64 114.561 -5.386 -5.386 474 2HD2 LEU 64 3HD2 LEU 64 115.214 -5.732 -5.732 475 3HD2 LEU 64 2HD2 LEU 64 113.503 -6.000 -6.000 476 H LEU 65 H LEU 65 112.268 -3.763 -3.763 477 HA LEU 65 HA LEU 65 113.968 -5.645 -5.645 478 1HB LEU 65 2HB LEU 65 112.063 -6.185 -6.185 479 2HB LEU 65 1HB LEU 65 111.320 -5.187 -5.187 480 HG LEU 65 HG LEU 65 111.803 -3.217 -3.217 481 1HD1 LEU 65 1HD1 LEU 65 112.291 -5.680 -5.680 482 2HD1 LEU 65 3HD1 LEU 65 111.337 -4.413 -4.413 483 3HD1 LEU 65 2HD1 LEU 65 112.965 -4.061 -4.061 484 1HD2 LEU 65 2HD2 LEU 65 109.595 -4.923 -4.923 485 2HD2 LEU 65 1HD2 LEU 65 109.555 -3.296 -3.296 486 3HD2 LEU 65 3HD2 LEU 65 109.658 -4.696 -4.696 487 H HIS 66 H HIS 66 113.548 -2.234 -2.234 488 HA HIS 66 HA HIS 66 114.708 -2.255 -2.255 489 1HB HIS 66 2HB HIS 66 113.451 -0.460 -0.460 490 2HB HIS 66 1HB HIS 66 114.737 0.296 0.296 491 HD1 HIS 66 HD1 HIS 66 111.259 -0.830 -0.830 492 HD2 HIS 66 HD2 HIS 66 114.333 0.102 0.102 493 HE1 HIS 66 HE1 HIS 66 110.183 -0.566 -0.566 494 H GLY 67 H GLY 67 115.783 -1.489 -1.489 495 1HA GLY 67 2HA GLY 67 118.299 -2.286 -2.286 496 2HA GLY 67 1HA GLY 67 118.488 -0.944 -0.944 497 H ALA 68 H ALA 68 116.440 -1.223 -1.223 498 HA ALA 68 HA ALA 68 117.212 1.452 1.452 499 1HB ALA 68 3HB ALA 68 114.991 0.337 0.337 500 2HB ALA 68 2HB ALA 68 115.769 -0.784 -0.784 501 3HB ALA 68 1HB ALA 68 115.696 0.935 0.935 502 H GLU 69 H GLU 69 117.380 0.759 0.759 503 HA GLU 69 HA GLU 69 120.151 -0.386 -0.386 504 1HB GLU 69 2HB GLU 69 120.639 1.190 1.190 505 2HB GLU 69 1HB GLU 69 119.805 2.084 2.084 506 1HG GLU 69 2HG GLU 69 118.243 2.717 2.717 507 2HG GLU 69 1HG GLU 69 117.801 1.028 1.028 508 HA PRO 70 HA PRO 70 117.141 -2.810 -2.810 509 1HB PRO 70 2HB PRO 70 117.332 -5.212 -5.212 510 2HB PRO 70 1HB PRO 70 116.088 -3.999 -3.999 511 1HG PRO 70 2HG PRO 70 118.659 -4.548 -4.548 512 2HG PRO 70 1HG PRO 70 117.058 -4.199 -4.199 513 1HD PRO 70 2HD PRO 70 118.995 -2.327 -2.327 514 2HD PRO 70 1HD PRO 70 117.271 -1.925 -1.925 515 H ASN 71 H ASN 71 120.329 -3.045 -3.045 516 HA ASN 71 HA ASN 71 121.169 -4.945 -4.945 517 1HB ASN 71 2HB ASN 71 122.027 -4.262 -4.262 518 2HB ASN 71 1HB ASN 71 123.318 -4.660 -4.660 519 1HD2 ASN 71 1HD2 ASN 71 123.696 -6.725 -6.725 520 2HD2 ASN 71 2HD2 ASN 71 122.620 -8.024 -8.024 521 H CYS 72 H CYS 72 122.851 -2.311 -2.311 522 HA CYS 72 HA CYS 72 124.534 -1.492 -1.492 523 1HB CYS 72 2HB CYS 72 123.791 -0.670 -0.670 524 2HB CYS 72 1HB CYS 72 123.529 0.747 0.747 525 HG CYS 72 HG CYS 72 125.995 0.857 0.857 526 H ALA 73 H ALA 73 124.338 0.724 0.724 527 HA ALA 73 HA ALA 73 121.548 1.372 1.372 528 1HB ALA 73 1HB ALA 73 122.595 -0.496 -0.496 529 2HB ALA 73 3HB ALA 73 123.742 0.714 0.714 530 3HB ALA 73 2HB ALA 73 122.021 0.904 0.904 531 H ASP 74 H ASP 74 122.519 2.901 2.901 532 HA ASP 74 HA ASP 74 123.655 5.235 5.235 533 1HB ASP 74 2HB ASP 74 121.770 4.722 4.722 534 2HB ASP 74 1HB ASP 74 122.974 5.918 5.918 535 HA PRO 75 HA PRO 75 127.556 4.290 4.290 536 1HB PRO 75 2HB PRO 75 128.817 6.666 6.666 537 2HB PRO 75 1HB PRO 75 128.578 5.397 5.397 538 1HG PRO 75 2HG PRO 75 126.998 7.886 7.886 539 2HG PRO 75 1HG PRO 75 127.528 7.164 7.164 540 1HD PRO 75 2HD PRO 75 125.007 6.890 6.890 541 2HD PRO 75 1HD PRO 75 125.818 5.613 5.613 542 H ALA 76 H ALA 76 125.659 7.172 7.172 543 HA ALA 76 HA ALA 76 127.050 8.266 8.266 544 1HB ALA 76 3HB ALA 76 124.585 8.536 8.536 545 2HB ALA 76 2HB ALA 76 124.151 8.084 8.084 546 3HB ALA 76 1HB ALA 76 125.152 9.507 9.507 547 H THR 77 H THR 77 124.288 5.992 5.992 548 HA THR 77 HA THR 77 125.706 4.757 4.757 549 HB THR 77 HB THR 77 123.622 4.776 4.776 550 HG1 THR 77 HG1 THR 77 121.734 5.548 5.548 551 1HG2 THR 77 1HG2 THR 77 124.961 6.957 6.957 552 2HG2 THR 77 3HG2 THR 77 123.695 7.471 7.471 553 3HG2 THR 77 2HG2 THR 77 123.294 7.102 7.102 554 H LEU 78 H LEU 78 125.594 3.842 3.842 555 HA LEU 78 HA LEU 78 124.983 1.966 1.966 556 1HB LEU 78 2HB LEU 78 125.773 1.247 1.247 557 2HB LEU 78 1HB LEU 78 124.807 -0.006 -0.006 558 HG LEU 78 HG LEU 78 127.397 1.203 1.203 559 1HD1 LEU 78 3HD1 LEU 78 127.241 -0.754 -0.754 560 2HD1 LEU 78 2HD1 LEU 78 126.724 -1.713 -1.713 561 3HD1 LEU 78 1HD1 LEU 78 128.307 -0.935 -0.935 562 1HD2 LEU 78 2HD2 LEU 78 125.196 -0.182 -0.182 563 2HD2 LEU 78 1HD2 LEU 78 126.408 0.944 0.944 564 3HD2 LEU 78 3HD2 LEU 78 126.830 -0.749 -0.749 565 H THR 79 H THR 79 122.687 3.537 3.537 566 HA THR 79 HA THR 79 120.593 1.845 1.845 567 HB THR 79 HB THR 79 120.086 4.163 4.163 568 HG1 THR 79 HG1 THR 79 121.598 5.181 5.181 569 1HG2 THR 79 2HG2 THR 79 118.341 2.853 2.853 570 2HG2 THR 79 1HG2 THR 79 119.040 3.630 3.630 571 3HG2 THR 79 3HG2 THR 79 118.314 4.611 4.611 572 H ARG 80 H ARG 80 120.369 -0.081 -0.081 573 HA ARG 80 HA ARG 80 120.344 -0.101 -0.101 574 1HB ARG 80 2HB ARG 80 120.353 -1.929 -1.929 575 2HB ARG 80 1HB ARG 80 119.114 -2.415 -2.415 576 1HG ARG 80 2HG ARG 80 121.150 -1.821 -1.821 577 2HG ARG 80 1HG ARG 80 122.064 -2.378 -2.378 578 1HD ARG 80 2HD ARG 80 120.453 -4.403 -4.403 579 2HD ARG 80 1HD ARG 80 120.012 -3.898 -3.898 580 HE ARG 80 HE ARG 80 122.887 -4.278 -4.278 581 1HH1 ARG 80 2HH1 ARG 80 120.095 -5.595 -5.595 582 2HH1 ARG 80 1HH1 ARG 80 120.969 -6.274 -6.274 583 1HH2 ARG 80 1HH2 ARG 80 124.008 -4.907 -4.907 584 2HH2 ARG 80 2HH2 ARG 80 123.171 -5.873 -5.873 585 HA PRO 81 HA PRO 81 116.061 0.694 0.694 586 1HB PRO 81 2HB PRO 81 115.373 -1.181 -1.181 587 2HB PRO 81 1HB PRO 81 116.389 0.228 0.228 588 1HG PRO 81 2HG PRO 81 117.202 -2.585 -2.585 589 2HG PRO 81 1HG PRO 81 117.803 -1.474 -1.474 590 1HD PRO 81 2HD PRO 81 119.148 -1.942 -1.942 591 2HD PRO 81 1HD PRO 81 119.180 -0.360 -0.360 592 H VAL 82 H VAL 82 117.097 -2.506 -2.506 593 HA VAL 82 HA VAL 82 114.661 -3.871 -3.871 594 HB VAL 82 HB VAL 82 117.237 -3.883 -3.883 595 1HG1 VAL 82 2HG1 VAL 82 114.905 -5.175 -5.175 596 2HG1 VAL 82 1HG1 VAL 82 115.707 -6.376 -6.376 597 3HG1 VAL 82 3HG1 VAL 82 116.510 -5.764 -5.764 598 1HG2 VAL 82 2HG2 VAL 82 116.401 -5.387 -5.387 599 2HG2 VAL 82 1HG2 VAL 82 117.716 -4.220 -4.220 600 3HG2 VAL 82 3HG2 VAL 82 117.829 -5.778 -5.778 601 H HIS 83 H HIS 83 116.218 -1.337 -1.337 602 HA HIS 83 HA HIS 83 114.589 -1.673 -1.673 603 1HB HIS 83 2HB HIS 83 116.193 0.671 0.671 604 2HB HIS 83 1HB HIS 83 115.597 0.528 0.528 605 HD2 HIS 83 HD2 HIS 83 117.642 -0.441 -0.441 606 HE1 HIS 83 HE1 HIS 83 119.475 -2.974 -2.974 607 HE2 HIS 83 HE2 HIS 83 119.563 -2.106 -2.106 608 H ASP 84 H ASP 84 114.623 0.639 0.639 609 HA ASP 84 HA ASP 84 112.452 2.277 2.277 610 1HB ASP 84 2HB ASP 84 113.768 1.099 1.099 611 2HB ASP 84 1HB ASP 84 112.201 1.849 1.849 612 H ALA 85 H ALA 85 112.318 -0.993 -0.993 613 HA ALA 85 HA ALA 85 109.475 -1.053 -1.053 614 1HB ALA 85 1HB ALA 85 111.117 -2.562 -2.562 615 2HB ALA 85 3HB ALA 85 111.495 -3.263 -3.263 616 3HB ALA 85 2HB ALA 85 109.894 -3.490 -3.490 617 H ALA 86 H ALA 86 111.299 -2.931 -2.931 618 HA ALA 86 HA ALA 86 109.145 -3.577 -3.577 619 1HB ALA 86 1HB ALA 86 111.878 -3.960 -3.960 620 2HB ALA 86 3HB ALA 86 111.690 -2.990 -2.990 621 3HB ALA 86 2HB ALA 86 110.832 -4.523 -4.523 622 H ARG 87 H ARG 87 111.330 -0.737 -0.737 623 HA ARG 87 HA ARG 87 110.415 0.451 0.451 624 1HB ARG 87 2HB ARG 87 112.184 1.128 1.128 625 2HB ARG 87 1HB ARG 87 110.864 2.094 2.094 626 1HG ARG 87 2HG ARG 87 111.016 2.421 2.421 627 2HG ARG 87 1HG ARG 87 112.579 2.774 2.774 628 1HD ARG 87 2HD ARG 87 111.806 4.737 4.737 629 2HD ARG 87 1HD ARG 87 110.407 3.931 3.931 630 HE ARG 87 HE ARG 87 109.923 3.966 3.966 631 1HH1 ARG 87 1HH2 ARG 87 111.384 6.661 6.661 632 2HH1 ARG 87 2HH2 ARG 87 110.001 7.702 7.702 633 1HH2 ARG 87 2HH1 ARG 87 107.710 5.100 5.100 634 2HH2 ARG 87 1HH1 ARG 87 107.918 6.817 6.817 635 H GLU 88 H GLU 88 108.815 0.405 0.405 636 HA GLU 88 HA GLU 88 106.606 2.100 2.100 637 1HB GLU 88 2HB GLU 88 107.865 1.546 1.546 638 2HB GLU 88 1HB GLU 88 106.114 1.357 1.357 639 1HG GLU 88 2HG GLU 88 107.570 3.789 3.789 640 2HG GLU 88 1HG GLU 88 106.754 3.683 3.683 641 H GLY 89 H GLY 89 107.411 -1.195 -1.195 642 1HA GLY 89 2HA GLY 89 106.107 -3.068 -3.068 643 2HA GLY 89 1HA GLY 89 104.703 -2.011 -2.011 644 H PHE 90 H PHE 90 106.791 -2.181 -2.181 645 HA PHE 90 HA PHE 90 104.424 -3.110 -3.110 646 1HB PHE 90 2HB PHE 90 106.186 -0.983 -0.983 647 2HB PHE 90 1HB PHE 90 106.787 -2.149 -2.149 648 HD1 PHE 90 HD2 PHE 90 105.026 -3.264 -3.264 649 HD2 PHE 90 HD1 PHE 90 104.316 0.348 0.348 650 HE1 PHE 90 HE2 PHE 90 103.152 -2.703 -2.703 651 HE2 PHE 90 HE1 PHE 90 102.443 0.910 0.910 652 HZ PHE 90 HZ PHE 90 101.866 -0.615 -0.615 653 H LEU 91 H LEU 91 104.678 -5.398 -5.398 654 HA LEU 91 HA LEU 91 107.173 -6.795 -6.795 655 1HB LEU 91 2HB LEU 91 104.541 -7.328 -7.328 656 2HB LEU 91 1HB LEU 91 104.777 -8.326 -8.326 657 HG LEU 91 HG LEU 91 106.757 -8.219 -8.219 658 1HD1 LEU 91 1HD1 LEU 91 104.371 -9.125 -9.125 659 2HD1 LEU 91 3HD1 LEU 91 104.846 -10.481 -10.481 660 3HD1 LEU 91 2HD1 LEU 91 105.758 -10.118 -10.118 661 1HD2 LEU 91 1HD2 LEU 91 107.220 -9.031 -9.031 662 2HD2 LEU 91 3HD2 LEU 91 107.902 -9.885 -9.885 663 3HD2 LEU 91 2HD2 LEU 91 106.448 -10.500 -10.500 664 H ASP 92 H ASP 92 104.589 -5.825 -5.825 665 HA ASP 92 HA ASP 92 105.135 -7.409 -7.409 666 1HB ASP 92 2HB ASP 92 104.403 -4.471 -4.471 667 2HB ASP 92 1HB ASP 92 104.196 -5.459 -5.459 668 H THR 93 H THR 93 106.604 -4.263 -4.263 669 HA THR 93 HA THR 93 108.435 -4.067 -4.067 670 HB THR 93 HB THR 93 108.512 -3.147 -3.147 671 HG1 THR 93 HG1 THR 93 106.888 -2.420 -2.420 672 1HG2 THR 93 1HG2 THR 93 110.291 -2.379 -2.379 673 2HG2 THR 93 3HG2 THR 93 110.196 -1.473 -1.473 674 3HG2 THR 93 2HG2 THR 93 110.796 -3.131 -3.131 675 H LEU 94 H LEU 94 108.642 -5.789 -5.789 676 HA LEU 94 HA LEU 94 111.393 -6.543 -6.543 677 1HB LEU 94 2HB LEU 94 108.988 -7.097 -7.097 678 2HB LEU 94 1HB LEU 94 109.817 -8.617 -8.617 679 HG LEU 94 HG LEU 94 111.917 -7.644 -7.644 680 1HD1 LEU 94 1HD1 LEU 94 111.002 -5.238 -5.238 681 2HD1 LEU 94 3HD1 LEU 94 110.308 -5.341 -5.341 682 3HD1 LEU 94 2HD1 LEU 94 112.052 -5.469 -5.469 683 1HD2 LEU 94 2HD2 LEU 94 109.419 -7.981 -7.981 684 2HD2 LEU 94 1HD2 LEU 94 110.981 -8.775 -8.775 685 3HD2 LEU 94 3HD2 LEU 94 110.729 -7.155 -7.155 686 H VAL 95 H VAL 95 108.478 -8.161 -8.161 687 HA VAL 95 HA VAL 95 109.732 -10.515 -10.515 688 HB VAL 95 HB VAL 95 107.389 -8.997 -8.997 689 1HG1 VAL 95 1HG1 VAL 95 108.082 -11.947 -11.947 690 2HG1 VAL 95 3HG1 VAL 95 106.598 -11.293 -11.293 691 3HG1 VAL 95 2HG1 VAL 95 108.152 -10.948 -10.948 692 1HG2 VAL 95 3HG2 VAL 95 107.681 -10.506 -10.506 693 2HG2 VAL 95 2HG2 VAL 95 106.682 -9.098 -9.098 694 3HG2 VAL 95 1HG2 VAL 95 106.178 -10.699 -10.699 695 H VAL 96 H VAL 96 108.961 -7.428 -7.428 696 HA VAL 96 HA VAL 96 110.078 -8.022 -8.022 697 HB VAL 96 HB VAL 96 110.202 -5.355 -5.355 698 1HG1 VAL 96 2HG1 VAL 96 111.295 -5.654 -5.654 699 2HG1 VAL 96 1HG1 VAL 96 109.685 -5.977 -5.977 700 3HG1 VAL 96 3HG1 VAL 96 110.048 -4.408 -4.408 701 1HG2 VAL 96 3HG2 VAL 96 107.877 -6.875 -6.875 702 2HG2 VAL 96 2HG2 VAL 96 107.956 -5.943 -5.943 703 3HG2 VAL 96 1HG2 VAL 96 107.892 -5.112 -5.112 704 H LEU 97 H LEU 97 111.615 -6.582 -6.582 705 HA LEU 97 HA LEU 97 114.208 -6.141 -6.141 706 1HB LEU 97 2HB LEU 97 112.845 -6.473 -6.473 707 2HB LEU 97 1HB LEU 97 114.533 -6.984 -6.984 708 HG LEU 97 HG LEU 97 114.794 -4.684 -4.684 709 1HD1 LEU 97 1HD1 LEU 97 112.333 -4.255 -4.255 710 2HD1 LEU 97 3HD1 LEU 97 112.556 -4.162 -4.162 711 3HD1 LEU 97 2HD1 LEU 97 113.334 -2.980 -2.980 712 1HD2 LEU 97 2HD2 LEU 97 115.647 -5.620 -5.620 713 2HD2 LEU 97 1HD2 LEU 97 115.927 -3.960 -3.960 714 3HD2 LEU 97 3HD2 LEU 97 114.587 -4.326 -4.326 715 H HIS 98 H HIS 98 113.413 -8.922 -8.922 716 HA HIS 98 HA HIS 98 115.675 -10.481 -10.481 717 1HB HIS 98 2HB HIS 98 113.857 -10.633 -10.633 718 2HB HIS 98 1HB HIS 98 112.998 -11.649 -11.649 719 HD1 HIS 98 HD1 HIS 98 114.213 -12.775 -12.775 720 HD2 HIS 98 HD2 HIS 98 116.096 -12.937 -12.937 721 HE1 HIS 98 HE1 HIS 98 115.878 -14.680 -14.680 722 H ARG 99 H ARG 99 112.685 -9.938 -9.938 723 HA ARG 99 HA ARG 99 112.753 -12.304 -12.304 724 1HB ARG 99 2HB ARG 99 110.699 -11.107 -11.107 725 2HB ARG 99 1HB ARG 99 111.430 -9.587 -9.587 726 1HG ARG 99 2HG ARG 99 111.492 -10.238 -10.238 727 2HG ARG 99 1HG ARG 99 111.293 -11.945 -11.945 728 1HD ARG 99 2HD ARG 99 109.079 -10.244 -10.244 729 2HD ARG 99 1HD ARG 99 109.235 -10.306 -10.306 730 HE ARG 99 HE ARG 99 108.555 -12.561 -12.561 731 1HH1 ARG 99 2HH1 ARG 99 107.614 -11.923 -11.923 732 2HH1 ARG 99 1HH1 ARG 99 108.336 -13.236 -13.236 733 1HH2 ARG 99 1HH2 ARG 99 110.495 -14.098 -14.098 734 2HH2 ARG 99 2HH2 ARG 99 109.961 -14.470 -14.470 735 H ALA 100 H ALA 100 114.541 -9.353 -9.353 736 HA ALA 100 HA ALA 100 115.763 -10.126 -10.126 737 1HB ALA 100 3HB ALA 100 113.903 -8.004 -8.004 738 2HB ALA 100 2HB ALA 100 115.473 -7.280 -7.280 739 3HB ALA 100 1HB ALA 100 114.745 -8.403 -8.403 740 H GLY 101 H GLY 101 117.391 -10.753 -10.753 741 1HA GLY 101 2HA GLY 101 119.381 -10.341 -10.341 742 2HA GLY 101 1HA GLY 101 119.604 -9.044 -9.044 743 H ALA 102 H ALA 102 118.840 -9.794 -9.794 744 HA ALA 102 HA ALA 102 119.019 -6.956 -6.956 745 1HB ALA 102 2HB ALA 102 116.476 -8.573 -8.573 746 2HB ALA 102 1HB ALA 102 116.747 -7.098 -7.098 747 3HB ALA 102 3HB ALA 102 116.703 -7.036 -7.036 748 H ARG 103 H ARG 103 120.863 -8.108 -8.108 749 HA ARG 103 HA ARG 103 120.578 -10.133 -10.133 750 1HB ARG 103 2HB ARG 103 122.748 -9.526 -9.526 751 2HB ARG 103 1HB ARG 103 122.447 -7.808 -7.808 752 1HG ARG 103 2HG ARG 103 122.299 -8.281 -8.281 753 2HG ARG 103 1HG ARG 103 122.842 -9.923 -9.923 754 1HD ARG 103 2HD ARG 103 124.983 -9.181 -9.181 755 2HD ARG 103 1HD ARG 103 124.615 -8.134 -8.134 756 HE ARG 103 HE ARG 103 123.514 -6.870 -6.870 757 1HH1 ARG 103 1HH2 ARG 103 126.009 -7.944 -7.944 758 2HH1 ARG 103 2HH2 ARG 103 127.135 -6.658 -6.658 759 1HH2 ARG 103 2HH1 ARG 103 125.219 -5.164 -5.164 760 2HH2 ARG 103 1HH1 ARG 103 126.689 -5.088 -5.088 761 H LEU 104 H LEU 104 119.321 -10.069 -10.069 762 HA LEU 104 HA LEU 104 118.633 -7.419 -7.419 763 1HB LEU 104 2HB LEU 104 117.547 -10.120 -10.120 764 2HB LEU 104 1HB LEU 104 116.767 -8.550 -8.550 765 HG LEU 104 HG LEU 104 117.421 -9.906 -9.906 766 1HD1 LEU 104 2HD1 LEU 104 115.075 -10.046 -10.046 767 2HD1 LEU 104 1HD1 LEU 104 114.735 -9.905 -9.905 768 3HD1 LEU 104 3HD1 LEU 104 115.700 -11.255 -11.255 769 1HD2 LEU 104 1HD2 LEU 104 117.244 -7.370 -7.370 770 2HD2 LEU 104 3HD2 LEU 104 116.100 -8.159 -8.159 771 3HD2 LEU 104 2HD2 LEU 104 115.565 -7.586 -7.586 772 H ASP 105 H ASP 105 121.210 -9.246 -9.246 773 HA ASP 105 HA ASP 105 121.192 -9.498 -9.498 774 1HB ASP 105 2HB ASP 105 121.786 -11.357 -11.357 775 2HB ASP 105 1HB ASP 105 123.305 -10.482 -10.482 776 H VAL 106 H VAL 106 121.412 -6.844 -6.844 777 HA VAL 106 HA VAL 106 124.316 -6.203 -6.203 778 HB VAL 106 HB VAL 106 122.596 -5.429 -5.429 779 1HG1 VAL 106 1HG1 VAL 106 121.177 -4.437 -4.437 780 2HG1 VAL 106 3HG1 VAL 106 122.303 -3.088 -3.088 781 3HG1 VAL 106 2HG1 VAL 106 121.312 -3.563 -3.563 782 1HG2 VAL 106 1HG2 VAL 106 125.057 -4.491 -4.491 783 2HG2 VAL 106 3HG2 VAL 106 124.344 -4.141 -4.141 784 3HG2 VAL 106 2HG2 VAL 106 124.064 -3.050 -3.050 785 H ARG 107 H ARG 107 124.228 -3.679 -3.679 786 HA ARG 107 HA ARG 107 122.638 -3.756 -3.756 787 1HB ARG 107 2HB ARG 107 124.739 -3.229 -3.229 788 2HB ARG 107 1HB ARG 107 124.820 -4.802 -4.802 789 1HG ARG 107 2HG ARG 107 126.065 -3.806 -3.806 790 2HG ARG 107 1HG ARG 107 125.963 -2.221 -2.221 791 1HD ARG 107 2HD ARG 107 127.320 -2.948 -2.948 792 2HD ARG 107 1HD ARG 107 127.272 -4.632 -4.632 793 HE ARG 107 HE ARG 107 128.233 -3.075 -3.075 794 1HH1 ARG 107 1HH2 ARG 107 129.186 -4.517 -4.517 795 2HH1 ARG 107 2HH2 ARG 107 130.866 -4.158 -4.158 796 1HH2 ARG 107 2HH1 ARG 107 130.404 -2.389 -2.389 797 2HH2 ARG 107 1HH1 ARG 107 131.554 -2.967 -2.967 798 H ASP 108 H ASP 108 122.018 -1.675 -1.675 799 HA ASP 108 HA ASP 108 122.343 0.506 0.506 800 1HB ASP 108 2HB ASP 108 120.428 -0.118 -0.118 801 2HB ASP 108 1HB ASP 108 121.398 0.761 0.761 802 H ALA 109 H ALA 109 124.925 -0.113 -0.113 803 HA ALA 109 HA ALA 109 126.969 0.765 0.765 804 1HB ALA 109 1HB ALA 109 125.013 3.040 3.040 805 2HB ALA 109 3HB ALA 109 126.652 3.296 3.296 806 3HB ALA 109 2HB ALA 109 126.391 2.777 2.777 807 H TRP 110 H TRP 110 124.838 2.584 2.584 808 HA TRP 110 HA TRP 110 126.356 2.415 2.415 809 1HB TRP 110 2HB TRP 110 123.343 2.166 2.166 810 2HB TRP 110 1HB TRP 110 124.220 2.747 2.747 811 HD1 TRP 110 HD1 TRP 110 122.206 4.697 4.697 812 HE1 TRP 110 HE1 TRP 110 122.859 6.884 6.884 813 HE3 TRP 110 HE3 TRP 110 126.975 3.537 3.537 814 HZ2 TRP 110 HZ2 TRP 110 125.090 8.001 8.001 815 HZ3 TRP 110 HZ3 TRP 110 128.325 5.186 5.186 816 HH2 TRP 110 HH2 TRP 110 127.397 7.415 7.415 817 H GLY 111 H GLY 111 124.081 -0.027 -0.027 818 1HA GLY 111 2HA GLY 111 125.119 -2.377 -2.377 819 2HA GLY 111 1HA GLY 111 124.772 -1.819 -1.819 820 H ARG 112 H ARG 112 122.354 -0.354 -0.354 821 HA ARG 112 HA ARG 112 120.365 -2.289 -2.289 822 1HB ARG 112 2HB ARG 112 120.500 0.451 0.451 823 2HB ARG 112 1HB ARG 112 118.965 -0.418 -0.418 824 1HG ARG 112 2HG ARG 112 119.191 -0.819 -0.819 825 2HG ARG 112 1HG ARG 112 120.565 0.287 0.287 826 1HD ARG 112 2HD ARG 112 118.885 1.910 1.910 827 2HD ARG 112 1HD ARG 112 117.655 0.885 0.885 828 HE ARG 112 HE ARG 112 119.540 1.416 1.416 829 1HH1 ARG 112 1HH2 ARG 112 117.513 3.280 3.280 830 2HH1 ARG 112 2HH2 ARG 112 117.287 4.556 4.556 831 1HH2 ARG 112 2HH1 ARG 112 119.216 3.070 3.070 832 2HH2 ARG 112 1HH1 ARG 112 118.248 4.440 4.440 833 H LEU 113 H LEU 113 119.479 -3.868 -3.868 834 HA LEU 113 HA LEU 113 120.216 -4.011 -4.011 835 1HB LEU 113 2HB LEU 113 119.705 -5.805 -5.805 836 2HB LEU 113 1HB LEU 113 118.569 -6.173 -6.173 837 HG LEU 113 HG LEU 113 120.771 -5.899 -5.899 838 1HD1 LEU 113 3HD1 LEU 113 121.714 -6.212 -6.212 839 2HD1 LEU 113 2HD1 LEU 113 122.463 -7.300 -7.300 840 3HD1 LEU 113 1HD1 LEU 113 122.552 -5.556 -5.556 841 1HD2 LEU 113 3HD2 LEU 113 120.006 -8.346 -8.346 842 2HD2 LEU 113 2HD2 LEU 113 119.372 -7.894 -7.894 843 3HD2 LEU 113 1HD2 LEU 113 121.059 -8.378 -8.378 844 HA PRO 114 HA PRO 114 116.224 -2.908 -2.908 845 1HB PRO 114 2HB PRO 114 115.586 -4.894 -4.894 846 2HB PRO 114 1HB PRO 114 116.807 -3.653 -3.653 847 1HG PRO 114 2HG PRO 114 117.172 -6.464 -6.464 848 2HG PRO 114 1HG PRO 114 118.108 -5.534 -5.534 849 1HD PRO 114 2HD PRO 114 118.955 -5.953 -5.953 850 2HD PRO 114 1HD PRO 114 119.362 -4.486 -4.486 851 H VAL 115 H VAL 115 116.463 -6.345 -6.345 852 HA VAL 115 HA VAL 115 113.623 -6.714 -6.714 853 HB VAL 115 HB VAL 115 115.423 -8.464 -8.464 854 1HG1 VAL 115 1HG1 VAL 115 116.039 -7.892 -7.892 855 2HG1 VAL 115 3HG1 VAL 115 116.664 -9.264 -9.264 856 3HG1 VAL 115 2HG1 VAL 115 117.121 -7.623 -7.623 857 1HG2 VAL 115 3HG2 VAL 115 113.516 -8.664 -8.664 858 2HG2 VAL 115 2HG2 VAL 115 113.317 -9.296 -9.296 859 3HG2 VAL 115 1HG2 VAL 115 114.472 -10.047 -10.047 860 H ASP 116 H ASP 116 116.330 -5.572 -5.572 861 HA ASP 116 HA ASP 116 115.055 -5.709 -5.709 862 1HB ASP 116 2HB ASP 116 117.536 -5.354 -5.354 863 2HB ASP 116 1HB ASP 116 117.091 -3.650 -3.650 864 H LEU 117 H LEU 117 114.882 -3.437 -3.437 865 HA LEU 117 HA LEU 117 113.723 -1.247 -1.247 866 1HB LEU 117 2HB LEU 117 114.886 -1.662 -1.662 867 2HB LEU 117 1HB LEU 117 113.202 -1.294 -1.294 868 HG LEU 117 HG LEU 117 114.787 0.382 0.382 869 1HD1 LEU 117 2HD1 LEU 117 115.136 0.153 0.153 870 2HD1 LEU 117 1HD1 LEU 117 114.593 1.772 1.772 871 3HD1 LEU 117 3HD1 LEU 117 116.058 1.106 1.106 872 1HD2 LEU 117 2HD2 LEU 117 112.090 0.322 0.322 873 2HD2 LEU 117 1HD2 LEU 117 112.848 1.526 1.526 874 3HD2 LEU 117 3HD2 LEU 117 112.834 1.756 1.756 875 H ALA 118 H ALA 118 112.373 -3.455 -3.455 876 HA ALA 118 HA ALA 118 109.686 -2.720 -2.720 877 1HB ALA 118 2HB ALA 118 111.186 -4.668 -4.668 878 2HB ALA 118 1HB ALA 118 110.276 -5.631 -5.631 879 3HB ALA 118 3HB ALA 118 109.422 -4.663 -4.663 880 H GLU 119 H GLU 119 111.385 -4.904 -4.904 881 HA GLU 119 HA GLU 119 109.093 -5.676 -5.676 882 1HB GLU 119 2HB GLU 119 112.042 -5.712 -5.712 883 2HB GLU 119 1HB GLU 119 111.224 -5.709 -5.709 884 1HG GLU 119 2HG GLU 119 109.709 -7.537 -7.537 885 2HG GLU 119 1HG GLU 119 111.246 -7.791 -7.791 886 H GLU 120 H GLU 120 111.492 -3.063 -3.063 887 HA GLU 120 HA GLU 120 110.361 -1.959 -1.959 888 1HB GLU 120 2HB GLU 120 112.604 -1.462 -1.462 889 2HB GLU 120 1HB GLU 120 111.882 -0.683 -0.683 890 1HG GLU 120 2HG GLU 120 111.138 1.155 1.155 891 2HG GLU 120 1HG GLU 120 111.129 0.263 0.263 892 H LEU 121 H LEU 121 109.965 -0.889 -0.889 893 HA LEU 121 HA LEU 121 108.030 1.124 1.124 894 1HB LEU 121 2HB LEU 121 109.004 -0.640 -0.640 895 2HB LEU 121 1HB LEU 121 107.387 0.006 0.006 896 HG LEU 121 HG LEU 121 109.337 1.417 1.417 897 1HD1 LEU 121 2HD1 LEU 121 106.895 2.134 2.134 898 2HD1 LEU 121 1HD1 LEU 121 108.104 3.385 3.385 899 3HD1 LEU 121 3HD1 LEU 121 107.677 2.932 2.932 900 1HD2 LEU 121 1HD2 LEU 121 110.476 1.022 1.022 901 2HD2 LEU 121 3HD2 LEU 121 110.774 2.486 2.486 902 3HD2 LEU 121 2HD2 LEU 121 109.594 2.503 2.503 903 H GLY 122 H GLY 122 107.013 -1.881 -1.881 904 1HA GLY 122 2HA GLY 122 105.305 -3.065 -3.065 905 2HA GLY 122 1HA GLY 122 104.372 -1.686 -1.686 906 H HIS 123 H HIS 123 106.671 -3.707 -3.707 907 HA HIS 123 HA HIS 123 104.406 -4.503 -4.503 908 1HB HIS 123 2HB HIS 123 107.306 -4.079 -4.079 909 2HB HIS 123 1HB HIS 123 105.913 -4.178 -4.178 910 HD1 HIS 123 HD1 HIS 123 103.998 -2.195 -2.195 911 HD2 HIS 123 HD2 HIS 123 107.999 -1.453 -1.453 912 HE1 HIS 123 HE1 HIS 123 104.211 0.310 0.310 913 H ARG 124 H ARG 124 104.619 -6.262 -6.262 914 HA ARG 124 HA ARG 124 106.671 -8.142 -8.142 915 1HB ARG 124 2HB ARG 124 103.718 -8.081 -8.081 916 2HB ARG 124 1HB ARG 124 104.444 -9.685 -9.685 917 1HG ARG 124 2HG ARG 124 105.482 -9.495 -9.495 918 2HG ARG 124 1HG ARG 124 105.861 -7.790 -7.790 919 1HD ARG 124 2HD ARG 124 103.930 -7.088 -7.088 920 2HD ARG 124 1HD ARG 124 102.976 -8.420 -8.420 921 HE ARG 124 HE ARG 124 104.097 -9.914 -9.914 922 1HH1 ARG 124 2HH1 ARG 124 105.282 -6.797 -6.797 923 2HH1 ARG 124 1HH1 ARG 124 105.002 -6.724 -6.724 924 1HH2 ARG 124 1HH2 ARG 124 103.223 -9.701 -9.701 925 2HH2 ARG 124 2HH2 ARG 124 103.837 -8.372 -8.372 926 H ASP 125 H ASP 125 104.007 -8.110 -8.110 927 HA ASP 125 HA ASP 125 104.571 -10.504 -10.504 928 1HB ASP 125 2HB ASP 125 102.932 -8.253 -8.253 929 2HB ASP 125 1HB ASP 125 103.887 -8.265 -8.265 930 H VAL 126 H VAL 126 105.952 -7.248 -7.248 931 HA VAL 126 HA VAL 126 107.742 -8.180 -8.180 932 HB VAL 126 HB VAL 126 108.072 -5.647 -5.647 933 1HG1 VAL 126 1HG1 VAL 126 108.742 -6.642 -6.642 934 2HG1 VAL 126 3HG1 VAL 126 108.442 -4.920 -4.920 935 3HG1 VAL 126 2HG1 VAL 126 109.730 -5.713 -5.713 936 1HG2 VAL 126 3HG2 VAL 126 105.925 -6.348 -6.348 937 2HG2 VAL 126 2HG2 VAL 126 105.737 -5.569 -5.569 938 3HG2 VAL 126 1HG2 VAL 126 106.458 -4.683 -4.683 939 H ALA 127 H ALA 127 108.104 -7.415 -7.415 940 HA ALA 127 HA ALA 127 110.921 -7.807 -7.807 941 1HB ALA 127 1HB ALA 127 108.993 -6.995 -6.995 942 2HB ALA 127 3HB ALA 127 109.036 -8.683 -8.683 943 3HB ALA 127 2HB ALA 127 110.486 -7.687 -7.687 944 H ARG 128 H ARG 128 108.225 -10.121 -10.121 945 HA ARG 128 HA ARG 128 109.676 -12.442 -12.442 946 1HB ARG 128 2HB ARG 128 107.075 -11.684 -11.684 947 2HB ARG 128 1HB ARG 128 107.609 -13.254 -13.254 948 1HG ARG 128 2HG ARG 128 107.603 -14.214 -14.214 949 2HG ARG 128 1HG ARG 128 107.908 -12.679 -12.679 950 1HD ARG 128 2HD ARG 128 105.624 -11.951 -11.951 951 2HD ARG 128 1HD ARG 128 105.292 -13.358 -13.358 952 HE ARG 128 HE ARG 128 105.280 -14.744 -14.744 953 1HH1 ARG 128 2HH1 ARG 128 104.368 -11.844 -11.844 954 2HH1 ARG 128 1HH1 ARG 128 105.124 -11.855 -11.855 955 1HH2 ARG 128 1HH2 ARG 128 107.094 -14.622 -14.622 956 2HH2 ARG 128 2HH2 ARG 128 106.663 -13.427 -13.427 957 H TYR 129 H TYR 129 108.420 -11.801 -11.801 958 HA TYR 129 HA TYR 129 109.986 -13.691 -13.691 959 1HB TYR 129 2HB TYR 129 108.044 -12.297 -12.297 960 2HB TYR 129 1HB TYR 129 109.166 -10.946 -10.946 961 HD1 TYR 129 HD1 TYR 129 108.229 -14.272 -14.272 962 HD2 TYR 129 HD2 TYR 129 110.921 -10.949 -10.949 963 HE1 TYR 129 HE1 TYR 129 108.980 -15.150 -15.150 964 HE2 TYR 129 HE2 TYR 129 111.670 -11.826 -11.826 965 HH TYR 129 HH TYR 129 111.703 -13.764 -13.764 966 H LEU 130 H LEU 130 110.845 -10.466 -10.466 967 HA LEU 130 HA LEU 130 113.314 -10.218 -10.218 968 1HB LEU 130 2HB LEU 130 111.898 -8.890 -8.890 969 2HB LEU 130 1HB LEU 130 113.642 -8.637 -8.637 970 HG LEU 130 HG LEU 130 111.921 -8.312 -8.312 971 1HD1 LEU 130 1HD1 LEU 130 111.068 -6.854 -6.854 972 2HD1 LEU 130 3HD1 LEU 130 112.660 -6.096 -6.096 973 3HD1 LEU 130 2HD1 LEU 130 111.660 -5.965 -5.965 974 1HD2 LEU 130 1HD2 LEU 130 114.398 -8.472 -8.472 975 2HD2 LEU 130 3HD2 LEU 130 113.787 -6.895 -6.895 976 3HD2 LEU 130 2HD2 LEU 130 114.557 -7.081 -7.081 977 H ARG 131 H ARG 131 112.657 -11.032 -11.032 978 HA ARG 131 HA ARG 131 115.304 -11.661 -11.661 979 1HB ARG 131 2HB ARG 131 113.062 -11.479 -11.479 980 2HB ARG 131 1HB ARG 131 112.871 -13.190 -13.190 981 1HG ARG 131 2HG ARG 131 114.500 -13.828 -13.828 982 2HG ARG 131 1HG ARG 131 115.535 -12.459 -12.459 983 1HD ARG 131 2HD ARG 131 114.870 -12.084 -12.084 984 2HD ARG 131 1HD ARG 131 113.825 -11.016 -11.016 985 HE ARG 131 HE ARG 131 112.737 -13.710 -13.710 986 1HH1 ARG 131 2HH1 ARG 131 111.348 -10.940 -10.940 987 2HH1 ARG 131 1HH1 ARG 131 110.612 -10.816 -10.816 988 1HH2 ARG 131 1HH2 ARG 131 112.516 -13.359 -13.359 989 2HH2 ARG 131 2HH2 ARG 131 111.278 -12.183 -12.183 990 H ALA 132 H ALA 132 112.967 -13.555 -13.555 991 HA ALA 132 HA ALA 132 114.636 -15.988 -15.988 992 1HB ALA 132 2HB ALA 132 111.898 -15.268 -15.268 993 2HB ALA 132 1HB ALA 132 112.473 -16.167 -16.167 994 3HB ALA 132 3HB ALA 132 112.580 -16.881 -16.881 995 H ALA 133 H ALA 133 113.301 -13.885 -13.885 996 HA ALA 133 HA ALA 133 115.018 -15.028 -15.028 997 1HB ALA 133 2HB ALA 133 112.680 -13.897 -13.897 998 2HB ALA 133 1HB ALA 133 113.575 -12.379 -12.379 999 3HB ALA 133 3HB ALA 133 113.834 -13.539 -13.539 1000 H ALA 134 H ALA 134 115.579 -12.744 -12.744 1001 HA ALA 134 HA ALA 134 117.889 -11.587 -11.587 1002 1HB ALA 134 1HB ALA 134 115.726 -10.245 -10.245 1003 2HB ALA 134 3HB ALA 134 116.678 -10.193 -10.193 1004 3HB ALA 134 2HB ALA 134 117.328 -9.515 -9.515 1005 H GLY 135 H GLY 135 116.711 -12.471 -12.471 1006 1HA GLY 135 2HA GLY 135 119.052 -12.123 -12.123 1007 2HA GLY 135 1HA GLY 135 117.878 -13.395 -13.395 1008 H GLY 136 H GLY 136 121.066 -12.909 -12.909 1009 1HA GLY 136 2HA GLY 136 121.491 -15.247 -15.247 1010 2HA GLY 136 1HA GLY 136 122.751 -14.219 -14.219 1011 H THR 137 H THR 137 120.540 -15.081 -15.081 1012 HA THR 137 HA THR 137 122.404 -16.568 -16.568 1013 HB THR 137 HB THR 137 120.334 -17.122 -17.122 1014 HG1 THR 137 HG1 THR 137 118.780 -17.372 -17.372 1015 1HG2 THR 137 2HG2 THR 137 121.297 -14.488 -14.488 1016 2HG2 THR 137 1HG2 THR 137 119.601 -14.444 -14.444 1017 3HG2 THR 137 3HG2 THR 137 120.817 -15.078 -15.078 1018 H ARG 138 H ARG 138 123.264 -18.484 -18.484 1019 HA ARG 138 HA ARG 138 121.364 -20.554 -20.554 1020 1HB ARG 138 2HB ARG 138 122.785 -19.718 -19.718 1021 2HB ARG 138 1HB ARG 138 124.215 -19.831 -19.831 1022 1HG ARG 138 2HG ARG 138 123.975 -22.286 -22.286 1023 2HG ARG 138 1HG ARG 138 122.541 -22.179 -22.179 1024 1HD ARG 138 2HD ARG 138 123.988 -21.010 -21.010 1025 2HD ARG 138 1HD ARG 138 125.391 -21.458 -21.458 1026 HE ARG 138 HE ARG 138 124.339 -23.861 -23.861 1027 1HH1 ARG 138 2HH1 ARG 138 122.350 -22.629 -22.629 1028 2HH1 ARG 138 1HH1 ARG 138 123.067 -23.159 -23.159 1029 1HH2 ARG 138 1HH2 ARG 138 126.095 -24.021 -24.021 1030 2HH2 ARG 138 2HH2 ARG 138 125.188 -23.958 -23.958 1031 H GLY 139 H GLY 139 124.802 -20.714 -20.714 1032 1HA GLY 139 2HA GLY 139 125.399 -21.570 -21.570 1033 2HA GLY 139 1HA GLY 139 124.028 -22.666 -22.666 1034 H SER 140 H SER 140 126.653 -21.810 -21.810 1035 HA SER 140 HA SER 140 126.947 -24.470 -24.470 1036 1HB SER 140 2HB SER 140 129.040 -22.282 -22.282 1037 2HB SER 140 1HB SER 140 128.886 -23.537 -23.537 1038 HG SER 140 HG SER 140 128.000 -21.604 -21.604 1039 H ASN 141 H ASN 141 128.046 -22.996 -22.996 1040 HA ASN 141 HA ASN 141 130.027 -25.190 -25.190 1041 1HB ASN 141 2HB ASN 141 130.071 -22.398 -22.398 1042 2HB ASN 141 1HB ASN 141 129.916 -23.044 -23.044 1043 1HD2 ASN 141 1HD2 ASN 141 132.214 -22.248 -22.248 1044 2HD2 ASN 141 2HD2 ASN 141 133.495 -23.206 -23.206 1045 H HIS 142 H HIS 142 127.195 -23.535 -23.535 1046 HA HIS 142 HA HIS 142 126.664 -25.950 -25.950 1047 1HB HIS 142 2HB HIS 142 126.400 -24.557 -24.557 1048 2HB HIS 142 1HB HIS 142 127.999 -24.274 -24.274 1049 HD1 HIS 142 HD1 HIS 142 128.188 -22.065 -22.065 1050 HD2 HIS 142 HD2 HIS 142 124.841 -22.268 -22.268 1051 HE1 HIS 142 HE1 HIS 142 127.231 -19.723 -19.723 1052 H ALA 143 H ALA 143 124.472 -24.906 -24.906 1053 HA ALA 143 HA ALA 143 122.575 -24.268 -24.268 1054 1HB ALA 143 3HB ALA 143 122.204 -25.778 -25.778 1055 2HB ALA 143 2HB ALA 143 120.939 -25.508 -25.508 1056 3HB ALA 143 1HB ALA 143 122.339 -26.503 -26.503 1057 H ARG 144 H ARG 144 121.370 -22.404 -22.404 1058 HA ARG 144 HA ARG 144 121.920 -20.551 -20.551 1059 1HB ARG 144 2HB ARG 144 121.098 -20.331 -20.331 1060 2HB ARG 144 1HB ARG 144 119.518 -20.299 -20.299 1061 1HG ARG 144 2HG ARG 144 121.001 -18.594 -18.594 1062 2HG ARG 144 1HG ARG 144 121.634 -18.259 -18.259 1063 1HD ARG 144 2HD ARG 144 119.756 -16.786 -16.786 1064 2HD ARG 144 1HD ARG 144 119.160 -18.113 -18.113 1065 HE ARG 144 HE ARG 144 118.633 -19.099 -19.099 1066 1HH1 ARG 144 1HH2 ARG 144 118.788 -15.785 -15.785 1067 2HH1 ARG 144 2HH2 ARG 144 117.130 -15.499 -15.499 1068 1HH2 ARG 144 2HH1 ARG 144 116.203 -18.825 -18.825 1069 2HH2 ARG 144 1HH1 ARG 144 115.668 -17.218 -17.218 1070 H ILE 145 H ILE 145 121.111 -20.936 -20.936 1071 HA ILE 145 HA ILE 145 119.597 -21.547 -21.547 1072 HB ILE 145 HB ILE 145 117.840 -20.460 -20.460 1073 1HG1 ILE 145 2HG1 ILE 145 118.823 -19.305 -19.305 1074 2HG1 ILE 145 1HG1 ILE 145 119.476 -18.917 -18.917 1075 1HG2 ILE 145 3HG2 ILE 145 117.009 -21.911 -21.911 1076 2HG2 ILE 145 2HG2 ILE 145 116.604 -20.214 -20.214 1077 3HG2 ILE 145 1HG2 ILE 145 115.999 -21.067 -21.067 1078 1HD1 ILE 145 1HD1 ILE 145 116.731 -18.517 -18.517 1079 2HD1 ILE 145 3HD1 ILE 145 117.082 -17.888 -17.888 1080 3HD1 ILE 145 2HD1 ILE 145 117.946 -17.256 -17.256 1081 H ASP 146 H ASP 146 120.110 -23.855 -23.855 1082 HA ASP 146 HA ASP 146 119.095 -25.732 -25.732 1083 1HB ASP 146 2HB ASP 146 120.705 -26.069 -26.069 1084 2HB ASP 146 1HB ASP 146 119.345 -26.008 -26.008 1085 H ALA 147 H ALA 147 116.948 -25.510 -25.510 1086 HA ALA 147 HA ALA 147 114.673 -24.753 -24.753 1087 1HB ALA 147 2HB ALA 147 115.227 -25.594 -25.594 1088 2HB ALA 147 1HB ALA 147 114.450 -27.053 -27.053 1089 3HB ALA 147 3HB ALA 147 113.576 -25.521 -25.521 1090 H ALA 148 H ALA 148 114.343 -25.549 -25.549 1091 HA ALA 148 HA ALA 148 114.928 -28.049 -28.049 1092 1HB ALA 148 1HB ALA 148 114.064 -26.059 -26.059 1093 2HB ALA 148 3HB ALA 148 112.481 -26.310 -26.310 1094 3HB ALA 148 2HB ALA 148 113.125 -27.497 -27.497 1095 H GLU 149 H GLU 149 114.261 -30.080 -30.080 1096 HA GLU 149 HA GLU 149 112.546 -30.846 -30.846 1097 1HB GLU 149 2HB GLU 149 114.137 -32.163 -32.163 1098 2HB GLU 149 1HB GLU 149 112.738 -32.334 -32.334 1099 1HG GLU 149 2HG GLU 149 112.067 -32.950 -32.950 1100 2HG GLU 149 1HG GLU 149 113.380 -33.968 -33.968 1101 H GLY 150 H GLY 150 110.404 -30.418 -30.418 1102 1HA GLY 150 2HA GLY 150 108.713 -29.613 -29.613 1103 2HA GLY 150 1HA GLY 150 108.232 -29.648 -29.648 1104 HA PRO 151 HA PRO 151 106.905 -33.548 -33.548 1105 1HB PRO 151 2HB PRO 151 104.506 -32.773 -32.773 1106 2HB PRO 151 1HB PRO 151 106.040 -32.673 -32.673 1107 1HG PRO 151 2HG PRO 151 104.489 -30.529 -30.529 1108 2HG PRO 151 1HG PRO 151 105.462 -30.467 -30.467 1109 1HD PRO 151 2HD PRO 151 106.286 -29.527 -29.527 1110 2HD PRO 151 1HD PRO 151 107.375 -30.007 -30.007 1111 H SER 152 H SER 152 103.884 -31.815 -31.815 1112 HA SER 152 HA SER 152 103.641 -32.699 -32.699 1113 1HB SER 152 2HB SER 152 102.323 -34.165 -34.165 1114 2HB SER 152 1HB SER 152 101.693 -34.252 -34.252 1115 HG SER 152 HG SER 152 104.110 -34.745 -34.745 1116 H ASP 153 H ASP 153 102.757 -30.721 -30.721 1117 HA ASP 153 HA ASP 153 100.997 -29.089 -29.089 1118 1HB ASP 153 2HB ASP 153 102.374 -28.749 -28.749 1119 2HB ASP 153 1HB ASP 153 100.888 -29.284 -29.284 1120 H ILE 154 H ILE 154 98.652 -28.613 -28.613 1121 HA ILE 154 HA ILE 154 97.239 -31.213 -31.213 1122 HB ILE 154 HB ILE 154 96.399 -28.879 -28.879 1123 1HG1 ILE 154 2HG1 ILE 154 96.775 -31.429 -31.429 1124 2HG1 ILE 154 1HG1 ILE 154 98.257 -30.936 -30.936 1125 1HG2 ILE 154 3HG2 ILE 154 94.888 -30.972 -30.972 1126 2HG2 ILE 154 2HG2 ILE 154 95.032 -31.359 -31.359 1127 3HG2 ILE 154 1HG2 ILE 154 94.350 -29.812 -29.812 1128 1HD1 ILE 154 1HD1 ILE 154 98.109 -28.716 -28.716 1129 2HD1 ILE 154 3HD1 ILE 154 96.653 -29.240 -29.240 1130 3HD1 ILE 154 2HD1 ILE 154 98.199 -30.017 -30.017 1131 HA PRO 155 HA PRO 155 96.094 -28.186 -28.186 1132 1HB PRO 155 2HB PRO 155 95.992 -30.036 -30.036 1133 2HB PRO 155 1HB PRO 155 97.493 -29.230 -29.230 1134 1HG PRO 155 2HG PRO 155 96.504 -31.957 -31.957 1135 2HG PRO 155 1HG PRO 155 98.151 -31.405 -31.405 1136 1HD PRO 155 2HD PRO 155 97.214 -31.901 -31.901 1137 2HD PRO 155 1HD PRO 155 98.524 -30.755 -30.755 1138 H ASP 156 HN ASP 156 93.929 -27.707 -27.707 1139 HA ASP 156 HA ASP 156 91.949 -29.890 -29.890 1140 1HB ASP 156 2HB ASP 156 92.271 -27.447 -27.447 1141 2HB ASP 156 1HB ASP 156 91.152 -27.033 -27.033 Start of MODEL 10 1 1H MET 1 3H MET 1 117.988 37.331 37.331 2 2H MET 1 2H MET 1 117.790 37.801 37.801 3 3H MET 1 1H MET 1 119.207 37.002 37.002 4 HA MET 1 HA MET 1 118.041 34.966 34.966 5 1HB MET 1 2HB MET 1 118.038 36.503 36.503 6 2HB MET 1 1HB MET 1 116.841 35.209 35.209 7 1HG MET 1 2HG MET 1 119.673 34.718 34.718 8 2HG MET 1 1HG MET 1 119.230 34.628 34.628 9 1HE MET 1 1HE MET 1 120.496 32.686 32.686 10 2HE MET 1 3HE MET 1 119.482 31.455 31.455 11 3HE MET 1 2HE MET 1 119.987 31.273 31.273 12 H GLU 2 H GLU 2 116.361 36.801 36.801 13 HA GLU 2 HA GLU 2 113.655 36.814 36.814 14 1HB GLU 2 2HB GLU 2 115.161 37.730 37.730 15 2HB GLU 2 1HB GLU 2 113.771 36.836 36.836 16 1HG GLU 2 2HG GLU 2 113.188 38.672 38.672 17 2HG GLU 2 1HG GLU 2 113.673 39.456 39.456 18 HA PRO 3 HA PRO 3 112.992 32.995 32.995 19 1HB PRO 3 2HB PRO 3 115.167 31.825 31.825 20 2HB PRO 3 1HB PRO 3 114.246 33.131 33.131 21 1HG PRO 3 2HG PRO 3 116.838 33.255 33.255 22 2HG PRO 3 1HG PRO 3 116.318 34.119 34.119 23 1HD PRO 3 2HD PRO 3 116.373 35.244 35.244 24 2HD PRO 3 1HD PRO 3 115.265 35.757 35.757 25 H ALA 4 H ALA 4 112.893 30.867 30.867 26 HA ALA 4 HA ALA 4 115.041 29.568 29.568 27 1HB ALA 4 1HB ALA 4 112.874 30.966 30.966 28 2HB ALA 4 3HB ALA 4 114.060 29.848 29.848 29 3HB ALA 4 2HB ALA 4 114.588 31.382 31.382 30 H ALA 5 H ALA 5 114.270 27.508 27.508 31 HA ALA 5 HA ALA 5 111.569 26.601 26.601 32 1HB ALA 5 1HB ALA 5 113.110 26.496 26.496 33 2HB ALA 5 3HB ALA 5 112.019 25.160 25.160 34 3HB ALA 5 2HB ALA 5 111.393 26.805 26.805 35 H GLY 6 H GLY 6 112.429 25.518 25.518 36 1HA GLY 6 2HA GLY 6 113.899 23.023 23.023 37 2HA GLY 6 1HA GLY 6 114.532 24.042 24.042 38 H SER 7 H SER 7 113.054 24.442 24.442 39 HA SER 7 HA SER 7 111.617 23.641 23.641 40 1HB SER 7 2HB SER 7 110.129 22.116 22.116 41 2HB SER 7 1HB SER 7 109.488 23.028 23.028 42 HG SER 7 HG SER 7 109.275 24.045 24.045 43 H SER 8 H SER 8 113.919 22.232 22.232 44 HA SER 8 HA SER 8 113.035 19.479 19.479 45 1HB SER 8 2HB SER 8 113.898 18.557 18.557 46 2HB SER 8 1HB SER 8 114.073 20.189 20.189 47 HG SER 8 HG SER 8 116.115 19.595 19.595 48 H MET 9 H MET 9 114.327 21.940 21.940 49 HA MET 9 HA MET 9 116.975 20.846 20.846 50 1HB MET 9 2HB MET 9 116.179 23.326 23.326 51 2HB MET 9 1HB MET 9 115.782 23.358 23.358 52 1HG MET 9 2HG MET 9 118.224 22.288 22.288 53 2HG MET 9 1HG MET 9 118.448 23.152 23.152 54 1HE MET 9 2HE MET 9 117.927 22.888 22.888 55 2HE MET 9 1HE MET 9 118.792 24.283 24.283 56 3HE MET 9 3HE MET 9 117.027 24.308 24.308 57 H GLU 10 H GLU 10 115.099 19.119 19.119 58 HA GLU 10 HA GLU 10 115.259 19.621 19.621 59 1HB GLU 10 2HB GLU 10 112.875 19.986 19.986 60 2HB GLU 10 1HB GLU 10 112.608 18.771 18.771 61 1HG GLU 10 2HG GLU 10 112.354 20.428 20.428 62 2HG GLU 10 1HG GLU 10 114.044 20.860 20.860 63 HA PRO 11 HA PRO 11 115.741 15.193 15.193 64 1HB PRO 11 2HB PRO 11 118.143 14.794 14.794 65 2HB PRO 11 1HB PRO 11 118.008 15.415 15.415 66 1HG PRO 11 2HG PRO 11 118.633 16.846 16.846 67 2HG PRO 11 1HG PRO 11 119.165 17.174 17.174 68 1HD PRO 11 2HD PRO 11 117.164 18.553 18.553 69 2HD PRO 11 1HD PRO 11 117.425 18.572 18.572 70 H SER 12 H SER 12 113.944 14.935 14.935 71 HA SER 12 HA SER 12 114.256 15.059 15.059 72 1HB SER 12 2HB SER 12 112.448 13.211 13.211 73 2HB SER 12 1HB SER 12 112.146 13.894 13.894 74 HG SER 12 HG SER 12 111.788 14.976 14.976 75 H ALA 13 H ALA 13 114.884 13.485 13.485 76 HA ALA 13 HA ALA 13 115.580 10.755 10.755 77 1HB ALA 13 2HB ALA 13 117.492 12.937 12.937 78 2HB ALA 13 1HB ALA 13 117.897 11.278 11.278 79 3HB ALA 13 3HB ALA 13 117.643 11.707 11.707 80 H ASP 14 H ASP 14 115.946 13.047 13.047 81 HA ASP 14 HA ASP 14 115.798 10.973 10.973 82 1HB ASP 14 2HB ASP 14 116.083 13.881 13.881 83 2HB ASP 14 1HB ASP 14 115.124 13.409 13.409 84 H TRP 15 H TRP 15 113.416 12.309 12.309 85 HA TRP 15 HA TRP 15 111.175 12.693 12.693 86 1HB TRP 15 2HB TRP 15 111.666 11.803 11.803 87 2HB TRP 15 1HB TRP 15 110.026 11.753 11.753 88 HD1 TRP 15 HD1 TRP 15 112.092 14.505 14.505 89 HE1 TRP 15 HE1 TRP 15 111.389 16.767 16.767 90 HE3 TRP 15 HE3 TRP 15 109.125 12.873 12.873 91 HZ2 TRP 15 HZ2 TRP 15 109.777 17.753 17.753 92 HZ3 TRP 15 HZ3 TRP 15 108.019 14.494 14.494 93 HH2 TRP 15 HH2 TRP 15 108.341 16.932 16.932 94 H LEU 16 H LEU 16 112.888 9.770 9.770 95 HA LEU 16 HA LEU 16 110.740 7.883 7.883 96 1HB LEU 16 2HB LEU 16 112.509 6.882 6.882 97 2HB LEU 16 1HB LEU 16 113.673 7.983 7.983 98 HG LEU 16 HG LEU 16 113.593 6.701 6.701 99 1HD1 LEU 16 2HD1 LEU 16 111.157 5.782 5.782 100 2HD1 LEU 16 1HD1 LEU 16 112.216 4.376 4.376 101 3HD1 LEU 16 3HD1 LEU 16 111.950 5.217 5.217 102 1HD2 LEU 16 1HD2 LEU 16 114.596 5.789 5.789 103 2HD2 LEU 16 3HD2 LEU 16 115.260 5.498 5.498 104 3HD2 LEU 16 2HD2 LEU 16 114.075 4.383 4.383 105 H ALA 17 H ALA 17 113.410 8.819 8.819 106 HA ALA 17 HA ALA 17 112.221 7.458 7.458 107 1HB ALA 17 1HB ALA 17 114.657 8.009 8.009 108 2HB ALA 17 3HB ALA 17 114.262 9.703 9.703 109 3HB ALA 17 2HB ALA 17 114.047 8.509 8.509 110 H THR 18 H THR 18 112.361 10.861 10.861 111 HA THR 18 HA THR 18 111.165 12.186 12.186 112 HB THR 18 HB THR 18 111.102 12.441 12.441 113 HG1 THR 18 HG1 THR 18 112.554 13.930 13.930 114 1HG2 THR 18 3HG2 THR 18 109.654 14.274 14.274 115 2HG2 THR 18 2HG2 THR 18 109.950 14.625 14.625 116 3HG2 THR 18 1HG2 THR 18 108.902 13.281 13.281 117 H ALA 19 H ALA 19 109.309 10.980 10.980 118 HA ALA 19 HA ALA 19 106.713 11.286 11.286 119 1HB ALA 19 3HB ALA 19 107.968 9.223 9.223 120 2HB ALA 19 2HB ALA 19 106.227 9.376 9.376 121 3HB ALA 19 1HB ALA 19 107.147 10.711 10.711 122 H ALA 20 H ALA 20 108.940 8.527 8.527 123 HA ALA 20 HA ALA 20 107.256 6.730 6.730 124 1HB ALA 20 2HB ALA 20 109.552 6.386 6.386 125 2HB ALA 20 1HB ALA 20 110.224 7.211 7.211 126 3HB ALA 20 3HB ALA 20 109.360 5.690 5.690 127 H ALA 21 H ALA 21 109.587 9.103 9.103 128 HA ALA 21 HA ALA 21 109.163 8.723 8.723 129 1HB ALA 21 3HB ALA 21 110.563 10.416 10.416 130 2HB ALA 21 2HB ALA 21 109.338 11.522 11.522 131 3HB ALA 21 1HB ALA 21 110.393 10.652 10.652 132 H ARG 22 H ARG 22 107.040 10.218 10.218 133 HA ARG 22 HA ARG 22 105.216 11.162 11.162 134 1HB ARG 22 2HB ARG 22 105.444 11.683 11.683 135 2HB ARG 22 1HB ARG 22 104.174 12.368 12.368 136 1HG ARG 22 2HG ARG 22 106.273 13.066 13.066 137 2HG ARG 22 1HG ARG 22 107.096 12.990 12.990 138 1HD ARG 22 2HD ARG 22 105.681 14.661 14.661 139 2HD ARG 22 1HD ARG 22 104.511 14.524 14.524 140 HE ARG 22 HE ARG 22 107.111 15.163 15.163 141 1HH1 ARG 22 1HH2 ARG 22 104.023 16.336 16.336 142 2HH1 ARG 22 2HH2 ARG 22 104.461 18.010 18.010 143 1HH2 ARG 22 2HH1 ARG 22 107.868 17.384 17.384 144 2HH2 ARG 22 1HH1 ARG 22 106.642 18.605 18.605 145 H GLY 23 H GLY 23 105.589 8.308 8.308 146 1HA GLY 23 2HA GLY 23 104.333 6.434 6.434 147 2HA GLY 23 1HA GLY 23 103.036 7.277 7.277 148 H ARG 24 H ARG 24 104.680 8.202 8.202 149 HA ARG 24 HA ARG 24 102.008 8.353 8.353 150 1HB ARG 24 2HB ARG 24 104.768 9.395 9.395 151 2HB ARG 24 1HB ARG 24 103.309 9.716 9.716 152 1HG ARG 24 2HG ARG 24 102.352 10.509 10.509 153 2HG ARG 24 1HG ARG 24 104.057 10.704 10.704 154 1HD ARG 24 2HD ARG 24 104.343 12.452 12.452 155 2HD ARG 24 1HD ARG 24 103.155 11.806 11.806 156 HE ARG 24 HE ARG 24 102.108 12.726 12.726 157 1HH1 ARG 24 1HH2 ARG 24 103.231 14.114 14.114 158 2HH1 ARG 24 2HH2 ARG 24 101.765 14.960 14.960 159 1HH2 ARG 24 2HH1 ARG 24 99.943 13.446 13.446 160 2HH2 ARG 24 1HH1 ARG 24 99.901 14.581 14.581 161 H VAL 25 H VAL 25 102.668 5.734 5.734 162 HA VAL 25 HA VAL 25 104.348 4.324 4.324 163 HB VAL 25 HB VAL 25 101.360 3.924 3.924 164 1HG1 VAL 25 1HG1 VAL 25 103.563 2.186 2.186 165 2HG1 VAL 25 3HG1 VAL 25 102.229 1.447 1.447 166 3HG1 VAL 25 2HG1 VAL 25 101.907 2.370 2.370 167 1HG2 VAL 25 1HG2 VAL 25 103.525 3.902 3.902 168 2HG2 VAL 25 3HG2 VAL 25 101.845 3.453 3.453 169 3HG2 VAL 25 2HG2 VAL 25 103.009 2.231 2.231 170 H GLU 26 H GLU 26 101.186 5.575 5.575 171 HA GLU 26 HA GLU 26 101.296 4.834 4.834 172 1HB GLU 26 2HB GLU 26 100.315 7.404 7.404 173 2HB GLU 26 1HB GLU 26 99.826 6.823 6.823 174 1HG GLU 26 2HG GLU 26 99.284 4.609 4.609 175 2HG GLU 26 1HG GLU 26 99.115 5.775 5.775 176 H GLU 27 H GLU 27 102.406 7.985 7.985 177 HA GLU 27 HA GLU 27 103.575 9.018 9.018 178 1HB GLU 27 2HB GLU 27 103.201 9.865 9.865 179 2HB GLU 27 1HB GLU 27 104.896 9.403 9.403 180 1HG GLU 27 2HG GLU 27 105.093 11.612 11.612 181 2HG GLU 27 1HG GLU 27 105.149 10.750 10.750 182 H VAL 28 H VAL 28 104.928 6.833 6.833 183 HA VAL 28 HA VAL 28 107.594 6.741 6.741 184 HB VAL 28 HB VAL 28 106.183 4.697 4.697 185 1HG1 VAL 28 2HG1 VAL 28 108.872 5.031 5.031 186 2HG1 VAL 28 1HG1 VAL 28 108.868 5.193 5.193 187 3HG1 VAL 28 3HG1 VAL 28 108.217 3.737 3.737 188 1HG2 VAL 28 3HG2 VAL 28 107.020 7.488 7.488 189 2HG2 VAL 28 2HG2 VAL 28 105.836 6.485 6.485 190 3HG2 VAL 28 1HG2 VAL 28 107.553 6.301 6.301 191 H ARG 29 H ARG 29 104.941 4.301 4.301 192 HA ARG 29 HA ARG 29 105.940 2.282 2.282 193 1HB ARG 29 2HB ARG 29 103.346 3.516 3.516 194 2HB ARG 29 1HB ARG 29 103.399 2.778 2.778 195 1HG ARG 29 2HG ARG 29 102.797 0.932 0.932 196 2HG ARG 29 1HG ARG 29 104.554 0.789 0.789 197 1HD ARG 29 2HD ARG 29 104.666 1.555 1.555 198 2HD ARG 29 1HD ARG 29 103.141 2.452 2.452 199 HE ARG 29 HE ARG 29 103.389 -0.334 -0.334 200 1HH1 ARG 29 1HH2 ARG 29 101.376 2.046 2.046 201 2HH1 ARG 29 2HH2 ARG 29 99.957 1.055 1.055 202 1HH2 ARG 29 2HH1 ARG 29 101.560 -1.647 -1.647 203 2HH2 ARG 29 1HH1 ARG 29 100.058 -1.018 -1.018 204 H ALA 30 H ALA 30 104.427 5.238 5.238 205 HA ALA 30 HA ALA 30 105.186 4.601 4.601 206 1HB ALA 30 3HB ALA 30 103.223 5.961 5.961 207 2HB ALA 30 2HB ALA 30 104.300 7.187 7.187 208 3HB ALA 30 1HB ALA 30 104.294 6.866 6.866 209 H LEU 31 H LEU 31 106.345 7.041 7.041 210 HA LEU 31 HA LEU 31 108.390 8.267 8.267 211 1HB LEU 31 2HB LEU 31 107.931 7.498 7.498 212 2HB LEU 31 1HB LEU 31 109.506 8.162 8.162 213 HG LEU 31 HG LEU 31 106.874 9.468 9.468 214 1HD1 LEU 31 1HD1 LEU 31 108.785 10.038 10.038 215 2HD1 LEU 31 3HD1 LEU 31 107.462 11.098 11.098 216 3HD1 LEU 31 2HD1 LEU 31 107.116 9.485 9.485 217 1HD2 LEU 31 1HD2 LEU 31 109.485 9.811 9.811 218 2HD2 LEU 31 3HD2 LEU 31 108.129 10.920 10.920 219 3HD2 LEU 31 2HD2 LEU 31 109.249 11.142 11.142 220 H LEU 32 H LEU 32 108.855 5.380 5.380 221 HA LEU 32 HA LEU 32 111.515 4.748 4.748 222 1HB LEU 32 2HB LEU 32 109.605 3.690 3.690 223 2HB LEU 32 1HB LEU 32 109.443 2.606 2.606 224 HG LEU 32 HG LEU 32 111.019 1.471 1.471 225 1HD1 LEU 32 2HD1 LEU 32 111.971 1.902 1.902 226 2HD1 LEU 32 1HD1 LEU 32 112.732 3.365 3.365 227 3HD1 LEU 32 3HD1 LEU 32 113.230 1.795 1.795 228 1HD2 LEU 32 3HD2 LEU 32 112.060 4.195 4.195 229 2HD2 LEU 32 2HD2 LEU 32 111.289 3.000 3.000 230 3HD2 LEU 32 1HD2 LEU 32 112.908 2.702 2.702 231 H GLU 33 H GLU 33 108.575 3.629 3.629 232 HA GLU 33 HA GLU 33 109.995 2.310 2.310 233 1HB GLU 33 2HB GLU 33 107.236 2.994 2.994 234 2HB GLU 33 1HB GLU 33 107.467 2.846 2.846 235 1HG GLU 33 2HG GLU 33 108.717 0.647 0.647 236 2HG GLU 33 1HG GLU 33 107.943 0.771 0.771 237 H ALA 34 H ALA 34 109.198 5.611 5.611 238 HA ALA 34 HA ALA 34 109.215 6.521 6.521 239 1HB ALA 34 2HB ALA 34 108.158 7.446 7.446 240 2HB ALA 34 1HB ALA 34 109.669 8.354 8.354 241 3HB ALA 34 3HB ALA 34 108.548 8.513 8.513 242 H GLY 35 H GLY 35 111.613 5.552 5.552 243 1HA GLY 35 2HA GLY 35 113.917 5.516 5.516 244 2HA GLY 35 1HA GLY 35 113.641 7.187 7.187 245 H ALA 36 H ALA 36 112.372 6.354 6.354 246 HA ALA 36 HA ALA 36 113.900 8.286 8.286 247 1HB ALA 36 2HB ALA 36 111.769 6.589 6.589 248 2HB ALA 36 1HB ALA 36 112.998 5.959 5.959 249 3HB ALA 36 3HB ALA 36 112.493 7.646 7.646 250 H LEU 37 H LEU 37 115.565 7.864 7.864 251 HA LEU 37 HA LEU 37 117.482 5.777 5.777 252 1HB LEU 37 2HB LEU 37 117.773 8.410 8.410 253 2HB LEU 37 1HB LEU 37 118.138 7.862 7.862 254 HG LEU 37 HG LEU 37 119.558 6.066 6.066 255 1HD1 LEU 37 3HD1 LEU 37 118.876 8.079 8.079 256 2HD1 LEU 37 2HD1 LEU 37 120.512 8.502 8.502 257 3HD1 LEU 37 1HD1 LEU 37 120.186 6.915 6.915 258 1HD2 LEU 37 1HD2 LEU 37 120.071 8.337 8.337 259 2HD2 LEU 37 3HD2 LEU 37 120.999 6.849 6.849 260 3HD2 LEU 37 2HD2 LEU 37 121.313 8.219 8.219 261 HA PRO 38 HA PRO 38 116.236 3.630 3.630 262 1HB PRO 38 2HB PRO 38 117.581 1.313 1.313 263 2HB PRO 38 1HB PRO 38 115.990 1.699 1.699 264 1HG PRO 38 2HG PRO 38 118.688 1.910 1.910 265 2HG PRO 38 1HG PRO 38 117.151 1.419 1.419 266 1HD PRO 38 2HD PRO 38 118.269 3.889 3.889 267 2HD PRO 38 1HD PRO 38 116.524 3.574 3.574 268 H ASN 39 H ASN 39 119.232 4.768 4.768 269 HA ASN 39 HA ASN 39 120.512 4.095 4.095 270 1HB ASN 39 2HB ASN 39 121.336 3.670 3.670 271 2HB ASN 39 1HB ASN 39 122.595 4.292 4.292 272 1HD2 ASN 39 1HD2 ASN 39 119.984 1.787 1.787 273 2HD2 ASN 39 2HD2 ASN 39 120.959 0.625 0.625 274 H ALA 40 H ALA 40 119.050 6.528 6.528 275 HA ALA 40 HA ALA 40 121.011 8.599 8.599 276 1HB ALA 40 2HB ALA 40 118.182 8.246 8.246 277 2HB ALA 40 1HB ALA 40 118.584 9.609 9.609 278 3HB ALA 40 3HB ALA 40 119.071 9.624 9.624 279 HA PRO 41 HA PRO 41 122.295 9.116 9.116 280 1HB PRO 41 2HB PRO 41 123.788 11.378 11.378 281 2HB PRO 41 1HB PRO 41 124.352 9.766 9.766 282 1HG PRO 41 2HG PRO 41 123.230 11.961 11.961 283 2HG PRO 41 1HG PRO 41 124.506 10.795 10.795 284 1HD PRO 41 2HD PRO 41 121.917 10.617 10.617 285 2HD PRO 41 1HD PRO 41 123.022 9.236 9.236 286 H ASN 42 H ASN 42 120.144 9.698 9.698 287 HA ASN 42 HA ASN 42 118.924 12.263 12.263 288 1HB ASN 42 2HB ASN 42 118.519 9.813 9.813 289 2HB ASN 42 1HB ASN 42 118.303 11.151 11.151 290 1HD2 ASN 42 1HD2 ASN 42 117.280 13.097 13.097 291 2HD2 ASN 42 2HD2 ASN 42 115.749 12.566 12.566 292 H SER 43 H SER 43 118.699 13.901 13.901 293 HA SER 43 HA SER 43 121.363 14.609 14.609 294 1HB SER 43 2HB SER 43 119.753 16.554 16.554 295 2HB SER 43 1HB SER 43 120.228 16.453 16.453 296 HG SER 43 HG SER 43 117.837 15.561 15.561 297 H TYR 44 H TYR 44 119.622 12.295 12.295 298 HA TYR 44 HA TYR 44 119.629 13.285 13.285 299 1HB TYR 44 2HB TYR 44 118.009 10.984 10.984 300 2HB TYR 44 1HB TYR 44 117.730 11.886 11.886 301 HD1 TYR 44 HD2 TYR 44 117.284 14.459 14.459 302 HD2 TYR 44 HD1 TYR 44 116.837 11.586 11.586 303 HE1 TYR 44 HE2 TYR 44 115.811 16.033 16.033 304 HE2 TYR 44 HE1 TYR 44 115.363 13.161 13.161 305 HH TYR 44 HH TYR 44 114.343 15.139 15.139 306 H GLY 45 H GLY 45 121.636 11.733 11.733 307 1HA GLY 45 2HA GLY 45 123.188 9.997 9.997 308 2HA GLY 45 1HA GLY 45 123.012 10.273 10.273 309 H ARG 46 H ARG 46 120.211 9.415 9.415 310 HA ARG 46 HA ARG 46 120.251 6.696 6.696 311 1HB ARG 46 2HB ARG 46 118.316 8.895 8.895 312 2HB ARG 46 1HB ARG 46 117.628 7.348 7.348 313 1HG ARG 46 2HG ARG 46 117.640 6.550 6.550 314 2HG ARG 46 1HG ARG 46 119.285 7.115 7.115 315 1HD ARG 46 2HD ARG 46 118.574 9.051 9.051 316 2HD ARG 46 1HD ARG 46 117.229 9.252 9.252 317 HE ARG 46 HE ARG 46 115.870 7.911 7.911 318 1HH1 ARG 46 2HH1 ARG 46 118.250 5.889 5.889 319 2HH1 ARG 46 1HH1 ARG 46 118.398 5.890 5.890 320 1HH2 ARG 46 1HH2 ARG 46 116.450 8.724 8.724 321 2HH2 ARG 46 2HH2 ARG 46 117.375 7.489 7.489 322 H ARG 47 H ARG 47 118.290 5.465 5.465 323 HA ARG 47 HA ARG 47 119.332 5.329 5.329 324 1HB ARG 47 2HB ARG 47 117.561 3.367 3.367 325 2HB ARG 47 1HB ARG 47 118.581 3.045 3.045 326 1HG ARG 47 2HG ARG 47 119.577 3.800 3.800 327 2HG ARG 47 1HG ARG 47 119.627 2.184 2.184 328 1HD ARG 47 2HD ARG 47 121.396 2.698 2.698 329 2HD ARG 47 1HD ARG 47 120.867 4.378 4.378 330 HE ARG 47 HE ARG 47 121.788 3.613 3.613 331 1HH1 ARG 47 2HH1 ARG 47 123.031 4.486 4.486 332 2HH1 ARG 47 1HH1 ARG 47 124.017 5.776 5.776 333 1HH2 ARG 47 1HH2 ARG 47 122.768 5.595 5.595 334 2HH2 ARG 47 2HH2 ARG 47 123.866 6.405 6.405 335 HA PRO 48 HA PRO 48 115.536 6.730 6.730 336 1HB PRO 48 2HB PRO 48 115.010 4.926 4.926 337 2HB PRO 48 1HB PRO 48 116.289 6.149 6.149 338 1HG PRO 48 2HG PRO 48 116.502 3.259 3.259 339 2HG PRO 48 1HG PRO 48 117.548 4.240 4.240 340 1HD PRO 48 2HD PRO 48 118.209 3.628 3.628 341 2HD PRO 48 1HD PRO 48 118.679 5.168 5.168 342 H ILE 49 H ILE 49 115.718 3.639 3.639 343 HA ILE 49 HA ILE 49 112.736 3.348 3.348 344 HB ILE 49 HB ILE 49 115.067 1.469 1.469 345 1HG1 ILE 49 2HG1 ILE 49 112.916 1.772 1.772 346 2HG1 ILE 49 1HG1 ILE 49 114.650 1.533 1.533 347 1HG2 ILE 49 1HG2 ILE 49 113.222 1.098 1.098 348 2HG2 ILE 49 3HG2 ILE 49 112.122 0.815 0.815 349 3HG2 ILE 49 2HG2 ILE 49 113.484 -0.271 -0.271 350 1HD1 ILE 49 3HD1 ILE 49 114.269 -0.774 -0.774 351 2HD1 ILE 49 2HD1 ILE 49 112.561 -0.502 -0.502 352 3HD1 ILE 49 1HD1 ILE 49 113.723 -0.573 -0.573 353 H GLN 50 H GLN 50 115.644 3.364 3.364 354 HA GLN 50 HA GLN 50 114.556 3.052 3.052 355 1HB GLN 50 2HB GLN 50 116.880 4.352 4.352 356 2HB GLN 50 1HB GLN 50 116.488 4.989 4.989 357 1HG GLN 50 2HG GLN 50 116.236 2.235 2.235 358 2HG GLN 50 1HG GLN 50 117.638 2.402 2.402 359 1HE2 GLN 50 1HE2 GLN 50 119.406 3.911 3.911 360 2HE2 GLN 50 2HE2 GLN 50 119.617 4.080 4.080 361 H VAL 51 H VAL 51 114.113 5.712 5.712 362 HA VAL 51 HA VAL 51 112.788 7.291 7.291 363 HB VAL 51 HB VAL 51 114.803 8.271 8.271 364 1HG1 VAL 51 1HG1 VAL 51 113.935 7.139 7.139 365 2HG1 VAL 51 3HG1 VAL 51 113.140 8.699 8.699 366 3HG1 VAL 51 2HG1 VAL 51 114.893 8.617 8.617 367 1HG2 VAL 51 1HG2 VAL 51 112.255 9.455 9.455 368 2HG2 VAL 51 3HG2 VAL 51 113.829 10.254 10.254 369 3HG2 VAL 51 2HG2 VAL 51 112.879 10.147 10.147 370 H MET 52 H MET 52 111.472 5.096 5.096 371 HA MET 52 HA MET 52 109.680 6.570 6.570 372 1HB MET 52 2HB MET 52 108.863 4.290 4.290 373 2HB MET 52 1HB MET 52 110.612 4.400 4.400 374 1HG MET 52 2HG MET 52 110.870 2.747 2.747 375 2HG MET 52 1HG MET 52 110.002 3.686 3.686 376 1HE MET 52 2HE MET 52 110.488 0.762 0.762 377 2HE MET 52 1HE MET 52 109.244 0.532 0.532 378 3HE MET 52 3HE MET 52 109.072 -0.217 -0.217 379 H MET 53 H MET 53 109.587 7.108 7.108 380 HA MET 53 HA MET 53 107.909 7.512 7.512 381 1HB MET 53 2HB MET 53 106.662 7.582 7.582 382 2HB MET 53 1HB MET 53 105.884 6.137 6.137 383 1HG MET 53 2HG MET 53 105.419 7.495 7.495 384 2HG MET 53 1HG MET 53 105.909 8.919 8.919 385 1HE MET 53 1HE MET 53 103.687 6.013 6.013 386 2HE MET 53 3HE MET 53 102.308 6.186 6.186 387 3HE MET 53 2HE MET 53 103.868 5.647 5.647 388 H MET 54 H MET 54 108.793 4.424 4.424 389 HA MET 54 HA MET 54 108.485 2.242 2.242 390 1HB MET 54 2HB MET 54 108.976 4.198 4.198 391 2HB MET 54 1HB MET 54 108.413 2.610 2.610 392 1HG MET 54 2HG MET 54 110.908 2.744 2.744 393 2HG MET 54 1HG MET 54 110.218 1.514 1.514 394 1HE MET 54 2HE MET 54 110.797 1.089 1.089 395 2HE MET 54 1HE MET 54 111.436 2.069 2.069 396 3HE MET 54 3HE MET 54 112.493 1.570 1.570 397 H GLY 55 H GLY 55 106.007 3.828 3.828 398 1HA GLY 55 2HA GLY 55 104.118 2.303 2.303 399 2HA GLY 55 1HA GLY 55 103.771 3.950 3.950 400 H SER 56 H SER 56 105.459 2.193 2.193 401 HA SER 56 HA SER 56 103.023 1.125 1.125 402 1HB SER 56 2HB SER 56 104.635 3.524 3.524 403 2HB SER 56 1HB SER 56 104.068 2.487 2.487 404 HG SER 56 HG SER 56 102.267 3.199 3.199 405 H ALA 57 H ALA 57 104.041 -0.961 -0.961 406 HA ALA 57 HA ALA 57 106.732 -1.596 -1.596 407 1HB ALA 57 1HB ALA 57 104.098 -3.067 -3.067 408 2HB ALA 57 3HB ALA 57 105.580 -3.883 -3.883 409 3HB ALA 57 2HB ALA 57 105.438 -3.230 -3.230 410 H ARG 58 H ARG 58 103.870 -1.209 -1.209 411 HA ARG 58 HA ARG 58 104.728 -2.320 -2.320 412 1HB ARG 58 2HB ARG 58 102.875 -0.253 -0.253 413 2HB ARG 58 1HB ARG 58 103.410 0.007 0.007 414 1HG ARG 58 2HG ARG 58 101.634 -1.414 -1.414 415 2HG ARG 58 1HG ARG 58 102.918 -2.606 -2.606 416 1HD ARG 58 2HD ARG 58 102.167 -3.239 -3.239 417 2HD ARG 58 1HD ARG 58 101.406 -1.667 -1.667 418 HE ARG 58 HE ARG 58 100.287 -3.780 -3.780 419 1HH1 ARG 58 1HH2 ARG 58 99.542 -1.853 -1.853 420 2HH1 ARG 58 2HH2 ARG 58 98.096 -1.169 -1.169 421 1HH2 ARG 58 2HH1 ARG 58 98.659 -2.424 -2.424 422 2HH2 ARG 58 1HH1 ARG 58 97.593 -1.501 -1.501 423 H VAL 59 H VAL 59 105.443 0.918 0.918 424 HA VAL 59 HA VAL 59 106.802 2.116 2.116 425 HB VAL 59 HB VAL 59 107.470 2.066 2.066 426 1HG1 VAL 59 3HG1 VAL 59 108.821 3.307 3.307 427 2HG1 VAL 59 2HG1 VAL 59 108.146 4.545 4.545 428 3HG1 VAL 59 1HG1 VAL 59 109.253 3.339 3.339 429 1HG2 VAL 59 3HG2 VAL 59 105.139 2.819 2.819 430 2HG2 VAL 59 2HG2 VAL 59 106.034 3.950 3.950 431 3HG2 VAL 59 1HG2 VAL 59 105.969 4.191 4.191 432 H ALA 60 H ALA 60 108.242 0.010 0.010 433 HA ALA 60 HA ALA 60 110.829 -0.227 -0.227 434 1HB ALA 60 3HB ALA 60 109.232 -2.064 -2.064 435 2HB ALA 60 2HB ALA 60 110.965 -2.210 -2.210 436 3HB ALA 60 1HB ALA 60 110.325 -0.783 -0.783 437 H GLU 61 H GLU 61 107.887 -2.258 -2.258 438 HA GLU 61 HA GLU 61 108.789 -4.408 -4.408 439 1HB GLU 61 2HB GLU 61 106.374 -3.328 -3.328 440 2HB GLU 61 1HB GLU 61 106.274 -3.212 -3.212 441 1HG GLU 61 2HG GLU 61 106.884 -5.611 -5.611 442 2HG GLU 61 1HG GLU 61 106.911 -5.719 -5.719 443 H LEU 62 H LEU 62 108.262 -1.076 -1.076 444 HA LEU 62 HA LEU 62 108.802 -1.742 -1.742 445 1HB LEU 62 2HB LEU 62 107.123 -0.122 -0.122 446 2HB LEU 62 1HB LEU 62 107.968 0.632 0.632 447 HG LEU 62 HG LEU 62 109.785 1.212 1.212 448 1HD1 LEU 62 1HD1 LEU 62 108.009 -0.276 -0.276 449 2HD1 LEU 62 3HD1 LEU 62 107.967 1.395 1.395 450 3HD1 LEU 62 2HD1 LEU 62 109.500 0.531 0.531 451 1HD2 LEU 62 1HD2 LEU 62 107.255 2.451 2.451 452 2HD2 LEU 62 3HD2 LEU 62 108.823 3.209 3.209 453 3HD2 LEU 62 2HD2 LEU 62 107.755 2.890 2.890 454 H LEU 63 H LEU 63 110.163 0.227 0.227 455 HA LEU 63 HA LEU 63 112.579 1.043 1.043 456 1HB LEU 63 2HB LEU 63 111.464 0.665 0.665 457 2HB LEU 63 1HB LEU 63 113.222 0.754 0.754 458 HG LEU 63 HG LEU 63 111.887 2.772 2.772 459 1HD1 LEU 63 3HD1 LEU 63 110.727 2.293 2.293 460 2HD1 LEU 63 2HD1 LEU 63 111.748 3.718 3.718 461 3HD1 LEU 63 1HD1 LEU 63 110.485 3.703 3.703 462 1HD2 LEU 63 2HD2 LEU 63 114.355 2.377 2.377 463 2HD2 LEU 63 1HD2 LEU 63 113.777 3.938 3.938 464 3HD2 LEU 63 3HD2 LEU 63 113.655 3.523 3.523 465 H LEU 64 H LEU 64 112.048 -1.721 -1.721 466 HA LEU 64 HA LEU 64 114.614 -2.931 -2.931 467 1HB LEU 64 2HB LEU 64 112.256 -3.335 -3.335 468 2HB LEU 64 1HB LEU 64 112.398 -4.785 -4.785 469 HG LEU 64 HG LEU 64 114.886 -4.781 -4.781 470 1HD1 LEU 64 2HD1 LEU 64 114.738 -2.500 -2.500 471 2HD1 LEU 64 1HD1 LEU 64 113.625 -3.140 -3.140 472 3HD1 LEU 64 3HD1 LEU 64 115.289 -3.722 -3.722 473 1HD2 LEU 64 3HD2 LEU 64 112.905 -6.305 -6.305 474 2HD2 LEU 64 2HD2 LEU 64 114.355 -6.263 -6.263 475 3HD2 LEU 64 1HD2 LEU 64 112.929 -5.340 -5.340 476 H LEU 65 H LEU 65 111.502 -3.556 -3.556 477 HA LEU 65 HA LEU 65 112.303 -5.665 -5.665 478 1HB LEU 65 2HB LEU 65 110.039 -5.120 -5.120 479 2HB LEU 65 1HB LEU 65 110.361 -3.389 -3.389 480 HG LEU 65 HG LEU 65 111.116 -3.469 -3.469 481 1HD1 LEU 65 2HD1 LEU 65 111.613 -6.156 -6.156 482 2HD1 LEU 65 1HD1 LEU 65 110.223 -6.201 -6.201 483 3HD1 LEU 65 3HD1 LEU 65 111.701 -5.380 -5.380 484 1HD2 LEU 65 1HD2 LEU 65 108.441 -4.544 -4.544 485 2HD2 LEU 65 3HD2 LEU 65 108.849 -3.058 -3.058 486 3HD2 LEU 65 2HD2 LEU 65 108.871 -4.605 -4.605 487 H HIS 66 H HIS 66 112.906 -2.213 -2.213 488 HA HIS 66 HA HIS 66 114.238 -2.390 -2.390 489 1HB HIS 66 2HB HIS 66 113.046 -0.445 -0.445 490 2HB HIS 66 1HB HIS 66 114.439 0.139 0.139 491 HD1 HIS 66 HD1 HIS 66 110.888 -0.782 -0.782 492 HD2 HIS 66 HD2 HIS 66 114.111 0.054 0.054 493 HE1 HIS 66 HE1 HIS 66 109.927 -0.393 -0.393 494 H GLY 67 H GLY 67 115.105 -3.000 -3.000 495 1HA GLY 67 2HA GLY 67 117.212 -3.460 -3.460 496 2HA GLY 67 1HA GLY 67 117.926 -2.844 -2.844 497 H ALA 68 H ALA 68 116.031 -1.556 -1.556 498 HA ALA 68 HA ALA 68 117.178 1.106 1.106 499 1HB ALA 68 3HB ALA 68 114.951 0.516 0.516 500 2HB ALA 68 2HB ALA 68 115.764 -0.324 -0.324 501 3HB ALA 68 1HB ALA 68 115.937 1.423 1.423 502 H GLU 69 H GLU 69 117.709 1.376 1.376 503 HA GLU 69 HA GLU 69 120.372 0.001 0.001 504 1HB GLU 69 2HB GLU 69 119.540 2.738 2.738 505 2HB GLU 69 1HB GLU 69 120.225 2.270 2.270 506 1HG GLU 69 2HG GLU 69 122.154 1.241 1.241 507 2HG GLU 69 1HG GLU 69 121.529 2.228 2.228 508 HA PRO 70 HA PRO 70 117.673 -1.240 -1.240 509 1HB PRO 70 2HB PRO 70 117.509 -3.916 -3.916 510 2HB PRO 70 1HB PRO 70 116.337 -2.733 -2.733 511 1HG PRO 70 2HG PRO 70 118.658 -3.986 -3.986 512 2HG PRO 70 1HG PRO 70 117.026 -3.658 -3.658 513 1HD PRO 70 2HD PRO 70 119.150 -2.081 -2.081 514 2HD PRO 70 1HD PRO 70 117.486 -1.467 -1.467 515 H ASN 71 H ASN 71 120.720 -1.770 -1.770 516 HA ASN 71 HA ASN 71 121.640 -3.571 -3.571 517 1HB ASN 71 2HB ASN 71 122.361 -4.226 -4.226 518 2HB ASN 71 1HB ASN 71 122.731 -2.566 -2.566 519 1HD2 ASN 71 1HD2 ASN 71 123.669 -4.346 -4.346 520 2HD2 ASN 71 2HD2 ASN 71 125.339 -4.164 -4.164 521 H CYS 72 H CYS 72 123.224 -0.828 -0.828 522 HA CYS 72 HA CYS 72 124.835 0.045 0.045 523 1HB CYS 72 2HB CYS 72 123.976 0.924 0.924 524 2HB CYS 72 1HB CYS 72 123.763 2.293 2.293 525 HG CYS 72 HG CYS 72 126.414 1.442 1.442 526 H ALA 73 H ALA 73 124.521 1.138 1.138 527 HA ALA 73 HA ALA 73 121.828 2.338 2.338 528 1HB ALA 73 2HB ALA 73 122.203 0.122 0.122 529 2HB ALA 73 1HB ALA 73 123.651 0.760 0.760 530 3HB ALA 73 3HB ALA 73 122.065 1.404 1.404 531 H ASP 74 H ASP 74 123.285 2.890 2.890 532 HA ASP 74 HA ASP 74 124.654 5.375 5.375 533 1HB ASP 74 2HB ASP 74 122.890 4.607 4.607 534 2HB ASP 74 1HB ASP 74 124.163 5.774 5.774 535 HA PRO 75 HA PRO 75 128.251 3.286 3.286 536 1HB PRO 75 2HB PRO 75 130.093 5.187 5.187 537 2HB PRO 75 1HB PRO 75 129.393 4.042 4.042 538 1HG PRO 75 2HG PRO 75 128.790 6.907 6.907 539 2HG PRO 75 1HG PRO 75 128.740 5.941 5.941 540 1HD PRO 75 2HD PRO 75 126.535 6.695 6.695 541 2HD PRO 75 1HD PRO 75 126.562 5.404 5.404 542 H ALA 76 H ALA 76 126.625 5.827 5.827 543 HA ALA 76 HA ALA 76 128.700 6.446 6.446 544 1HB ALA 76 1HB ALA 76 126.757 7.950 7.950 545 2HB ALA 76 3HB ALA 76 126.279 7.978 7.978 546 3HB ALA 76 2HB ALA 76 127.880 8.544 8.544 547 H THR 77 H THR 77 125.295 5.484 5.484 548 HA THR 77 HA THR 77 125.344 4.324 4.324 549 HB THR 77 HB THR 77 122.704 4.874 4.874 550 HG1 THR 77 HG1 THR 77 123.512 6.586 6.586 551 1HG2 THR 77 2HG2 THR 77 124.218 5.133 5.133 552 2HG2 THR 77 1HG2 THR 77 123.128 6.492 6.492 553 3HG2 THR 77 3HG2 THR 77 122.496 4.846 4.846 554 H LEU 78 H LEU 78 125.461 3.507 3.507 555 HA LEU 78 HA LEU 78 124.969 1.550 1.550 556 1HB LEU 78 2HB LEU 78 125.464 0.891 0.891 557 2HB LEU 78 1HB LEU 78 124.387 -0.282 -0.282 558 HG LEU 78 HG LEU 78 127.166 0.507 0.507 559 1HD1 LEU 78 3HD1 LEU 78 126.740 -1.251 -1.251 560 2HD1 LEU 78 2HD1 LEU 78 126.007 -2.231 -2.231 561 3HD1 LEU 78 1HD1 LEU 78 127.707 -1.771 -1.771 562 1HD2 LEU 78 2HD2 LEU 78 124.898 -0.712 -0.712 563 2HD2 LEU 78 1HD2 LEU 78 126.256 0.241 0.241 564 3HD2 LEU 78 3HD2 LEU 78 126.479 -1.464 -1.464 565 H THR 79 H THR 79 122.665 3.344 3.344 566 HA THR 79 HA THR 79 120.384 1.779 1.779 567 HB THR 79 HB THR 79 120.036 4.045 4.045 568 HG1 THR 79 HG1 THR 79 121.021 4.644 4.644 569 1HG2 THR 79 1HG2 THR 79 118.360 2.885 2.885 570 2HG2 THR 79 3HG2 THR 79 119.126 3.914 3.914 571 3HG2 THR 79 2HG2 THR 79 118.322 4.640 4.640 572 H ARG 80 H ARG 80 120.532 -0.199 -0.199 573 HA ARG 80 HA ARG 80 120.629 -0.172 -0.172 574 1HB ARG 80 2HB ARG 80 120.346 -2.058 -2.058 575 2HB ARG 80 1HB ARG 80 119.448 -2.551 -2.551 576 1HG ARG 80 2HG ARG 80 121.985 -1.579 -1.579 577 2HG ARG 80 1HG ARG 80 122.281 -2.697 -2.697 578 1HD ARG 80 2HD ARG 80 120.428 -4.128 -4.128 579 2HD ARG 80 1HD ARG 80 121.148 -3.234 -3.234 580 HE ARG 80 HE ARG 80 122.475 -5.294 -5.294 581 1HH1 ARG 80 2HH1 ARG 80 122.838 -2.557 -2.557 582 2HH1 ARG 80 1HH1 ARG 80 124.544 -2.777 -2.777 583 1HH2 ARG 80 1HH2 ARG 80 124.727 -5.483 -5.483 584 2HH2 ARG 80 2HH2 ARG 80 125.607 -4.424 -4.424 585 HA PRO 81 HA PRO 81 116.419 0.537 0.537 586 1HB PRO 81 2HB PRO 81 115.955 -1.274 -1.274 587 2HB PRO 81 1HB PRO 81 116.957 0.176 0.176 588 1HG PRO 81 2HG PRO 81 117.784 -2.642 -2.642 589 2HG PRO 81 1HG PRO 81 118.500 -1.407 -1.407 590 1HD PRO 81 2HD PRO 81 119.524 -2.097 -2.097 591 2HD PRO 81 1HD PRO 81 119.727 -0.491 -0.491 592 H VAL 82 H VAL 82 117.378 -2.459 -2.459 593 HA VAL 82 HA VAL 82 114.787 -3.792 -3.792 594 HB VAL 82 HB VAL 82 117.012 -4.194 -4.194 595 1HG1 VAL 82 2HG1 VAL 82 114.571 -5.500 -5.500 596 2HG1 VAL 82 1HG1 VAL 82 115.846 -6.559 -6.559 597 3HG1 VAL 82 3HG1 VAL 82 115.844 -6.056 -6.056 598 1HG2 VAL 82 3HG2 VAL 82 116.945 -4.913 -4.913 599 2HG2 VAL 82 2HG2 VAL 82 118.264 -4.196 -4.196 600 3HG2 VAL 82 1HG2 VAL 82 117.851 -5.895 -5.895 601 H HIS 83 H HIS 83 116.460 -1.491 -1.491 602 HA HIS 83 HA HIS 83 114.740 -1.685 -1.685 603 1HB HIS 83 2HB HIS 83 116.452 0.570 0.570 604 2HB HIS 83 1HB HIS 83 115.796 0.507 0.507 605 HD2 HIS 83 HD2 HIS 83 117.630 -0.608 -0.608 606 HE1 HIS 83 HE1 HIS 83 119.657 -3.076 -3.076 607 HE2 HIS 83 HE2 HIS 83 119.527 -2.334 -2.334 608 H ASP 84 H ASP 84 114.832 0.430 0.430 609 HA ASP 84 HA ASP 84 112.761 2.234 2.234 610 1HB ASP 84 2HB ASP 84 114.156 1.036 1.036 611 2HB ASP 84 1HB ASP 84 112.495 1.459 1.459 612 H ALA 85 H ALA 85 112.434 -1.012 -1.012 613 HA ALA 85 HA ALA 85 109.608 -1.025 -1.025 614 1HB ALA 85 1HB ALA 85 111.533 -2.624 -2.624 615 2HB ALA 85 3HB ALA 85 111.226 -3.457 -3.457 616 3HB ALA 85 2HB ALA 85 109.941 -3.308 -3.308 617 H ALA 86 H ALA 86 111.365 -2.860 -2.860 618 HA ALA 86 HA ALA 86 109.211 -3.303 -3.303 619 1HB ALA 86 2HB ALA 86 111.956 -3.713 -3.713 620 2HB ALA 86 1HB ALA 86 111.740 -2.663 -2.663 621 3HB ALA 86 3HB ALA 86 110.882 -4.201 -4.201 622 H ARG 87 H ARG 87 111.333 -0.432 -0.432 623 HA ARG 87 HA ARG 87 110.653 1.023 1.023 624 1HB ARG 87 2HB ARG 87 111.411 1.563 1.563 625 2HB ARG 87 1HB ARG 87 110.558 2.906 2.906 626 1HG ARG 87 2HG ARG 87 112.864 1.484 1.484 627 2HG ARG 87 1HG ARG 87 113.094 2.884 2.884 628 1HD ARG 87 2HD ARG 87 110.981 3.509 3.509 629 2HD ARG 87 1HD ARG 87 112.362 2.881 2.881 630 HE ARG 87 HE ARG 87 112.960 4.854 4.854 631 1HH1 ARG 87 2HH1 ARG 87 111.948 4.620 4.620 632 2HH1 ARG 87 1HH1 ARG 87 113.102 5.769 5.769 633 1HH2 ARG 87 1HH2 ARG 87 114.705 6.140 6.140 634 2HH2 ARG 87 2HH2 ARG 87 114.650 6.633 6.633 635 H GLU 88 H GLU 88 108.725 1.033 1.033 636 HA GLU 88 HA GLU 88 106.472 2.311 2.311 637 1HB GLU 88 2HB GLU 88 107.587 2.501 2.501 638 2HB GLU 88 1HB GLU 88 106.057 1.662 1.662 639 1HG GLU 88 2HG GLU 88 106.401 4.281 4.281 640 2HG GLU 88 1HG GLU 88 105.765 4.115 4.115 641 H GLY 89 H GLY 89 107.451 -0.661 -0.661 642 1HA GLY 89 2HA GLY 89 106.468 -2.783 -2.783 643 2HA GLY 89 1HA GLY 89 104.975 -1.912 -1.912 644 H PHE 90 H PHE 90 107.019 -2.204 -2.204 645 HA PHE 90 HA PHE 90 104.514 -2.910 -2.910 646 1HB PHE 90 2HB PHE 90 106.137 -0.740 -0.740 647 2HB PHE 90 1HB PHE 90 106.906 -1.854 -1.854 648 HD1 PHE 90 HD1 PHE 90 105.307 -3.117 -3.117 649 HD2 PHE 90 HD2 PHE 90 104.261 0.481 0.481 650 HE1 PHE 90 HE1 PHE 90 103.518 -2.673 -2.673 651 HE2 PHE 90 HE2 PHE 90 102.470 0.921 0.921 652 HZ PHE 90 HZ PHE 90 102.106 -0.653 -0.653 653 H LEU 91 H LEU 91 104.954 -5.229 -5.229 654 HA LEU 91 HA LEU 91 107.342 -6.623 -6.623 655 1HB LEU 91 2HB LEU 91 104.587 -7.153 -7.153 656 2HB LEU 91 1HB LEU 91 105.101 -8.216 -8.216 657 HG LEU 91 HG LEU 91 106.551 -7.856 -7.856 658 1HD1 LEU 91 1HD1 LEU 91 104.690 -9.959 -9.959 659 2HD1 LEU 91 3HD1 LEU 91 105.867 -10.340 -10.340 660 3HD1 LEU 91 2HD1 LEU 91 104.625 -9.123 -9.123 661 1HD2 LEU 91 3HD2 LEU 91 107.678 -8.578 -8.578 662 2HD2 LEU 91 2HD2 LEU 91 108.245 -9.159 -9.159 663 3HD2 LEU 91 1HD2 LEU 91 107.149 -10.148 -10.148 664 H ASP 92 H ASP 92 104.616 -5.847 -5.847 665 HA ASP 92 HA ASP 92 105.271 -7.204 -7.204 666 1HB ASP 92 2HB ASP 92 104.304 -4.364 -4.364 667 2HB ASP 92 1HB ASP 92 104.222 -5.211 -5.211 668 H THR 93 H THR 93 106.834 -4.264 -4.264 669 HA THR 93 HA THR 93 108.466 -3.766 -3.766 670 HB THR 93 HB THR 93 108.597 -2.944 -2.944 671 HG1 THR 93 HG1 THR 93 106.905 -2.272 -2.272 672 1HG2 THR 93 1HG2 THR 93 110.250 -2.031 -2.031 673 2HG2 THR 93 3HG2 THR 93 110.131 -1.131 -1.131 674 3HG2 THR 93 2HG2 THR 93 110.838 -2.748 -2.748 675 H LEU 94 H LEU 94 108.984 -5.510 -5.510 676 HA LEU 94 HA LEU 94 111.778 -6.033 -6.033 677 1HB LEU 94 2HB LEU 94 109.470 -7.357 -7.357 678 2HB LEU 94 1HB LEU 94 111.101 -8.015 -8.015 679 HG LEU 94 HG LEU 94 111.532 -5.336 -5.336 680 1HD1 LEU 94 2HD1 LEU 94 109.052 -4.999 -4.999 681 2HD1 LEU 94 1HD1 LEU 94 108.994 -6.142 -6.142 682 3HD1 LEU 94 3HD1 LEU 94 109.868 -4.621 -4.621 683 1HD2 LEU 94 2HD2 LEU 94 112.270 -7.511 -7.511 684 2HD2 LEU 94 1HD2 LEU 94 112.096 -6.055 -6.055 685 3HD2 LEU 94 3HD2 LEU 94 110.832 -7.284 -7.284 686 H VAL 95 H VAL 95 109.033 -8.269 -8.269 687 HA VAL 95 HA VAL 95 110.336 -10.412 -10.412 688 HB VAL 95 HB VAL 95 107.724 -9.118 -9.118 689 1HG1 VAL 95 2HG1 VAL 95 108.624 -10.936 -10.936 690 2HG1 VAL 95 1HG1 VAL 95 108.558 -12.028 -12.028 691 3HG1 VAL 95 3HG1 VAL 95 107.074 -11.319 -11.319 692 1HG2 VAL 95 1HG2 VAL 95 108.518 -10.200 -10.200 693 2HG2 VAL 95 3HG2 VAL 95 106.899 -9.708 -9.708 694 3HG2 VAL 95 2HG2 VAL 95 107.430 -11.372 -11.372 695 H VAL 96 H VAL 96 109.104 -7.514 -7.514 696 HA VAL 96 HA VAL 96 109.876 -8.088 -8.088 697 HB VAL 96 HB VAL 96 109.759 -5.570 -5.570 698 1HG1 VAL 96 3HG1 VAL 96 111.053 -5.857 -5.857 699 2HG1 VAL 96 2HG1 VAL 96 109.609 -4.860 -4.860 700 3HG1 VAL 96 1HG1 VAL 96 110.859 -4.410 -4.410 701 1HG2 VAL 96 3HG2 VAL 96 107.857 -7.206 -7.206 702 2HG2 VAL 96 2HG2 VAL 96 107.575 -5.679 -5.679 703 3HG2 VAL 96 1HG2 VAL 96 107.948 -5.682 -5.682 704 H LEU 97 H LEU 97 111.841 -6.369 -6.369 705 HA LEU 97 HA LEU 97 114.225 -6.056 -6.056 706 1HB LEU 97 2HB LEU 97 113.625 -6.599 -6.599 707 2HB LEU 97 1HB LEU 97 115.257 -6.247 -6.247 708 HG LEU 97 HG LEU 97 112.872 -4.445 -4.445 709 1HD1 LEU 97 1HD1 LEU 97 114.459 -4.836 -4.836 710 2HD1 LEU 97 3HD1 LEU 97 114.730 -3.217 -3.217 711 3HD1 LEU 97 2HD1 LEU 97 113.095 -3.747 -3.747 712 1HD2 LEU 97 1HD2 LEU 97 115.383 -4.581 -4.581 713 2HD2 LEU 97 3HD2 LEU 97 114.289 -3.199 -3.199 714 3HD2 LEU 97 2HD2 LEU 97 115.557 -3.294 -3.294 715 H HIS 98 H HIS 98 113.718 -8.666 -8.666 716 HA HIS 98 HA HIS 98 115.880 -10.297 -10.297 717 1HB HIS 98 2HB HIS 98 114.187 -10.319 -10.319 718 2HB HIS 98 1HB HIS 98 113.263 -11.405 -11.405 719 HD1 HIS 98 HD1 HIS 98 114.273 -12.738 -12.738 720 HD2 HIS 98 HD2 HIS 98 116.678 -12.374 -12.374 721 HE1 HIS 98 HE1 HIS 98 116.069 -14.513 -14.513 722 H ARG 99 H ARG 99 112.690 -9.896 -9.896 723 HA ARG 99 HA ARG 99 112.699 -12.305 -12.305 724 1HB ARG 99 2HB ARG 99 111.183 -9.746 -9.746 725 2HB ARG 99 1HB ARG 99 111.047 -10.624 -10.624 726 1HG ARG 99 2HG ARG 99 110.677 -12.700 -12.700 727 2HG ARG 99 1HG ARG 99 110.184 -11.453 -11.453 728 1HD ARG 99 2HD ARG 99 108.142 -11.620 -11.620 729 2HD ARG 99 1HD ARG 99 108.873 -10.702 -10.702 730 HE ARG 99 HE ARG 99 109.144 -13.677 -13.677 731 1HH1 ARG 99 2HH1 ARG 99 106.507 -12.719 -12.719 732 2HH1 ARG 99 1HH1 ARG 99 106.843 -12.593 -12.593 733 1HH2 ARG 99 1HH2 ARG 99 110.285 -12.663 -12.663 734 2HH2 ARG 99 2HH2 ARG 99 108.977 -12.557 -12.557 735 H ALA 100 H ALA 100 114.448 -9.359 -9.359 736 HA ALA 100 HA ALA 100 115.431 -10.139 -10.139 737 1HB ALA 100 3HB ALA 100 113.462 -8.209 -8.209 738 2HB ALA 100 2HB ALA 100 114.941 -7.274 -7.274 739 3HB ALA 100 1HB ALA 100 114.418 -8.404 -8.404 740 H GLY 101 H GLY 101 117.313 -10.648 -10.648 741 1HA GLY 101 2HA GLY 101 119.392 -10.137 -10.137 742 2HA GLY 101 1HA GLY 101 119.395 -8.803 -8.803 743 H ALA 102 H ALA 102 119.051 -9.672 -9.672 744 HA ALA 102 HA ALA 102 119.158 -6.847 -6.847 745 1HB ALA 102 1HB ALA 102 116.706 -8.557 -8.557 746 2HB ALA 102 3HB ALA 102 116.985 -7.353 -7.353 747 3HB ALA 102 2HB ALA 102 116.844 -6.851 -6.851 748 H ARG 103 H ARG 103 120.525 -6.852 -6.852 749 HA ARG 103 HA ARG 103 121.113 -9.301 -9.301 750 1HB ARG 103 2HB ARG 103 122.807 -7.607 -7.607 751 2HB ARG 103 1HB ARG 103 121.934 -6.398 -6.398 752 1HG ARG 103 2HG ARG 103 122.699 -7.202 -7.202 753 2HG ARG 103 1HG ARG 103 122.569 -8.882 -8.882 754 1HD ARG 103 2HD ARG 103 124.671 -7.197 -7.197 755 2HD ARG 103 1HD ARG 103 124.959 -7.755 -7.755 756 HE ARG 103 HE ARG 103 124.005 -9.777 -9.777 757 1HH1 ARG 103 1HH2 ARG 103 126.757 -9.108 -9.108 758 2HH1 ARG 103 2HH2 ARG 103 127.718 -10.139 -10.139 759 1HH2 ARG 103 2HH1 ARG 103 125.150 -10.774 -10.774 760 2HH2 ARG 103 1HH1 ARG 103 126.807 -11.085 -11.085 761 H LEU 104 H LEU 104 120.437 -9.789 -9.789 762 HA LEU 104 HA LEU 104 118.558 -7.851 -7.851 763 1HB LEU 104 2HB LEU 104 118.354 -10.732 -10.732 764 2HB LEU 104 1HB LEU 104 117.673 -10.274 -10.274 765 HG LEU 104 HG LEU 104 116.990 -8.464 -8.464 766 1HD1 LEU 104 1HD1 LEU 104 116.284 -11.379 -11.379 767 2HD1 LEU 104 3HD1 LEU 104 115.089 -10.212 -10.212 768 3HD1 LEU 104 2HD1 LEU 104 116.654 -10.328 -10.328 769 1HD2 LEU 104 2HD2 LEU 104 116.123 -8.609 -8.609 770 2HD2 LEU 104 1HD2 LEU 104 114.988 -8.234 -8.234 771 3HD2 LEU 104 3HD2 LEU 104 115.071 -9.869 -9.869 772 H ASP 105 H ASP 105 121.563 -9.099 -9.099 773 HA ASP 105 HA ASP 105 121.323 -9.548 -9.548 774 1HB ASP 105 2HB ASP 105 123.420 -10.475 -10.475 775 2HB ASP 105 1HB ASP 105 123.344 -10.922 -10.922 776 H VAL 106 H VAL 106 121.441 -6.873 -6.873 777 HA VAL 106 HA VAL 106 124.303 -6.111 -6.111 778 HB VAL 106 HB VAL 106 123.332 -5.287 -5.287 779 1HG1 VAL 106 3HG1 VAL 106 121.021 -4.938 -4.938 780 2HG1 VAL 106 2HG1 VAL 106 121.401 -3.437 -3.437 781 3HG1 VAL 106 1HG1 VAL 106 121.115 -4.915 -4.915 782 1HG2 VAL 106 1HG2 VAL 106 124.818 -3.808 -3.808 783 2HG2 VAL 106 3HG2 VAL 106 123.862 -2.981 -2.981 784 3HG2 VAL 106 2HG2 VAL 106 123.336 -2.971 -2.971 785 H ARG 107 H ARG 107 124.417 -3.970 -3.970 786 HA ARG 107 HA ARG 107 122.290 -3.869 -3.869 787 1HB ARG 107 2HB ARG 107 125.250 -4.270 -4.270 788 2HB ARG 107 1HB ARG 107 124.516 -3.287 -3.287 789 1HG ARG 107 2HG ARG 107 122.813 -5.192 -5.192 790 2HG ARG 107 1HG ARG 107 123.920 -6.160 -6.160 791 1HD ARG 107 2HD ARG 107 124.772 -4.693 -4.693 792 2HD ARG 107 1HD ARG 107 124.309 -6.408 -6.408 793 HE ARG 107 HE ARG 107 126.132 -6.662 -6.662 794 1HH1 ARG 107 2HH1 ARG 107 126.659 -5.464 -5.464 795 2HH1 ARG 107 1HH1 ARG 107 128.129 -4.620 -4.620 796 1HH2 ARG 107 1HH2 ARG 107 127.807 -4.974 -4.974 797 2HH2 ARG 107 2HH2 ARG 107 128.783 -4.351 -4.351 798 H ASP 108 H ASP 108 121.807 -1.742 -1.742 799 HA ASP 108 HA ASP 108 122.494 0.452 0.452 800 1HB ASP 108 2HB ASP 108 120.667 -0.174 -0.174 801 2HB ASP 108 1HB ASP 108 121.524 1.273 1.273 802 H ALA 109 H ALA 109 124.971 -0.362 -0.362 803 HA ALA 109 HA ALA 109 127.053 0.233 0.233 804 1HB ALA 109 1HB ALA 109 125.339 2.633 2.633 805 2HB ALA 109 3HB ALA 109 126.771 2.835 2.835 806 3HB ALA 109 2HB ALA 109 126.941 2.320 2.320 807 H TRP 110 H TRP 110 125.353 2.487 2.487 808 HA TRP 110 HA TRP 110 126.179 0.809 0.809 809 1HB TRP 110 2HB TRP 110 126.546 2.882 2.882 810 2HB TRP 110 1HB TRP 110 127.226 3.089 3.089 811 HD1 TRP 110 HD1 TRP 110 124.004 3.869 3.869 812 HE1 TRP 110 HE1 TRP 110 122.931 5.994 5.994 813 HE3 TRP 110 HE3 TRP 110 127.150 4.699 4.699 814 HZ2 TRP 110 HZ2 TRP 110 123.351 7.807 7.807 815 HZ3 TRP 110 HZ3 TRP 110 126.780 6.629 6.629 816 HH2 TRP 110 HH2 TRP 110 124.892 8.187 8.187 817 H GLY 111 H GLY 111 123.447 1.676 1.676 818 1HA GLY 111 2HA GLY 111 121.661 2.213 2.213 819 2HA GLY 111 1HA GLY 111 121.182 1.908 1.908 820 H ARG 112 H ARG 112 121.198 -0.333 -0.333 821 HA ARG 112 HA ARG 112 121.638 -2.644 -2.644 822 1HB ARG 112 2HB ARG 112 119.338 -1.072 -1.072 823 2HB ARG 112 1HB ARG 112 118.828 -2.677 -2.677 824 1HG ARG 112 2HG ARG 112 120.062 -3.768 -3.768 825 2HG ARG 112 1HG ARG 112 121.220 -2.446 -2.446 826 1HD ARG 112 2HD ARG 112 119.722 -1.143 -1.143 827 2HD ARG 112 1HD ARG 112 118.324 -2.121 -2.121 828 HE ARG 112 HE ARG 112 120.147 -3.905 -3.905 829 1HH1 ARG 112 2HH1 ARG 112 117.359 -2.284 -2.284 830 2HH1 ARG 112 1HH1 ARG 112 117.593 -2.223 -2.223 831 1HH2 ARG 112 1HH2 ARG 112 120.870 -3.340 -3.340 832 2HH2 ARG 112 2HH2 ARG 112 119.580 -2.814 -2.814 833 H LEU 113 H LEU 113 119.655 -4.369 -4.369 834 HA LEU 113 HA LEU 113 119.958 -4.513 -4.513 835 1HB LEU 113 2HB LEU 113 119.488 -6.240 -6.240 836 2HB LEU 113 1HB LEU 113 118.129 -6.441 -6.441 837 HG LEU 113 HG LEU 113 120.200 -6.392 -6.392 838 1HD1 LEU 113 3HD1 LEU 113 121.529 -6.533 -6.533 839 2HD1 LEU 113 2HD1 LEU 113 121.383 -8.237 -8.237 840 3HD1 LEU 113 1HD1 LEU 113 122.170 -7.114 -7.114 841 1HD2 LEU 113 1HD2 LEU 113 118.933 -8.695 -8.695 842 2HD2 LEU 113 3HD2 LEU 113 118.546 -8.094 -8.094 843 3HD2 LEU 113 2HD2 LEU 113 120.061 -8.952 -8.952 844 HA PRO 114 HA PRO 114 116.046 -2.897 -2.897 845 1HB PRO 114 2HB PRO 114 115.210 -4.640 -4.640 846 2HB PRO 114 1HB PRO 114 116.511 -3.459 -3.459 847 1HG PRO 114 2HG PRO 114 116.678 -6.375 -6.375 848 2HG PRO 114 1HG PRO 114 117.693 -5.355 -5.355 849 1HD PRO 114 2HD PRO 114 118.416 -6.217 -6.217 850 2HD PRO 114 1HD PRO 114 119.059 -4.750 -4.750 851 H VAL 115 H VAL 115 116.078 -6.389 -6.389 852 HA VAL 115 HA VAL 115 113.239 -6.683 -6.683 853 HB VAL 115 HB VAL 115 115.024 -8.459 -8.459 854 1HG1 VAL 115 3HG1 VAL 115 116.331 -7.424 -7.424 855 2HG1 VAL 115 2HG1 VAL 115 115.383 -8.641 -8.641 856 3HG1 VAL 115 1HG1 VAL 115 116.474 -9.124 -9.124 857 1HG2 VAL 115 3HG2 VAL 115 112.698 -8.975 -8.975 858 2HG2 VAL 115 2HG2 VAL 115 113.832 -10.126 -10.126 859 3HG2 VAL 115 1HG2 VAL 115 113.149 -8.841 -8.841 860 H ASP 116 H ASP 116 115.867 -5.603 -5.603 861 HA ASP 116 HA ASP 116 114.411 -5.853 -5.853 862 1HB ASP 116 2HB ASP 116 116.983 -4.929 -4.929 863 2HB ASP 116 1HB ASP 116 116.386 -3.888 -3.888 864 H LEU 117 H LEU 117 115.200 -3.060 -3.060 865 HA LEU 117 HA LEU 117 113.790 -1.049 -1.049 866 1HB LEU 117 2HB LEU 117 115.230 -1.337 -1.337 867 2HB LEU 117 1HB LEU 117 113.621 -0.885 -0.885 868 HG LEU 117 HG LEU 117 115.002 0.622 0.622 869 1HD1 LEU 117 2HD1 LEU 117 115.137 1.116 1.116 870 2HD1 LEU 117 1HD1 LEU 117 115.655 2.270 2.270 871 3HD1 LEU 117 3HD1 LEU 117 116.492 0.727 0.727 872 1HD2 LEU 117 2HD2 LEU 117 112.420 0.687 0.687 873 2HD2 LEU 117 1HD2 LEU 117 113.182 1.968 1.968 874 3HD2 LEU 117 3HD2 LEU 117 113.223 2.025 2.025 875 H ALA 118 H ALA 118 112.602 -3.646 -3.646 876 HA ALA 118 HA ALA 118 109.983 -2.523 -2.523 877 1HB ALA 118 1HB ALA 118 111.339 -5.203 -5.203 878 2HB ALA 118 3HB ALA 118 109.607 -5.067 -5.067 879 3HB ALA 118 2HB ALA 118 110.756 -4.174 -4.174 880 H GLU 119 H GLU 119 110.865 -5.340 -5.340 881 HA GLU 119 HA GLU 119 108.437 -5.708 -5.708 882 1HB GLU 119 2HB GLU 119 111.279 -6.284 -6.284 883 2HB GLU 119 1HB GLU 119 110.398 -6.163 -6.163 884 1HG GLU 119 2HG GLU 119 109.009 -7.689 -7.689 885 2HG GLU 119 1HG GLU 119 110.501 -8.422 -8.422 886 H GLU 120 H GLU 120 110.734 -3.103 -3.103 887 HA GLU 120 HA GLU 120 109.647 -2.241 -2.241 888 1HB GLU 120 2HB GLU 120 111.902 -1.741 -1.741 889 2HB GLU 120 1HB GLU 120 111.164 -0.209 -0.209 890 1HG GLU 120 2HG GLU 120 111.655 -2.316 -2.316 891 2HG GLU 120 1HG GLU 120 112.983 -1.282 -1.282 892 H LEU 121 H LEU 121 109.360 -1.273 -1.273 893 HA LEU 121 HA LEU 121 107.619 0.999 0.999 894 1HB LEU 121 2HB LEU 121 108.869 -0.218 -0.218 895 2HB LEU 121 1HB LEU 121 107.553 0.933 0.933 896 HG LEU 121 HG LEU 121 109.995 1.830 1.830 897 1HD1 LEU 121 3HD1 LEU 121 107.547 2.949 2.949 898 2HD1 LEU 121 2HD1 LEU 121 108.537 3.419 3.419 899 3HD1 LEU 121 1HD1 LEU 121 109.044 3.846 3.846 900 1HD2 LEU 121 3HD2 LEU 121 109.511 1.511 1.511 901 2HD2 LEU 121 2HD2 LEU 121 110.735 0.660 0.660 902 3HD2 LEU 121 1HD2 LEU 121 110.841 2.408 2.408 903 H GLY 122 H GLY 122 107.020 -2.208 -2.208 904 1HA GLY 122 2HA GLY 122 104.912 -3.276 -3.276 905 2HA GLY 122 1HA GLY 122 104.165 -1.820 -1.820 906 H HIS 123 H HIS 123 106.853 -3.256 -3.256 907 HA HIS 123 HA HIS 123 104.953 -3.944 -3.944 908 1HB HIS 123 2HB HIS 123 107.984 -3.724 -3.724 909 2HB HIS 123 1HB HIS 123 106.957 -3.799 -3.799 910 HD1 HIS 123 HD1 HIS 123 104.721 -1.846 -1.846 911 HD2 HIS 123 HD2 HIS 123 108.810 -1.038 -1.038 912 HE1 HIS 123 HE1 HIS 123 104.953 0.674 0.674 913 H ARG 124 H ARG 124 104.985 -5.681 -5.681 914 HA ARG 124 HA ARG 124 106.689 -7.858 -7.858 915 1HB ARG 124 2HB ARG 124 103.979 -7.180 -7.180 916 2HB ARG 124 1HB ARG 124 103.995 -8.822 -8.822 917 1HG ARG 124 2HG ARG 124 106.050 -9.149 -9.149 918 2HG ARG 124 1HG ARG 124 105.420 -7.721 -7.721 919 1HD ARG 124 2HD ARG 124 103.859 -8.993 -8.993 920 2HD ARG 124 1HD ARG 124 103.234 -9.522 -9.522 921 HE ARG 124 HE ARG 124 104.569 -11.481 -11.481 922 1HH1 ARG 124 1HH2 ARG 124 104.414 -10.066 -10.066 923 2HH1 ARG 124 2HH2 ARG 124 105.908 -10.704 -10.704 924 1HH2 ARG 124 2HH1 ARG 124 106.938 -11.923 -11.923 925 2HH2 ARG 124 1HH1 ARG 124 107.332 -11.754 -11.754 926 H ASP 125 H ASP 125 104.078 -7.358 -7.358 927 HA ASP 125 HA ASP 125 104.297 -9.840 -9.840 928 1HB ASP 125 2HB ASP 125 103.577 -7.045 -7.045 929 2HB ASP 125 1HB ASP 125 103.222 -8.529 -8.529 930 H VAL 126 H VAL 126 106.099 -6.789 -6.789 931 HA VAL 126 HA VAL 126 107.661 -7.838 -7.838 932 HB VAL 126 HB VAL 126 108.246 -5.361 -5.361 933 1HG1 VAL 126 1HG1 VAL 126 109.048 -6.516 -6.516 934 2HG1 VAL 126 3HG1 VAL 126 108.561 -4.825 -4.825 935 3HG1 VAL 126 2HG1 VAL 126 109.856 -5.303 -5.303 936 1HG2 VAL 126 1HG2 VAL 126 105.882 -5.989 -5.989 937 2HG2 VAL 126 3HG2 VAL 126 106.110 -4.705 -4.705 938 3HG2 VAL 126 2HG2 VAL 126 106.705 -4.500 -4.500 939 H ALA 127 H ALA 127 108.105 -7.260 -7.260 940 HA ALA 127 HA ALA 127 110.888 -7.869 -7.869 941 1HB ALA 127 2HB ALA 127 108.480 -8.020 -8.020 942 2HB ALA 127 1HB ALA 127 110.050 -8.577 -8.577 943 3HB ALA 127 3HB ALA 127 109.841 -6.902 -6.902 944 H ARG 128 H ARG 128 108.096 -9.893 -9.893 945 HA ARG 128 HA ARG 128 109.166 -12.397 -12.397 946 1HB ARG 128 2HB ARG 128 106.800 -11.339 -11.339 947 2HB ARG 128 1HB ARG 128 107.318 -12.623 -12.623 948 1HG ARG 128 2HG ARG 128 107.644 -14.025 -14.025 949 2HG ARG 128 1HG ARG 128 106.629 -12.800 -12.800 950 1HD ARG 128 2HD ARG 128 104.887 -13.209 -13.209 951 2HD ARG 128 1HD ARG 128 105.883 -14.548 -14.548 952 HE ARG 128 HE ARG 128 104.403 -14.526 -14.526 953 1HH1 ARG 128 2HH1 ARG 128 105.152 -16.682 -16.682 954 2HH1 ARG 128 1HH1 ARG 128 106.006 -17.807 -17.807 955 1HH2 ARG 128 1HH2 ARG 128 106.282 -15.621 -15.621 956 2HH2 ARG 128 2HH2 ARG 128 106.635 -17.211 -17.211 957 H TYR 129 H TYR 129 108.503 -11.589 -11.589 958 HA TYR 129 HA TYR 129 110.208 -13.513 -13.513 959 1HB TYR 129 2HB TYR 129 108.428 -11.914 -11.914 960 2HB TYR 129 1HB TYR 129 109.753 -10.766 -10.766 961 HD1 TYR 129 HD1 TYR 129 110.214 -14.442 -14.442 962 HD2 TYR 129 HD2 TYR 129 109.773 -10.713 -10.713 963 HE1 TYR 129 HE1 TYR 129 110.929 -15.536 -15.536 964 HE2 TYR 129 HE2 TYR 129 110.490 -11.816 -11.816 965 HH TYR 129 HH TYR 129 111.800 -15.037 -15.037 966 H LEU 130 H LEU 130 110.934 -10.110 -10.110 967 HA LEU 130 HA LEU 130 113.562 -9.910 -9.910 968 1HB LEU 130 2HB LEU 130 112.020 -8.798 -8.798 969 2HB LEU 130 1HB LEU 130 113.750 -8.466 -8.466 970 HG LEU 130 HG LEU 130 111.704 -7.881 -7.881 971 1HD1 LEU 130 2HD1 LEU 130 112.997 -6.278 -6.278 972 2HD1 LEU 130 1HD1 LEU 130 112.833 -5.506 -5.506 973 3HD1 LEU 130 3HD1 LEU 130 111.404 -6.097 -6.097 974 1HD2 LEU 130 2HD2 LEU 130 114.705 -7.805 -7.805 975 2HD2 LEU 130 1HD2 LEU 130 113.635 -8.296 -8.296 976 3HD2 LEU 130 3HD2 LEU 130 113.850 -6.586 -6.586 977 H ARG 131 H ARG 131 112.591 -10.981 -10.981 978 HA ARG 131 HA ARG 131 115.129 -11.796 -11.796 979 1HB ARG 131 2HB ARG 131 112.714 -11.656 -11.656 980 2HB ARG 131 1HB ARG 131 112.614 -13.347 -13.347 981 1HG ARG 131 2HG ARG 131 115.103 -12.530 -12.530 982 2HG ARG 131 1HG ARG 131 113.634 -12.571 -12.571 983 1HD ARG 131 2HD ARG 131 113.207 -14.906 -14.906 984 2HD ARG 131 1HD ARG 131 114.740 -14.863 -14.863 985 HE ARG 131 HE ARG 131 115.833 -15.180 -15.180 986 1HH1 ARG 131 1HH2 ARG 131 112.782 -15.517 -15.517 987 2HH1 ARG 131 2HH2 ARG 131 112.891 -14.642 -14.642 988 1HH2 ARG 131 2HH1 ARG 131 115.979 -13.246 -13.246 989 2HH2 ARG 131 1HH1 ARG 131 114.701 -13.355 -13.355 990 H ALA 132 H ALA 132 113.028 -13.278 -13.278 991 HA ALA 132 HA ALA 132 114.252 -15.927 -15.927 992 1HB ALA 132 3HB ALA 132 111.890 -14.937 -14.937 993 2HB ALA 132 2HB ALA 132 112.747 -14.938 -14.938 994 3HB ALA 132 1HB ALA 132 112.551 -16.442 -16.442 995 H ALA 133 H ALA 133 114.253 -13.267 -13.267 996 HA ALA 133 HA ALA 133 116.508 -14.474 -14.474 997 1HB ALA 133 2HB ALA 133 114.328 -13.143 -13.143 998 2HB ALA 133 1HB ALA 133 115.400 -11.759 -11.759 999 3HB ALA 133 3HB ALA 133 115.830 -13.041 -13.041 1000 H ALA 134 H ALA 134 116.201 -12.382 -12.382 1001 HA ALA 134 HA ALA 134 118.769 -10.988 -10.988 1002 1HB ALA 134 1HB ALA 134 116.688 -9.675 -9.675 1003 2HB ALA 134 3HB ALA 134 116.720 -10.414 -10.414 1004 3HB ALA 134 2HB ALA 134 118.037 -9.359 -9.359 1005 H GLY 135 H GLY 135 117.186 -13.113 -13.113 1006 1HA GLY 135 2HA GLY 135 119.364 -13.025 -13.025 1007 2HA GLY 135 1HA GLY 135 118.057 -14.211 -14.211 1008 H GLY 136 H GLY 136 121.327 -13.573 -13.573 1009 1HA GLY 136 2HA GLY 136 121.415 -16.214 -16.214 1010 2HA GLY 136 1HA GLY 136 122.545 -14.897 -14.897 1011 H THR 137 H THR 137 121.592 -17.330 -17.330 1012 HA THR 137 HA THR 137 123.572 -16.828 -16.828 1013 HB THR 137 HB THR 137 123.205 -19.557 -19.557 1014 HG1 THR 137 HG1 THR 137 121.165 -19.930 -19.930 1015 1HG2 THR 137 3HG2 THR 137 122.733 -17.971 -17.971 1016 2HG2 THR 137 2HG2 THR 137 121.243 -17.497 -17.497 1017 3HG2 THR 137 1HG2 THR 137 121.437 -19.147 -19.147 1018 H ARG 138 H ARG 138 125.719 -16.590 -16.590 1019 HA ARG 138 HA ARG 138 126.977 -18.915 -18.915 1020 1HB ARG 138 2HB ARG 138 126.530 -16.201 -16.201 1021 2HB ARG 138 1HB ARG 138 128.229 -16.672 -16.672 1022 1HG ARG 138 2HG ARG 138 127.033 -18.954 -18.954 1023 2HG ARG 138 1HG ARG 138 125.924 -17.729 -17.729 1024 1HD ARG 138 2HD ARG 138 128.223 -16.540 -16.540 1025 2HD ARG 138 1HD ARG 138 128.778 -18.226 -18.226 1026 HE ARG 138 HE ARG 138 126.186 -17.822 -17.822 1027 1HH1 ARG 138 1HH2 ARG 138 128.503 -19.826 -19.826 1028 2HH1 ARG 138 2HH2 ARG 138 128.975 -19.310 -19.310 1029 1HH2 ARG 138 2HH1 ARG 138 127.271 -16.291 -16.291 1030 2HH2 ARG 138 1HH1 ARG 138 128.281 -17.303 -17.303 1031 H GLY 139 H GLY 139 127.634 -19.121 -19.121 1032 1HA GLY 139 2HA GLY 139 130.331 -18.263 -18.263 1033 2HA GLY 139 1HA GLY 139 129.286 -17.227 -17.227 1034 H SER 140 H SER 140 129.536 -17.950 -17.950 1035 HA SER 140 HA SER 140 129.660 -20.880 -20.880 1036 1HB SER 140 2HB SER 140 129.809 -18.905 -18.905 1037 2HB SER 140 1HB SER 140 130.851 -20.281 -20.281 1038 HG SER 140 HG SER 140 131.068 -17.651 -17.651 1039 H ASN 141 H ASN 141 127.161 -20.231 -20.231 1040 HA ASN 141 HA ASN 141 124.871 -20.242 -20.242 1041 1HB ASN 141 2HB ASN 141 126.443 -21.926 -21.926 1042 2HB ASN 141 1HB ASN 141 124.824 -21.517 -21.517 1043 1HD2 ASN 141 1HD2 ASN 141 126.122 -24.075 -24.075 1044 2HD2 ASN 141 2HD2 ASN 141 124.983 -24.514 -24.514 1045 H HIS 142 H HIS 142 126.128 -17.770 -17.770 1046 HA HIS 142 HA HIS 142 125.778 -16.926 -16.926 1047 1HB HIS 142 2HB HIS 142 125.732 -14.674 -14.674 1048 2HB HIS 142 1HB HIS 142 126.930 -15.677 -15.677 1049 HD1 HIS 142 HD1 HIS 142 126.299 -16.586 -16.586 1050 HD2 HIS 142 HD2 HIS 142 123.577 -13.851 -13.851 1051 HE1 HIS 142 HE1 HIS 142 124.812 -15.867 -15.867 1052 H ALA 143 H ALA 143 123.878 -17.203 -17.203 1053 HA ALA 143 HA ALA 143 121.559 -17.184 -17.184 1054 1HB ALA 143 3HB ALA 143 122.235 -14.777 -14.777 1055 2HB ALA 143 2HB ALA 143 121.325 -15.192 -15.192 1056 3HB ALA 143 1HB ALA 143 120.522 -15.182 -15.182 1057 H ARG 144 H ARG 144 119.410 -16.688 -16.688 1058 HA ARG 144 HA ARG 144 118.093 -17.888 -17.888 1059 1HB ARG 144 2HB ARG 144 120.637 -17.363 -17.363 1060 2HB ARG 144 1HB ARG 144 120.346 -19.062 -19.062 1061 1HG ARG 144 2HG ARG 144 117.914 -17.666 -17.666 1062 2HG ARG 144 1HG ARG 144 119.213 -16.739 -16.739 1063 1HD ARG 144 2HD ARG 144 119.383 -18.264 -18.264 1064 2HD ARG 144 1HD ARG 144 119.629 -19.567 -19.567 1065 HE ARG 144 HE ARG 144 116.879 -18.846 -18.846 1066 1HH1 ARG 144 1HH2 ARG 144 117.853 -18.849 -18.849 1067 2HH1 ARG 144 2HH2 ARG 144 117.324 -20.428 -20.428 1068 1HH2 ARG 144 2HH1 ARG 144 116.787 -21.509 -21.509 1069 2HH2 ARG 144 1HH1 ARG 144 116.729 -21.938 -21.938 1070 H ILE 145 H ILE 145 118.108 -19.283 -19.283 1071 HA ILE 145 HA ILE 145 117.872 -21.455 -21.455 1072 HB ILE 145 HB ILE 145 118.197 -22.265 -22.265 1073 1HG1 ILE 145 2HG1 ILE 145 116.527 -20.460 -20.460 1074 2HG1 ILE 145 1HG1 ILE 145 115.737 -21.995 -21.995 1075 1HG2 ILE 145 1HG2 ILE 145 117.325 -23.608 -23.608 1076 2HG2 ILE 145 3HG2 ILE 145 116.284 -23.870 -23.870 1077 3HG2 ILE 145 2HG2 ILE 145 117.994 -24.293 -24.293 1078 1HD1 ILE 145 3HD1 ILE 145 115.310 -22.269 -22.269 1079 2HD1 ILE 145 2HD1 ILE 145 115.951 -20.646 -20.646 1080 3HD1 ILE 145 1HD1 ILE 145 114.485 -20.880 -20.880 1081 H ASP 146 H ASP 146 119.161 -23.386 -23.386 1082 HA ASP 146 HA ASP 146 121.200 -24.510 -24.510 1083 1HB ASP 146 2HB ASP 146 121.024 -23.796 -23.796 1084 2HB ASP 146 1HB ASP 146 122.707 -23.731 -23.731 1085 H ALA 147 H ALA 147 121.470 -22.754 -22.754 1086 HA ALA 147 HA ALA 147 123.212 -20.482 -20.482 1087 1HB ALA 147 2HB ALA 147 121.448 -20.728 -20.728 1088 2HB ALA 147 1HB ALA 147 122.558 -21.827 -21.827 1089 3HB ALA 147 3HB ALA 147 123.011 -20.140 -20.140 1090 H ALA 148 H ALA 148 125.436 -20.535 -20.535 1091 HA ALA 148 HA ALA 148 127.045 -22.789 -22.789 1092 1HB ALA 148 3HB ALA 148 127.335 -19.923 -19.923 1093 2HB ALA 148 2HB ALA 148 128.626 -20.846 -20.846 1094 3HB ALA 148 1HB ALA 148 128.343 -21.000 -21.000 1095 H GLU 149 H GLU 149 127.399 -24.406 -24.406 1096 HA GLU 149 HA GLU 149 126.617 -24.366 -24.366 1097 1HB GLU 149 2HB GLU 149 127.537 -26.192 -26.192 1098 2HB GLU 149 1HB GLU 149 128.911 -26.083 -26.083 1099 1HG GLU 149 2HG GLU 149 127.687 -27.675 -27.675 1100 2HG GLU 149 1HG GLU 149 126.949 -26.229 -26.229 1101 H GLY 150 H GLY 150 128.185 -24.594 -24.594 1102 1HA GLY 150 2HA GLY 150 130.087 -23.897 -23.897 1103 2HA GLY 150 1HA GLY 150 130.816 -23.350 -23.350 1104 HA PRO 151 HA PRO 151 128.078 -19.927 -19.927 1105 1HB PRO 151 2HB PRO 151 128.924 -19.534 -19.534 1106 2HB PRO 151 1HB PRO 151 127.551 -20.577 -20.577 1107 1HG PRO 151 2HG PRO 151 130.361 -21.318 -21.318 1108 2HG PRO 151 1HG PRO 151 128.850 -22.109 -22.109 1109 1HD PRO 151 2HD PRO 151 130.434 -23.029 -23.029 1110 2HD PRO 151 1HD PRO 151 128.669 -23.249 -23.249 1111 H SER 152 H SER 152 128.954 -18.008 -18.008 1112 HA SER 152 HA SER 152 131.775 -17.358 -17.358 1113 1HB SER 152 2HB SER 152 131.379 -18.429 -18.429 1114 2HB SER 152 1HB SER 152 130.633 -16.892 -16.892 1115 HG SER 152 HG SER 152 132.822 -16.826 -16.826 1116 H ASP 153 H ASP 153 128.568 -16.377 -16.377 1117 HA ASP 153 HA ASP 153 129.168 -13.508 -13.508 1118 1HB ASP 153 2HB ASP 153 126.751 -13.295 -13.295 1119 2HB ASP 153 1HB ASP 153 127.187 -14.712 -14.712 1120 H ILE 154 H ILE 154 130.576 -13.929 -13.929 1121 HA ILE 154 HA ILE 154 128.821 -13.418 -13.418 1122 HB ILE 154 HB ILE 154 131.670 -14.458 -14.458 1123 1HG1 ILE 154 2HG1 ILE 154 129.855 -16.004 -16.004 1124 2HG1 ILE 154 1HG1 ILE 154 130.746 -16.631 -16.631 1125 1HG2 ILE 154 1HG2 ILE 154 129.823 -14.029 -14.029 1126 2HG2 ILE 154 3HG2 ILE 154 131.244 -15.070 -15.070 1127 3HG2 ILE 154 2HG2 ILE 154 131.430 -13.347 -13.347 1128 1HD1 ILE 154 3HD1 ILE 154 128.160 -15.098 -15.098 1129 2HD1 ILE 154 2HD1 ILE 154 128.193 -16.847 -16.847 1130 3HD1 ILE 154 1HD1 ILE 154 128.973 -16.117 -16.117 1131 HA PRO 155 HA PRO 155 131.156 -9.514 -9.514 1132 1HB PRO 155 2HB PRO 155 129.001 -7.835 -7.835 1133 2HB PRO 155 1HB PRO 155 129.514 -8.689 -8.689 1134 1HG PRO 155 2HG PRO 155 127.269 -9.279 -9.279 1135 2HG PRO 155 1HG PRO 155 127.388 -9.504 -9.504 1136 1HD PRO 155 2HD PRO 155 127.647 -11.515 -11.515 1137 2HD PRO 155 1HD PRO 155 128.244 -11.589 -11.589 1138 H ASP 156 HN ASP 156 132.130 -8.913 -8.913 1139 HA ASP 156 HA ASP 156 132.381 -8.304 -8.304 1140 1HB ASP 156 2HB ASP 156 131.256 -6.346 -6.346 1141 2HB ASP 156 1HB ASP 156 129.684 -7.114 -7.114 Start of MODEL 11 1 1H MET 1 1H MET 1 103.794 13.592 13.592 2 2H MET 1 3H MET 1 102.745 12.968 12.968 3 3H MET 1 2H MET 1 102.141 13.420 13.420 4 HA MET 1 HA MET 1 101.568 15.333 15.333 5 1HB MET 1 2HB MET 1 102.657 15.958 15.958 6 2HB MET 1 1HB MET 1 102.039 14.306 14.306 7 1HG MET 1 2HG MET 1 104.595 13.965 13.965 8 2HG MET 1 1HG MET 1 104.813 15.272 15.272 9 1HE MET 1 1HE MET 1 105.229 15.170 15.170 10 2HE MET 1 3HE MET 1 103.800 14.762 14.762 11 3HE MET 1 2HE MET 1 105.277 13.814 13.814 12 H GLU 2 H GLU 2 103.420 15.132 15.132 13 HA GLU 2 HA GLU 2 104.871 16.525 16.525 14 1HB GLU 2 2HB GLU 2 103.126 18.119 18.119 15 2HB GLU 2 1HB GLU 2 104.428 18.557 18.557 16 1HG GLU 2 2HG GLU 2 105.036 20.059 20.059 17 2HG GLU 2 1HG GLU 2 105.672 18.674 18.674 18 HA PRO 3 HA PRO 3 108.235 15.670 15.670 19 1HB PRO 3 2HB PRO 3 109.604 13.870 13.870 20 2HB PRO 3 1HB PRO 3 108.292 13.396 13.396 21 1HG PRO 3 2HG PRO 3 108.240 13.797 13.797 22 2HG PRO 3 1HG PRO 3 107.439 12.560 12.560 23 1HD PRO 3 2HD PRO 3 106.153 14.746 14.746 24 2HD PRO 3 1HD PRO 3 105.668 13.928 13.928 25 H ALA 4 H ALA 4 108.500 17.989 17.989 26 HA ALA 4 HA ALA 4 109.772 18.761 18.761 27 1HB ALA 4 3HB ALA 4 108.987 19.928 19.928 28 2HB ALA 4 2HB ALA 4 110.738 20.009 20.009 29 3HB ALA 4 1HB ALA 4 109.972 20.755 20.755 30 H ALA 5 H ALA 5 111.751 18.352 18.352 31 HA ALA 5 HA ALA 5 113.812 16.992 16.992 32 1HB ALA 5 2HB ALA 5 112.779 16.208 16.208 33 2HB ALA 5 1HB ALA 5 113.901 17.377 17.377 34 3HB ALA 5 3HB ALA 5 114.513 16.031 16.031 35 H GLY 6 H GLY 6 116.148 17.595 17.595 36 1HA GLY 6 2HA GLY 6 117.497 19.483 19.483 37 2HA GLY 6 1HA GLY 6 116.326 20.575 20.575 38 H SER 7 H SER 7 116.901 21.375 21.375 39 HA SER 7 HA SER 7 119.309 20.425 20.425 40 1HB SER 7 2HB SER 7 118.760 22.244 22.244 41 2HB SER 7 1HB SER 7 118.550 22.790 22.790 42 HG SER 7 HG SER 7 116.770 23.365 23.365 43 H SER 8 H SER 8 119.410 19.327 19.327 44 HA SER 8 HA SER 8 118.698 17.851 17.851 45 1HB SER 8 2HB SER 8 116.913 19.977 19.977 46 2HB SER 8 1HB SER 8 115.859 18.567 18.567 47 HG SER 8 HG SER 8 116.856 19.543 19.543 48 H MET 9 H MET 9 118.551 15.702 15.702 49 HA MET 9 HA MET 9 116.806 14.781 14.781 50 1HB MET 9 2HB MET 9 119.147 13.698 13.698 51 2HB MET 9 1HB MET 9 118.183 12.638 12.638 52 1HG MET 9 2HG MET 9 119.275 13.378 13.378 53 2HG MET 9 1HG MET 9 118.771 15.031 15.031 54 1HE MET 9 2HE MET 9 120.971 12.184 12.184 55 2HE MET 9 1HE MET 9 122.463 12.887 12.887 56 3HE MET 9 3HE MET 9 120.980 12.958 12.958 57 H GLU 10 H GLU 10 117.470 14.101 14.101 58 HA GLU 10 HA GLU 10 114.854 12.632 12.632 59 1HB GLU 10 2HB GLU 10 117.600 12.133 12.133 60 2HB GLU 10 1HB GLU 10 116.329 11.801 11.801 61 1HG GLU 10 2HG GLU 10 116.240 9.781 9.781 62 2HG GLU 10 1HG GLU 10 115.235 10.665 10.665 63 HA PRO 11 HA PRO 11 113.621 15.570 15.570 64 1HB PRO 11 2HB PRO 11 111.860 14.075 14.075 65 2HB PRO 11 1HB PRO 11 111.503 14.654 14.654 66 1HG PRO 11 2HG PRO 11 112.325 11.954 11.954 67 2HG PRO 11 1HG PRO 11 111.227 12.420 12.420 68 1HD PRO 11 2HD PRO 11 113.838 11.598 11.598 69 2HD PRO 11 1HD PRO 11 112.909 12.563 12.563 70 H SER 12 H SER 12 113.506 15.834 15.834 71 HA SER 12 HA SER 12 115.945 15.079 15.079 72 1HB SER 12 2HB SER 12 114.490 16.981 16.981 73 2HB SER 12 1HB SER 12 113.267 15.853 15.853 74 HG SER 12 HG SER 12 115.334 16.825 16.825 75 H ALA 13 H ALA 13 116.551 13.096 13.096 76 HA ALA 13 HA ALA 13 114.629 10.907 10.907 77 1HB ALA 13 3HB ALA 13 117.309 11.196 11.196 78 2HB ALA 13 2HB ALA 13 117.348 10.579 10.579 79 3HB ALA 13 1HB ALA 13 116.525 9.666 9.666 80 H ASP 14 H ASP 14 115.956 13.289 13.289 81 HA ASP 14 HA ASP 14 115.962 11.969 11.969 82 1HB ASP 14 2HB ASP 14 116.341 14.502 14.502 83 2HB ASP 14 1HB ASP 14 114.813 14.698 14.698 84 H TRP 15 H TRP 15 113.266 12.786 12.786 85 HA TRP 15 HA TRP 15 111.095 13.078 13.078 86 1HB TRP 15 2HB TRP 15 111.468 11.546 11.546 87 2HB TRP 15 1HB TRP 15 109.887 11.761 11.761 88 HD1 TRP 15 HD1 TRP 15 112.399 14.572 14.572 89 HE1 TRP 15 HE1 TRP 15 111.605 16.559 16.559 90 HE3 TRP 15 HE3 TRP 15 108.490 12.379 12.379 91 HZ2 TRP 15 HZ2 TRP 15 109.574 17.142 17.142 92 HZ3 TRP 15 HZ3 TRP 15 107.142 13.673 13.673 93 HH2 TRP 15 HH2 TRP 15 107.680 16.048 16.048 94 H LEU 16 H LEU 16 112.907 10.147 10.147 95 HA LEU 16 HA LEU 16 111.384 8.059 8.059 96 1HB LEU 16 2HB LEU 16 114.144 8.761 8.761 97 2HB LEU 16 1HB LEU 16 114.030 7.797 7.797 98 HG LEU 16 HG LEU 16 112.526 6.265 6.265 99 1HD1 LEU 16 3HD1 LEU 16 112.716 8.219 8.219 100 2HD1 LEU 16 2HD1 LEU 16 113.855 7.005 7.005 101 3HD1 LEU 16 1HD1 LEU 16 112.173 6.567 6.567 102 1HD2 LEU 16 3HD2 LEU 16 115.458 6.586 6.586 103 2HD2 LEU 16 2HD2 LEU 16 114.516 5.188 5.188 104 3HD2 LEU 16 1HD2 LEU 16 114.758 5.503 5.503 105 H ALA 17 H ALA 17 113.890 9.032 9.032 106 HA ALA 17 HA ALA 17 112.788 8.249 8.249 107 1HB ALA 17 2HB ALA 17 114.747 10.222 10.222 108 2HB ALA 17 1HB ALA 17 114.117 10.580 10.580 109 3HB ALA 17 3HB ALA 17 114.898 9.032 9.032 110 H THR 18 H THR 18 112.481 11.580 11.580 111 HA THR 18 HA THR 18 110.822 12.709 12.709 112 HB THR 18 HB THR 18 109.896 13.861 13.861 113 HG1 THR 18 HG1 THR 18 111.874 13.692 13.692 114 1HG2 THR 18 1HG2 THR 18 111.264 14.920 14.920 115 2HG2 THR 18 3HG2 THR 18 112.707 14.177 14.177 116 3HG2 THR 18 2HG2 THR 18 111.810 15.382 15.382 117 H ALA 19 H ALA 19 109.627 11.270 11.270 118 HA ALA 19 HA ALA 19 106.872 11.302 11.302 119 1HB ALA 19 2HB ALA 19 108.556 9.355 9.355 120 2HB ALA 19 1HB ALA 19 106.800 9.469 9.469 121 3HB ALA 19 3HB ALA 19 107.798 10.831 10.831 122 H ALA 20 H ALA 20 109.239 8.670 8.670 123 HA ALA 20 HA ALA 20 107.496 6.777 6.777 124 1HB ALA 20 1HB ALA 20 109.892 6.516 6.516 125 2HB ALA 20 3HB ALA 20 110.384 7.368 7.368 126 3HB ALA 20 2HB ALA 20 109.563 5.812 5.812 127 H ALA 21 H ALA 21 109.482 9.298 9.298 128 HA ALA 21 HA ALA 21 108.576 8.754 8.754 129 1HB ALA 21 1HB ALA 21 109.640 11.267 11.267 130 2HB ALA 21 3HB ALA 21 109.526 11.030 11.030 131 3HB ALA 21 2HB ALA 21 110.607 10.018 10.018 132 H ARG 22 H ARG 22 107.183 10.572 10.572 133 HA ARG 22 HA ARG 22 105.239 11.988 11.988 134 1HB ARG 22 2HB ARG 22 105.965 11.795 11.795 135 2HB ARG 22 1HB ARG 22 104.397 12.472 12.472 136 1HG ARG 22 2HG ARG 22 105.512 14.104 14.104 137 2HG ARG 22 1HG ARG 22 107.082 13.435 13.435 138 1HD ARG 22 2HD ARG 22 106.030 13.906 13.906 139 2HD ARG 22 1HD ARG 22 105.296 15.228 15.228 140 HE ARG 22 HE ARG 22 108.208 14.724 14.724 141 1HH1 ARG 22 1HH2 ARG 22 106.559 16.193 16.193 142 2HH1 ARG 22 2HH2 ARG 22 107.073 17.812 17.812 143 1HH2 ARG 22 2HH1 ARG 22 108.457 17.013 17.013 144 2HH2 ARG 22 1HH1 ARG 22 108.156 18.274 18.274 145 H GLY 23 H GLY 23 105.436 8.819 8.819 146 1HA GLY 23 2HA GLY 23 103.859 7.100 7.100 147 2HA GLY 23 1HA GLY 23 102.702 8.264 8.264 148 H ARG 24 H ARG 24 104.522 8.325 8.325 149 HA ARG 24 HA ARG 24 101.896 8.335 8.335 150 1HB ARG 24 2HB ARG 24 104.135 10.189 10.189 151 2HB ARG 24 1HB ARG 24 103.871 9.631 9.631 152 1HG ARG 24 2HG ARG 24 102.490 11.585 11.585 153 2HG ARG 24 1HG ARG 24 101.429 10.176 10.176 154 1HD ARG 24 2HD ARG 24 101.213 10.129 10.129 155 2HD ARG 24 1HD ARG 24 102.477 11.362 11.362 156 HE ARG 24 HE ARG 24 99.874 11.902 11.902 157 1HH1 ARG 24 1HH2 ARG 24 101.788 12.553 12.553 158 2HH1 ARG 24 2HH2 ARG 24 101.584 14.271 14.271 159 1HH2 ARG 24 2HH1 ARG 24 99.923 14.233 14.233 160 2HH2 ARG 24 1HH1 ARG 24 100.523 15.219 15.219 161 H VAL 25 H VAL 25 102.443 5.897 5.897 162 HA VAL 25 HA VAL 25 104.646 4.702 4.702 163 HB VAL 25 HB VAL 25 101.731 3.859 3.859 164 1HG1 VAL 25 3HG1 VAL 25 103.580 2.658 2.658 165 2HG1 VAL 25 2HG1 VAL 25 104.141 2.063 2.063 166 3HG1 VAL 25 1HG1 VAL 25 102.514 1.674 1.674 167 1HG2 VAL 25 3HG2 VAL 25 103.546 4.209 4.209 168 2HG2 VAL 25 2HG2 VAL 25 101.845 3.743 3.743 169 3HG2 VAL 25 1HG2 VAL 25 103.094 2.512 2.512 170 H GLU 26 H GLU 26 101.585 5.830 5.830 171 HA GLU 26 HA GLU 26 102.049 5.033 5.033 172 1HB GLU 26 2HB GLU 26 100.614 7.370 7.370 173 2HB GLU 26 1HB GLU 26 100.522 7.044 7.044 174 1HG GLU 26 2HG GLU 26 99.434 4.976 4.976 175 2HG GLU 26 1HG GLU 26 99.920 4.883 4.883 176 H GLU 27 H GLU 27 103.252 7.864 7.864 177 HA GLU 27 HA GLU 27 104.315 9.273 9.273 178 1HB GLU 27 2HB GLU 27 103.816 10.095 10.095 179 2HB GLU 27 1HB GLU 27 105.338 9.338 9.338 180 1HG GLU 27 2HG GLU 27 106.613 10.888 10.888 181 2HG GLU 27 1HG GLU 27 105.407 11.109 11.109 182 H VAL 28 H VAL 28 105.725 6.942 6.942 183 HA VAL 28 HA VAL 28 108.358 7.027 7.027 184 HB VAL 28 HB VAL 28 107.149 4.974 4.974 185 1HG1 VAL 28 1HG1 VAL 28 109.519 4.844 4.844 186 2HG1 VAL 28 3HG1 VAL 28 110.004 5.808 5.808 187 3HG1 VAL 28 2HG1 VAL 28 109.289 4.214 4.214 188 1HG2 VAL 28 2HG2 VAL 28 107.418 7.715 7.715 189 2HG2 VAL 28 1HG2 VAL 28 107.267 6.465 6.465 190 3HG2 VAL 28 3HG2 VAL 28 108.863 7.018 7.018 191 H ARG 29 H ARG 29 105.631 4.701 4.701 192 HA ARG 29 HA ARG 29 106.673 2.606 2.606 193 1HB ARG 29 2HB ARG 29 104.164 3.561 3.561 194 2HB ARG 29 1HB ARG 29 103.995 3.349 3.349 195 1HG ARG 29 2HG ARG 29 103.490 1.208 1.208 196 2HG ARG 29 1HG ARG 29 105.230 1.058 1.058 197 1HD ARG 29 2HD ARG 29 105.413 0.459 0.459 198 2HD ARG 29 1HD ARG 29 104.870 2.087 2.087 199 HE ARG 29 HE ARG 29 102.552 1.247 1.247 200 1HH1 ARG 29 2HH1 ARG 29 104.259 -1.181 -1.181 201 2HH1 ARG 29 1HH1 ARG 29 103.636 -2.475 -2.475 202 1HH2 ARG 29 1HH2 ARG 29 102.099 -0.377 -0.377 203 2HH2 ARG 29 2HH2 ARG 29 102.415 -2.020 -2.020 204 H ALA 30 H ALA 30 105.160 5.607 5.607 205 HA ALA 30 HA ALA 30 105.620 4.986 4.986 206 1HB ALA 30 3HB ALA 30 104.542 7.120 7.120 207 2HB ALA 30 2HB ALA 30 105.405 7.755 7.755 208 3HB ALA 30 1HB ALA 30 104.064 6.634 6.634 209 H LEU 31 H LEU 31 107.517 6.599 6.599 210 HA LEU 31 HA LEU 31 109.431 7.872 7.872 211 1HB LEU 31 2HB LEU 31 109.148 7.119 7.119 212 2HB LEU 31 1HB LEU 31 110.762 7.549 7.549 213 HG LEU 31 HG LEU 31 108.400 9.299 9.299 214 1HD1 LEU 31 1HD1 LEU 31 108.659 8.793 8.793 215 2HD1 LEU 31 3HD1 LEU 31 110.139 9.742 9.742 216 3HD1 LEU 31 2HD1 LEU 31 108.584 10.481 10.481 217 1HD2 LEU 31 1HD2 LEU 31 111.297 9.349 9.349 218 2HD2 LEU 31 3HD2 LEU 31 110.075 10.381 10.381 219 3HD2 LEU 31 2HD2 LEU 31 110.719 10.783 10.783 220 H LEU 32 H LEU 32 110.102 5.123 5.123 221 HA LEU 32 HA LEU 32 112.472 4.190 4.190 222 1HB LEU 32 2HB LEU 32 110.114 2.904 2.904 223 2HB LEU 32 1HB LEU 32 111.447 1.893 1.893 224 HG LEU 32 HG LEU 32 112.297 4.307 4.307 225 1HD1 LEU 32 2HD1 LEU 32 110.079 3.208 3.208 226 2HD1 LEU 32 1HD1 LEU 32 111.287 2.120 2.120 227 3HD1 LEU 32 3HD1 LEU 32 111.383 3.852 3.852 228 1HD2 LEU 32 1HD2 LEU 32 113.435 1.954 1.954 229 2HD2 LEU 32 3HD2 LEU 32 114.034 2.939 2.939 230 3HD2 LEU 32 2HD2 LEU 32 112.975 1.572 1.572 231 H GLU 33 H GLU 33 109.192 3.100 3.100 232 HA GLU 33 HA GLU 33 110.039 1.288 1.288 233 1HB GLU 33 2HB GLU 33 107.666 2.226 2.226 234 2HB GLU 33 1HB GLU 33 107.549 2.717 2.717 235 1HG GLU 33 2HG GLU 33 108.538 0.141 0.141 236 2HG GLU 33 1HG GLU 33 107.431 0.025 0.025 237 H ALA 34 H ALA 34 109.816 4.785 4.785 238 HA ALA 34 HA ALA 34 109.987 4.970 4.970 239 1HB ALA 34 2HB ALA 34 109.877 6.937 6.937 240 2HB ALA 34 1HB ALA 34 110.008 7.444 7.444 241 3HB ALA 34 3HB ALA 34 108.591 6.544 6.544 242 H GLY 35 H GLY 35 112.197 4.518 4.518 243 1HA GLY 35 2HA GLY 35 114.566 4.221 4.221 244 2HA GLY 35 1HA GLY 35 114.386 5.622 5.622 245 H ALA 36 H ALA 36 113.020 5.545 5.545 246 HA ALA 36 HA ALA 36 114.486 7.967 7.967 247 1HB ALA 36 3HB ALA 36 112.646 6.105 6.105 248 2HB ALA 36 2HB ALA 36 113.158 7.702 7.702 249 3HB ALA 36 1HB ALA 36 112.151 7.542 7.542 250 H LEU 37 H LEU 37 116.434 8.009 8.009 251 HA LEU 37 HA LEU 37 118.126 5.839 5.839 252 1HB LEU 37 2HB LEU 37 118.104 8.600 8.600 253 2HB LEU 37 1HB LEU 37 118.375 7.984 7.984 254 HG LEU 37 HG LEU 37 119.995 6.437 6.437 255 1HD1 LEU 37 1HD1 LEU 37 119.609 9.135 9.135 256 2HD1 LEU 37 3HD1 LEU 37 121.280 8.910 8.910 257 3HD1 LEU 37 2HD1 LEU 37 120.578 7.837 7.837 258 1HD2 LEU 37 3HD2 LEU 37 120.178 7.561 7.561 259 2HD2 LEU 37 2HD2 LEU 37 121.566 6.917 6.917 260 3HD2 LEU 37 1HD2 LEU 37 121.225 8.646 8.646 261 HA PRO 38 HA PRO 38 115.793 4.000 4.000 262 1HB PRO 38 2HB PRO 38 117.290 1.711 1.711 263 2HB PRO 38 1HB PRO 38 115.990 1.959 1.959 264 1HG PRO 38 2HG PRO 38 118.938 2.244 2.244 265 2HG PRO 38 1HG PRO 38 117.740 1.540 1.540 266 1HD PRO 38 2HD PRO 38 118.747 4.029 4.029 267 2HD PRO 38 1HD PRO 38 117.093 3.588 3.588 268 H ASN 39 H ASN 39 119.314 4.308 4.308 269 HA ASN 39 HA ASN 39 119.498 4.391 4.391 270 1HB ASN 39 2HB ASN 39 121.074 3.265 3.265 271 2HB ASN 39 1HB ASN 39 122.060 4.292 4.292 272 1HD2 ASN 39 1HD2 ASN 39 119.222 2.448 2.448 273 2HD2 ASN 39 2HD2 ASN 39 120.104 1.404 1.404 274 H ALA 40 H ALA 40 118.462 6.683 6.683 275 HA ALA 40 HA ALA 40 120.532 8.613 8.613 276 1HB ALA 40 2HB ALA 40 117.820 8.354 8.354 277 2HB ALA 40 1HB ALA 40 117.908 9.539 9.539 278 3HB ALA 40 3HB ALA 40 118.702 9.864 9.864 279 HA PRO 41 HA PRO 41 121.631 9.806 9.806 280 1HB PRO 41 2HB PRO 41 122.449 12.377 12.377 281 2HB PRO 41 1HB PRO 41 123.403 10.961 10.961 282 1HG PRO 41 2HG PRO 41 121.649 12.708 12.708 283 2HG PRO 41 1HG PRO 41 123.199 11.955 11.955 284 1HD PRO 41 2HD PRO 41 120.782 10.992 10.992 285 2HD PRO 41 1HD PRO 41 122.227 9.981 9.981 286 H ASN 42 H ASN 42 120.010 10.173 10.173 287 HA ASN 42 HA ASN 42 117.923 12.207 12.207 288 1HB ASN 42 2HB ASN 42 118.240 10.208 10.208 289 2HB ASN 42 1HB ASN 42 116.773 11.097 11.097 290 1HD2 ASN 42 1HD2 ASN 42 117.048 10.822 10.822 291 2HD2 ASN 42 2HD2 ASN 42 116.764 9.192 9.192 292 H SER 43 H SER 43 117.263 13.563 13.563 293 HA SER 43 HA SER 43 119.680 14.899 14.899 294 1HB SER 43 2HB SER 43 118.031 16.341 16.341 295 2HB SER 43 1HB SER 43 116.717 15.451 15.451 296 HG SER 43 HG SER 43 117.126 16.418 16.418 297 H TYR 44 H TYR 44 118.961 12.216 12.216 298 HA TYR 44 HA TYR 44 118.673 13.020 13.020 299 1HB TYR 44 2HB TYR 44 117.017 11.208 11.208 300 2HB TYR 44 1HB TYR 44 117.361 10.658 10.658 301 HD1 TYR 44 HD2 TYR 44 116.674 12.012 12.012 302 HD2 TYR 44 HD1 TYR 44 115.620 13.143 13.143 303 HE1 TYR 44 HE2 TYR 44 114.975 13.583 13.583 304 HE2 TYR 44 HE1 TYR 44 113.921 14.716 14.716 305 HH TYR 44 HH TYR 44 113.853 15.820 15.820 306 H GLY 45 H GLY 45 120.629 11.591 11.591 307 1HA GLY 45 2HA GLY 45 122.405 10.083 10.083 308 2HA GLY 45 1HA GLY 45 122.458 10.509 10.509 309 H ARG 46 H ARG 46 119.585 9.075 9.075 310 HA ARG 46 HA ARG 46 120.312 6.472 6.472 311 1HB ARG 46 2HB ARG 46 117.863 8.208 8.208 312 2HB ARG 46 1HB ARG 46 117.798 6.482 6.482 313 1HG ARG 46 2HG ARG 46 120.040 7.126 7.126 314 2HG ARG 46 1HG ARG 46 119.194 8.670 8.670 315 1HD ARG 46 2HD ARG 46 117.171 7.437 7.437 316 2HD ARG 46 1HD ARG 46 118.159 5.963 5.963 317 HE ARG 46 HE ARG 46 119.674 7.150 7.150 318 1HH1 ARG 46 1HH2 ARG 46 117.852 9.667 9.667 319 2HH1 ARG 46 2HH2 ARG 46 117.242 10.123 10.123 320 1HH2 ARG 46 2HH1 ARG 46 118.354 7.243 7.243 321 2HH2 ARG 46 1HH1 ARG 46 117.528 8.753 8.753 322 H ARG 47 H ARG 47 120.083 7.581 7.581 323 HA ARG 47 HA ARG 47 119.297 6.830 6.830 324 1HB ARG 47 2HB ARG 47 120.144 4.704 4.704 325 2HB ARG 47 1HB ARG 47 118.852 4.109 4.109 326 1HG ARG 47 2HG ARG 47 120.803 3.733 3.733 327 2HG ARG 47 1HG ARG 47 120.149 5.231 5.231 328 1HD ARG 47 2HD ARG 47 122.098 6.275 6.275 329 2HD ARG 47 1HD ARG 47 121.833 5.919 5.919 330 HE ARG 47 HE ARG 47 123.164 3.937 3.937 331 1HH1 ARG 47 2HH1 ARG 47 121.931 3.781 3.781 332 2HH1 ARG 47 1HH1 ARG 47 123.416 3.687 3.687 333 1HH2 ARG 47 1HH2 ARG 47 125.394 4.585 4.585 334 2HH2 ARG 47 2HH2 ARG 47 125.376 4.130 4.130 335 HA PRO 48 HA PRO 48 114.920 6.347 6.347 336 1HB PRO 48 2HB PRO 48 114.414 4.295 4.295 337 2HB PRO 48 1HB PRO 48 115.024 5.879 5.879 338 1HG PRO 48 2HG PRO 48 116.486 3.319 3.319 339 2HG PRO 48 1HG PRO 48 116.706 4.576 4.576 340 1HD PRO 48 2HD PRO 48 118.323 4.268 4.268 341 2HD PRO 48 1HD PRO 48 118.087 5.810 5.810 342 H ILE 49 H ILE 49 113.026 4.599 4.599 343 HA ILE 49 HA ILE 49 111.903 3.040 3.040 344 HB ILE 49 HB ILE 49 114.639 1.748 1.748 345 1HG1 ILE 49 2HG1 ILE 49 112.076 1.646 1.646 346 2HG1 ILE 49 1HG1 ILE 49 113.715 1.940 1.940 347 1HG2 ILE 49 2HG2 ILE 49 113.291 0.884 0.884 348 2HG2 ILE 49 1HG2 ILE 49 111.976 0.525 0.525 349 3HG2 ILE 49 3HG2 ILE 49 113.514 -0.327 -0.327 350 1HD1 ILE 49 2HD1 ILE 49 114.293 -0.417 -0.417 351 2HD1 ILE 49 1HD1 ILE 49 112.586 -0.676 -0.676 352 3HD1 ILE 49 3HD1 ILE 49 113.102 -0.319 -0.319 353 H GLN 50 H GLN 50 115.212 2.958 2.958 354 HA GLN 50 HA GLN 50 114.515 2.762 2.762 355 1HB GLN 50 2HB GLN 50 116.784 3.378 3.378 356 2HB GLN 50 1HB GLN 50 116.693 4.630 4.630 357 1HG GLN 50 2HG GLN 50 116.143 2.383 2.383 358 2HG GLN 50 1HG GLN 50 117.284 1.754 1.754 359 1HE2 GLN 50 1HE2 GLN 50 119.167 3.612 3.612 360 2HE2 GLN 50 2HE2 GLN 50 119.879 4.124 4.124 361 H VAL 51 H VAL 51 114.142 5.522 5.522 362 HA VAL 51 HA VAL 51 113.335 7.197 7.197 363 HB VAL 51 HB VAL 51 115.327 7.874 7.874 364 1HG1 VAL 51 1HG1 VAL 51 113.204 8.206 8.206 365 2HG1 VAL 51 3HG1 VAL 51 114.854 8.817 8.817 366 3HG1 VAL 51 2HG1 VAL 51 114.562 7.081 7.081 367 1HG2 VAL 51 2HG2 VAL 51 112.896 9.680 9.680 368 2HG2 VAL 51 1HG2 VAL 51 114.146 9.578 9.578 369 3HG2 VAL 51 3HG2 VAL 51 114.533 10.234 10.234 370 H MET 52 H MET 52 111.908 5.290 5.290 371 HA MET 52 HA MET 52 109.948 7.070 7.070 372 1HB MET 52 2HB MET 52 108.837 4.984 4.984 373 2HB MET 52 1HB MET 52 110.574 4.809 4.809 374 1HG MET 52 2HG MET 52 110.714 3.156 3.156 375 2HG MET 52 1HG MET 52 109.680 4.006 4.006 376 1HE MET 52 1HE MET 52 110.176 0.985 0.985 377 2HE MET 52 3HE MET 52 108.985 0.985 0.985 378 3HE MET 52 2HE MET 52 108.624 0.182 0.182 379 H MET 53 H MET 53 107.514 6.707 6.707 380 HA MET 53 HA MET 53 106.937 7.648 7.648 381 1HB MET 53 2HB MET 53 105.485 7.546 7.546 382 2HB MET 53 1HB MET 53 105.174 5.855 5.855 383 1HG MET 53 2HG MET 53 104.769 7.396 7.396 384 2HG MET 53 1HG MET 53 103.888 8.180 8.180 385 1HE MET 53 1HE MET 53 101.824 7.464 7.464 386 2HE MET 53 3HE MET 53 102.793 6.320 6.320 387 3HE MET 53 2HE MET 53 101.286 5.797 5.797 388 H MET 54 H MET 54 107.736 4.428 4.428 389 HA MET 54 HA MET 54 107.987 2.429 2.429 390 1HB MET 54 2HB MET 54 108.420 4.641 4.641 391 2HB MET 54 1HB MET 54 107.571 3.376 3.376 392 1HG MET 54 2HG MET 54 109.862 2.825 2.825 393 2HG MET 54 1HG MET 54 109.293 1.752 1.752 394 1HE MET 54 3HE MET 54 110.531 1.142 1.142 395 2HE MET 54 2HE MET 54 110.927 2.097 2.097 396 3HE MET 54 1HE MET 54 112.177 1.738 1.738 397 H GLY 55 H GLY 55 105.197 3.959 3.959 398 1HA GLY 55 2HA GLY 55 103.619 2.006 2.006 399 2HA GLY 55 1HA GLY 55 103.028 3.624 3.624 400 H SER 56 H SER 56 104.869 2.074 2.074 401 HA SER 56 HA SER 56 102.491 0.935 0.935 402 1HB SER 56 2HB SER 56 103.785 3.520 3.520 403 2HB SER 56 1HB SER 56 103.625 2.486 2.486 404 HG SER 56 HG SER 56 101.530 3.080 3.080 405 H ALA 57 H ALA 57 103.938 -0.965 -0.965 406 HA ALA 57 HA ALA 57 106.537 -1.462 -1.462 407 1HB ALA 57 1HB ALA 57 103.998 -3.085 -3.085 408 2HB ALA 57 3HB ALA 57 105.513 -3.815 -3.815 409 3HB ALA 57 2HB ALA 57 105.366 -3.181 -3.181 410 H ARG 58 H ARG 58 103.704 -1.078 -1.078 411 HA ARG 58 HA ARG 58 104.542 -2.198 -2.198 412 1HB ARG 58 2HB ARG 58 103.076 0.376 0.376 413 2HB ARG 58 1HB ARG 58 103.142 -0.314 -0.314 414 1HG ARG 58 2HG ARG 58 101.595 -1.883 -1.883 415 2HG ARG 58 1HG ARG 58 102.376 -2.285 -2.285 416 1HD ARG 58 2HD ARG 58 101.158 -0.667 -0.667 417 2HD ARG 58 1HD ARG 58 100.839 0.309 0.309 418 HE ARG 58 HE ARG 58 99.167 -1.829 -1.829 419 1HH1 ARG 58 2HH1 ARG 58 98.312 0.215 0.215 420 2HH1 ARG 58 1HH1 ARG 58 98.143 -0.731 -0.731 421 1HH2 ARG 58 1HH2 ARG 58 99.991 -3.401 -3.401 422 2HH2 ARG 58 2HH2 ARG 58 99.093 -2.781 -2.781 423 H VAL 59 H VAL 59 105.364 0.984 0.984 424 HA VAL 59 HA VAL 59 106.878 2.089 2.089 425 HB VAL 59 HB VAL 59 107.165 2.194 2.194 426 1HG1 VAL 59 2HG1 VAL 59 108.391 3.965 3.965 427 2HG1 VAL 59 1HG1 VAL 59 108.360 4.349 4.349 428 3HG1 VAL 59 3HG1 VAL 59 109.262 2.947 2.947 429 1HG2 VAL 59 3HG2 VAL 59 105.652 3.757 3.757 430 2HG2 VAL 59 2HG2 VAL 59 105.057 3.058 3.058 431 3HG2 VAL 59 1HG2 VAL 59 106.073 4.498 4.498 432 H ALA 60 H ALA 60 108.216 0.323 0.323 433 HA ALA 60 HA ALA 60 110.846 -0.014 -0.014 434 1HB ALA 60 3HB ALA 60 109.555 -0.595 -0.595 435 2HB ALA 60 2HB ALA 60 109.426 -2.190 -2.190 436 3HB ALA 60 1HB ALA 60 111.012 -1.484 -1.484 437 H GLU 61 H GLU 61 108.087 -2.297 -2.297 438 HA GLU 61 HA GLU 61 109.215 -4.345 -4.345 439 1HB GLU 61 2HB GLU 61 106.762 -3.699 -3.699 440 2HB GLU 61 1HB GLU 61 106.571 -3.213 -3.213 441 1HG GLU 61 2HG GLU 61 107.241 -5.441 -5.441 442 2HG GLU 61 1HG GLU 61 107.534 -5.940 -5.940 443 H LEU 62 H LEU 62 108.229 -1.134 -1.134 444 HA LEU 62 HA LEU 62 108.768 -1.622 -1.622 445 1HB LEU 62 2HB LEU 62 107.174 0.003 0.003 446 2HB LEU 62 1HB LEU 62 107.864 0.536 0.536 447 HG LEU 62 HG LEU 62 109.661 1.671 1.671 448 1HD1 LEU 62 2HD1 LEU 62 108.703 0.027 0.027 449 2HD1 LEU 62 1HD1 LEU 62 108.860 1.719 1.719 450 3HD1 LEU 62 3HD1 LEU 62 110.249 0.852 0.852 451 1HD2 LEU 62 3HD2 LEU 62 106.831 2.230 2.230 452 2HD2 LEU 62 2HD2 LEU 62 107.842 3.107 3.107 453 3HD2 LEU 62 1HD2 LEU 62 108.143 3.243 3.243 454 H LEU 63 H LEU 63 110.259 0.562 0.562 455 HA LEU 63 HA LEU 63 112.605 1.128 1.128 456 1HB LEU 63 2HB LEU 63 111.971 1.097 1.097 457 2HB LEU 63 1HB LEU 63 113.447 1.796 1.796 458 HG LEU 63 HG LEU 63 111.037 2.711 2.711 459 1HD1 LEU 63 2HD1 LEU 63 110.864 2.511 2.511 460 2HD1 LEU 63 1HD1 LEU 63 111.091 4.215 4.215 461 3HD1 LEU 63 3HD1 LEU 63 109.747 3.318 3.318 462 1HD2 LEU 63 1HD2 LEU 63 113.419 3.987 3.987 463 2HD2 LEU 63 3HD2 LEU 63 113.137 3.807 3.807 464 3HD2 LEU 63 2HD2 LEU 63 112.155 4.930 4.930 465 H LEU 64 H LEU 64 112.247 -1.096 -1.096 466 HA LEU 64 HA LEU 64 114.786 -2.238 -2.238 467 1HB LEU 64 2HB LEU 64 112.392 -2.607 -2.607 468 2HB LEU 64 1HB LEU 64 112.507 -4.103 -4.103 469 HG LEU 64 HG LEU 64 114.847 -3.105 -3.105 470 1HD1 LEU 64 1HD1 LEU 64 112.523 -3.453 -3.453 471 2HD1 LEU 64 3HD1 LEU 64 112.986 -5.149 -5.149 472 3HD1 LEU 64 2HD1 LEU 64 114.043 -4.008 -4.008 473 1HD2 LEU 64 1HD2 LEU 64 115.089 -4.939 -4.939 474 2HD2 LEU 64 3HD2 LEU 64 115.473 -5.452 -5.452 475 3HD2 LEU 64 2HD2 LEU 64 113.924 -5.886 -5.886 476 H LEU 65 H LEU 65 112.020 -3.800 -3.800 477 HA LEU 65 HA LEU 65 113.579 -5.703 -5.703 478 1HB LEU 65 2HB LEU 65 111.573 -6.215 -6.215 479 2HB LEU 65 1HB LEU 65 110.940 -5.097 -5.097 480 HG LEU 65 HG LEU 65 111.415 -3.270 -3.270 481 1HD1 LEU 65 2HD1 LEU 65 111.996 -5.776 -5.776 482 2HD1 LEU 65 1HD1 LEU 65 110.799 -4.785 -4.785 483 3HD1 LEU 65 3HD1 LEU 65 112.386 -4.117 -4.117 484 1HD2 LEU 65 3HD2 LEU 65 109.182 -5.091 -5.091 485 2HD2 LEU 65 2HD2 LEU 65 109.163 -3.354 -3.354 486 3HD2 LEU 65 1HD2 LEU 65 109.193 -4.476 -4.476 487 H HIS 66 H HIS 66 113.172 -2.285 -2.285 488 HA HIS 66 HA HIS 66 114.212 -2.310 -2.310 489 1HB HIS 66 2HB HIS 66 112.999 -0.538 -0.538 490 2HB HIS 66 1HB HIS 66 114.325 0.226 0.226 491 HD1 HIS 66 HD1 HIS 66 114.164 0.290 0.290 492 HD2 HIS 66 HD2 HIS 66 110.705 -0.966 -0.966 493 HE1 HIS 66 HE1 HIS 66 112.297 0.379 0.379 494 H GLY 67 H GLY 67 115.437 -1.883 -1.883 495 1HA GLY 67 2HA GLY 67 117.905 -2.551 -2.551 496 2HA GLY 67 1HA GLY 67 118.119 -1.289 -1.289 497 H ALA 68 H ALA 68 115.930 -1.138 -1.138 498 HA ALA 68 HA ALA 68 116.842 1.488 1.488 499 1HB ALA 68 2HB ALA 68 114.611 0.377 0.377 500 2HB ALA 68 1HB ALA 68 115.413 -0.614 -0.614 501 3HB ALA 68 3HB ALA 68 115.326 1.134 1.134 502 H GLU 69 H GLU 69 116.974 0.864 0.864 503 HA GLU 69 HA GLU 69 119.773 -0.196 -0.196 504 1HB GLU 69 2HB GLU 69 120.116 1.391 1.391 505 2HB GLU 69 1HB GLU 69 119.351 2.247 2.247 506 1HG GLU 69 2HG GLU 69 117.621 2.821 2.821 507 2HG GLU 69 1HG GLU 69 117.290 1.126 1.126 508 HA PRO 70 HA PRO 70 116.821 -2.803 -2.803 509 1HB PRO 70 2HB PRO 70 117.365 -5.200 -5.200 510 2HB PRO 70 1HB PRO 70 116.047 -4.125 -4.125 511 1HG PRO 70 2HG PRO 70 118.778 -4.446 -4.446 512 2HG PRO 70 1HG PRO 70 117.218 -4.274 -4.274 513 1HD PRO 70 2HD PRO 70 118.933 -2.212 -2.212 514 2HD PRO 70 1HD PRO 70 117.169 -1.988 -1.988 515 H ASN 71 H ASN 71 120.117 -2.597 -2.597 516 HA ASN 71 HA ASN 71 120.861 -4.255 -4.255 517 1HB ASN 71 2HB ASN 71 121.369 -5.353 -5.353 518 2HB ASN 71 1HB ASN 71 122.331 -3.948 -3.948 519 1HD2 ASN 71 1HD2 ASN 71 124.269 -3.461 -3.461 520 2HD2 ASN 71 2HD2 ASN 71 125.032 -4.739 -4.739 521 H CYS 72 H CYS 72 122.470 -1.988 -1.988 522 HA CYS 72 HA CYS 72 124.335 -0.851 -0.851 523 1HB CYS 72 2HB CYS 72 123.293 -0.389 -0.389 524 2HB CYS 72 1HB CYS 72 122.937 1.116 1.116 525 HG CYS 72 HG CYS 72 125.745 0.534 0.534 526 H ALA 73 H ALA 73 124.323 0.792 0.792 527 HA ALA 73 HA ALA 73 121.668 1.947 1.947 528 1HB ALA 73 3HB ALA 73 122.641 -0.174 -0.174 529 2HB ALA 73 2HB ALA 73 123.650 1.021 1.021 530 3HB ALA 73 1HB ALA 73 121.895 1.125 1.125 531 H ASP 74 H ASP 74 123.341 2.916 2.916 532 HA ASP 74 HA ASP 74 124.540 5.271 5.271 533 1HB ASP 74 2HB ASP 74 122.513 5.317 5.317 534 2HB ASP 74 1HB ASP 74 123.758 5.136 5.136 535 HA PRO 75 HA PRO 75 128.420 3.796 3.796 536 1HB PRO 75 2HB PRO 75 129.907 6.044 6.044 537 2HB PRO 75 1HB PRO 75 129.436 4.893 4.893 538 1HG PRO 75 2HG PRO 75 128.250 7.530 7.530 539 2HG PRO 75 1HG PRO 75 128.507 6.794 6.794 540 1HD PRO 75 2HD PRO 75 126.087 6.856 6.856 541 2HD PRO 75 1HD PRO 75 126.555 5.601 5.601 542 H ALA 76 H ALA 76 126.495 6.256 6.256 543 HA ALA 76 HA ALA 76 128.410 6.932 6.932 544 1HB ALA 76 3HB ALA 76 125.656 7.903 7.903 545 2HB ALA 76 2HB ALA 76 126.520 8.517 8.517 546 3HB ALA 76 1HB ALA 76 127.187 8.752 8.752 547 H THR 77 H THR 77 125.072 5.672 5.672 548 HA THR 77 HA THR 77 125.360 4.380 4.380 549 HB THR 77 HB THR 77 122.634 4.671 4.671 550 HG1 THR 77 HG1 THR 77 122.590 6.924 6.924 551 1HG2 THR 77 2HG2 THR 77 123.635 4.701 4.701 552 2HG2 THR 77 1HG2 THR 77 124.313 6.290 6.290 553 3HG2 THR 77 3HG2 THR 77 122.564 6.072 6.072 554 H LEU 78 H LEU 78 125.542 3.552 3.552 555 HA LEU 78 HA LEU 78 124.977 1.631 1.631 556 1HB LEU 78 2HB LEU 78 125.540 0.883 0.883 557 2HB LEU 78 1HB LEU 78 124.748 -0.357 -0.357 558 HG LEU 78 HG LEU 78 127.368 1.033 1.033 559 1HD1 LEU 78 1HD1 LEU 78 127.455 -0.791 -0.791 560 2HD1 LEU 78 3HD1 LEU 78 126.673 -1.874 -1.874 561 3HD1 LEU 78 2HD1 LEU 78 128.283 -1.240 -1.240 562 1HD2 LEU 78 1HD2 LEU 78 125.426 -0.251 -0.251 563 2HD2 LEU 78 3HD2 LEU 78 126.896 0.628 0.628 564 3HD2 LEU 78 2HD2 LEU 78 126.974 -1.090 -1.090 565 H THR 79 H THR 79 122.717 3.306 3.306 566 HA THR 79 HA THR 79 120.561 1.681 1.681 567 HB THR 79 HB THR 79 119.463 3.737 3.737 568 HG1 THR 79 HG1 THR 79 121.056 5.006 5.006 569 1HG2 THR 79 1HG2 THR 79 119.433 3.001 3.001 570 2HG2 THR 79 3HG2 THR 79 120.502 4.396 4.396 571 3HG2 THR 79 2HG2 THR 79 118.879 4.590 4.590 572 H ARG 80 H ARG 80 120.605 -0.274 -0.274 573 HA ARG 80 HA ARG 80 120.493 -0.284 -0.284 574 1HB ARG 80 2HB ARG 80 120.194 -2.166 -2.166 575 2HB ARG 80 1HB ARG 80 119.443 -2.667 -2.667 576 1HG ARG 80 2HG ARG 80 121.849 -1.750 -1.750 577 2HG ARG 80 1HG ARG 80 122.308 -2.382 -2.382 578 1HD ARG 80 2HD ARG 80 121.914 -4.555 -4.555 579 2HD ARG 80 1HD ARG 80 120.515 -4.120 -4.120 580 HE ARG 80 HE ARG 80 121.980 -3.807 -3.807 581 1HH1 ARG 80 1HH2 ARG 80 123.749 -5.654 -5.654 582 2HH1 ARG 80 2HH2 ARG 80 125.281 -4.878 -4.878 583 1HH2 ARG 80 2HH1 ARG 80 123.929 -2.023 -2.023 584 2HH2 ARG 80 1HH1 ARG 80 125.384 -2.820 -2.820 585 HA PRO 81 HA PRO 81 116.221 0.349 0.349 586 1HB PRO 81 2HB PRO 81 115.644 -1.559 -1.559 587 2HB PRO 81 1HB PRO 81 116.664 -0.149 -0.149 588 1HG PRO 81 2HG PRO 81 117.468 -2.949 -2.949 589 2HG PRO 81 1HG PRO 81 118.137 -1.828 -1.828 590 1HD PRO 81 2HD PRO 81 119.307 -2.323 -2.323 591 2HD PRO 81 1HD PRO 81 119.463 -0.774 -0.774 592 H VAL 82 H VAL 82 117.240 -2.300 -2.300 593 HA VAL 82 HA VAL 82 114.734 -3.823 -3.823 594 HB VAL 82 HB VAL 82 117.211 -3.935 -3.935 595 1HG1 VAL 82 1HG1 VAL 82 115.148 -5.203 -5.203 596 2HG1 VAL 82 3HG1 VAL 82 115.265 -6.116 -6.116 597 3HG1 VAL 82 2HG1 VAL 82 116.556 -6.221 -6.221 598 1HG2 VAL 82 2HG2 VAL 82 116.631 -5.288 -5.288 599 2HG2 VAL 82 1HG2 VAL 82 117.864 -4.063 -4.063 600 3HG2 VAL 82 3HG2 VAL 82 118.008 -5.655 -5.655 601 H HIS 83 H HIS 83 116.395 -1.376 -1.376 602 HA HIS 83 HA HIS 83 114.784 -1.634 -1.634 603 1HB HIS 83 2HB HIS 83 116.300 0.722 0.722 604 2HB HIS 83 1HB HIS 83 115.730 0.622 0.622 605 HD2 HIS 83 HD2 HIS 83 117.897 -0.142 -0.142 606 HE1 HIS 83 HE1 HIS 83 119.662 -2.863 -2.863 607 HE2 HIS 83 HE2 HIS 83 119.827 -1.805 -1.805 608 H ASP 84 H ASP 84 114.594 0.437 0.437 609 HA ASP 84 HA ASP 84 112.414 2.083 2.083 610 1HB ASP 84 2HB ASP 84 113.760 1.002 1.002 611 2HB ASP 84 1HB ASP 84 112.116 1.566 1.566 612 H ALA 85 H ALA 85 112.234 -1.052 -1.052 613 HA ALA 85 HA ALA 85 109.439 -1.233 -1.233 614 1HB ALA 85 1HB ALA 85 111.458 -2.721 -2.721 615 2HB ALA 85 3HB ALA 85 111.157 -3.604 -3.604 616 3HB ALA 85 2HB ALA 85 109.893 -3.486 -3.486 617 H ALA 86 H ALA 86 111.341 -2.897 -2.897 618 HA ALA 86 HA ALA 86 109.169 -3.599 -3.599 619 1HB ALA 86 3HB ALA 86 111.923 -3.894 -3.894 620 2HB ALA 86 2HB ALA 86 111.678 -2.926 -2.926 621 3HB ALA 86 1HB ALA 86 110.876 -4.487 -4.487 622 H ARG 87 H ARG 87 111.435 -0.841 -0.841 623 HA ARG 87 HA ARG 87 110.410 0.482 0.482 624 1HB ARG 87 2HB ARG 87 112.351 1.207 1.207 625 2HB ARG 87 1HB ARG 87 111.355 1.557 1.557 626 1HG ARG 87 2HG ARG 87 111.555 3.687 3.687 627 2HG ARG 87 1HG ARG 87 110.091 3.155 3.155 628 1HD ARG 87 2HD ARG 87 111.234 2.732 2.732 629 2HD ARG 87 1HD ARG 87 112.817 2.698 2.698 630 HE ARG 87 HE ARG 87 111.305 5.225 5.225 631 1HH1 ARG 87 2HH1 ARG 87 114.372 4.260 4.260 632 2HH1 ARG 87 1HH1 ARG 87 114.942 5.232 5.232 633 1HH2 ARG 87 1HH2 ARG 87 111.764 6.114 6.114 634 2HH2 ARG 87 2HH2 ARG 87 113.464 6.285 6.285 635 H GLU 88 H GLU 88 108.859 0.242 0.242 636 HA GLU 88 HA GLU 88 106.752 2.175 2.175 637 1HB GLU 88 2HB GLU 88 107.960 2.431 2.431 638 2HB GLU 88 1HB GLU 88 107.279 0.884 0.884 639 1HG GLU 88 2HG GLU 88 105.928 2.782 2.782 640 2HG GLU 88 1HG GLU 88 105.005 1.778 1.778 641 H GLY 89 H GLY 89 107.302 -1.155 -1.155 642 1HA GLY 89 2HA GLY 89 105.803 -2.881 -2.881 643 2HA GLY 89 1HA GLY 89 104.487 -1.709 -1.709 644 H PHE 90 H PHE 90 106.588 -1.874 -1.874 645 HA PHE 90 HA PHE 90 104.348 -3.058 -3.058 646 1HB PHE 90 2HB PHE 90 105.873 -0.800 -0.800 647 2HB PHE 90 1HB PHE 90 106.698 -1.938 -1.938 648 HD1 PHE 90 HD1 PHE 90 105.224 -3.319 -3.319 649 HD2 PHE 90 HD2 PHE 90 103.893 0.248 0.248 650 HE1 PHE 90 HE1 PHE 90 103.430 -3.055 -3.055 651 HE2 PHE 90 HE2 PHE 90 102.096 0.511 0.511 652 HZ PHE 90 HZ PHE 90 101.876 -1.136 -1.136 653 H LEU 91 H LEU 91 104.695 -5.284 -5.284 654 HA LEU 91 HA LEU 91 107.275 -6.570 -6.570 655 1HB LEU 91 2HB LEU 91 104.793 -7.217 -7.217 656 2HB LEU 91 1HB LEU 91 104.783 -8.024 -8.024 657 HG LEU 91 HG LEU 91 107.083 -8.336 -8.336 658 1HD1 LEU 91 3HD1 LEU 91 104.607 -10.065 -10.065 659 2HD1 LEU 91 2HD1 LEU 91 106.026 -10.452 -10.452 660 3HD1 LEU 91 1HD1 LEU 91 105.020 -9.066 -9.066 661 1HD2 LEU 91 3HD2 LEU 91 106.173 -9.543 -9.543 662 2HD2 LEU 91 2HD2 LEU 91 107.809 -9.192 -9.192 663 3HD2 LEU 91 1HD2 LEU 91 106.957 -10.613 -10.613 664 H ASP 92 H ASP 92 104.671 -5.951 -5.951 665 HA ASP 92 HA ASP 92 105.469 -7.510 -7.510 666 1HB ASP 92 2HB ASP 92 104.372 -4.692 -4.692 667 2HB ASP 92 1HB ASP 92 104.408 -5.652 -5.652 668 H THR 93 H THR 93 106.727 -4.309 -4.309 669 HA THR 93 HA THR 93 108.420 -3.814 -3.814 670 HB THR 93 HB THR 93 108.637 -3.174 -3.174 671 HG1 THR 93 HG1 THR 93 106.871 -2.415 -2.415 672 1HG2 THR 93 3HG2 THR 93 110.372 -2.446 -2.446 673 2HG2 THR 93 2HG2 THR 93 110.010 -1.181 -1.181 674 3HG2 THR 93 1HG2 THR 93 110.802 -2.667 -2.667 675 H LEU 94 H LEU 94 109.169 -5.528 -5.528 676 HA LEU 94 HA LEU 94 111.868 -6.205 -6.205 677 1HB LEU 94 2HB LEU 94 109.699 -7.568 -7.568 678 2HB LEU 94 1HB LEU 94 111.393 -8.055 -8.055 679 HG LEU 94 HG LEU 94 111.437 -5.267 -5.267 680 1HD1 LEU 94 3HD1 LEU 94 109.238 -6.573 -6.573 681 2HD1 LEU 94 2HD1 LEU 94 109.937 -4.995 -4.995 682 3HD1 LEU 94 1HD1 LEU 94 109.055 -5.246 -5.246 683 1HD2 LEU 94 2HD2 LEU 94 111.640 -7.569 -7.569 684 2HD2 LEU 94 1HD2 LEU 94 112.965 -6.782 -6.782 685 3HD2 LEU 94 3HD2 LEU 94 112.086 -5.909 -5.909 686 H VAL 95 H VAL 95 108.822 -7.960 -7.960 687 HA VAL 95 HA VAL 95 109.845 -10.338 -10.338 688 HB VAL 95 HB VAL 95 107.485 -8.602 -8.602 689 1HG1 VAL 95 3HG1 VAL 95 108.093 -11.497 -11.497 690 2HG1 VAL 95 2HG1 VAL 95 106.557 -10.691 -10.691 691 3HG1 VAL 95 1HG1 VAL 95 108.020 -10.162 -10.162 692 1HG2 VAL 95 3HG2 VAL 95 107.976 -10.751 -10.751 693 2HG2 VAL 95 2HG2 VAL 95 107.058 -9.255 -9.255 694 3HG2 VAL 95 1HG2 VAL 95 106.373 -10.618 -10.618 695 H VAL 96 H VAL 96 109.191 -7.248 -7.248 696 HA VAL 96 HA VAL 96 110.144 -8.001 -8.001 697 HB VAL 96 HB VAL 96 110.313 -5.298 -5.298 698 1HG1 VAL 96 2HG1 VAL 96 111.419 -5.694 -5.694 699 2HG1 VAL 96 1HG1 VAL 96 109.791 -5.933 -5.933 700 3HG1 VAL 96 3HG1 VAL 96 110.242 -4.383 -4.383 701 1HG2 VAL 96 3HG2 VAL 96 108.004 -6.942 -6.942 702 2HG2 VAL 96 2HG2 VAL 96 108.061 -5.480 -5.480 703 3HG2 VAL 96 1HG2 VAL 96 107.991 -5.358 -5.358 704 H LEU 97 H LEU 97 111.791 -6.548 -6.548 705 HA LEU 97 HA LEU 97 114.361 -6.155 -6.155 706 1HB LEU 97 2HB LEU 97 113.107 -6.506 -6.506 707 2HB LEU 97 1HB LEU 97 114.840 -6.824 -6.824 708 HG LEU 97 HG LEU 97 114.823 -4.551 -4.551 709 1HD1 LEU 97 2HD1 LEU 97 112.313 -4.517 -4.517 710 2HD1 LEU 97 1HD1 LEU 97 113.173 -3.025 -3.025 711 3HD1 LEU 97 3HD1 LEU 97 112.521 -4.012 -4.012 712 1HD2 LEU 97 2HD2 LEU 97 115.956 -5.165 -5.165 713 2HD2 LEU 97 1HD2 LEU 97 115.582 -3.461 -3.461 714 3HD2 LEU 97 3HD2 LEU 97 114.550 -4.445 -4.445 715 H HIS 98 H HIS 98 113.294 -8.954 -8.954 716 HA HIS 98 HA HIS 98 115.611 -10.553 -10.553 717 1HB HIS 98 2HB HIS 98 113.710 -10.654 -10.654 718 2HB HIS 98 1HB HIS 98 112.891 -11.669 -11.669 719 HD1 HIS 98 HD1 HIS 98 113.555 -13.217 -13.217 720 HD2 HIS 98 HD2 HIS 98 116.434 -12.575 -12.575 721 HE1 HIS 98 HE1 HIS 98 115.303 -15.022 -15.022 722 H ARG 99 H ARG 99 112.447 -10.266 -10.266 723 HA ARG 99 HA ARG 99 112.651 -12.516 -12.516 724 1HB ARG 99 2HB ARG 99 110.621 -11.149 -11.149 725 2HB ARG 99 1HB ARG 99 111.330 -9.822 -9.822 726 1HG ARG 99 2HG ARG 99 111.555 -11.581 -11.581 727 2HG ARG 99 1HG ARG 99 110.366 -12.499 -12.499 728 1HD ARG 99 2HD ARG 99 108.777 -11.250 -11.250 729 2HD ARG 99 1HD ARG 99 109.337 -9.884 -9.884 730 HE ARG 99 HE ARG 99 110.277 -9.012 -9.012 731 1HH1 ARG 99 1HH2 ARG 99 108.950 -11.833 -11.833 732 2HH1 ARG 99 2HH2 ARG 99 110.158 -12.212 -12.212 733 1HH2 ARG 99 2HH1 ARG 99 112.369 -9.774 -9.774 734 2HH2 ARG 99 1HH1 ARG 99 112.096 -11.052 -11.052 735 H ALA 100 H ALA 100 114.426 -9.562 -9.562 736 HA ALA 100 HA ALA 100 115.574 -10.280 -10.280 737 1HB ALA 100 1HB ALA 100 113.701 -8.372 -8.372 738 2HB ALA 100 3HB ALA 100 115.128 -7.414 -7.414 739 3HB ALA 100 2HB ALA 100 115.022 -8.239 -8.239 740 H GLY 101 H GLY 101 116.940 -10.944 -10.944 741 1HA GLY 101 2HA GLY 101 118.982 -10.677 -10.677 742 2HA GLY 101 1HA GLY 101 119.416 -9.633 -9.633 743 H ALA 102 H ALA 102 118.666 -9.743 -9.743 744 HA ALA 102 HA ALA 102 119.108 -6.835 -6.835 745 1HB ALA 102 2HB ALA 102 116.539 -8.240 -8.240 746 2HB ALA 102 1HB ALA 102 116.960 -6.610 -6.610 747 3HB ALA 102 3HB ALA 102 116.713 -6.952 -6.952 748 H ARG 103 H ARG 103 120.915 -7.337 -7.337 749 HA ARG 103 HA ARG 103 121.171 -9.300 -9.300 750 1HB ARG 103 2HB ARG 103 122.889 -7.694 -7.694 751 2HB ARG 103 1HB ARG 103 122.217 -6.456 -6.456 752 1HG ARG 103 2HG ARG 103 123.081 -7.419 -7.419 753 2HG ARG 103 1HG ARG 103 122.907 -9.059 -9.059 754 1HD ARG 103 2HD ARG 103 124.975 -7.093 -7.093 755 2HD ARG 103 1HD ARG 103 125.314 -8.309 -8.309 756 HE ARG 103 HE ARG 103 124.462 -10.012 -10.012 757 1HH1 ARG 103 2HH1 ARG 103 126.981 -7.989 -7.989 758 2HH1 ARG 103 1HH1 ARG 103 126.942 -8.017 -8.017 759 1HH2 ARG 103 1HH2 ARG 103 123.869 -9.616 -9.616 760 2HH2 ARG 103 2HH2 ARG 103 125.182 -8.944 -8.944 761 H LEU 104 H LEU 104 119.799 -9.668 -9.668 762 HA LEU 104 HA LEU 104 118.426 -7.355 -7.355 763 1HB LEU 104 2HB LEU 104 117.715 -10.001 -10.001 764 2HB LEU 104 1HB LEU 104 117.487 -9.899 -9.899 765 HG LEU 104 HG LEU 104 116.511 -7.477 -7.477 766 1HD1 LEU 104 3HD1 LEU 104 115.387 -10.052 -10.052 767 2HD1 LEU 104 2HD1 LEU 104 114.667 -8.452 -8.452 768 3HD1 LEU 104 1HD1 LEU 104 116.244 -8.803 -8.803 769 1HD2 LEU 104 3HD2 LEU 104 115.559 -9.707 -9.707 770 2HD2 LEU 104 2HD2 LEU 104 115.464 -7.965 -7.965 771 3HD2 LEU 104 1HD2 LEU 104 114.312 -8.759 -8.759 772 H ASP 105 H ASP 105 121.198 -9.072 -9.072 773 HA ASP 105 HA ASP 105 120.885 -9.151 -9.151 774 1HB ASP 105 2HB ASP 105 122.873 -10.728 -10.728 775 2HB ASP 105 1HB ASP 105 121.384 -11.313 -11.313 776 H VAL 106 H VAL 106 121.346 -6.627 -6.627 777 HA VAL 106 HA VAL 106 124.291 -6.190 -6.190 778 HB VAL 106 HB VAL 106 122.865 -5.413 -5.413 779 1HG1 VAL 106 2HG1 VAL 106 121.294 -4.317 -4.317 780 2HG1 VAL 106 1HG1 VAL 106 122.140 -2.933 -2.933 781 3HG1 VAL 106 3HG1 VAL 106 121.159 -3.974 -3.974 782 1HG2 VAL 106 1HG2 VAL 106 125.116 -4.375 -4.375 783 2HG2 VAL 106 3HG2 VAL 106 124.495 -3.902 -3.902 784 3HG2 VAL 106 2HG2 VAL 106 124.075 -2.958 -2.958 785 H ARG 107 H ARG 107 124.590 -3.808 -3.808 786 HA ARG 107 HA ARG 107 122.863 -3.587 -3.587 787 1HB ARG 107 2HB ARG 107 125.890 -3.345 -3.345 788 2HB ARG 107 1HB ARG 107 124.942 -3.183 -3.183 789 1HG ARG 107 2HG ARG 107 124.346 -5.469 -5.469 790 2HG ARG 107 1HG ARG 107 124.787 -5.685 -5.685 791 1HD ARG 107 2HD ARG 107 127.097 -5.693 -5.693 792 2HD ARG 107 1HD ARG 107 126.873 -4.886 -4.886 793 HE ARG 107 HE ARG 107 126.498 -7.018 -7.018 794 1HH1 ARG 107 1HH2 ARG 107 127.132 -7.628 -7.628 795 2HH1 ARG 107 2HH2 ARG 107 126.107 -9.016 -9.016 796 1HH2 ARG 107 2HH1 ARG 107 124.561 -8.542 -8.542 797 2HH2 ARG 107 1HH1 ARG 107 124.652 -9.536 -9.536 798 H ASP 108 H ASP 108 122.688 -1.388 -1.388 799 HA ASP 108 HA ASP 108 122.920 0.643 0.643 800 1HB ASP 108 2HB ASP 108 121.505 0.178 0.178 801 2HB ASP 108 1HB ASP 108 122.248 1.775 1.775 802 H ALA 109 H ALA 109 125.467 -0.129 -0.129 803 HA ALA 109 HA ALA 109 127.621 0.699 0.699 804 1HB ALA 109 2HB ALA 109 126.429 2.769 2.769 805 2HB ALA 109 1HB ALA 109 126.130 3.187 3.187 806 3HB ALA 109 3HB ALA 109 127.782 3.091 3.091 807 H TRP 110 H TRP 110 125.721 2.310 2.310 808 HA TRP 110 HA TRP 110 127.694 1.807 1.807 809 1HB TRP 110 2HB TRP 110 124.727 2.385 2.385 810 2HB TRP 110 1HB TRP 110 125.903 2.590 2.590 811 HD1 TRP 110 HD1 TRP 110 128.241 4.016 4.016 812 HE1 TRP 110 HE1 TRP 110 128.040 6.354 6.354 813 HE3 TRP 110 HE3 TRP 110 123.221 4.133 4.133 814 HZ2 TRP 110 HZ2 TRP 110 126.009 8.046 8.046 815 HZ3 TRP 110 HZ3 TRP 110 122.181 6.112 6.112 816 HH2 TRP 110 HH2 TRP 110 123.569 8.058 8.058 817 H GLY 111 H GLY 111 124.750 0.032 0.032 818 1HA GLY 111 2HA GLY 111 125.413 -2.520 -2.520 819 2HA GLY 111 1HA GLY 111 125.172 -1.900 -1.900 820 H ARG 112 H ARG 112 123.059 -0.012 -0.012 821 HA ARG 112 HA ARG 112 120.716 -1.342 -1.342 822 1HB ARG 112 2HB ARG 112 121.360 0.861 0.861 823 2HB ARG 112 1HB ARG 112 119.691 0.374 0.374 824 1HG ARG 112 2HG ARG 112 120.163 0.713 0.713 825 2HG ARG 112 1HG ARG 112 121.669 1.490 1.490 826 1HD ARG 112 2HD ARG 112 120.595 3.350 3.350 827 2HD ARG 112 1HD ARG 112 119.174 2.418 2.418 828 HE ARG 112 HE ARG 112 118.654 2.220 2.220 829 1HH1 ARG 112 1HH2 ARG 112 118.546 5.038 5.038 830 2HH1 ARG 112 2HH2 ARG 112 119.063 6.044 6.044 831 1HH2 ARG 112 2HH1 ARG 112 120.186 3.396 3.396 832 2HH2 ARG 112 1HH1 ARG 112 119.988 5.114 5.114 833 H LEU 113 H LEU 113 119.374 -2.835 -2.835 834 HA LEU 113 HA LEU 113 120.158 -3.780 -3.780 835 1HB LEU 113 2HB LEU 113 119.789 -5.057 -5.057 836 2HB LEU 113 1HB LEU 113 118.425 -5.553 -5.553 837 HG LEU 113 HG LEU 113 120.621 -5.673 -5.673 838 1HD1 LEU 113 3HD1 LEU 113 121.540 -5.929 -5.929 839 2HD1 LEU 113 2HD1 LEU 113 121.717 -7.480 -7.480 840 3HD1 LEU 113 1HD1 LEU 113 122.471 -6.033 -6.033 841 1HD2 LEU 113 2HD2 LEU 113 118.560 -7.331 -7.331 842 2HD2 LEU 113 1HD2 LEU 113 119.667 -7.680 -7.680 843 3HD2 LEU 113 3HD2 LEU 113 120.042 -8.236 -8.236 844 HA PRO 114 HA PRO 114 116.214 -2.610 -2.610 845 1HB PRO 114 2HB PRO 114 115.614 -4.667 -4.667 846 2HB PRO 114 1HB PRO 114 116.842 -3.436 -3.436 847 1HG PRO 114 2HG PRO 114 117.188 -6.211 -6.211 848 2HG PRO 114 1HG PRO 114 118.150 -5.320 -5.320 849 1HD PRO 114 2HD PRO 114 118.928 -5.655 -5.655 850 2HD PRO 114 1HD PRO 114 119.378 -4.234 -4.234 851 H VAL 115 H VAL 115 116.547 -5.718 -5.718 852 HA VAL 115 HA VAL 115 113.637 -6.160 -6.160 853 HB VAL 115 HB VAL 115 115.514 -7.908 -7.908 854 1HG1 VAL 115 1HG1 VAL 115 116.757 -6.763 -6.763 855 2HG1 VAL 115 3HG1 VAL 115 115.665 -7.717 -7.717 856 3HG1 VAL 115 2HG1 VAL 115 116.768 -8.521 -8.521 857 1HG2 VAL 115 1HG2 VAL 115 113.404 -8.118 -8.118 858 2HG2 VAL 115 3HG2 VAL 115 113.233 -8.574 -8.574 859 3HG2 VAL 115 2HG2 VAL 115 114.300 -9.498 -9.498 860 H ASP 116 H ASP 116 116.246 -4.930 -4.930 861 HA ASP 116 HA ASP 116 114.912 -4.968 -4.968 862 1HB ASP 116 2HB ASP 116 117.305 -4.522 -4.522 863 2HB ASP 116 1HB ASP 116 116.930 -3.042 -3.042 864 H LEU 117 H LEU 117 114.476 -2.950 -2.950 865 HA LEU 117 HA LEU 117 113.156 -0.731 -0.731 866 1HB LEU 117 2HB LEU 117 113.417 -1.732 -1.732 867 2HB LEU 117 1HB LEU 117 112.493 -0.282 -0.282 868 HG LEU 117 HG LEU 117 115.381 -0.702 -0.702 869 1HD1 LEU 117 2HD1 LEU 117 114.819 -0.528 -0.528 870 2HD1 LEU 117 1HD1 LEU 117 114.456 1.160 1.160 871 3HD1 LEU 117 3HD1 LEU 117 116.073 0.521 0.521 872 1HD2 LEU 117 2HD2 LEU 117 113.423 1.597 1.597 873 2HD2 LEU 117 1HD2 LEU 117 114.379 0.906 0.906 874 3HD2 LEU 117 3HD2 LEU 117 115.166 1.866 1.866 875 H ALA 118 H ALA 118 112.007 -3.565 -3.565 876 HA ALA 118 HA ALA 118 109.202 -2.932 -2.932 877 1HB ALA 118 3HB ALA 118 110.892 -5.327 -5.327 878 2HB ALA 118 2HB ALA 118 109.149 -5.525 -5.525 879 3HB ALA 118 1HB ALA 118 109.785 -4.423 -4.423 880 H GLU 119 H GLU 119 111.453 -4.835 -4.835 881 HA GLU 119 HA GLU 119 109.568 -6.073 -6.073 882 1HB GLU 119 2HB GLU 119 112.453 -5.362 -5.362 883 2HB GLU 119 1HB GLU 119 111.775 -5.685 -5.685 884 1HG GLU 119 2HG GLU 119 110.699 -7.760 -7.760 885 2HG GLU 119 1HG GLU 119 112.109 -7.526 -7.526 886 H GLU 120 H GLU 120 111.160 -2.893 -2.893 887 HA GLU 120 HA GLU 120 109.959 -2.145 -2.145 888 1HB GLU 120 2HB GLU 120 112.117 -1.379 -1.379 889 2HB GLU 120 1HB GLU 120 110.985 -0.056 -0.056 890 1HG GLU 120 2HG GLU 120 111.385 -1.027 -1.027 891 2HG GLU 120 1HG GLU 120 112.618 0.008 0.008 892 H LEU 121 H LEU 121 109.612 -0.875 -0.875 893 HA LEU 121 HA LEU 121 107.400 0.814 0.814 894 1HB LEU 121 2HB LEU 121 108.608 -0.716 -0.716 895 2HB LEU 121 1HB LEU 121 107.005 -0.032 -0.032 896 HG LEU 121 HG LEU 121 108.966 1.778 1.778 897 1HD1 LEU 121 3HD1 LEU 121 109.856 0.293 0.293 898 2HD1 LEU 121 2HD1 LEU 121 109.281 1.794 1.794 899 3HD1 LEU 121 1HD1 LEU 121 110.514 1.838 1.838 900 1HD2 LEU 121 3HD2 LEU 121 106.553 2.247 2.247 901 2HD2 LEU 121 2HD2 LEU 121 107.795 3.419 3.419 902 3HD2 LEU 121 1HD2 LEU 121 107.238 2.240 2.240 903 H GLY 122 H GLY 122 106.794 -2.077 -2.077 904 1HA GLY 122 2HA GLY 122 105.234 -3.672 -3.672 905 2HA GLY 122 1HA GLY 122 104.141 -2.357 -2.357 906 H HIS 123 H HIS 123 106.686 -3.781 -3.781 907 HA HIS 123 HA HIS 123 104.585 -4.434 -4.434 908 1HB HIS 123 2HB HIS 123 107.597 -4.287 -4.287 909 2HB HIS 123 1HB HIS 123 106.369 -4.170 -4.170 910 HD1 HIS 123 HD1 HIS 123 104.460 -2.111 -2.111 911 HD2 HIS 123 HD2 HIS 123 108.590 -1.708 -1.708 912 HE1 HIS 123 HE1 HIS 123 104.907 0.355 0.355 913 H ARG 124 H ARG 124 104.509 -6.236 -6.236 914 HA ARG 124 HA ARG 124 106.285 -8.360 -8.360 915 1HB ARG 124 2HB ARG 124 103.265 -8.540 -8.540 916 2HB ARG 124 1HB ARG 124 104.294 -9.668 -9.668 917 1HG ARG 124 2HG ARG 124 105.018 -7.341 -7.341 918 2HG ARG 124 1HG ARG 124 103.346 -6.966 -6.966 919 1HD ARG 124 2HD ARG 124 102.716 -8.136 -8.136 920 2HD ARG 124 1HD ARG 124 103.311 -9.603 -9.603 921 HE ARG 124 HE ARG 124 105.637 -8.684 -8.684 922 1HH1 ARG 124 1HH2 ARG 124 103.484 -6.949 -6.949 923 2HH1 ARG 124 2HH2 ARG 124 103.677 -7.703 -7.703 924 1HH2 ARG 124 2HH1 ARG 124 105.500 -10.380 -10.380 925 2HH2 ARG 124 1HH1 ARG 124 104.820 -9.647 -9.647 926 H ASP 125 H ASP 125 103.915 -7.823 -7.823 927 HA ASP 125 HA ASP 125 104.260 -10.258 -10.258 928 1HB ASP 125 2HB ASP 125 103.701 -7.439 -7.439 929 2HB ASP 125 1HB ASP 125 103.331 -8.925 -8.925 930 H VAL 126 H VAL 126 106.018 -7.157 -7.157 931 HA VAL 126 HA VAL 126 107.814 -8.165 -8.165 932 HB VAL 126 HB VAL 126 108.263 -5.680 -5.680 933 1HG1 VAL 126 1HG1 VAL 126 109.076 -6.791 -6.791 934 2HG1 VAL 126 3HG1 VAL 126 108.582 -5.099 -5.099 935 3HG1 VAL 126 2HG1 VAL 126 109.880 -5.598 -5.598 936 1HG2 VAL 126 2HG2 VAL 126 106.136 -6.135 -6.135 937 2HG2 VAL 126 1HG2 VAL 126 105.902 -5.534 -5.534 938 3HG2 VAL 126 3HG2 VAL 126 106.719 -4.531 -4.531 939 H ALA 127 H ALA 127 108.088 -7.352 -7.352 940 HA ALA 127 HA ALA 127 110.836 -7.874 -7.874 941 1HB ALA 127 2HB ALA 127 108.378 -7.694 -7.694 942 2HB ALA 127 1HB ALA 127 109.557 -8.791 -8.791 943 3HB ALA 127 3HB ALA 127 109.999 -7.117 -7.117 944 H ARG 128 H ARG 128 108.112 -10.174 -10.174 945 HA ARG 128 HA ARG 128 109.766 -12.458 -12.458 946 1HB ARG 128 2HB ARG 128 106.979 -12.033 -12.033 947 2HB ARG 128 1HB ARG 128 107.626 -13.649 -13.649 948 1HG ARG 128 2HG ARG 128 107.778 -13.311 -13.311 949 2HG ARG 128 1HG ARG 128 107.805 -11.555 -11.555 950 1HD ARG 128 2HD ARG 128 105.500 -11.401 -11.401 951 2HD ARG 128 1HD ARG 128 105.351 -13.009 -13.009 952 HE ARG 128 HE ARG 128 105.630 -12.457 -12.457 953 1HH1 ARG 128 1HH2 ARG 128 106.059 -14.774 -14.774 954 2HH1 ARG 128 2HH2 ARG 128 105.555 -16.114 -16.114 955 1HH2 ARG 128 2HH1 ARG 128 104.782 -14.183 -14.183 956 2HH2 ARG 128 1HH1 ARG 128 104.840 -15.783 -15.783 957 H TYR 129 H TYR 129 108.292 -11.354 -11.354 958 HA TYR 129 HA TYR 129 109.499 -13.455 -13.455 959 1HB TYR 129 2HB TYR 129 107.498 -12.331 -12.331 960 2HB TYR 129 1HB TYR 129 108.275 -10.752 -10.752 961 HD1 TYR 129 HD2 TYR 129 110.067 -10.111 -10.111 962 HD2 TYR 129 HD1 TYR 129 107.848 -13.767 -13.767 963 HE1 TYR 129 HE2 TYR 129 110.855 -10.325 -10.325 964 HE2 TYR 129 HE1 TYR 129 108.639 -13.981 -13.981 965 HH TYR 129 HH TYR 129 111.164 -12.036 -12.036 966 H LEU 130 H LEU 130 110.246 -9.930 -9.930 967 HA LEU 130 HA LEU 130 112.575 -10.006 -10.006 968 1HB LEU 130 2HB LEU 130 112.860 -7.813 -7.813 969 2HB LEU 130 1HB LEU 130 111.166 -8.072 -8.072 970 HG LEU 130 HG LEU 130 112.095 -8.855 -8.855 971 1HD1 LEU 130 1HD1 LEU 130 114.504 -8.297 -8.297 972 2HD1 LEU 130 3HD1 LEU 130 114.239 -6.879 -6.879 973 3HD1 LEU 130 2HD1 LEU 130 114.288 -8.484 -8.484 974 1HD2 LEU 130 1HD2 LEU 130 111.609 -6.164 -6.164 975 2HD2 LEU 130 3HD2 LEU 130 110.880 -6.937 -6.937 976 3HD2 LEU 130 2HD2 LEU 130 112.461 -6.177 -6.177 977 H ARG 131 H ARG 131 112.187 -10.824 -10.824 978 HA ARG 131 HA ARG 131 114.982 -10.911 -10.911 979 1HB ARG 131 2HB ARG 131 113.275 -10.802 -10.802 980 2HB ARG 131 1HB ARG 131 112.466 -12.233 -12.233 981 1HG ARG 131 2HG ARG 131 114.557 -13.548 -13.548 982 2HG ARG 131 1HG ARG 131 115.147 -12.110 -12.110 983 1HD ARG 131 2HD ARG 131 112.926 -12.147 -12.147 984 2HD ARG 131 1HD ARG 131 112.715 -13.787 -13.787 985 HE ARG 131 HE ARG 131 115.152 -12.980 -12.980 986 1HH1 ARG 131 2HH1 ARG 131 113.609 -15.524 -15.524 987 2HH1 ARG 131 1HH1 ARG 131 113.726 -16.636 -16.636 988 1HH2 ARG 131 1HH2 ARG 131 114.902 -14.264 -14.264 989 2HH2 ARG 131 2HH2 ARG 131 114.460 -15.925 -15.925 990 H ALA 132 H ALA 132 112.738 -13.336 -13.336 991 HA ALA 132 HA ALA 132 114.473 -15.606 -15.606 992 1HB ALA 132 2HB ALA 132 111.904 -15.139 -15.139 993 2HB ALA 132 1HB ALA 132 112.606 -15.303 -15.303 994 3HB ALA 132 3HB ALA 132 112.745 -16.624 -16.624 995 H ALA 133 H ALA 133 114.091 -13.065 -13.065 996 HA ALA 133 HA ALA 133 116.107 -14.259 -14.259 997 1HB ALA 133 3HB ALA 133 113.931 -12.316 -12.316 998 2HB ALA 133 2HB ALA 133 115.372 -11.707 -11.707 999 3HB ALA 133 1HB ALA 133 114.643 -13.226 -13.226 1000 H ALA 134 H ALA 134 115.903 -11.912 -11.912 1001 HA ALA 134 HA ALA 134 118.407 -10.541 -10.541 1002 1HB ALA 134 1HB ALA 134 116.394 -9.329 -9.329 1003 2HB ALA 134 3HB ALA 134 116.551 -10.186 -10.186 1004 3HB ALA 134 2HB ALA 134 117.805 -9.059 -9.059 1005 H GLY 135 H GLY 135 117.423 -13.180 -13.180 1006 1HA GLY 135 2HA GLY 135 120.020 -13.942 -13.942 1007 2HA GLY 135 1HA GLY 135 119.365 -12.987 -12.987 1008 H GLY 136 H GLY 136 117.311 -13.720 -13.720 1009 1HA GLY 136 2HA GLY 136 116.006 -15.413 -15.413 1010 2HA GLY 136 1HA GLY 136 115.996 -16.135 -16.135 1011 H THR 137 H THR 137 118.809 -15.561 -15.561 1012 HA THR 137 HA THR 137 120.125 -17.986 -17.986 1013 HB THR 137 HB THR 137 121.185 -16.147 -16.147 1014 HG1 THR 137 HG1 THR 137 120.826 -18.166 -18.166 1015 1HG2 THR 137 2HG2 THR 137 118.722 -16.021 -16.021 1016 2HG2 THR 137 1HG2 THR 137 119.980 -16.320 -16.320 1017 3HG2 THR 137 3HG2 THR 137 120.095 -14.923 -14.923 1018 H ARG 138 H ARG 138 119.790 -20.076 -20.076 1019 HA ARG 138 HA ARG 138 117.491 -20.610 -20.610 1020 1HB ARG 138 2HB ARG 138 119.029 -22.370 -22.370 1021 2HB ARG 138 1HB ARG 138 117.552 -22.826 -22.826 1022 1HG ARG 138 2HG ARG 138 117.262 -20.280 -20.280 1023 2HG ARG 138 1HG ARG 138 117.689 -21.596 -21.596 1024 1HD ARG 138 2HD ARG 138 115.670 -22.634 -22.634 1025 2HD ARG 138 1HD ARG 138 115.610 -22.267 -22.267 1026 HE ARG 138 HE ARG 138 115.189 -19.823 -19.823 1027 1HH1 ARG 138 2HH1 ARG 138 115.021 -20.755 -20.755 1028 2HH1 ARG 138 1HH1 ARG 138 113.308 -20.896 -20.896 1029 1HH2 ARG 138 1HH2 ARG 138 112.612 -20.856 -20.856 1030 2HH2 ARG 138 2HH2 ARG 138 111.945 -20.957 -20.957 1031 H GLY 139 H GLY 139 118.121 -20.931 -20.931 1032 1HA GLY 139 2HA GLY 139 119.514 -22.996 -22.996 1033 2HA GLY 139 1HA GLY 139 120.824 -21.895 -21.895 1034 H SER 140 H SER 140 120.906 -22.145 -22.145 1035 HA SER 140 HA SER 140 119.091 -20.125 -20.125 1036 1HB SER 140 2HB SER 140 119.926 -22.711 -22.711 1037 2HB SER 140 1HB SER 140 120.837 -21.651 -21.651 1038 HG SER 140 HG SER 140 118.896 -20.714 -20.714 1039 H ASN 141 H ASN 141 122.477 -20.933 -20.933 1040 HA ASN 141 HA ASN 141 123.255 -18.152 -18.152 1041 1HB ASN 141 2HB ASN 141 123.100 -19.746 -19.746 1042 2HB ASN 141 1HB ASN 141 124.740 -20.134 -20.134 1043 1HD2 ASN 141 1HD2 ASN 141 124.772 -18.842 -18.842 1044 2HD2 ASN 141 2HD2 ASN 141 125.145 -17.195 -17.195 1045 H HIS 142 H HIS 142 123.435 -20.256 -20.256 1046 HA HIS 142 HA HIS 142 126.273 -20.949 -20.949 1047 1HB HIS 142 2HB HIS 142 124.230 -22.177 -22.177 1048 2HB HIS 142 1HB HIS 142 124.172 -20.900 -20.900 1049 HD1 HIS 142 HD1 HIS 142 125.359 -21.571 -21.571 1050 HD2 HIS 142 HD2 HIS 142 127.173 -23.202 -23.202 1051 HE1 HIS 142 HE1 HIS 142 127.350 -22.901 -22.901 1052 H ALA 143 H ALA 143 124.077 -18.635 -18.635 1053 HA ALA 143 HA ALA 143 126.343 -17.288 -17.288 1054 1HB ALA 143 3HB ALA 143 123.333 -16.954 -16.954 1055 2HB ALA 143 2HB ALA 143 124.382 -15.860 -15.860 1056 3HB ALA 143 1HB ALA 143 124.317 -17.570 -17.570 1057 H ARG 144 H ARG 144 126.032 -14.682 -14.682 1058 HA ARG 144 HA ARG 144 126.272 -12.787 -12.787 1059 1HB ARG 144 2HB ARG 144 124.027 -14.365 -14.365 1060 2HB ARG 144 1HB ARG 144 124.829 -13.662 -13.662 1061 1HG ARG 144 2HG ARG 144 123.861 -11.683 -11.683 1062 2HG ARG 144 1HG ARG 144 124.719 -11.635 -11.635 1063 1HD ARG 144 2HD ARG 144 122.912 -12.835 -12.835 1064 2HD ARG 144 1HD ARG 144 122.079 -13.079 -13.079 1065 HE ARG 144 HE ARG 144 122.017 -10.519 -10.519 1066 1HH1 ARG 144 2HH1 ARG 144 123.588 -10.237 -10.237 1067 2HH1 ARG 144 1HH1 ARG 144 122.314 -9.858 -9.858 1068 1HH2 ARG 144 1HH2 ARG 144 119.786 -10.888 -10.888 1069 2HH2 ARG 144 2HH2 ARG 144 120.158 -10.228 -10.228 1070 H ILE 145 H ILE 145 127.682 -12.128 -12.128 1071 HA ILE 145 HA ILE 145 129.510 -14.195 -14.195 1072 HB ILE 145 HB ILE 145 130.145 -11.903 -11.903 1073 1HG1 ILE 145 2HG1 ILE 145 131.083 -11.765 -11.765 1074 2HG1 ILE 145 1HG1 ILE 145 131.197 -13.390 -13.390 1075 1HG2 ILE 145 2HG2 ILE 145 128.079 -11.090 -11.090 1076 2HG2 ILE 145 1HG2 ILE 145 129.549 -10.578 -10.578 1077 3HG2 ILE 145 3HG2 ILE 145 129.235 -10.034 -10.034 1078 1HD1 ILE 145 3HD1 ILE 145 132.176 -10.990 -10.990 1079 2HD1 ILE 145 2HD1 ILE 145 133.208 -11.817 -11.817 1080 3HD1 ILE 145 1HD1 ILE 145 132.588 -12.687 -12.687 1081 H ASP 146 H ASP 146 129.978 -14.486 -14.486 1082 HA ASP 146 HA ASP 146 127.816 -15.088 -15.088 1083 1HB ASP 146 2HB ASP 146 130.566 -14.093 -14.093 1084 2HB ASP 146 1HB ASP 146 129.488 -15.071 -15.071 1085 H ALA 147 H ALA 147 127.055 -13.962 -13.962 1086 HA ALA 147 HA ALA 147 127.564 -11.107 -11.107 1087 1HB ALA 147 2HB ALA 147 125.768 -11.893 -11.893 1088 2HB ALA 147 1HB ALA 147 124.728 -11.467 -11.467 1089 3HB ALA 147 3HB ALA 147 125.872 -10.287 -10.287 1090 H ALA 148 H ALA 148 127.926 -12.668 -12.668 1091 HA ALA 148 HA ALA 148 125.620 -13.539 -13.539 1092 1HB ALA 148 2HB ALA 148 128.397 -13.750 -13.750 1093 2HB ALA 148 1HB ALA 148 128.014 -12.798 -12.798 1094 3HB ALA 148 3HB ALA 148 127.282 -14.386 -14.386 1095 H GLU 149 H GLU 149 124.504 -12.445 -12.445 1096 HA GLU 149 HA GLU 149 124.545 -9.518 -9.518 1097 1HB GLU 149 2HB GLU 149 123.057 -11.576 -11.576 1098 2HB GLU 149 1HB GLU 149 122.694 -9.851 -9.851 1099 1HG GLU 149 2HG GLU 149 121.339 -10.207 -10.207 1100 2HG GLU 149 1HG GLU 149 122.779 -10.564 -10.564 1101 H GLY 150 H GLY 150 125.490 -8.169 -8.169 1102 1HA GLY 150 2HA GLY 150 127.256 -9.433 -9.433 1103 2HA GLY 150 1HA GLY 150 127.222 -7.718 -7.718 1104 HA PRO 151 HA PRO 151 124.033 -8.736 -8.736 1105 1HB PRO 151 2HB PRO 151 125.250 -10.046 -10.046 1106 2HB PRO 151 1HB PRO 151 124.420 -10.891 -10.891 1107 1HG PRO 151 2HG PRO 151 127.314 -10.523 -10.523 1108 2HG PRO 151 1HG PRO 151 126.455 -11.861 -11.861 1109 1HD PRO 151 2HD PRO 151 127.848 -9.846 -9.846 1110 2HD PRO 151 1HD PRO 151 126.652 -10.935 -10.935 1111 H SER 152 H SER 152 126.965 -7.247 -7.247 1112 HA SER 152 HA SER 152 126.757 -5.883 -5.883 1113 1HB SER 152 2HB SER 152 129.163 -5.721 -5.721 1114 2HB SER 152 1HB SER 152 129.078 -5.754 -5.754 1115 HG SER 152 HG SER 152 129.110 -7.865 -7.865 1116 H ASP 153 H ASP 153 126.372 -5.486 -5.486 1117 HA ASP 153 HA ASP 153 127.136 -2.875 -2.875 1118 1HB ASP 153 2HB ASP 153 126.058 -4.564 -4.564 1119 2HB ASP 153 1HB ASP 153 124.518 -4.244 -4.244 1120 H ILE 154 H ILE 154 126.141 -0.801 -0.801 1121 HA ILE 154 HA ILE 154 124.102 -0.694 -0.694 1122 HB ILE 154 HB ILE 154 126.167 1.370 1.370 1123 1HG1 ILE 154 2HG1 ILE 154 126.263 -0.908 -0.908 1124 2HG1 ILE 154 1HG1 ILE 154 127.437 -0.497 -0.497 1125 1HG2 ILE 154 1HG2 ILE 154 123.928 1.772 1.772 1126 2HG2 ILE 154 3HG2 ILE 154 124.970 1.183 1.183 1127 3HG2 ILE 154 2HG2 ILE 154 125.437 2.609 2.609 1128 1HD1 ILE 154 2HD1 ILE 154 127.349 1.809 1.809 1129 2HD1 ILE 154 1HD1 ILE 154 127.185 0.535 0.535 1130 3HD1 ILE 154 3HD1 ILE 154 128.577 0.550 0.550 1131 HA PRO 155 HA PRO 155 121.782 1.158 1.158 1132 1HB PRO 155 2HB PRO 155 119.342 0.974 0.974 1133 2HB PRO 155 1HB PRO 155 120.102 -0.393 -0.393 1134 1HG PRO 155 2HG PRO 155 119.925 0.186 0.186 1135 2HG PRO 155 1HG PRO 155 119.870 -1.365 -1.365 1136 1HD PRO 155 2HD PRO 155 122.075 -0.400 -0.400 1137 2HD PRO 155 1HD PRO 155 122.135 -1.591 -1.591 1138 H ASP 156 HN ASP 156 122.149 3.361 3.361 1139 HA ASP 156 HA ASP 156 121.710 4.999 4.999 1140 1HB ASP 156 2HB ASP 156 123.069 5.142 5.142 1141 2HB ASP 156 1HB ASP 156 122.281 6.656 6.656 Start of MODEL 12 1 1H MET 1 3H MET 1 118.553 34.338 34.338 2 2H MET 1 2H MET 1 117.717 32.976 32.976 3 3H MET 1 1H MET 1 118.992 33.643 33.643 4 HA MET 1 HA MET 1 120.593 32.996 32.996 5 1HB MET 1 2HB MET 1 118.681 31.136 31.136 6 2HB MET 1 1HB MET 1 119.810 30.423 30.423 7 1HG MET 1 2HG MET 1 121.332 32.232 32.232 8 2HG MET 1 1HG MET 1 120.315 31.355 31.355 9 1HE MET 1 1HE MET 1 123.351 31.523 31.523 10 2HE MET 1 3HE MET 1 122.886 30.350 30.350 11 3HE MET 1 2HE MET 1 124.062 29.910 29.910 12 H GLU 2 H GLU 2 120.856 31.423 31.423 13 HA GLU 2 HA GLU 2 118.689 31.943 31.943 14 1HB GLU 2 2HB GLU 2 121.668 31.600 31.600 15 2HB GLU 2 1HB GLU 2 120.763 31.193 31.193 16 1HG GLU 2 2HG GLU 2 119.892 33.396 33.396 17 2HG GLU 2 1HG GLU 2 120.370 33.820 33.820 18 HA PRO 3 HA PRO 3 117.832 27.637 27.637 19 1HB PRO 3 2HB PRO 3 117.268 27.362 27.362 20 2HB PRO 3 1HB PRO 3 116.178 28.181 28.181 21 1HG PRO 3 2HG PRO 3 118.076 29.339 29.339 22 2HG PRO 3 1HG PRO 3 116.471 29.902 29.902 23 1HD PRO 3 2HD PRO 3 118.823 30.995 30.995 24 2HD PRO 3 1HD PRO 3 117.285 31.074 31.074 25 H ALA 4 H ALA 4 120.240 27.221 27.221 26 HA ALA 4 HA ALA 4 122.208 26.021 26.021 27 1HB ALA 4 2HB ALA 4 120.206 24.618 24.618 28 2HB ALA 4 1HB ALA 4 120.833 25.139 25.139 29 3HB ALA 4 3HB ALA 4 121.853 24.201 24.201 30 H ALA 5 H ALA 5 123.879 27.362 27.362 31 HA ALA 5 HA ALA 5 123.782 29.129 29.129 32 1HB ALA 5 1HB ALA 5 125.272 28.794 28.794 33 2HB ALA 5 3HB ALA 5 126.432 28.515 28.515 34 3HB ALA 5 2HB ALA 5 125.533 30.031 30.031 35 H GLY 6 H GLY 6 124.681 25.807 25.807 36 1HA GLY 6 2HA GLY 6 126.627 25.514 25.514 37 2HA GLY 6 1HA GLY 6 125.571 24.224 24.224 38 H SER 7 H SER 7 126.432 25.328 25.328 39 HA SER 7 HA SER 7 123.730 25.831 25.831 40 1HB SER 7 2HB SER 7 125.015 26.605 26.605 41 2HB SER 7 1HB SER 7 125.702 27.317 27.317 42 HG SER 7 HG SER 7 126.923 25.853 25.853 43 H SER 8 H SER 8 124.363 23.158 23.158 44 HA SER 8 HA SER 8 123.856 21.662 21.662 45 1HB SER 8 2HB SER 8 125.908 20.171 20.171 46 2HB SER 8 1HB SER 8 126.200 21.698 21.698 47 HG SER 8 HG SER 8 127.495 21.930 21.930 48 H MET 9 H MET 9 123.463 19.314 19.314 49 HA MET 9 HA MET 9 122.377 17.664 17.664 50 1HB MET 9 2HB MET 9 124.563 18.831 18.831 51 2HB MET 9 1HB MET 9 123.277 18.340 18.340 52 1HG MET 9 2HG MET 9 123.352 16.191 16.191 53 2HG MET 9 1HG MET 9 125.046 16.682 16.682 54 1HE MET 9 1HE MET 9 126.490 17.055 17.055 55 2HE MET 9 3HE MET 9 125.256 18.110 18.110 56 3HE MET 9 2HE MET 9 125.956 16.812 16.812 57 H GLU 10 H GLU 10 120.191 18.187 18.187 58 HA GLU 10 HA GLU 10 119.225 20.311 20.311 59 1HB GLU 10 2HB GLU 10 117.874 18.810 18.810 60 2HB GLU 10 1HB GLU 10 117.199 20.193 20.193 61 1HG GLU 10 2HG GLU 10 118.859 21.671 21.671 62 2HG GLU 10 1HG GLU 10 119.859 20.336 20.336 63 HA PRO 11 HA PRO 11 117.387 17.310 17.310 64 1HB PRO 11 2HB PRO 11 115.100 18.575 18.575 65 2HB PRO 11 1HB PRO 11 116.715 19.064 19.064 66 1HG PRO 11 2HG PRO 11 114.960 20.299 20.299 67 2HG PRO 11 1HG PRO 11 116.080 21.059 21.059 68 1HD PRO 11 2HD PRO 11 116.600 20.639 20.639 69 2HD PRO 11 1HD PRO 11 117.841 20.875 20.875 70 H SER 12 H SER 12 116.383 15.440 15.440 71 HA SER 12 HA SER 12 113.659 15.408 15.408 72 1HB SER 12 2HB SER 12 114.487 16.161 16.161 73 2HB SER 12 1HB SER 12 116.015 15.309 15.309 74 HG SER 12 HG SER 12 113.498 14.034 14.034 75 H ALA 13 H ALA 13 116.731 13.577 13.577 76 HA ALA 13 HA ALA 13 115.503 10.978 10.978 77 1HB ALA 13 1HB ALA 13 118.134 12.207 12.207 78 2HB ALA 13 3HB ALA 13 118.143 10.822 10.822 79 3HB ALA 13 2HB ALA 13 117.623 10.624 10.624 80 H ASP 14 H ASP 14 116.154 13.348 13.348 81 HA ASP 14 HA ASP 14 116.268 11.401 11.401 82 1HB ASP 14 2HB ASP 14 116.148 14.433 14.433 83 2HB ASP 14 1HB ASP 14 116.587 13.435 13.435 84 H TRP 15 H TRP 15 113.767 12.228 12.228 85 HA TRP 15 HA TRP 15 111.842 13.115 13.115 86 1HB TRP 15 2HB TRP 15 111.969 12.651 12.651 87 2HB TRP 15 1HB TRP 15 110.387 12.437 12.437 88 HD1 TRP 15 HD1 TRP 15 112.585 14.938 14.938 89 HE1 TRP 15 HE1 TRP 15 111.739 17.324 17.324 90 HE3 TRP 15 HE3 TRP 15 109.191 13.936 13.936 91 HZ2 TRP 15 HZ2 TRP 15 109.872 18.635 18.635 92 HZ3 TRP 15 HZ3 TRP 15 107.896 15.771 15.771 93 HH2 TRP 15 HH2 TRP 15 108.232 18.116 18.116 94 H LEU 16 H LEU 16 112.882 10.110 10.110 95 HA LEU 16 HA LEU 16 110.624 8.469 8.469 96 1HB LEU 16 2HB LEU 16 112.303 6.640 6.640 97 2HB LEU 16 1HB LEU 16 112.446 7.831 7.831 98 HG LEU 16 HG LEU 16 114.150 8.932 8.932 99 1HD1 LEU 16 3HD1 LEU 16 113.649 6.230 6.230 100 2HD1 LEU 16 2HD1 LEU 16 115.352 6.475 6.475 101 3HD1 LEU 16 1HD1 LEU 16 114.545 7.541 7.541 102 1HD2 LEU 16 3HD2 LEU 16 114.756 6.633 6.633 103 2HD2 LEU 16 2HD2 LEU 16 114.686 8.342 8.342 104 3HD2 LEU 16 1HD2 LEU 16 115.959 7.754 7.754 105 H ALA 17 H ALA 17 113.384 9.581 9.581 106 HA ALA 17 HA ALA 17 112.813 7.848 7.848 107 1HB ALA 17 2HB ALA 17 114.822 9.746 9.746 108 2HB ALA 17 1HB ALA 17 114.455 9.985 9.985 109 3HB ALA 17 3HB ALA 17 115.001 8.409 8.409 110 H THR 18 H THR 18 112.503 11.346 11.346 111 HA THR 18 HA THR 18 111.259 12.084 12.084 112 HB THR 18 HB THR 18 110.313 13.810 13.810 113 HG1 THR 18 HG1 THR 18 112.172 14.023 14.023 114 1HG2 THR 18 3HG2 THR 18 112.951 13.772 13.772 115 2HG2 THR 18 2HG2 THR 18 112.313 15.180 15.180 116 3HG2 THR 18 1HG2 THR 18 111.448 14.519 14.519 117 H ALA 19 H ALA 19 109.905 11.051 11.051 118 HA ALA 19 HA ALA 19 107.150 11.455 11.455 119 1HB ALA 19 2HB ALA 19 108.811 9.539 9.539 120 2HB ALA 19 1HB ALA 19 107.060 9.332 9.332 121 3HB ALA 19 3HB ALA 19 107.752 10.834 10.834 122 H ALA 20 H ALA 20 109.091 8.487 8.487 123 HA ALA 20 HA ALA 20 107.063 6.946 6.946 124 1HB ALA 20 3HB ALA 20 110.056 7.056 7.056 125 2HB ALA 20 2HB ALA 20 109.286 6.005 6.005 126 3HB ALA 20 1HB ALA 20 108.981 5.766 5.766 127 H ALA 21 H ALA 21 109.208 9.451 9.451 128 HA ALA 21 HA ALA 21 108.896 9.006 9.006 129 1HB ALA 21 3HB ALA 21 110.193 10.763 10.763 130 2HB ALA 21 2HB ALA 21 108.976 11.807 11.807 131 3HB ALA 21 1HB ALA 21 110.116 10.931 10.931 132 H ARG 22 H ARG 22 106.817 10.728 10.728 133 HA ARG 22 HA ARG 22 104.967 11.535 11.535 134 1HB ARG 22 2HB ARG 22 105.119 12.034 12.034 135 2HB ARG 22 1HB ARG 22 103.857 12.701 12.701 136 1HG ARG 22 2HG ARG 22 105.829 13.578 13.578 137 2HG ARG 22 1HG ARG 22 106.811 13.289 13.289 138 1HD ARG 22 2HD ARG 22 105.786 14.980 14.980 139 2HD ARG 22 1HD ARG 22 104.245 14.800 14.800 140 HE ARG 22 HE ARG 22 105.799 15.640 15.640 141 1HH1 ARG 22 1HH2 ARG 22 104.124 17.714 17.714 142 2HH1 ARG 22 2HH2 ARG 22 105.278 18.877 18.877 143 1HH2 ARG 22 2HH1 ARG 22 107.966 16.691 16.691 144 2HH2 ARG 22 1HH1 ARG 22 107.456 18.297 18.297 145 H GLY 23 H GLY 23 105.377 8.656 8.656 146 1HA GLY 23 2HA GLY 23 104.049 6.787 6.787 147 2HA GLY 23 1HA GLY 23 102.745 7.724 7.724 148 H ARG 24 H ARG 24 104.575 8.398 8.398 149 HA ARG 24 HA ARG 24 101.967 8.473 8.473 150 1HB ARG 24 2HB ARG 24 104.034 10.282 10.282 151 2HB ARG 24 1HB ARG 24 104.419 9.493 9.493 152 1HG ARG 24 2HG ARG 24 102.986 11.228 11.228 153 2HG ARG 24 1HG ARG 24 101.891 9.851 9.851 154 1HD ARG 24 2HD ARG 24 102.050 11.029 11.029 155 2HD ARG 24 1HD ARG 24 101.758 12.334 12.334 156 HE ARG 24 HE ARG 24 100.007 10.511 10.511 157 1HH1 ARG 24 1HH2 ARG 24 99.897 12.601 12.601 158 2HH1 ARG 24 2HH2 ARG 24 98.723 11.739 11.739 159 1HH2 ARG 24 2HH1 ARG 24 98.878 8.875 8.875 160 2HH2 ARG 24 1HH1 ARG 24 98.146 9.631 9.631 161 H VAL 25 H VAL 25 102.359 5.956 5.956 162 HA VAL 25 HA VAL 25 104.347 4.567 4.567 163 HB VAL 25 HB VAL 25 101.362 4.036 4.036 164 1HG1 VAL 25 1HG1 VAL 25 103.707 2.335 2.335 165 2HG1 VAL 25 3HG1 VAL 25 102.295 1.600 1.600 166 3HG1 VAL 25 2HG1 VAL 25 102.121 2.479 2.479 167 1HG2 VAL 25 1HG2 VAL 25 103.616 3.911 3.911 168 2HG2 VAL 25 3HG2 VAL 25 101.882 3.953 3.953 169 3HG2 VAL 25 2HG2 VAL 25 102.668 2.424 2.424 170 H GLU 26 H GLU 26 101.594 6.376 6.376 171 HA GLU 26 HA GLU 26 101.749 5.326 5.326 172 1HB GLU 26 2HB GLU 26 100.587 7.872 7.872 173 2HB GLU 26 1HB GLU 26 100.245 7.261 7.261 174 1HG GLU 26 2HG GLU 26 99.179 5.299 5.299 175 2HG GLU 26 1HG GLU 26 99.757 5.629 5.629 176 H GLU 27 H GLU 27 103.092 8.211 8.211 177 HA GLU 27 HA GLU 27 104.166 9.450 9.450 178 1HB GLU 27 2HB GLU 27 103.814 10.116 10.116 179 2HB GLU 27 1HB GLU 27 105.542 9.764 9.764 180 1HG GLU 27 2HG GLU 27 105.585 11.999 11.999 181 2HG GLU 27 1HG GLU 27 105.521 11.238 11.238 182 H VAL 28 H VAL 28 105.399 6.973 6.973 183 HA VAL 28 HA VAL 28 108.096 7.036 7.036 184 HB VAL 28 HB VAL 28 106.837 4.941 4.941 185 1HG1 VAL 28 3HG1 VAL 28 109.394 5.234 5.234 186 2HG1 VAL 28 2HG1 VAL 28 109.576 5.754 5.754 187 3HG1 VAL 28 1HG1 VAL 28 108.945 4.147 4.147 188 1HG2 VAL 28 2HG2 VAL 28 108.060 7.622 7.622 189 2HG2 VAL 28 1HG2 VAL 28 106.387 7.135 7.135 190 3HG2 VAL 28 3HG2 VAL 28 107.680 6.347 6.347 191 H ARG 29 H ARG 29 105.308 4.778 4.778 192 HA ARG 29 HA ARG 29 106.323 2.698 2.698 193 1HB ARG 29 2HB ARG 29 103.794 3.742 3.742 194 2HB ARG 29 1HB ARG 29 103.669 3.362 3.362 195 1HG ARG 29 2HG ARG 29 103.307 1.230 1.230 196 2HG ARG 29 1HG ARG 29 105.041 1.178 1.178 197 1HD ARG 29 2HD ARG 29 104.767 1.434 1.434 198 2HD ARG 29 1HD ARG 29 103.226 2.295 2.295 199 HE ARG 29 HE ARG 29 103.579 -0.651 -0.651 200 1HH1 ARG 29 1HH2 ARG 29 101.470 1.929 1.929 201 2HH1 ARG 29 2HH2 ARG 29 100.077 1.161 1.161 202 1HH2 ARG 29 2HH1 ARG 29 101.845 -1.551 -1.551 203 2HH2 ARG 29 1HH1 ARG 29 100.289 -0.805 -0.805 204 H ALA 30 H ALA 30 104.831 5.734 5.734 205 HA ALA 30 HA ALA 30 105.344 5.146 5.146 206 1HB ALA 30 1HB ALA 30 103.591 6.684 6.684 207 2HB ALA 30 3HB ALA 30 104.900 7.860 7.860 208 3HB ALA 30 2HB ALA 30 104.375 7.289 7.289 209 H LEU 31 H LEU 31 106.996 6.982 6.982 210 HA LEU 31 HA LEU 31 108.956 8.327 8.327 211 1HB LEU 31 2HB LEU 31 108.478 7.516 7.516 212 2HB LEU 31 1HB LEU 31 110.190 7.647 7.647 213 HG LEU 31 HG LEU 31 108.191 9.811 9.811 214 1HD1 LEU 31 2HD1 LEU 31 108.450 9.242 9.242 215 2HD1 LEU 31 1HD1 LEU 31 110.082 9.889 9.889 216 3HD1 LEU 31 3HD1 LEU 31 108.688 10.919 10.919 217 1HD2 LEU 31 1HD2 LEU 31 110.676 9.429 9.429 218 2HD2 LEU 31 3HD2 LEU 31 110.020 11.038 11.038 219 3HD2 LEU 31 2HD2 LEU 31 111.088 10.287 10.287 220 H LEU 32 H LEU 32 109.500 5.378 5.378 221 HA LEU 32 HA LEU 32 111.962 4.581 4.581 222 1HB LEU 32 2HB LEU 32 109.585 3.213 3.213 223 2HB LEU 32 1HB LEU 32 110.929 2.237 2.237 224 HG LEU 32 HG LEU 32 111.677 4.589 4.589 225 1HD1 LEU 32 2HD1 LEU 32 109.572 3.380 3.380 226 2HD1 LEU 32 1HD1 LEU 32 110.747 2.130 2.130 227 3HD1 LEU 32 3HD1 LEU 32 110.949 3.769 3.769 228 1HD2 LEU 32 3HD2 LEU 32 112.920 2.325 2.325 229 2HD2 LEU 32 2HD2 LEU 32 113.542 3.349 3.349 230 3HD2 LEU 32 1HD2 LEU 32 112.614 1.902 1.902 231 H GLU 33 H GLU 33 108.695 4.048 4.048 232 HA GLU 33 HA GLU 33 109.489 2.230 2.230 233 1HB GLU 33 2HB GLU 33 107.124 3.546 3.546 234 2HB GLU 33 1HB GLU 33 107.143 3.632 3.632 235 1HG GLU 33 2HG GLU 33 107.706 1.052 1.052 236 2HG GLU 33 1HG GLU 33 106.065 1.544 1.544 237 H ALA 34 H ALA 34 109.641 5.680 5.680 238 HA ALA 34 HA ALA 34 109.846 6.209 6.209 239 1HB ALA 34 1HB ALA 34 109.952 7.880 7.880 240 2HB ALA 34 3HB ALA 34 110.148 8.568 8.568 241 3HB ALA 34 2HB ALA 34 108.632 7.783 7.783 242 H GLY 35 H GLY 35 111.923 5.263 5.263 243 1HA GLY 35 2HA GLY 35 114.242 4.700 4.700 244 2HA GLY 35 1HA GLY 35 114.274 6.275 6.275 245 H ALA 36 H ALA 36 112.827 5.880 5.880 246 HA ALA 36 HA ALA 36 114.321 7.978 7.978 247 1HB ALA 36 2HB ALA 36 112.159 6.593 6.593 248 2HB ALA 36 1HB ALA 36 113.318 5.633 5.633 249 3HB ALA 36 3HB ALA 36 113.143 7.356 7.356 250 H LEU 37 H LEU 37 116.144 7.893 7.893 251 HA LEU 37 HA LEU 37 118.172 5.934 5.934 252 1HB LEU 37 2HB LEU 37 117.868 8.445 8.445 253 2HB LEU 37 1HB LEU 37 118.939 7.342 7.342 254 HG LEU 37 HG LEU 37 120.284 7.038 7.038 255 1HD1 LEU 37 1HD1 LEU 37 118.015 7.902 7.902 256 2HD1 LEU 37 3HD1 LEU 37 119.084 9.299 9.299 257 3HD1 LEU 37 2HD1 LEU 37 119.612 7.730 7.730 258 1HD2 LEU 37 3HD2 LEU 37 120.436 9.101 9.101 259 2HD2 LEU 37 2HD2 LEU 37 121.456 9.025 9.025 260 3HD2 LEU 37 1HD2 LEU 37 119.993 10.010 10.010 261 HA PRO 38 HA PRO 38 116.945 2.940 2.940 262 1HB PRO 38 2HB PRO 38 119.223 1.420 1.420 263 2HB PRO 38 1HB PRO 38 118.003 1.346 1.346 264 1HG PRO 38 2HG PRO 38 120.604 2.797 2.797 265 2HG PRO 38 1HG PRO 38 119.847 1.892 1.892 266 1HD PRO 38 2HD PRO 38 119.800 4.600 4.600 267 2HD PRO 38 1HD PRO 38 118.499 3.649 3.649 268 H ASN 39 H ASN 39 120.017 4.667 4.667 269 HA ASN 39 HA ASN 39 119.799 4.732 4.732 270 1HB ASN 39 2HB ASN 39 121.851 3.518 3.518 271 2HB ASN 39 1HB ASN 39 122.505 4.561 4.561 272 1HD2 ASN 39 1HD2 ASN 39 120.095 1.902 1.902 273 2HD2 ASN 39 2HD2 ASN 39 120.400 1.208 1.208 274 H ALA 40 H ALA 40 118.930 6.906 6.906 275 HA ALA 40 HA ALA 40 120.931 8.783 8.783 276 1HB ALA 40 2HB ALA 40 118.399 8.708 8.708 277 2HB ALA 40 1HB ALA 40 118.223 9.390 9.390 278 3HB ALA 40 3HB ALA 40 119.076 10.294 10.294 279 HA PRO 41 HA PRO 41 122.423 10.314 10.314 280 1HB PRO 41 2HB PRO 41 122.847 12.953 12.953 281 2HB PRO 41 1HB PRO 41 123.877 11.648 11.648 282 1HG PRO 41 2HG PRO 41 121.712 13.159 13.159 283 2HG PRO 41 1HG PRO 41 123.244 12.550 12.550 284 1HD PRO 41 2HD PRO 41 120.819 11.339 11.339 285 2HD PRO 41 1HD PRO 41 122.380 10.491 10.491 286 H ASN 42 H ASN 42 121.213 10.698 10.698 287 HA ASN 42 HA ASN 42 118.828 12.497 12.497 288 1HB ASN 42 2HB ASN 42 118.061 11.192 11.192 289 2HB ASN 42 1HB ASN 42 118.393 10.160 10.160 290 1HD2 ASN 42 1HD2 ASN 42 119.707 8.383 8.383 291 2HD2 ASN 42 2HD2 ASN 42 120.790 8.278 8.278 292 H SER 43 H SER 43 118.417 13.931 13.931 293 HA SER 43 HA SER 43 120.941 14.974 14.974 294 1HB SER 43 2HB SER 43 118.131 15.956 15.956 295 2HB SER 43 1HB SER 43 119.179 16.788 16.788 296 HG SER 43 HG SER 43 119.766 16.230 16.230 297 H TYR 44 H TYR 44 119.558 12.464 12.464 298 HA TYR 44 HA TYR 44 119.300 13.326 13.326 299 1HB TYR 44 2HB TYR 44 117.591 11.137 11.137 300 2HB TYR 44 1HB TYR 44 117.281 12.159 12.159 301 HD1 TYR 44 HD1 TYR 44 117.177 14.787 14.787 302 HD2 TYR 44 HD2 TYR 44 116.371 11.566 11.566 303 HE1 TYR 44 HE1 TYR 44 115.842 16.322 16.322 304 HE2 TYR 44 HE2 TYR 44 115.037 13.099 13.099 305 HH TYR 44 HH TYR 44 115.114 16.470 16.470 306 H GLY 45 H GLY 45 121.214 11.703 11.703 307 1HA GLY 45 2HA GLY 45 122.619 9.840 9.840 308 2HA GLY 45 1HA GLY 45 122.437 10.053 10.053 309 H ARG 46 H ARG 46 119.651 9.493 9.493 310 HA ARG 46 HA ARG 46 119.499 6.670 6.670 311 1HB ARG 46 2HB ARG 46 118.060 8.830 8.830 312 2HB ARG 46 1HB ARG 46 116.978 8.167 8.167 313 1HG ARG 46 2HG ARG 46 116.327 6.728 6.728 314 2HG ARG 46 1HG ARG 46 117.840 5.891 5.891 315 1HD ARG 46 2HD ARG 46 117.672 6.334 6.334 316 2HD ARG 46 1HD ARG 46 118.970 7.329 7.329 317 HE ARG 46 HE ARG 46 116.634 8.863 8.863 318 1HH1 ARG 46 2HH1 ARG 46 119.105 8.115 8.115 319 2HH1 ARG 46 1HH1 ARG 46 118.399 8.963 8.963 320 1HH2 ARG 46 1HH2 ARG 46 115.433 9.653 9.653 321 2HH2 ARG 46 2HH2 ARG 46 116.322 9.835 9.835 322 H ARG 47 H ARG 47 119.751 5.544 5.544 323 HA ARG 47 HA ARG 47 119.112 6.336 6.336 324 1HB ARG 47 2HB ARG 47 119.872 3.978 3.978 325 2HB ARG 47 1HB ARG 47 118.739 3.546 3.546 326 1HG ARG 47 2HG ARG 47 120.945 3.440 3.440 327 2HG ARG 47 1HG ARG 47 120.178 4.895 4.895 328 1HD ARG 47 2HD ARG 47 121.362 6.287 6.287 329 2HD ARG 47 1HD ARG 47 122.057 4.846 4.846 330 HE ARG 47 HE ARG 47 122.570 5.468 5.468 331 1HH1 ARG 47 1HH2 ARG 47 124.389 6.590 6.590 332 2HH1 ARG 47 2HH2 ARG 47 125.664 5.418 5.418 333 1HH2 ARG 47 2HH1 ARG 47 123.857 3.069 3.069 334 2HH2 ARG 47 1HH1 ARG 47 125.362 3.425 3.425 335 HA PRO 48 HA PRO 48 114.782 5.736 5.736 336 1HB PRO 48 2HB PRO 48 114.428 3.602 3.602 337 2HB PRO 48 1HB PRO 48 115.002 5.195 5.195 338 1HG PRO 48 2HG PRO 48 116.574 2.735 2.735 339 2HG PRO 48 1HG PRO 48 116.750 3.863 3.863 340 1HD PRO 48 2HD PRO 48 118.377 3.966 3.966 341 2HD PRO 48 1HD PRO 48 117.855 5.445 5.445 342 H ILE 49 H ILE 49 112.888 4.323 4.323 343 HA ILE 49 HA ILE 49 111.779 2.741 2.741 344 HB ILE 49 HB ILE 49 114.436 1.270 1.270 345 1HG1 ILE 49 2HG1 ILE 49 112.102 1.422 1.422 346 2HG1 ILE 49 1HG1 ILE 49 113.815 1.629 1.629 347 1HG2 ILE 49 2HG2 ILE 49 112.417 0.687 0.687 348 2HG2 ILE 49 1HG2 ILE 49 111.739 -0.022 -0.022 349 3HG2 ILE 49 3HG2 ILE 49 113.289 -0.589 -0.589 350 1HD1 ILE 49 3HD1 ILE 49 114.158 -0.786 -0.786 351 2HD1 ILE 49 2HD1 ILE 49 112.404 -0.945 -0.945 352 3HD1 ILE 49 1HD1 ILE 49 113.160 -0.559 -0.559 353 H GLN 50 H GLN 50 115.199 2.871 2.871 354 HA GLN 50 HA GLN 50 114.733 2.731 2.731 355 1HB GLN 50 2HB GLN 50 116.873 2.888 2.888 356 2HB GLN 50 1HB GLN 50 116.804 4.586 4.586 357 1HG GLN 50 2HG GLN 50 117.127 4.092 4.092 358 2HG GLN 50 1HG GLN 50 116.643 2.407 2.407 359 1HE2 GLN 50 1HE2 GLN 50 119.010 4.384 4.384 360 2HE2 GLN 50 2HE2 GLN 50 120.320 3.338 3.338 361 H VAL 51 H VAL 51 114.073 5.325 5.325 362 HA VAL 51 HA VAL 51 113.493 7.178 7.178 363 HB VAL 51 HB VAL 51 115.240 7.888 7.888 364 1HG1 VAL 51 1HG1 VAL 51 112.985 7.583 7.583 365 2HG1 VAL 51 3HG1 VAL 51 114.494 8.428 8.428 366 3HG1 VAL 51 2HG1 VAL 51 114.510 6.701 6.701 367 1HG2 VAL 51 2HG2 VAL 51 113.274 9.411 9.411 368 2HG2 VAL 51 1HG2 VAL 51 114.505 10.071 10.071 369 3HG2 VAL 51 3HG2 VAL 51 112.922 9.625 9.625 370 H MET 52 H MET 52 112.005 5.206 5.206 371 HA MET 52 HA MET 52 109.822 6.777 6.777 372 1HB MET 52 2HB MET 52 108.804 4.658 4.658 373 2HB MET 52 1HB MET 52 110.540 4.444 4.444 374 1HG MET 52 2HG MET 52 110.648 2.917 2.917 375 2HG MET 52 1HG MET 52 109.587 3.849 3.849 376 1HE MET 52 2HE MET 52 110.169 0.778 0.778 377 2HE MET 52 1HE MET 52 109.096 0.705 0.705 378 3HE MET 52 3HE MET 52 108.620 -0.049 -0.049 379 H MET 53 H MET 53 107.515 6.590 6.590 380 HA MET 53 HA MET 53 107.214 7.531 7.531 381 1HB MET 53 2HB MET 53 105.655 7.247 7.247 382 2HB MET 53 1HB MET 53 105.032 5.909 5.909 383 1HG MET 53 2HG MET 53 105.394 8.325 8.325 384 2HG MET 53 1HG MET 53 104.298 8.592 8.592 385 1HE MET 53 2HE MET 53 103.174 6.488 6.488 386 2HE MET 53 1HE MET 53 102.545 5.182 5.182 387 3HE MET 53 3HE MET 53 101.614 6.672 6.672 388 H MET 54 H MET 54 107.744 4.292 4.292 389 HA MET 54 HA MET 54 107.927 2.260 2.260 390 1HB MET 54 2HB MET 54 108.564 4.415 4.415 391 2HB MET 54 1HB MET 54 107.711 3.161 3.161 392 1HG MET 54 2HG MET 54 110.011 2.545 2.545 393 2HG MET 54 1HG MET 54 109.291 1.488 1.488 394 1HE MET 54 3HE MET 54 110.381 0.819 0.819 395 2HE MET 54 2HE MET 54 111.161 1.661 1.661 396 3HE MET 54 1HE MET 54 112.098 1.230 1.230 397 H GLY 55 H GLY 55 105.219 3.937 3.937 398 1HA GLY 55 2HA GLY 55 103.618 2.153 2.153 399 2HA GLY 55 1HA GLY 55 103.072 3.746 3.746 400 H SER 56 H SER 56 104.815 1.903 1.903 401 HA SER 56 HA SER 56 102.428 0.659 0.659 402 1HB SER 56 2HB SER 56 103.606 3.246 3.246 403 2HB SER 56 1HB SER 56 103.460 2.129 2.129 404 HG SER 56 HG SER 56 101.578 3.513 3.513 405 H ALA 57 H ALA 57 103.598 -1.331 -1.331 406 HA ALA 57 HA ALA 57 106.325 -1.734 -1.734 407 1HB ALA 57 3HB ALA 57 103.819 -3.415 -3.415 408 2HB ALA 57 2HB ALA 57 105.347 -4.105 -4.105 409 3HB ALA 57 1HB ALA 57 105.201 -3.470 -3.470 410 H ARG 58 H ARG 58 103.505 -1.131 -1.131 411 HA ARG 58 HA ARG 58 104.199 -2.319 -2.319 412 1HB ARG 58 2HB ARG 58 102.873 0.359 0.359 413 2HB ARG 58 1HB ARG 58 102.697 -0.603 -0.603 414 1HG ARG 58 2HG ARG 58 101.903 -2.492 -2.492 415 2HG ARG 58 1HG ARG 58 101.652 -1.181 -1.181 416 1HD ARG 58 2HD ARG 58 100.385 -0.050 -0.050 417 2HD ARG 58 1HD ARG 58 100.196 -1.741 -1.741 418 HE ARG 58 HE ARG 58 99.391 -0.781 -0.781 419 1HH1 ARG 58 2HH1 ARG 58 97.652 -1.195 -1.195 420 2HH1 ARG 58 1HH1 ARG 58 96.807 -2.633 -2.633 421 1HH2 ARG 58 1HH2 ARG 58 98.872 -3.285 -3.285 422 2HH2 ARG 58 2HH2 ARG 58 97.498 -3.817 -3.817 423 H VAL 59 H VAL 59 105.405 0.585 0.585 424 HA VAL 59 HA VAL 59 106.751 1.779 1.779 425 HB VAL 59 HB VAL 59 107.461 1.800 1.800 426 1HG1 VAL 59 2HG1 VAL 59 108.275 3.396 3.396 427 2HG1 VAL 59 1HG1 VAL 59 108.060 4.260 4.260 428 3HG1 VAL 59 3HG1 VAL 59 109.218 2.934 2.934 429 1HG2 VAL 59 3HG2 VAL 59 105.077 2.651 2.651 430 2HG2 VAL 59 2HG2 VAL 59 105.571 2.971 2.971 431 3HG2 VAL 59 1HG2 VAL 59 105.989 4.111 4.111 432 H ALA 60 H ALA 60 107.835 -0.508 -0.508 433 HA ALA 60 HA ALA 60 110.547 -0.763 -0.763 434 1HB ALA 60 3HB ALA 60 108.922 -1.728 -1.728 435 2HB ALA 60 2HB ALA 60 109.173 -3.180 -3.180 436 3HB ALA 60 1HB ALA 60 110.558 -2.313 -2.313 437 H GLU 61 H GLU 61 107.855 -3.049 -3.049 438 HA GLU 61 HA GLU 61 109.087 -4.752 -4.752 439 1HB GLU 61 2HB GLU 61 106.569 -4.298 -4.298 440 2HB GLU 61 1HB GLU 61 106.380 -3.769 -3.769 441 1HG GLU 61 2HG GLU 61 106.730 -5.877 -5.877 442 2HG GLU 61 1HG GLU 61 107.822 -6.339 -6.339 443 H LEU 62 H LEU 62 108.076 -1.415 -1.415 444 HA LEU 62 HA LEU 62 108.471 -1.528 -1.528 445 1HB LEU 62 2HB LEU 62 106.797 -0.054 -0.054 446 2HB LEU 62 1HB LEU 62 107.567 0.356 0.356 447 HG LEU 62 HG LEU 62 109.255 1.666 1.666 448 1HD1 LEU 62 1HD1 LEU 62 107.901 0.403 0.403 449 2HD1 LEU 62 3HD1 LEU 62 108.249 2.121 2.121 450 3HD1 LEU 62 2HD1 LEU 62 109.558 0.991 0.991 451 1HD2 LEU 62 1HD2 LEU 62 107.184 2.744 2.744 452 2HD2 LEU 62 3HD2 LEU 62 107.766 3.502 3.502 453 3HD2 LEU 62 2HD2 LEU 62 106.406 2.387 2.387 454 H LEU 63 H LEU 63 110.033 0.301 0.301 455 HA LEU 63 HA LEU 63 112.279 1.147 1.147 456 1HB LEU 63 2HB LEU 63 111.400 1.120 1.120 457 2HB LEU 63 1HB LEU 63 113.137 1.264 1.264 458 HG LEU 63 HG LEU 63 111.079 3.014 3.014 459 1HD1 LEU 63 3HD1 LEU 63 112.418 3.189 3.189 460 2HD1 LEU 63 2HD1 LEU 63 112.400 4.669 4.669 461 3HD1 LEU 63 1HD1 LEU 63 110.883 3.876 3.876 462 1HD2 LEU 63 1HD2 LEU 63 113.936 2.577 2.577 463 2HD2 LEU 63 3HD2 LEU 63 112.853 3.569 3.569 464 3HD2 LEU 63 2HD2 LEU 63 113.609 4.247 4.247 465 H LEU 64 H LEU 64 111.659 -1.610 -1.610 466 HA LEU 64 HA LEU 64 114.297 -2.663 -2.663 467 1HB LEU 64 2HB LEU 64 112.371 -3.321 -3.321 468 2HB LEU 64 1HB LEU 64 111.565 -3.993 -3.993 469 HG LEU 64 HG LEU 64 112.828 -5.614 -5.614 470 1HD1 LEU 64 3HD1 LEU 64 112.072 -5.799 -5.799 471 2HD1 LEU 64 2HD1 LEU 64 113.813 -5.997 -5.997 472 3HD1 LEU 64 1HD1 LEU 64 112.913 -7.101 -7.101 473 1HD2 LEU 64 1HD2 LEU 64 114.899 -4.171 -4.171 474 2HD2 LEU 64 3HD2 LEU 64 115.200 -5.854 -5.854 475 3HD2 LEU 64 2HD2 LEU 64 115.168 -4.618 -4.618 476 H LEU 65 H LEU 65 111.680 -3.989 -3.989 477 HA LEU 65 HA LEU 65 113.330 -5.606 -5.606 478 1HB LEU 65 2HB LEU 65 111.412 -5.819 -5.819 479 2HB LEU 65 1HB LEU 65 110.752 -5.396 -5.396 480 HG LEU 65 HG LEU 65 110.931 -2.930 -2.930 481 1HD1 LEU 65 3HD1 LEU 65 111.578 -4.548 -4.548 482 2HD1 LEU 65 2HD1 LEU 65 110.293 -3.370 -3.370 483 3HD1 LEU 65 1HD1 LEU 65 111.871 -2.836 -2.836 484 1HD2 LEU 65 1HD2 LEU 65 108.893 -4.758 -4.758 485 2HD2 LEU 65 3HD2 LEU 65 108.673 -3.070 -3.070 486 3HD2 LEU 65 2HD2 LEU 65 108.818 -4.313 -4.313 487 H HIS 66 H HIS 66 112.870 -2.149 -2.149 488 HA HIS 66 HA HIS 66 113.947 -1.753 -1.753 489 1HB HIS 66 2HB HIS 66 112.814 -0.264 -0.264 490 2HB HIS 66 1HB HIS 66 113.979 0.616 0.616 491 HD1 HIS 66 HD1 HIS 66 110.536 -0.695 -0.695 492 HD2 HIS 66 HD2 HIS 66 113.251 0.819 0.819 493 HE1 HIS 66 HE1 HIS 66 109.218 -0.229 -0.229 494 H GLY 67 H GLY 67 115.113 -1.110 -1.110 495 1HA GLY 67 2HA GLY 67 117.617 -2.027 -2.027 496 2HA GLY 67 1HA GLY 67 117.801 -0.653 -0.653 497 H ALA 68 H ALA 68 115.847 -0.944 -0.944 498 HA ALA 68 HA ALA 68 116.808 1.663 1.663 499 1HB ALA 68 3HB ALA 68 114.702 -0.156 -0.156 500 2HB ALA 68 2HB ALA 68 115.590 0.020 0.020 501 3HB ALA 68 1HB ALA 68 114.931 1.443 1.443 502 H GLU 69 H GLU 69 117.142 0.972 0.972 503 HA GLU 69 HA GLU 69 119.746 -0.514 -0.514 504 1HB GLU 69 2HB GLU 69 119.682 2.059 2.059 505 2HB GLU 69 1HB GLU 69 119.066 1.722 1.722 506 1HG GLU 69 2HG GLU 69 121.525 1.992 1.992 507 2HG GLU 69 1HG GLU 69 121.055 0.360 0.360 508 HA PRO 70 HA PRO 70 116.828 -2.413 -2.413 509 1HB PRO 70 2HB PRO 70 116.946 -4.960 -4.960 510 2HB PRO 70 1HB PRO 70 115.776 -3.762 -3.762 511 1HG PRO 70 2HG PRO 70 118.348 -4.640 -4.640 512 2HG PRO 70 1HG PRO 70 116.802 -4.276 -4.276 513 1HD PRO 70 2HD PRO 70 118.905 -2.549 -2.549 514 2HD PRO 70 1HD PRO 70 117.209 -2.022 -2.022 515 H ASN 71 H ASN 71 120.053 -2.769 -2.769 516 HA ASN 71 HA ASN 71 120.730 -4.493 -4.493 517 1HB ASN 71 2HB ASN 71 121.102 -5.119 -5.119 518 2HB ASN 71 1HB ASN 71 122.539 -4.119 -4.119 519 1HD2 ASN 71 1HD2 ASN 71 124.279 -4.955 -4.955 520 2HD2 ASN 71 2HD2 ASN 71 124.254 -6.506 -6.506 521 H CYS 72 H CYS 72 122.620 -2.281 -2.281 522 HA CYS 72 HA CYS 72 124.453 -1.404 -1.404 523 1HB CYS 72 2HB CYS 72 123.804 -0.867 -0.867 524 2HB CYS 72 1HB CYS 72 123.473 0.680 0.680 525 HG CYS 72 HG CYS 72 126.238 -0.687 -0.687 526 H ALA 73 H ALA 73 124.562 0.460 0.460 527 HA ALA 73 HA ALA 73 121.973 1.832 1.832 528 1HB ALA 73 2HB ALA 73 122.672 -0.238 -0.238 529 2HB ALA 73 1HB ALA 73 123.839 0.876 0.876 530 3HB ALA 73 3HB ALA 73 122.111 1.220 1.220 531 H ASP 74 H ASP 74 123.629 2.911 2.911 532 HA ASP 74 HA ASP 74 125.251 4.875 4.875 533 1HB ASP 74 2HB ASP 74 122.948 5.422 5.422 534 2HB ASP 74 1HB ASP 74 123.989 5.537 5.537 535 HA PRO 75 HA PRO 75 128.507 3.379 3.379 536 1HB PRO 75 2HB PRO 75 130.407 5.221 5.221 537 2HB PRO 75 1HB PRO 75 129.972 3.841 3.841 538 1HG PRO 75 2HG PRO 75 129.130 6.689 6.689 539 2HG PRO 75 1HG PRO 75 129.542 5.541 5.541 540 1HD PRO 75 2HD PRO 75 126.981 6.194 6.194 541 2HD PRO 75 1HD PRO 75 127.444 4.623 4.623 542 H ALA 76 H ALA 76 126.881 6.365 6.365 543 HA ALA 76 HA ALA 76 128.490 7.486 7.486 544 1HB ALA 76 1HB ALA 76 126.974 8.576 8.576 545 2HB ALA 76 3HB ALA 76 125.701 8.340 8.340 546 3HB ALA 76 2HB ALA 76 127.106 9.332 9.332 547 H THR 77 H THR 77 125.113 6.297 6.297 548 HA THR 77 HA THR 77 125.225 5.613 5.613 549 HB THR 77 HB THR 77 122.756 6.018 6.018 550 HG1 THR 77 HG1 THR 77 122.096 7.146 7.146 551 1HG2 THR 77 2HG2 THR 77 124.377 7.815 7.815 552 2HG2 THR 77 1HG2 THR 77 124.421 8.302 8.302 553 3HG2 THR 77 3HG2 THR 77 122.923 8.444 8.444 554 H LEU 78 H LEU 78 125.510 4.152 4.152 555 HA LEU 78 HA LEU 78 125.044 1.991 1.991 556 1HB LEU 78 2HB LEU 78 125.738 1.969 1.969 557 2HB LEU 78 1HB LEU 78 124.587 0.670 0.670 558 HG LEU 78 HG LEU 78 127.249 1.132 1.132 559 1HD1 LEU 78 3HD1 LEU 78 126.064 -1.083 -1.083 560 2HD1 LEU 78 2HD1 LEU 78 127.573 -1.250 -1.250 561 3HD1 LEU 78 1HD1 LEU 78 127.442 -0.056 -0.056 562 1HD2 LEU 78 3HD2 LEU 78 124.855 -0.472 -0.472 563 2HD2 LEU 78 2HD2 LEU 78 126.012 0.407 0.407 564 3HD2 LEU 78 1HD2 LEU 78 126.460 -1.144 -1.144 565 H THR 79 H THR 79 122.677 3.789 3.789 566 HA THR 79 HA THR 79 120.523 2.201 2.201 567 HB THR 79 HB THR 79 120.327 4.399 4.399 568 HG1 THR 79 HG1 THR 79 121.159 5.703 5.703 569 1HG2 THR 79 1HG2 THR 79 118.537 3.092 3.092 570 2HG2 THR 79 3HG2 THR 79 118.430 4.852 4.852 571 3HG2 THR 79 2HG2 THR 79 118.148 3.906 3.906 572 H ARG 80 H ARG 80 120.684 0.124 0.124 573 HA ARG 80 HA ARG 80 120.793 -0.235 -0.235 574 1HB ARG 80 2HB ARG 80 120.429 -1.810 -1.810 575 2HB ARG 80 1HB ARG 80 119.661 -2.511 -2.511 576 1HG ARG 80 2HG ARG 80 122.194 -1.600 -1.600 577 2HG ARG 80 1HG ARG 80 122.475 -2.404 -2.404 578 1HD ARG 80 2HD ARG 80 122.220 -4.427 -4.427 579 2HD ARG 80 1HD ARG 80 120.617 -3.962 -3.962 580 HE ARG 80 HE ARG 80 121.780 -2.863 -2.863 581 1HH1 ARG 80 1HH2 ARG 80 124.470 -3.261 -3.261 582 2HH1 ARG 80 2HH2 ARG 80 125.242 -4.415 -4.415 583 1HH2 ARG 80 2HH1 ARG 80 122.364 -5.135 -5.135 584 2HH2 ARG 80 1HH1 ARG 80 124.052 -5.475 -5.475 585 HA PRO 81 HA PRO 81 116.594 0.448 0.448 586 1HB PRO 81 2HB PRO 81 116.190 -1.466 -1.466 587 2HB PRO 81 1HB PRO 81 117.169 -0.011 -0.011 588 1HG PRO 81 2HG PRO 81 118.048 -2.787 -2.787 589 2HG PRO 81 1HG PRO 81 118.741 -1.619 -1.619 590 1HD PRO 81 2HD PRO 81 119.801 -2.094 -2.094 591 2HD PRO 81 1HD PRO 81 119.908 -0.515 -0.515 592 H VAL 82 H VAL 82 117.594 -2.390 -2.390 593 HA VAL 82 HA VAL 82 115.068 -3.845 -3.845 594 HB VAL 82 HB VAL 82 117.389 -4.036 -4.036 595 1HG1 VAL 82 1HG1 VAL 82 115.001 -5.603 -5.603 596 2HG1 VAL 82 3HG1 VAL 82 116.466 -6.571 -6.571 597 3HG1 VAL 82 2HG1 VAL 82 116.125 -5.730 -5.730 598 1HG2 VAL 82 3HG2 VAL 82 117.219 -4.711 -4.711 599 2HG2 VAL 82 2HG2 VAL 82 118.624 -4.270 -4.270 600 3HG2 VAL 82 1HG2 VAL 82 117.980 -5.910 -5.910 601 H HIS 83 H HIS 83 116.611 -1.429 -1.429 602 HA HIS 83 HA HIS 83 114.821 -1.718 -1.718 603 1HB HIS 83 2HB HIS 83 116.484 0.624 0.624 604 2HB HIS 83 1HB HIS 83 115.776 0.494 0.494 605 HD2 HIS 83 HD2 HIS 83 117.530 -0.708 -0.708 606 HE1 HIS 83 HE1 HIS 83 119.829 -2.848 -2.848 607 HE2 HIS 83 HE2 HIS 83 119.554 -2.274 -2.274 608 H ASP 84 H ASP 84 114.919 0.410 0.410 609 HA ASP 84 HA ASP 84 112.808 2.167 2.167 610 1HB ASP 84 2HB ASP 84 113.466 0.719 0.719 611 2HB ASP 84 1HB ASP 84 112.677 2.287 2.287 612 H ALA 85 H ALA 85 112.536 -1.107 -1.107 613 HA ALA 85 HA ALA 85 109.686 -1.113 -1.113 614 1HB ALA 85 2HB ALA 85 111.698 -3.331 -3.331 615 2HB ALA 85 1HB ALA 85 110.056 -3.588 -3.588 616 3HB ALA 85 3HB ALA 85 111.223 -2.715 -2.715 617 H ALA 86 H ALA 86 111.520 -2.979 -2.979 618 HA ALA 86 HA ALA 86 109.453 -3.516 -3.516 619 1HB ALA 86 3HB ALA 86 112.189 -3.867 -3.867 620 2HB ALA 86 2HB ALA 86 112.028 -2.850 -2.850 621 3HB ALA 86 1HB ALA 86 111.189 -4.399 -4.399 622 H ARG 87 H ARG 87 111.771 -0.778 -0.778 623 HA ARG 87 HA ARG 87 110.775 0.510 0.510 624 1HB ARG 87 2HB ARG 87 112.679 1.077 1.077 625 2HB ARG 87 1HB ARG 87 111.455 2.064 2.064 626 1HG ARG 87 2HG ARG 87 111.217 2.648 2.648 627 2HG ARG 87 1HG ARG 87 112.949 2.617 2.617 628 1HD ARG 87 2HD ARG 87 110.923 4.198 4.198 629 2HD ARG 87 1HD ARG 87 111.995 4.884 4.884 630 HE ARG 87 HE ARG 87 113.628 3.385 3.385 631 1HH1 ARG 87 1HH2 ARG 87 112.865 6.511 6.511 632 2HH1 ARG 87 2HH2 ARG 87 113.158 7.157 7.157 633 1HH2 ARG 87 2HH1 ARG 87 113.458 4.044 4.044 634 2HH2 ARG 87 1HH1 ARG 87 113.494 5.759 5.759 635 H GLU 88 H GLU 88 109.205 0.386 0.386 636 HA GLU 88 HA GLU 88 107.156 2.341 2.341 637 1HB GLU 88 2HB GLU 88 108.490 1.898 1.898 638 2HB GLU 88 1HB GLU 88 106.861 1.278 1.278 639 1HG GLU 88 2HG GLU 88 106.328 3.453 3.453 640 2HG GLU 88 1HG GLU 88 106.331 3.606 3.606 641 H GLY 89 H GLY 89 107.654 -0.993 -0.993 642 1HA GLY 89 2HA GLY 89 106.152 -2.697 -2.697 643 2HA GLY 89 1HA GLY 89 104.849 -1.508 -1.508 644 H PHE 90 H PHE 90 107.066 -2.169 -2.169 645 HA PHE 90 HA PHE 90 104.691 -3.121 -3.121 646 1HB PHE 90 2HB PHE 90 106.371 -0.931 -0.931 647 2HB PHE 90 1HB PHE 90 106.993 -2.114 -2.114 648 HD1 PHE 90 HD2 PHE 90 105.380 -3.223 -3.223 649 HD2 PHE 90 HD1 PHE 90 104.319 0.195 0.195 650 HE1 PHE 90 HE2 PHE 90 103.462 -2.779 -2.779 651 HE2 PHE 90 HE1 PHE 90 102.395 0.637 0.637 652 HZ PHE 90 HZ PHE 90 101.972 -0.848 -0.848 653 H LEU 91 H LEU 91 104.938 -5.373 -5.373 654 HA LEU 91 HA LEU 91 107.584 -6.615 -6.615 655 1HB LEU 91 2HB LEU 91 105.264 -7.291 -7.291 656 2HB LEU 91 1HB LEU 91 105.114 -8.228 -8.228 657 HG LEU 91 HG LEU 91 107.616 -8.229 -8.229 658 1HD1 LEU 91 3HD1 LEU 91 105.335 -9.174 -9.174 659 2HD1 LEU 91 2HD1 LEU 91 105.718 -10.536 -10.536 660 3HD1 LEU 91 1HD1 LEU 91 106.849 -10.054 -10.054 661 1HD2 LEU 91 2HD2 LEU 91 106.921 -9.246 -9.246 662 2HD2 LEU 91 1HD2 LEU 91 108.458 -9.374 -9.374 663 3HD2 LEU 91 3HD2 LEU 91 107.218 -10.606 -10.606 664 H ASP 92 H ASP 92 104.685 -6.090 -6.090 665 HA ASP 92 HA ASP 92 105.130 -7.766 -7.766 666 1HB ASP 92 2HB ASP 92 104.022 -5.008 -5.008 667 2HB ASP 92 1HB ASP 92 104.188 -5.617 -5.617 668 H THR 93 H THR 93 106.623 -4.589 -4.589 669 HA THR 93 HA THR 93 108.201 -4.459 -4.459 670 HB THR 93 HB THR 93 108.393 -3.252 -3.252 671 HG1 THR 93 HG1 THR 93 106.882 -2.143 -2.143 672 1HG2 THR 93 2HG2 THR 93 110.205 -2.928 -2.928 673 2HG2 THR 93 1HG2 THR 93 109.979 -1.605 -1.605 674 3HG2 THR 93 3HG2 THR 93 110.638 -3.146 -3.146 675 H LEU 94 H LEU 94 108.793 -5.778 -5.778 676 HA LEU 94 HA LEU 94 111.527 -6.412 -6.412 677 1HB LEU 94 2HB LEU 94 109.258 -7.005 -7.005 678 2HB LEU 94 1HB LEU 94 109.979 -8.560 -8.560 679 HG LEU 94 HG LEU 94 112.143 -7.833 -7.833 680 1HD1 LEU 94 1HD1 LEU 94 111.050 -5.241 -5.241 681 2HD1 LEU 94 3HD1 LEU 94 111.393 -5.381 -5.381 682 3HD1 LEU 94 2HD1 LEU 94 112.676 -5.648 -5.648 683 1HD2 LEU 94 1HD2 LEU 94 109.688 -7.794 -7.794 684 2HD2 LEU 94 3HD2 LEU 94 111.194 -8.676 -8.676 685 3HD2 LEU 94 2HD2 LEU 94 111.062 -6.992 -6.992 686 H VAL 95 H VAL 95 108.762 -8.416 -8.416 687 HA VAL 95 HA VAL 95 110.230 -10.620 -10.620 688 HB VAL 95 HB VAL 95 107.685 -9.352 -9.352 689 1HG1 VAL 95 1HG1 VAL 95 109.151 -11.849 -11.849 690 2HG1 VAL 95 3HG1 VAL 95 107.442 -12.089 -12.089 691 3HG1 VAL 95 2HG1 VAL 95 107.920 -11.032 -11.032 692 1HG2 VAL 95 2HG2 VAL 95 108.287 -11.047 -11.047 693 2HG2 VAL 95 1HG2 VAL 95 107.172 -9.690 -9.690 694 3HG2 VAL 95 3HG2 VAL 95 106.747 -11.263 -11.263 695 H VAL 96 H VAL 96 109.083 -7.707 -7.707 696 HA VAL 96 HA VAL 96 110.119 -8.199 -8.199 697 HB VAL 96 HB VAL 96 110.202 -5.565 -5.565 698 1HG1 VAL 96 1HG1 VAL 96 110.189 -6.355 -6.355 699 2HG1 VAL 96 3HG1 VAL 96 109.560 -4.786 -4.786 700 3HG1 VAL 96 2HG1 VAL 96 111.241 -5.209 -5.209 701 1HG2 VAL 96 1HG2 VAL 96 107.944 -7.218 -7.218 702 2HG2 VAL 96 3HG2 VAL 96 107.974 -6.037 -6.037 703 3HG2 VAL 96 2HG2 VAL 96 107.868 -5.494 -5.494 704 H LEU 97 H LEU 97 111.826 -6.503 -6.503 705 HA LEU 97 HA LEU 97 114.319 -6.077 -6.077 706 1HB LEU 97 2HB LEU 97 113.231 -6.494 -6.494 707 2HB LEU 97 1HB LEU 97 114.978 -6.639 -6.639 708 HG LEU 97 HG LEU 97 114.270 -4.372 -4.372 709 1HD1 LEU 97 2HD1 LEU 97 112.218 -4.795 -4.795 710 2HD1 LEU 97 1HD1 LEU 97 113.265 -3.647 -3.647 711 3HD1 LEU 97 3HD1 LEU 97 112.614 -3.256 -3.256 712 1HD2 LEU 97 1HD2 LEU 97 115.810 -5.051 -5.051 713 2HD2 LEU 97 3HD2 LEU 97 116.255 -4.026 -4.026 714 3HD2 LEU 97 2HD2 LEU 97 115.265 -3.374 -3.374 715 H HIS 98 H HIS 98 113.756 -8.809 -8.809 716 HA HIS 98 HA HIS 98 116.061 -10.294 -10.294 717 1HB HIS 98 2HB HIS 98 114.466 -10.420 -10.420 718 2HB HIS 98 1HB HIS 98 113.505 -11.501 -11.501 719 HD1 HIS 98 HD1 HIS 98 114.912 -12.599 -12.599 720 HD2 HIS 98 HD2 HIS 98 116.603 -12.686 -12.686 721 HE1 HIS 98 HE1 HIS 98 116.646 -14.446 -14.446 722 H ARG 99 H ARG 99 112.780 -10.200 -10.200 723 HA ARG 99 HA ARG 99 112.804 -12.597 -12.597 724 1HB ARG 99 2HB ARG 99 110.781 -11.358 -11.358 725 2HB ARG 99 1HB ARG 99 111.444 -9.910 -9.910 726 1HG ARG 99 2HG ARG 99 111.578 -11.237 -11.237 727 2HG ARG 99 1HG ARG 99 110.636 -12.492 -12.492 728 1HD ARG 99 2HD ARG 99 109.343 -9.980 -9.980 729 2HD ARG 99 1HD ARG 99 109.663 -10.113 -10.113 730 HE ARG 99 HE ARG 99 107.986 -11.958 -11.958 731 1HH1 ARG 99 1HH2 ARG 99 108.317 -10.524 -10.524 732 2HH1 ARG 99 2HH2 ARG 99 108.006 -11.941 -11.941 733 1HH2 ARG 99 2HH1 ARG 99 108.154 -14.105 -14.105 734 2HH2 ARG 99 1HH1 ARG 99 107.914 -13.967 -13.967 735 H ALA 100 H ALA 100 114.549 -9.655 -9.655 736 HA ALA 100 HA ALA 100 115.303 -10.580 -10.580 737 1HB ALA 100 1HB ALA 100 113.891 -8.290 -8.290 738 2HB ALA 100 3HB ALA 100 115.509 -7.723 -7.723 739 3HB ALA 100 2HB ALA 100 114.556 -8.604 -8.604 740 H GLY 101 H GLY 101 116.319 -8.601 -8.601 741 1HA GLY 101 2HA GLY 101 118.885 -9.733 -9.733 742 2HA GLY 101 1HA GLY 101 119.031 -8.334 -8.334 743 H ALA 102 H ALA 102 118.906 -9.331 -9.331 744 HA ALA 102 HA ALA 102 119.269 -6.592 -6.592 745 1HB ALA 102 2HB ALA 102 116.679 -8.099 -8.099 746 2HB ALA 102 1HB ALA 102 117.157 -6.830 -6.830 747 3HB ALA 102 3HB ALA 102 116.914 -6.450 -6.450 748 H ARG 103 H ARG 103 120.931 -7.038 -7.038 749 HA ARG 103 HA ARG 103 121.310 -9.535 -9.535 750 1HB ARG 103 2HB ARG 103 123.019 -7.762 -7.762 751 2HB ARG 103 1HB ARG 103 122.368 -6.780 -6.780 752 1HG ARG 103 2HG ARG 103 122.765 -9.217 -9.217 753 2HG ARG 103 1HG ARG 103 124.131 -9.131 -9.131 754 1HD ARG 103 2HD ARG 103 124.034 -6.561 -6.561 755 2HD ARG 103 1HD ARG 103 123.653 -7.598 -7.598 756 HE ARG 103 HE ARG 103 126.144 -7.734 -7.734 757 1HH1 ARG 103 1HH2 ARG 103 124.224 -9.895 -9.895 758 2HH1 ARG 103 2HH2 ARG 103 125.430 -10.369 -10.369 759 1HH2 ARG 103 2HH1 ARG 103 127.681 -7.907 -7.907 760 2HH2 ARG 103 1HH1 ARG 103 127.389 -9.243 -9.243 761 H LEU 104 H LEU 104 119.424 -10.047 -10.047 762 HA LEU 104 HA LEU 104 118.332 -8.095 -8.095 763 1HB LEU 104 2HB LEU 104 117.492 -10.423 -10.423 764 2HB LEU 104 1HB LEU 104 117.358 -10.791 -10.791 765 HG LEU 104 HG LEU 104 116.312 -8.201 -8.201 766 1HD1 LEU 104 2HD1 LEU 104 115.345 -10.353 -10.353 767 2HD1 LEU 104 1HD1 LEU 104 114.597 -10.632 -10.632 768 3HD1 LEU 104 3HD1 LEU 104 114.209 -9.175 -9.175 769 1HD2 LEU 104 2HD2 LEU 104 116.692 -8.640 -8.640 770 2HD2 LEU 104 1HD2 LEU 104 115.087 -8.085 -8.085 771 3HD2 LEU 104 3HD2 LEU 104 115.362 -9.790 -9.790 772 H ASP 105 H ASP 105 120.836 -8.280 -8.280 773 HA ASP 105 HA ASP 105 120.645 -9.549 -9.549 774 1HB ASP 105 2HB ASP 105 121.144 -11.378 -11.378 775 2HB ASP 105 1HB ASP 105 122.772 -10.696 -10.696 776 H VAL 106 H VAL 106 121.249 -6.913 -6.913 777 HA VAL 106 HA VAL 106 124.177 -6.623 -6.623 778 HB VAL 106 HB VAL 106 122.756 -5.653 -5.653 779 1HG1 VAL 106 1HG1 VAL 106 121.405 -4.456 -4.456 780 2HG1 VAL 106 3HG1 VAL 106 122.422 -3.167 -3.167 781 3HG1 VAL 106 2HG1 VAL 106 121.286 -4.010 -4.010 782 1HG2 VAL 106 1HG2 VAL 106 125.110 -4.802 -4.802 783 2HG2 VAL 106 3HG2 VAL 106 124.721 -4.620 -4.620 784 3HG2 VAL 106 2HG2 VAL 106 124.250 -3.368 -3.368 785 H ARG 107 H ARG 107 124.311 -4.122 -4.122 786 HA ARG 107 HA ARG 107 122.516 -4.071 -4.071 787 1HB ARG 107 2HB ARG 107 124.524 -3.898 -3.898 788 2HB ARG 107 1HB ARG 107 124.507 -5.415 -5.415 789 1HG ARG 107 2HG ARG 107 126.525 -4.913 -4.913 790 2HG ARG 107 1HG ARG 107 125.826 -3.499 -3.499 791 1HD ARG 107 2HD ARG 107 126.114 -2.255 -2.255 792 2HD ARG 107 1HD ARG 107 127.072 -3.642 -3.642 793 HE ARG 107 HE ARG 107 127.890 -2.643 -2.643 794 1HH1 ARG 107 2HH1 ARG 107 129.066 -3.657 -3.657 795 2HH1 ARG 107 1HH1 ARG 107 130.266 -2.422 -2.422 796 1HH2 ARG 107 1HH2 ARG 107 129.064 -0.482 -0.482 797 2HH2 ARG 107 2HH2 ARG 107 130.265 -0.627 -0.627 798 H ASP 108 H ASP 108 121.649 -2.051 -2.051 799 HA ASP 108 HA ASP 108 122.630 0.172 0.172 800 1HB ASP 108 2HB ASP 108 120.495 -0.510 -0.510 801 2HB ASP 108 1HB ASP 108 121.220 0.929 0.929 802 H ALA 109 H ALA 109 123.899 1.990 1.990 803 HA ALA 109 HA ALA 109 126.116 1.611 1.611 804 1HB ALA 109 1HB ALA 109 124.729 4.078 4.078 805 2HB ALA 109 3HB ALA 109 126.283 4.137 4.137 806 3HB ALA 109 2HB ALA 109 126.126 3.249 3.249 807 H TRP 110 H TRP 110 122.871 2.780 2.780 808 HA TRP 110 HA TRP 110 123.326 4.088 4.088 809 1HB TRP 110 2HB TRP 110 120.915 2.494 2.494 810 2HB TRP 110 1HB TRP 110 120.917 3.793 3.793 811 HD1 TRP 110 HD1 TRP 110 119.550 3.520 3.520 812 HE1 TRP 110 HE1 TRP 110 119.801 5.599 5.599 813 HE3 TRP 110 HE3 TRP 110 123.405 5.865 5.865 814 HZ2 TRP 110 HZ2 TRP 110 121.424 7.946 7.946 815 HZ3 TRP 110 HZ3 TRP 110 124.286 8.018 8.018 816 HH2 TRP 110 HH2 TRP 110 123.303 9.061 9.061 817 H GLY 111 H GLY 111 123.517 0.760 0.760 818 1HA GLY 111 2HA GLY 111 124.243 -1.015 -1.015 819 2HA GLY 111 1HA GLY 111 123.992 0.026 0.026 820 H ARG 112 H ARG 112 121.749 -0.876 -0.876 821 HA ARG 112 HA ARG 112 120.105 -2.453 -2.453 822 1HB ARG 112 2HB ARG 112 119.582 0.306 0.306 823 2HB ARG 112 1HB ARG 112 118.206 -0.793 -0.793 824 1HG ARG 112 2HG ARG 112 117.874 -0.403 -0.403 825 2HG ARG 112 1HG ARG 112 119.354 -1.311 -1.311 826 1HD ARG 112 2HD ARG 112 120.664 0.811 0.811 827 2HD ARG 112 1HD ARG 112 119.127 1.691 1.691 828 HE ARG 112 HE ARG 112 120.214 0.576 0.576 829 1HH1 ARG 112 2HH1 ARG 112 117.528 -0.760 -0.760 830 2HH1 ARG 112 1HH1 ARG 112 116.464 0.341 0.341 831 1HH2 ARG 112 1HH2 ARG 112 118.771 2.927 2.927 832 2HH2 ARG 112 2HH2 ARG 112 117.166 2.427 2.427 833 H LEU 113 H LEU 113 120.085 -4.285 -4.285 834 HA LEU 113 HA LEU 113 120.088 -4.384 -4.384 835 1HB LEU 113 2HB LEU 113 119.668 -6.122 -6.122 836 2HB LEU 113 1HB LEU 113 118.486 -6.509 -6.509 837 HG LEU 113 HG LEU 113 120.580 -6.329 -6.329 838 1HD1 LEU 113 3HD1 LEU 113 121.775 -6.880 -6.880 839 2HD1 LEU 113 2HD1 LEU 113 122.602 -7.254 -7.254 840 3HD1 LEU 113 1HD1 LEU 113 122.203 -5.583 -5.583 841 1HD2 LEU 113 1HD2 LEU 113 119.180 -8.424 -8.424 842 2HD2 LEU 113 3HD2 LEU 113 120.225 -8.555 -8.555 843 3HD2 LEU 113 2HD2 LEU 113 120.882 -8.835 -8.835 844 HA PRO 114 HA PRO 114 116.043 -3.217 -3.217 845 1HB PRO 114 2HB PRO 114 115.366 -5.130 -5.130 846 2HB PRO 114 1HB PRO 114 116.568 -3.864 -3.864 847 1HG PRO 114 2HG PRO 114 116.984 -6.708 -6.708 848 2HG PRO 114 1HG PRO 114 117.869 -5.722 -5.722 849 1HD PRO 114 2HD PRO 114 118.807 -6.237 -6.237 850 2HD PRO 114 1HD PRO 114 119.174 -4.733 -4.733 851 H VAL 115 H VAL 115 116.419 -6.638 -6.638 852 HA VAL 115 HA VAL 115 113.589 -7.105 -7.105 853 HB VAL 115 HB VAL 115 115.121 -8.920 -8.920 854 1HG1 VAL 115 2HG1 VAL 115 116.868 -7.547 -7.547 855 2HG1 VAL 115 1HG1 VAL 115 116.574 -9.120 -9.120 856 3HG1 VAL 115 3HG1 VAL 115 117.206 -9.020 -9.020 857 1HG2 VAL 115 3HG2 VAL 115 114.199 -9.061 -9.061 858 2HG2 VAL 115 2HG2 VAL 115 113.233 -9.474 -9.474 859 3HG2 VAL 115 1HG2 VAL 115 114.640 -10.449 -10.449 860 H ASP 116 H ASP 116 116.275 -5.883 -5.883 861 HA ASP 116 HA ASP 116 114.976 -6.233 -6.233 862 1HB ASP 116 2HB ASP 116 117.437 -5.121 -5.121 863 2HB ASP 116 1HB ASP 116 116.855 -4.199 -4.199 864 H LEU 117 H LEU 117 115.243 -3.607 -3.607 865 HA LEU 117 HA LEU 117 113.946 -1.589 -1.589 866 1HB LEU 117 2HB LEU 117 115.407 -1.115 -1.115 867 2HB LEU 117 1HB LEU 117 114.296 -1.956 -1.956 868 HG LEU 117 HG LEU 117 112.913 0.071 0.071 869 1HD1 LEU 117 2HD1 LEU 117 115.320 1.010 1.010 870 2HD1 LEU 117 1HD1 LEU 117 114.933 1.169 1.169 871 3HD1 LEU 117 3HD1 LEU 117 113.980 2.037 2.037 872 1HD2 LEU 117 2HD2 LEU 117 113.184 -0.871 -0.871 873 2HD2 LEU 117 1HD2 LEU 117 111.731 -0.497 -0.497 874 3HD2 LEU 117 3HD2 LEU 117 112.678 0.805 0.805 875 H ALA 118 H ALA 118 112.770 -3.877 -3.877 876 HA ALA 118 HA ALA 118 110.094 -2.979 -2.979 877 1HB ALA 118 3HB ALA 118 111.604 -5.521 -5.521 878 2HB ALA 118 2HB ALA 118 109.844 -5.632 -5.632 879 3HB ALA 118 1HB ALA 118 110.638 -4.606 -4.606 880 H GLU 119 H GLU 119 111.454 -5.428 -5.428 881 HA GLU 119 HA GLU 119 109.002 -5.942 -5.942 882 1HB GLU 119 2HB GLU 119 111.928 -6.192 -6.192 883 2HB GLU 119 1HB GLU 119 110.598 -6.902 -6.902 884 1HG GLU 119 2HG GLU 119 110.059 -7.754 -7.754 885 2HG GLU 119 1HG GLU 119 111.821 -7.796 -7.796 886 H GLU 120 H GLU 120 111.330 -3.354 -3.354 887 HA GLU 120 HA GLU 120 110.589 -2.473 -2.473 888 1HB GLU 120 2HB GLU 120 112.821 -2.150 -2.150 889 2HB GLU 120 1HB GLU 120 112.115 -1.165 -1.165 890 1HG GLU 120 2HG GLU 120 111.134 0.123 0.123 891 2HG GLU 120 1HG GLU 120 112.659 -0.477 -0.477 892 H LEU 121 H LEU 121 110.318 -0.771 -0.771 893 HA LEU 121 HA LEU 121 108.427 1.166 1.166 894 1HB LEU 121 2HB LEU 121 109.557 0.076 0.076 895 2HB LEU 121 1HB LEU 121 107.925 0.711 0.711 896 HG LEU 121 HG LEU 121 109.853 2.354 2.354 897 1HD1 LEU 121 3HD1 LEU 121 109.927 1.994 1.994 898 2HD1 LEU 121 2HD1 LEU 121 110.616 3.394 3.394 899 3HD1 LEU 121 1HD1 LEU 121 111.257 1.782 1.782 900 1HD2 LEU 121 3HD2 LEU 121 107.684 2.946 2.946 901 2HD2 LEU 121 2HD2 LEU 121 107.530 3.085 3.085 902 3HD2 LEU 121 1HD2 LEU 121 108.608 4.169 4.169 903 H GLY 122 H GLY 122 107.380 -1.166 -1.166 904 1HA GLY 122 2HA GLY 122 105.438 -2.570 -2.570 905 2HA GLY 122 1HA GLY 122 104.661 -1.150 -1.150 906 H HIS 123 H HIS 123 107.287 -2.980 -2.980 907 HA HIS 123 HA HIS 123 105.469 -3.603 -3.603 908 1HB HIS 123 2HB HIS 123 108.495 -3.691 -3.691 909 2HB HIS 123 1HB HIS 123 107.468 -3.484 -3.484 910 HD1 HIS 123 HD1 HIS 123 105.708 -1.217 -1.217 911 HD2 HIS 123 HD2 HIS 123 109.579 -1.236 -1.236 912 HE1 HIS 123 HE1 HIS 123 106.283 1.192 1.192 913 H ARG 124 H ARG 124 105.456 -5.140 -5.140 914 HA ARG 124 HA ARG 124 107.003 -7.444 -7.444 915 1HB ARG 124 2HB ARG 124 104.213 -6.627 -6.627 916 2HB ARG 124 1HB ARG 124 104.491 -8.369 -8.369 917 1HG ARG 124 2HG ARG 124 106.495 -7.951 -7.951 918 2HG ARG 124 1HG ARG 124 105.853 -6.323 -6.323 919 1HD ARG 124 2HD ARG 124 103.641 -7.419 -7.419 920 2HD ARG 124 1HD ARG 124 104.536 -8.949 -8.949 921 HE ARG 124 HE ARG 124 106.057 -7.031 -7.031 922 1HH1 ARG 124 1HH2 ARG 124 102.746 -7.273 -7.273 923 2HH1 ARG 124 2HH2 ARG 124 102.742 -7.788 -7.788 924 1HH2 ARG 124 2HH1 ARG 124 106.171 -8.285 -8.285 925 2HH2 ARG 124 1HH1 ARG 124 104.680 -8.360 -8.360 926 H ASP 125 H ASP 125 104.163 -6.908 -6.908 927 HA ASP 125 HA ASP 125 104.065 -9.463 -9.463 928 1HB ASP 125 2HB ASP 125 103.024 -8.100 -8.100 929 2HB ASP 125 1HB ASP 125 102.280 -7.899 -7.899 930 H VAL 126 H VAL 126 106.016 -6.579 -6.579 931 HA VAL 126 HA VAL 126 107.228 -7.774 -7.774 932 HB VAL 126 HB VAL 126 108.278 -5.480 -5.480 933 1HG1 VAL 126 2HG1 VAL 126 108.801 -6.598 -6.598 934 2HG1 VAL 126 1HG1 VAL 126 108.645 -4.842 -4.842 935 3HG1 VAL 126 3HG1 VAL 126 109.853 -5.658 -5.658 936 1HG2 VAL 126 1HG2 VAL 126 105.896 -5.672 -5.672 937 2HG2 VAL 126 3HG2 VAL 126 106.122 -4.701 -4.701 938 3HG2 VAL 126 2HG2 VAL 126 106.871 -4.204 -4.204 939 H ALA 127 H ALA 127 108.446 -7.076 -7.076 940 HA ALA 127 HA ALA 127 111.002 -8.176 -8.176 941 1HB ALA 127 3HB ALA 127 108.991 -7.552 -7.552 942 2HB ALA 127 2HB ALA 127 109.971 -8.934 -8.934 943 3HB ALA 127 1HB ALA 127 110.745 -7.399 -7.399 944 H ARG 128 H ARG 128 107.930 -9.917 -9.917 945 HA ARG 128 HA ARG 128 108.704 -12.466 -12.466 946 1HB ARG 128 2HB ARG 128 106.760 -11.378 -11.378 947 2HB ARG 128 1HB ARG 128 106.945 -13.127 -13.127 948 1HG ARG 128 2HG ARG 128 106.604 -12.846 -12.846 949 2HG ARG 128 1HG ARG 128 106.150 -11.175 -11.175 950 1HD ARG 128 2HD ARG 128 104.363 -12.005 -12.005 951 2HD ARG 128 1HD ARG 128 104.766 -13.663 -13.663 952 HE ARG 128 HE ARG 128 103.249 -11.799 -11.799 953 1HH1 ARG 128 2HH1 ARG 128 103.980 -14.923 -14.923 954 2HH1 ARG 128 1HH1 ARG 128 104.434 -15.031 -15.031 955 1HH2 ARG 128 1HH2 ARG 128 104.602 -11.597 -11.597 956 2HH2 ARG 128 2HH2 ARG 128 104.785 -13.149 -13.149 957 H TYR 129 H TYR 129 108.415 -11.741 -11.741 958 HA TYR 129 HA TYR 129 110.225 -13.895 -13.895 959 1HB TYR 129 2HB TYR 129 108.390 -13.210 -13.210 960 2HB TYR 129 1HB TYR 129 109.011 -11.560 -11.560 961 HD1 TYR 129 HD2 TYR 129 111.082 -14.649 -14.649 962 HD2 TYR 129 HD1 TYR 129 109.392 -11.390 -11.390 963 HE1 TYR 129 HE2 TYR 129 112.490 -15.254 -15.254 964 HE2 TYR 129 HE1 TYR 129 110.801 -11.997 -11.997 965 HH TYR 129 HH TYR 129 111.943 -14.302 -14.302 966 H LEU 130 H LEU 130 110.576 -10.440 -10.440 967 HA LEU 130 HA LEU 130 113.173 -10.150 -10.150 968 1HB LEU 130 2HB LEU 130 112.201 -8.100 -8.100 969 2HB LEU 130 1HB LEU 130 111.209 -8.626 -8.626 970 HG LEU 130 HG LEU 130 113.246 -8.467 -8.467 971 1HD1 LEU 130 3HD1 LEU 130 114.685 -8.517 -8.517 972 2HD1 LEU 130 2HD1 LEU 130 114.494 -6.768 -6.768 973 3HD1 LEU 130 1HD1 LEU 130 115.263 -7.661 -7.661 974 1HD2 LEU 130 3HD2 LEU 130 111.838 -6.227 -6.227 975 2HD2 LEU 130 2HD2 LEU 130 112.026 -6.571 -6.571 976 3HD2 LEU 130 1HD2 LEU 130 113.329 -5.784 -5.784 977 H ARG 131 H ARG 131 112.087 -11.607 -11.607 978 HA ARG 131 HA ARG 131 114.627 -11.216 -11.216 979 1HB ARG 131 2HB ARG 131 112.476 -11.205 -11.205 980 2HB ARG 131 1HB ARG 131 112.097 -12.806 -12.806 981 1HG ARG 131 2HG ARG 131 113.737 -13.850 -13.850 982 2HG ARG 131 1HG ARG 131 114.597 -12.338 -12.338 983 1HD ARG 131 2HD ARG 131 112.409 -11.563 -11.563 984 2HD ARG 131 1HD ARG 131 112.016 -13.293 -13.293 985 HE ARG 131 HE ARG 131 114.385 -13.531 -13.531 986 1HH1 ARG 131 1HH2 ARG 131 111.865 -11.972 -11.972 987 2HH1 ARG 131 2HH2 ARG 131 112.778 -10.905 -10.905 988 1HH2 ARG 131 2HH1 ARG 131 115.809 -11.620 -11.620 989 2HH2 ARG 131 1HH1 ARG 131 115.012 -10.704 -10.704 990 H ALA 132 H ALA 132 112.833 -13.884 -13.884 991 HA ALA 132 HA ALA 132 114.796 -15.918 -15.918 992 1HB ALA 132 2HB ALA 132 112.546 -15.561 -15.561 993 2HB ALA 132 1HB ALA 132 113.544 -17.015 -17.015 994 3HB ALA 132 3HB ALA 132 112.597 -16.605 -16.605 995 H ALA 133 H ALA 133 114.465 -13.513 -13.513 996 HA ALA 133 HA ALA 133 116.622 -14.712 -14.712 997 1HB ALA 133 2HB ALA 133 114.576 -12.553 -12.553 998 2HB ALA 133 1HB ALA 133 116.028 -12.388 -12.388 999 3HB ALA 133 3HB ALA 133 115.004 -13.813 -13.813 1000 H ALA 134 H ALA 134 116.182 -12.184 -12.184 1001 HA ALA 134 HA ALA 134 119.014 -11.295 -11.295 1002 1HB ALA 134 1HB ALA 134 116.808 -9.796 -9.796 1003 2HB ALA 134 3HB ALA 134 117.013 -9.600 -9.600 1004 3HB ALA 134 2HB ALA 134 118.304 -9.117 -9.117 1005 H GLY 135 H GLY 135 118.999 -13.434 -13.434 1006 1HA GLY 135 2HA GLY 135 120.167 -12.929 -12.929 1007 2HA GLY 135 1HA GLY 135 118.455 -12.820 -12.820 1008 H GLY 136 H GLY 136 121.059 -14.962 -14.962 1009 1HA GLY 136 2HA GLY 136 119.185 -17.291 -17.291 1010 2HA GLY 136 1HA GLY 136 120.813 -17.334 -17.334 1011 H THR 137 H THR 137 121.313 -15.545 -15.545 1012 HA THR 137 HA THR 137 122.516 -17.705 -17.705 1013 HB THR 137 HB THR 137 123.094 -15.847 -15.847 1014 HG1 THR 137 HG1 THR 137 122.161 -13.877 -13.877 1015 1HG2 THR 137 3HG2 THR 137 123.360 -15.511 -15.511 1016 2HG2 THR 137 2HG2 THR 137 123.927 -14.219 -14.219 1017 3HG2 THR 137 1HG2 THR 137 124.604 -15.840 -15.840 1018 H ARG 138 H ARG 138 121.011 -19.145 -19.145 1019 HA ARG 138 HA ARG 138 118.650 -18.042 -18.042 1020 1HB ARG 138 2HB ARG 138 119.538 -20.697 -20.697 1021 2HB ARG 138 1HB ARG 138 118.275 -20.651 -20.651 1022 1HG ARG 138 2HG ARG 138 116.737 -19.895 -19.895 1023 2HG ARG 138 1HG ARG 138 117.834 -18.659 -18.659 1024 1HD ARG 138 2HD ARG 138 118.527 -19.970 -19.970 1025 2HD ARG 138 1HD ARG 138 118.484 -21.456 -21.456 1026 HE ARG 138 HE ARG 138 116.093 -21.594 -21.594 1027 1HH1 ARG 138 1HH2 ARG 138 116.818 -18.396 -18.396 1028 2HH1 ARG 138 2HH2 ARG 138 115.881 -18.282 -18.282 1029 1HH2 ARG 138 2HH1 ARG 138 115.241 -21.685 -21.685 1030 2HH2 ARG 138 1HH1 ARG 138 114.989 -20.143 -20.143 1031 H GLY 139 H GLY 139 119.298 -17.390 -17.390 1032 1HA GLY 139 2HA GLY 139 119.659 -18.004 -18.004 1033 2HA GLY 139 1HA GLY 139 120.445 -19.487 -19.487 1034 H SER 140 H SER 140 122.650 -19.400 -19.400 1035 HA SER 140 HA SER 140 124.302 -17.493 -17.493 1036 1HB SER 140 2HB SER 140 124.650 -19.627 -19.627 1037 2HB SER 140 1HB SER 140 126.009 -18.573 -18.573 1038 HG SER 140 HG SER 140 126.246 -19.622 -19.622 1039 H ASN 141 H ASN 141 125.436 -15.683 -15.683 1040 HA ASN 141 HA ASN 141 124.197 -14.328 -14.328 1041 1HB ASN 141 2HB ASN 141 125.472 -13.632 -13.632 1042 2HB ASN 141 1HB ASN 141 126.648 -13.186 -13.186 1043 1HD2 ASN 141 1HD2 ASN 141 125.662 -11.862 -11.862 1044 2HD2 ASN 141 2HD2 ASN 141 124.459 -10.732 -10.732 1045 H HIS 142 H HIS 142 126.517 -16.711 -16.711 1046 HA HIS 142 HA HIS 142 128.186 -17.429 -17.429 1047 1HB HIS 142 2HB HIS 142 125.978 -16.461 -16.461 1048 2HB HIS 142 1HB HIS 142 127.311 -15.588 -15.588 1049 HD1 HIS 142 HD1 HIS 142 127.101 -19.182 -19.182 1050 HD2 HIS 142 HD2 HIS 142 127.979 -17.091 -17.091 1051 HE1 HIS 142 HE1 HIS 142 127.797 -20.913 -20.913 1052 H ALA 143 H ALA 143 129.833 -16.340 -16.340 1053 HA ALA 143 HA ALA 143 131.080 -14.049 -14.049 1054 1HB ALA 143 1HB ALA 143 132.261 -16.254 -16.254 1055 2HB ALA 143 3HB ALA 143 132.217 -15.870 -15.870 1056 3HB ALA 143 2HB ALA 143 133.119 -14.840 -14.840 1057 H ARG 144 H ARG 144 131.110 -12.051 -12.051 1058 HA ARG 144 HA ARG 144 131.098 -11.764 -11.764 1059 1HB ARG 144 2HB ARG 144 128.957 -10.476 -10.476 1060 2HB ARG 144 1HB ARG 144 128.733 -12.161 -12.161 1061 1HG ARG 144 2HG ARG 144 129.128 -11.212 -11.212 1062 2HG ARG 144 1HG ARG 144 128.631 -9.689 -9.689 1063 1HD ARG 144 2HD ARG 144 126.736 -11.439 -11.439 1064 2HD ARG 144 1HD ARG 144 127.003 -12.049 -12.049 1065 HE ARG 144 HE ARG 144 126.584 -9.722 -9.722 1066 1HH1 ARG 144 1HH2 ARG 144 124.753 -11.065 -11.065 1067 2HH1 ARG 144 2HH2 ARG 144 124.016 -9.584 -9.584 1068 1HH2 ARG 144 2HH1 ARG 144 126.037 -7.581 -7.581 1069 2HH2 ARG 144 1HH1 ARG 144 124.743 -7.613 -7.613 1070 H ILE 145 H ILE 145 133.108 -10.651 -10.651 1071 HA ILE 145 HA ILE 145 132.726 -7.791 -7.791 1072 HB ILE 145 HB ILE 145 132.583 -8.679 -8.679 1073 1HG1 ILE 145 2HG1 ILE 145 135.309 -7.662 -7.662 1074 2HG1 ILE 145 1HG1 ILE 145 134.359 -6.705 -6.705 1075 1HG2 ILE 145 3HG2 ILE 145 134.301 -10.627 -10.627 1076 2HG2 ILE 145 2HG2 ILE 145 135.379 -9.617 -9.617 1077 3HG2 ILE 145 1HG2 ILE 145 133.935 -10.316 -10.316 1078 1HD1 ILE 145 2HD1 ILE 145 132.970 -7.450 -7.450 1079 2HD1 ILE 145 1HD1 ILE 145 134.306 -6.315 -6.315 1080 3HD1 ILE 145 3HD1 ILE 145 132.956 -5.925 -5.925 1081 H ASP 146 H ASP 146 133.888 -7.582 -7.582 1082 HA ASP 146 HA ASP 146 136.216 -8.860 -8.860 1083 1HB ASP 146 2HB ASP 146 136.607 -6.668 -6.668 1084 2HB ASP 146 1HB ASP 146 134.994 -7.354 -7.354 1085 H ALA 147 H ALA 147 137.794 -9.224 -9.224 1086 HA ALA 147 HA ALA 147 138.709 -7.521 -7.521 1087 1HB ALA 147 1HB ALA 147 139.314 -9.972 -9.972 1088 2HB ALA 147 3HB ALA 147 140.664 -9.128 -9.128 1089 3HB ALA 147 2HB ALA 147 140.451 -9.056 -9.056 1090 H ALA 148 H ALA 148 139.624 -5.514 -5.514 1091 HA ALA 148 HA ALA 148 140.745 -3.609 -3.609 1092 1HB ALA 148 3HB ALA 148 142.245 -6.015 -6.015 1093 2HB ALA 148 2HB ALA 148 142.521 -4.810 -4.810 1094 3HB ALA 148 1HB ALA 148 142.850 -4.416 -4.416 1095 H GLU 149 H GLU 149 141.642 -2.829 -2.829 1096 HA GLU 149 HA GLU 149 139.216 -2.603 -2.603 1097 1HB GLU 149 2HB GLU 149 140.911 -0.809 -0.809 1098 2HB GLU 149 1HB GLU 149 142.088 -1.775 -1.775 1099 1HG GLU 149 2HG GLU 149 141.011 -1.467 -1.467 1100 2HG GLU 149 1HG GLU 149 139.446 -1.173 -1.173 1101 H GLY 150 H GLY 150 139.009 -3.336 -3.336 1102 1HA GLY 150 2HA GLY 150 139.380 -4.781 -4.781 1103 2HA GLY 150 1HA GLY 150 140.992 -5.098 -5.098 1104 HA PRO 151 HA PRO 151 137.731 -8.245 -8.245 1105 1HB PRO 151 2HB PRO 151 136.411 -9.393 -9.393 1106 2HB PRO 151 1HB PRO 151 135.766 -8.008 -8.008 1107 1HG PRO 151 2HG PRO 151 137.158 -8.068 -8.068 1108 2HG PRO 151 1HG PRO 151 135.779 -7.089 -7.089 1109 1HD PRO 151 2HD PRO 151 138.324 -6.130 -6.130 1110 2HD PRO 151 1HD PRO 151 137.112 -5.510 -5.510 1111 H SER 152 H SER 152 138.501 -10.376 -10.376 1112 HA SER 152 HA SER 152 139.950 -12.204 -12.204 1113 1HB SER 152 2HB SER 152 139.271 -11.417 -11.417 1114 2HB SER 152 1HB SER 152 139.999 -12.950 -12.950 1115 HG SER 152 HG SER 152 137.416 -11.961 -11.961 1116 H ASP 153 H ASP 153 140.994 -9.255 -9.255 1117 HA ASP 153 HA ASP 153 143.070 -8.193 -8.193 1118 1HB ASP 153 2HB ASP 153 143.899 -11.111 -11.111 1119 2HB ASP 153 1HB ASP 153 144.978 -9.734 -9.734 1120 H ILE 154 H ILE 154 145.274 -8.764 -8.764 1121 HA ILE 154 HA ILE 154 144.234 -9.351 -9.351 1122 HB ILE 154 HB ILE 154 144.669 -6.989 -6.989 1123 1HG1 ILE 154 2HG1 ILE 154 147.255 -7.623 -7.623 1124 2HG1 ILE 154 1HG1 ILE 154 145.888 -8.527 -8.527 1125 1HG2 ILE 154 2HG2 ILE 154 146.958 -8.004 -8.004 1126 2HG2 ILE 154 1HG2 ILE 154 147.324 -6.607 -6.607 1127 3HG2 ILE 154 3HG2 ILE 154 146.036 -6.514 -6.514 1128 1HD1 ILE 154 2HD1 ILE 154 144.684 -6.206 -6.206 1129 2HD1 ILE 154 1HD1 ILE 154 146.319 -5.550 -5.550 1130 3HD1 ILE 154 3HD1 ILE 154 145.853 -6.572 -6.572 1131 HA PRO 155 HA PRO 155 147.536 -12.407 -12.407 1132 1HB PRO 155 2HB PRO 155 146.441 -14.383 -14.383 1133 2HB PRO 155 1HB PRO 155 145.958 -14.093 -14.093 1134 1HG PRO 155 2HG PRO 155 144.612 -13.259 -13.259 1135 2HG PRO 155 1HG PRO 155 143.907 -13.870 -13.870 1136 1HD PRO 155 2HD PRO 155 143.924 -11.239 -11.239 1137 2HD PRO 155 1HD PRO 155 143.975 -11.816 -11.816 1138 H ASP 156 HN ASP 156 149.373 -12.266 -12.266 1139 HA ASP 156 HA ASP 156 150.800 -12.052 -12.052 1140 1HB ASP 156 2HB ASP 156 148.394 -13.078 -13.078 1141 2HB ASP 156 1HB ASP 156 150.096 -13.281 -13.281 Start of MODEL 13 1 1H MET 1 1H MET 1 129.713 13.844 13.844 2 2H MET 1 3H MET 1 129.194 12.282 12.282 3 3H MET 1 2H MET 1 130.333 12.499 12.499 4 HA MET 1 HA MET 1 128.783 12.928 12.928 5 1HB MET 1 2HB MET 1 128.036 11.014 11.014 6 2HB MET 1 1HB MET 1 126.685 12.121 12.121 7 1HG MET 1 2HG MET 1 127.593 11.233 11.233 8 2HG MET 1 1HG MET 1 126.356 10.376 10.376 9 1HE MET 1 3HE MET 1 125.764 10.830 10.830 10 2HE MET 1 2HE MET 1 124.106 11.393 11.393 11 3HE MET 1 1HE MET 1 125.273 12.382 12.382 12 H GLU 2 H GLU 2 129.089 15.359 15.359 13 HA GLU 2 HA GLU 2 128.132 17.518 17.518 14 1HB GLU 2 2HB GLU 2 126.218 15.682 15.682 15 2HB GLU 2 1HB GLU 2 125.391 16.577 16.577 16 1HG GLU 2 2HG GLU 2 126.487 18.665 18.665 17 2HG GLU 2 1HG GLU 2 126.495 17.567 17.567 18 HA PRO 3 HA PRO 3 127.502 16.853 16.853 19 1HB PRO 3 2HB PRO 3 129.891 17.868 17.868 20 2HB PRO 3 1HB PRO 3 129.658 16.155 16.155 21 1HG PRO 3 2HG PRO 3 130.937 18.315 18.315 22 2HG PRO 3 1HG PRO 3 131.358 16.599 16.599 23 1HD PRO 3 2HD PRO 3 129.993 17.720 17.720 24 2HD PRO 3 1HD PRO 3 129.922 16.002 16.002 25 H ALA 4 H ALA 4 127.657 18.711 18.711 26 HA ALA 4 HA ALA 4 127.706 21.424 21.424 27 1HB ALA 4 2HB ALA 4 125.393 20.077 20.077 28 2HB ALA 4 1HB ALA 4 125.387 20.680 20.680 29 3HB ALA 4 3HB ALA 4 125.453 21.812 21.812 30 H ALA 5 H ALA 5 128.019 23.091 23.091 31 HA ALA 5 HA ALA 5 129.116 22.086 22.086 32 1HB ALA 5 3HB ALA 5 129.277 24.704 24.704 33 2HB ALA 5 2HB ALA 5 130.048 24.436 24.436 34 3HB ALA 5 1HB ALA 5 130.546 23.491 23.491 35 H GLY 6 H GLY 6 126.238 22.135 22.135 36 1HA GLY 6 2HA GLY 6 125.575 24.262 24.262 37 2HA GLY 6 1HA GLY 6 124.473 23.868 23.868 38 H SER 7 H SER 7 123.425 21.782 21.782 39 HA SER 7 HA SER 7 122.756 20.840 20.840 40 1HB SER 7 2HB SER 7 121.095 19.641 19.641 41 2HB SER 7 1HB SER 7 121.388 20.998 20.998 42 HG SER 7 HG SER 7 121.540 19.258 19.258 43 H SER 8 H SER 8 125.433 20.455 20.455 44 HA SER 8 HA SER 8 125.860 17.559 17.559 45 1HB SER 8 2HB SER 8 127.413 18.864 18.864 46 2HB SER 8 1HB SER 8 127.591 20.025 20.025 47 HG SER 8 HG SER 8 128.928 17.705 17.705 48 H MET 9 H MET 9 125.607 19.876 19.876 49 HA MET 9 HA MET 9 127.025 18.132 18.132 50 1HB MET 9 2HB MET 9 126.407 20.970 20.970 51 2HB MET 9 1HB MET 9 126.056 20.424 20.424 52 1HG MET 9 2HG MET 9 128.612 19.415 19.415 53 2HG MET 9 1HG MET 9 128.547 21.169 21.169 54 1HE MET 9 1HE MET 9 128.611 22.403 22.403 55 2HE MET 9 3HE MET 9 127.801 22.208 22.208 56 3HE MET 9 2HE MET 9 129.544 21.986 21.986 57 H GLU 10 H GLU 10 123.854 18.723 18.723 58 HA GLU 10 HA GLU 10 122.598 18.000 18.000 59 1HB GLU 10 2HB GLU 10 121.497 18.989 18.989 60 2HB GLU 10 1HB GLU 10 120.534 18.726 18.726 61 1HG GLU 10 2HG GLU 10 122.275 20.296 20.296 62 2HG GLU 10 1HG GLU 10 122.661 20.795 20.795 63 HA PRO 11 HA PRO 11 122.192 13.860 13.860 64 1HB PRO 11 2HB PRO 11 120.641 12.876 12.876 65 2HB PRO 11 1HB PRO 11 122.389 13.142 13.142 66 1HG PRO 11 2HG PRO 11 120.126 14.830 14.830 67 2HG PRO 11 1HG PRO 11 121.659 14.448 14.448 68 1HD PRO 11 2HD PRO 11 121.179 16.805 16.805 69 2HD PRO 11 1HD PRO 11 122.799 16.088 16.088 70 H SER 12 H SER 12 120.728 15.198 15.198 71 HA SER 12 HA SER 12 117.908 15.398 15.398 72 1HB SER 12 2HB SER 12 119.920 15.660 15.660 73 2HB SER 12 1HB SER 12 118.519 14.821 14.821 74 HG SER 12 HG SER 12 118.607 17.330 17.330 75 H ALA 13 H ALA 13 116.550 14.002 14.002 76 HA ALA 13 HA ALA 13 115.593 11.908 11.908 77 1HB ALA 13 1HB ALA 13 118.167 11.686 11.686 78 2HB ALA 13 3HB ALA 13 118.168 10.589 10.589 79 3HB ALA 13 2HB ALA 13 117.127 10.262 10.262 80 H ASP 14 H ASP 14 116.138 12.939 12.939 81 HA ASP 14 HA ASP 14 115.850 10.387 10.387 82 1HB ASP 14 2HB ASP 14 115.943 11.895 11.895 83 2HB ASP 14 1HB ASP 14 117.266 12.230 12.230 84 H TRP 15 H TRP 15 113.741 11.520 11.520 85 HA TRP 15 HA TRP 15 111.503 12.445 12.445 86 1HB TRP 15 2HB TRP 15 111.708 11.026 11.026 87 2HB TRP 15 1HB TRP 15 110.280 11.876 11.876 88 HD1 TRP 15 HD1 TRP 15 113.350 13.665 13.665 89 HE1 TRP 15 HE1 TRP 15 113.771 15.705 15.705 90 HE3 TRP 15 HE3 TRP 15 110.037 12.683 12.683 91 HZ2 TRP 15 HZ2 TRP 15 112.831 16.789 16.789 92 HZ3 TRP 15 HZ3 TRP 15 109.821 14.241 14.241 93 HH2 TRP 15 HH2 TRP 15 111.212 16.291 16.291 94 H LEU 16 H LEU 16 112.797 9.265 9.265 95 HA LEU 16 HA LEU 16 110.496 7.668 7.668 96 1HB LEU 16 2HB LEU 16 112.229 5.896 5.896 97 2HB LEU 16 1HB LEU 16 112.486 6.825 6.825 98 HG LEU 16 HG LEU 16 113.977 8.317 8.317 99 1HD1 LEU 16 2HD1 LEU 16 113.237 6.327 6.327 100 2HD1 LEU 16 1HD1 LEU 16 114.777 5.715 5.715 101 3HD1 LEU 16 3HD1 LEU 16 114.696 7.300 7.300 102 1HD2 LEU 16 2HD2 LEU 16 114.460 6.056 6.056 103 2HD2 LEU 16 1HD2 LEU 16 115.341 7.576 7.576 104 3HD2 LEU 16 3HD2 LEU 16 115.727 6.228 6.228 105 H ALA 17 H ALA 17 113.100 8.987 8.987 106 HA ALA 17 HA ALA 17 112.179 7.683 7.683 107 1HB ALA 17 3HB ALA 17 114.376 9.296 9.296 108 2HB ALA 17 2HB ALA 17 113.800 9.932 9.932 109 3HB ALA 17 1HB ALA 17 114.318 8.252 8.252 110 H THR 18 H THR 18 111.931 10.969 10.969 111 HA THR 18 HA THR 18 110.609 12.225 12.225 112 HB THR 18 HB THR 18 109.646 13.340 13.340 113 HG1 THR 18 HG1 THR 18 112.356 12.922 12.922 114 1HG2 THR 18 1HG2 THR 18 110.680 14.399 14.399 115 2HG2 THR 18 3HG2 THR 18 112.249 14.049 14.049 116 3HG2 THR 18 2HG2 THR 18 111.120 15.129 15.129 117 H ALA 19 H ALA 19 109.289 10.427 10.427 118 HA ALA 19 HA ALA 19 106.514 10.902 10.902 119 1HB ALA 19 1HB ALA 19 107.888 8.755 8.755 120 2HB ALA 19 3HB ALA 19 106.157 9.090 9.090 121 3HB ALA 19 2HB ALA 19 107.294 10.303 10.303 122 H ALA 20 H ALA 20 108.870 8.362 8.362 123 HA ALA 20 HA ALA 20 107.031 6.520 6.520 124 1HB ALA 20 3HB ALA 20 109.642 6.517 6.517 125 2HB ALA 20 2HB ALA 20 109.827 6.734 6.734 126 3HB ALA 20 1HB ALA 20 108.961 5.335 5.335 127 H ALA 21 H ALA 21 109.135 9.093 9.093 128 HA ALA 21 HA ALA 21 108.515 8.742 8.742 129 1HB ALA 21 3HB ALA 21 109.187 11.231 11.231 130 2HB ALA 21 2HB ALA 21 109.306 11.105 11.105 131 3HB ALA 21 1HB ALA 21 110.352 10.125 10.125 132 H ARG 22 H ARG 22 106.752 10.327 10.327 133 HA ARG 22 HA ARG 22 104.800 11.563 11.563 134 1HB ARG 22 2HB ARG 22 105.730 12.532 12.532 135 2HB ARG 22 1HB ARG 22 104.751 11.331 11.331 136 1HG ARG 22 2HG ARG 22 102.740 12.237 12.237 137 2HG ARG 22 1HG ARG 22 103.773 13.551 13.551 138 1HD ARG 22 2HD ARG 22 104.256 13.473 13.473 139 2HD ARG 22 1HD ARG 22 102.509 13.202 13.202 140 HE ARG 22 HE ARG 22 102.825 15.228 15.228 141 1HH1 ARG 22 2HH1 ARG 22 102.552 15.094 15.094 142 2HH1 ARG 22 1HH1 ARG 22 103.321 16.608 16.608 143 1HH2 ARG 22 1HH2 ARG 22 104.503 17.042 17.042 144 2HH2 ARG 22 2HH2 ARG 22 104.421 17.712 17.712 145 H GLY 23 H GLY 23 105.234 8.472 8.472 146 1HA GLY 23 2HA GLY 23 103.871 6.585 6.585 147 2HA GLY 23 1HA GLY 23 102.634 7.607 7.607 148 H ARG 24 H ARG 24 104.257 7.714 7.714 149 HA ARG 24 HA ARG 24 101.529 7.598 7.598 150 1HB ARG 24 2HB ARG 24 103.290 9.720 9.720 151 2HB ARG 24 1HB ARG 24 103.679 8.980 8.980 152 1HG ARG 24 2HG ARG 24 101.916 10.611 10.611 153 2HG ARG 24 1HG ARG 24 101.229 8.998 8.998 154 1HD ARG 24 2HD ARG 24 100.608 9.168 9.168 155 2HD ARG 24 1HD ARG 24 100.894 10.907 10.907 156 HE ARG 24 HE ARG 24 98.913 11.010 11.010 157 1HH1 ARG 24 1HH2 ARG 24 98.339 8.256 8.256 158 2HH1 ARG 24 2HH2 ARG 24 97.807 7.357 7.357 159 1HH2 ARG 24 2HH1 ARG 24 98.997 9.659 9.659 160 2HH2 ARG 24 1HH1 ARG 24 98.186 8.144 8.144 161 H VAL 25 H VAL 25 102.053 5.211 5.211 162 HA VAL 25 HA VAL 25 104.197 4.010 4.010 163 HB VAL 25 HB VAL 25 101.244 3.297 3.297 164 1HG1 VAL 25 2HG1 VAL 25 103.770 1.710 1.710 165 2HG1 VAL 25 1HG1 VAL 25 102.224 0.946 0.946 166 3HG1 VAL 25 3HG1 VAL 25 102.400 1.930 1.930 167 1HG2 VAL 25 2HG2 VAL 25 103.034 3.509 3.509 168 2HG2 VAL 25 1HG2 VAL 25 101.410 2.821 2.821 169 3HG2 VAL 25 3HG2 VAL 25 102.806 1.788 1.788 170 H GLU 26 H GLU 26 101.138 5.246 5.246 171 HA GLU 26 HA GLU 26 101.472 4.575 4.575 172 1HB GLU 26 2HB GLU 26 100.289 6.973 6.973 173 2HB GLU 26 1HB GLU 26 100.132 6.752 6.752 174 1HG GLU 26 2HG GLU 26 99.460 4.290 4.290 175 2HG GLU 26 1HG GLU 26 98.521 5.617 5.617 176 H GLU 27 H GLU 27 102.340 7.756 7.756 177 HA GLU 27 HA GLU 27 103.762 8.786 8.786 178 1HB GLU 27 2HB GLU 27 103.480 9.252 9.252 179 2HB GLU 27 1HB GLU 27 105.057 9.745 9.745 180 1HG GLU 27 2HG GLU 27 102.484 10.540 10.540 181 2HG GLU 27 1HG GLU 27 103.198 11.510 11.510 182 H VAL 28 H VAL 28 104.873 6.666 6.666 183 HA VAL 28 HA VAL 28 107.666 6.685 6.685 184 HB VAL 28 HB VAL 28 106.075 4.556 4.556 185 1HG1 VAL 28 3HG1 VAL 28 108.867 4.928 4.928 186 2HG1 VAL 28 2HG1 VAL 28 108.642 4.992 4.992 187 3HG1 VAL 28 1HG1 VAL 28 108.092 3.584 3.584 188 1HG2 VAL 28 2HG2 VAL 28 106.094 7.195 7.195 189 2HG2 VAL 28 1HG2 VAL 28 105.980 5.868 5.868 190 3HG2 VAL 28 3HG2 VAL 28 107.540 6.622 6.622 191 H ARG 29 H ARG 29 105.131 4.167 4.167 192 HA ARG 29 HA ARG 29 106.474 2.287 2.287 193 1HB ARG 29 2HB ARG 29 103.652 3.363 3.363 194 2HB ARG 29 1HB ARG 29 104.210 1.813 1.813 195 1HG ARG 29 2HG ARG 29 104.925 2.131 2.131 196 2HG ARG 29 1HG ARG 29 103.187 2.292 2.292 197 1HD ARG 29 2HD ARG 29 104.831 -0.002 -0.002 198 2HD ARG 29 1HD ARG 29 103.902 -0.089 -0.089 199 HE ARG 29 HE ARG 29 102.765 -0.078 -0.078 200 1HH1 ARG 29 1HH2 ARG 29 101.534 2.328 2.328 201 2HH1 ARG 29 2HH2 ARG 29 100.160 1.665 1.665 202 1HH2 ARG 29 2HH1 ARG 29 101.323 -1.602 -1.602 203 2HH2 ARG 29 1HH1 ARG 29 100.040 -0.562 -0.562 204 H ALA 30 H ALA 30 104.858 5.253 5.253 205 HA ALA 30 HA ALA 30 105.654 4.812 4.812 206 1HB ALA 30 1HB ALA 30 104.417 7.034 7.034 207 2HB ALA 30 3HB ALA 30 104.841 7.285 7.285 208 3HB ALA 30 2HB ALA 30 103.666 6.046 6.046 209 H LEU 31 H LEU 31 106.849 6.734 6.734 210 HA LEU 31 HA LEU 31 108.814 8.281 8.281 211 1HB LEU 31 2HB LEU 31 108.257 7.356 7.356 212 2HB LEU 31 1HB LEU 31 109.869 7.992 7.992 213 HG LEU 31 HG LEU 31 107.287 9.433 9.433 214 1HD1 LEU 31 3HD1 LEU 31 108.849 9.218 9.218 215 2HD1 LEU 31 2HD1 LEU 31 108.722 10.886 10.886 216 3HD1 LEU 31 1HD1 LEU 31 107.263 9.943 9.943 217 1HD2 LEU 31 1HD2 LEU 31 110.222 10.071 10.071 218 2HD2 LEU 31 3HD2 LEU 31 108.939 10.219 10.219 219 3HD2 LEU 31 2HD2 LEU 31 109.026 11.361 11.361 220 H LEU 32 H LEU 32 109.484 5.501 5.501 221 HA LEU 32 HA LEU 32 112.101 4.908 4.908 222 1HB LEU 32 2HB LEU 32 110.361 3.841 3.841 223 2HB LEU 32 1HB LEU 32 110.010 2.781 2.781 224 HG LEU 32 HG LEU 32 111.644 1.542 1.542 225 1HD1 LEU 32 1HD1 LEU 32 113.306 3.466 3.466 226 2HD1 LEU 32 3HD1 LEU 32 113.817 1.872 1.872 227 3HD1 LEU 32 2HD1 LEU 32 112.492 2.028 2.028 228 1HD2 LEU 32 2HD2 LEU 32 112.817 4.180 4.180 229 2HD2 LEU 32 1HD2 LEU 32 112.074 2.941 2.941 230 3HD2 LEU 32 3HD2 LEU 32 113.638 2.640 2.640 231 H GLU 33 H GLU 33 109.181 3.852 3.852 232 HA GLU 33 HA GLU 33 110.679 2.451 2.451 233 1HB GLU 33 2HB GLU 33 108.131 2.430 2.430 234 2HB GLU 33 1HB GLU 33 107.882 3.210 3.210 235 1HG GLU 33 2HG GLU 33 108.599 1.347 1.347 236 2HG GLU 33 1HG GLU 33 109.560 0.727 0.727 237 H ALA 34 H ALA 34 109.652 5.730 5.730 238 HA ALA 34 HA ALA 34 109.515 6.483 6.483 239 1HB ALA 34 3HB ALA 34 109.546 7.948 7.948 240 2HB ALA 34 2HB ALA 34 109.477 8.801 8.801 241 3HB ALA 34 1HB ALA 34 108.180 7.699 7.699 242 H GLY 35 H GLY 35 112.107 5.880 5.880 243 1HA GLY 35 2HA GLY 35 114.296 6.054 6.054 244 2HA GLY 35 1HA GLY 35 113.868 7.756 7.756 245 H ALA 36 H ALA 36 112.838 6.799 6.799 246 HA ALA 36 HA ALA 36 114.666 8.330 8.330 247 1HB ALA 36 3HB ALA 36 112.424 6.762 6.762 248 2HB ALA 36 2HB ALA 36 113.675 5.925 5.925 249 3HB ALA 36 1HB ALA 36 113.322 7.622 7.622 250 H LEU 37 H LEU 37 116.454 7.644 7.644 251 HA LEU 37 HA LEU 37 118.190 5.642 5.642 252 1HB LEU 37 2HB LEU 37 118.374 7.766 7.766 253 2HB LEU 37 1HB LEU 37 119.651 6.552 6.552 254 HG LEU 37 HG LEU 37 118.711 8.247 8.247 255 1HD1 LEU 37 3HD1 LEU 37 120.328 8.981 8.981 256 2HD1 LEU 37 2HD1 LEU 37 121.424 8.734 8.734 257 3HD1 LEU 37 1HD1 LEU 37 120.091 9.878 9.878 258 1HD2 LEU 37 1HD2 LEU 37 120.775 6.105 6.105 259 2HD2 LEU 37 3HD2 LEU 37 119.683 6.360 6.360 260 3HD2 LEU 37 2HD2 LEU 37 121.098 7.394 7.394 261 HA PRO 38 HA PRO 38 117.271 2.471 2.471 262 1HB PRO 38 2HB PRO 38 119.575 1.003 1.003 263 2HB PRO 38 1HB PRO 38 118.360 1.019 1.019 264 1HG PRO 38 2HG PRO 38 120.977 2.398 2.398 265 2HG PRO 38 1HG PRO 38 120.129 1.733 1.733 266 1HD PRO 38 2HD PRO 38 120.237 4.416 4.416 267 2HD PRO 38 1HD PRO 38 119.028 3.678 3.678 268 H ASN 39 H ASN 39 120.685 3.551 3.551 269 HA ASN 39 HA ASN 39 120.383 3.487 3.487 270 1HB ASN 39 2HB ASN 39 122.809 3.484 3.484 271 2HB ASN 39 1HB ASN 39 122.870 3.376 3.376 272 1HD2 ASN 39 1HD2 ASN 39 121.280 1.490 1.490 273 2HD2 ASN 39 2HD2 ASN 39 121.409 0.026 0.026 274 H ALA 40 H ALA 40 119.298 5.667 5.667 275 HA ALA 40 HA ALA 40 121.027 7.911 7.911 276 1HB ALA 40 3HB ALA 40 118.298 7.251 7.251 277 2HB ALA 40 2HB ALA 40 118.348 8.604 8.604 278 3HB ALA 40 1HB ALA 40 119.069 8.764 8.764 279 HA PRO 41 HA PRO 41 121.744 8.623 8.623 280 1HB PRO 41 2HB PRO 41 123.229 10.901 10.901 281 2HB PRO 41 1HB PRO 41 123.888 9.277 9.277 282 1HG PRO 41 2HG PRO 41 122.959 11.308 11.308 283 2HG PRO 41 1HG PRO 41 124.324 10.186 10.186 284 1HD PRO 41 2HD PRO 41 121.944 9.791 9.791 285 2HD PRO 41 1HD PRO 41 123.029 8.474 8.474 286 H ASN 42 H ASN 42 120.896 10.122 10.122 287 HA ASN 42 HA ASN 42 119.077 12.227 12.227 288 1HB ASN 42 2HB ASN 42 118.659 10.683 10.683 289 2HB ASN 42 1HB ASN 42 117.464 11.578 11.578 290 1HD2 ASN 42 1HD2 ASN 42 118.052 10.575 10.575 291 2HD2 ASN 42 2HD2 ASN 42 117.679 8.919 8.919 292 H SER 43 H SER 43 118.553 13.916 13.916 293 HA SER 43 HA SER 43 121.098 14.877 14.877 294 1HB SER 43 2HB SER 43 118.649 16.331 16.331 295 2HB SER 43 1HB SER 43 120.057 16.882 16.882 296 HG SER 43 HG SER 43 119.198 15.780 15.780 297 H TYR 44 H TYR 44 118.680 12.794 12.794 298 HA TYR 44 HA TYR 44 118.874 13.642 13.642 299 1HB TYR 44 2HB TYR 44 117.196 11.438 11.438 300 2HB TYR 44 1HB TYR 44 116.917 12.282 12.282 301 HD1 TYR 44 HD1 TYR 44 117.731 15.078 15.078 302 HD2 TYR 44 HD2 TYR 44 114.926 11.980 11.980 303 HE1 TYR 44 HE1 TYR 44 116.330 16.734 16.734 304 HE2 TYR 44 HE2 TYR 44 113.527 13.641 13.641 305 HH TYR 44 HH TYR 44 113.632 16.774 16.774 306 H GLY 45 H GLY 45 120.492 11.609 11.609 307 1HA GLY 45 2HA GLY 45 121.932 9.795 9.795 308 2HA GLY 45 1HA GLY 45 122.080 10.368 10.368 309 H ARG 46 H ARG 46 118.986 9.421 9.421 310 HA ARG 46 HA ARG 46 119.045 7.006 7.006 311 1HB ARG 46 2HB ARG 46 117.387 9.325 9.325 312 2HB ARG 46 1HB ARG 46 116.390 7.950 7.950 313 1HG ARG 46 2HG ARG 46 117.726 6.824 6.824 314 2HG ARG 46 1HG ARG 46 117.733 8.504 8.504 315 1HD ARG 46 2HD ARG 46 115.121 7.666 7.666 316 2HD ARG 46 1HD ARG 46 115.631 6.746 6.746 317 HE ARG 46 HE ARG 46 116.051 8.966 8.966 318 1HH1 ARG 46 2HH1 ARG 46 115.197 9.793 9.793 319 2HH1 ARG 46 1HH1 ARG 46 113.861 10.811 10.811 320 1HH2 ARG 46 1HH2 ARG 46 113.837 9.840 9.840 321 2HH2 ARG 46 2HH2 ARG 46 113.086 10.834 10.834 322 H ARG 47 H ARG 47 119.830 6.926 6.926 323 HA ARG 47 HA ARG 47 119.375 5.724 5.724 324 1HB ARG 47 2HB ARG 47 117.538 4.122 4.122 325 2HB ARG 47 1HB ARG 47 118.606 3.537 3.537 326 1HG ARG 47 2HG ARG 47 119.456 4.682 4.682 327 2HG ARG 47 1HG ARG 47 119.587 3.000 3.000 328 1HD ARG 47 2HD ARG 47 121.343 3.447 3.447 329 2HD ARG 47 1HD ARG 47 120.907 5.159 5.159 330 HE ARG 47 HE ARG 47 121.570 4.522 4.522 331 1HH1 ARG 47 2HH1 ARG 47 123.522 3.742 3.742 332 2HH1 ARG 47 1HH1 ARG 47 124.747 4.929 4.929 333 1HH2 ARG 47 1HH2 ARG 47 122.873 6.654 6.654 334 2HH2 ARG 47 2HH2 ARG 47 124.384 6.572 6.572 335 HA PRO 48 HA PRO 48 115.501 6.840 6.840 336 1HB PRO 48 2HB PRO 48 114.965 4.791 4.791 337 2HB PRO 48 1HB PRO 48 116.264 5.961 5.961 338 1HG PRO 48 2HG PRO 48 116.418 3.175 3.175 339 2HG PRO 48 1HG PRO 48 117.534 4.064 4.064 340 1HD PRO 48 2HD PRO 48 117.925 3.614 3.614 341 2HD PRO 48 1HD PRO 48 118.685 4.926 4.926 342 H ILE 49 H ILE 49 115.702 3.799 3.799 343 HA ILE 49 HA ILE 49 112.723 3.578 3.578 344 HB ILE 49 HB ILE 49 114.988 1.677 1.677 345 1HG1 ILE 49 2HG1 ILE 49 112.992 1.852 1.852 346 2HG1 ILE 49 1HG1 ILE 49 114.750 1.922 1.922 347 1HG2 ILE 49 2HG2 ILE 49 112.383 1.686 1.686 348 2HG2 ILE 49 1HG2 ILE 49 112.339 0.492 0.492 349 3HG2 ILE 49 3HG2 ILE 49 113.514 0.336 0.336 350 1HD1 ILE 49 3HD1 ILE 49 114.879 -0.414 -0.414 351 2HD1 ILE 49 2HD1 ILE 49 113.117 -0.484 -0.484 352 3HD1 ILE 49 1HD1 ILE 49 113.953 -0.306 -0.306 353 H GLN 50 H GLN 50 115.585 3.517 3.517 354 HA GLN 50 HA GLN 50 114.344 3.369 3.369 355 1HB GLN 50 2HB GLN 50 116.841 4.186 4.186 356 2HB GLN 50 1HB GLN 50 116.392 5.366 5.366 357 1HG GLN 50 2HG GLN 50 115.763 2.898 2.898 358 2HG GLN 50 1HG GLN 50 117.296 2.619 2.619 359 1HE2 GLN 50 1HE2 GLN 50 119.187 3.769 3.769 360 2HE2 GLN 50 2HE2 GLN 50 119.161 4.669 4.669 361 H VAL 51 H VAL 51 114.282 6.053 6.053 362 HA VAL 51 HA VAL 51 113.066 7.858 7.858 363 HB VAL 51 HB VAL 51 114.958 8.574 8.574 364 1HG1 VAL 51 2HG1 VAL 51 112.874 8.186 8.186 365 2HG1 VAL 51 1HG1 VAL 51 114.413 9.016 9.016 366 3HG1 VAL 51 3HG1 VAL 51 114.388 7.298 7.298 367 1HG2 VAL 51 2HG2 VAL 51 112.398 9.912 9.912 368 2HG2 VAL 51 1HG2 VAL 51 114.029 10.578 10.578 369 3HG2 VAL 51 3HG2 VAL 51 113.200 10.475 10.475 370 H MET 52 H MET 52 112.028 5.544 5.544 371 HA MET 52 HA MET 52 109.758 6.915 6.915 372 1HB MET 52 2HB MET 52 109.379 4.831 4.831 373 2HB MET 52 1HB MET 52 111.103 4.737 4.737 374 1HG MET 52 2HG MET 52 110.625 3.489 3.489 375 2HG MET 52 1HG MET 52 108.900 3.598 3.598 376 1HE MET 52 3HE MET 52 109.169 1.366 1.366 377 2HE MET 52 2HE MET 52 108.814 0.174 0.174 378 3HE MET 52 1HE MET 52 110.447 0.297 0.297 379 H MET 53 H MET 53 107.629 6.971 6.971 380 HA MET 53 HA MET 53 107.102 6.804 6.804 381 1HB MET 53 2HB MET 53 105.789 7.581 7.581 382 2HB MET 53 1HB MET 53 104.908 6.110 6.110 383 1HG MET 53 2HG MET 53 104.970 7.174 7.174 384 2HG MET 53 1HG MET 53 105.127 8.670 8.670 385 1HE MET 53 1HE MET 53 103.685 5.343 5.343 386 2HE MET 53 3HE MET 53 101.927 5.521 5.521 387 3HE MET 53 2HE MET 53 102.725 5.547 5.547 388 H MET 54 H MET 54 107.041 4.968 4.968 389 HA MET 54 HA MET 54 107.060 2.327 2.327 390 1HB MET 54 2HB MET 54 107.697 3.570 3.570 391 2HB MET 54 1HB MET 54 106.888 2.015 2.015 392 1HG MET 54 2HG MET 54 109.388 1.820 1.820 393 2HG MET 54 1HG MET 54 108.525 0.913 0.913 394 1HE MET 54 1HE MET 54 110.245 0.607 0.607 395 2HE MET 54 3HE MET 54 111.236 1.821 1.821 396 3HE MET 54 2HE MET 54 111.554 1.409 1.409 397 H GLY 55 H GLY 55 104.667 3.627 3.627 398 1HA GLY 55 2HA GLY 55 102.699 2.001 2.001 399 2HA GLY 55 1HA GLY 55 102.305 3.606 3.606 400 H SER 56 H SER 56 104.385 2.211 2.211 401 HA SER 56 HA SER 56 102.252 0.852 0.852 402 1HB SER 56 2HB SER 56 103.764 3.339 3.339 403 2HB SER 56 1HB SER 56 103.752 2.219 2.219 404 HG SER 56 HG SER 56 101.786 3.800 3.800 405 H ALA 57 H ALA 57 103.379 -1.170 -1.170 406 HA ALA 57 HA ALA 57 106.178 -1.639 -1.639 407 1HB ALA 57 1HB ALA 57 103.704 -3.115 -3.115 408 2HB ALA 57 3HB ALA 57 104.825 -4.022 -4.022 409 3HB ALA 57 2HB ALA 57 105.335 -3.459 -3.459 410 H ARG 58 H ARG 58 103.717 -1.008 -1.008 411 HA ARG 58 HA ARG 58 104.639 -2.592 -2.592 412 1HB ARG 58 2HB ARG 58 102.722 -0.456 -0.456 413 2HB ARG 58 1HB ARG 58 103.343 -0.366 -0.366 414 1HG ARG 58 2HG ARG 58 102.159 -2.176 -2.176 415 2HG ARG 58 1HG ARG 58 102.683 -3.105 -3.105 416 1HD ARG 58 2HD ARG 58 100.449 -2.921 -2.921 417 2HD ARG 58 1HD ARG 58 100.961 -1.332 -1.332 418 HE ARG 58 HE ARG 58 100.300 -1.378 -1.378 419 1HH1 ARG 58 1HH2 ARG 58 100.035 0.719 0.719 420 2HH1 ARG 58 2HH2 ARG 58 98.323 0.973 0.973 421 1HH2 ARG 58 2HH1 ARG 58 97.721 -1.784 -1.784 422 2HH2 ARG 58 1HH1 ARG 58 97.013 -0.440 -0.440 423 H VAL 59 H VAL 59 105.123 0.850 0.850 424 HA VAL 59 HA VAL 59 106.595 1.791 1.791 425 HB VAL 59 HB VAL 59 107.221 2.247 2.247 426 1HG1 VAL 59 2HG1 VAL 59 108.153 3.393 3.393 427 2HG1 VAL 59 1HG1 VAL 59 107.517 4.611 4.611 428 3HG1 VAL 59 3HG1 VAL 59 108.833 3.553 3.553 429 1HG2 VAL 59 2HG2 VAL 59 104.803 2.673 2.673 430 2HG2 VAL 59 1HG2 VAL 59 105.247 3.346 3.346 431 3HG2 VAL 59 3HG2 VAL 59 105.575 4.255 4.255 432 H ALA 60 H ALA 60 108.214 0.405 0.405 433 HA ALA 60 HA ALA 60 110.808 0.173 0.173 434 1HB ALA 60 1HB ALA 60 109.959 -0.352 -0.352 435 2HB ALA 60 3HB ALA 60 109.349 -1.879 -1.879 436 3HB ALA 60 2HB ALA 60 111.081 -1.551 -1.551 437 H GLU 61 H GLU 61 108.058 -2.054 -2.054 438 HA GLU 61 HA GLU 61 109.262 -4.222 -4.222 439 1HB GLU 61 2HB GLU 61 106.770 -3.536 -3.536 440 2HB GLU 61 1HB GLU 61 106.692 -3.086 -3.086 441 1HG GLU 61 2HG GLU 61 107.798 -5.768 -5.768 442 2HG GLU 61 1HG GLU 61 106.054 -5.526 -5.526 443 H LEU 62 H LEU 62 108.657 -0.974 -0.974 444 HA LEU 62 HA LEU 62 109.317 -1.685 -1.685 445 1HB LEU 62 2HB LEU 62 107.599 -0.106 -0.106 446 2HB LEU 62 1HB LEU 62 108.351 0.683 0.683 447 HG LEU 62 HG LEU 62 110.212 1.370 1.370 448 1HD1 LEU 62 1HD1 LEU 62 108.655 -0.257 -0.257 449 2HD1 LEU 62 3HD1 LEU 62 108.680 1.391 1.391 450 3HD1 LEU 62 2HD1 LEU 62 110.194 0.541 0.541 451 1HD2 LEU 62 2HD2 LEU 62 107.476 2.393 2.393 452 2HD2 LEU 62 1HD2 LEU 62 109.009 3.253 3.253 453 3HD2 LEU 62 3HD2 LEU 62 108.311 2.941 2.941 454 H LEU 63 H LEU 63 110.552 0.537 0.537 455 HA LEU 63 HA LEU 63 112.973 1.285 1.285 456 1HB LEU 63 2HB LEU 63 111.918 1.053 1.053 457 2HB LEU 63 1HB LEU 63 113.645 1.349 1.349 458 HG LEU 63 HG LEU 63 111.552 2.988 2.988 459 1HD1 LEU 63 3HD1 LEU 63 112.564 3.170 3.170 460 2HD1 LEU 63 2HD1 LEU 63 112.390 4.676 4.676 461 3HD1 LEU 63 1HD1 LEU 63 110.993 3.625 3.625 462 1HD2 LEU 63 1HD2 LEU 63 114.082 2.848 2.848 463 2HD2 LEU 63 3HD2 LEU 63 113.328 4.436 4.436 464 3HD2 LEU 63 2HD2 LEU 63 114.335 3.824 3.824 465 H LEU 64 H LEU 64 112.317 -1.447 -1.447 466 HA LEU 64 HA LEU 64 114.999 -2.528 -2.528 467 1HB LEU 64 2HB LEU 64 112.582 -2.946 -2.946 468 2HB LEU 64 1HB LEU 64 112.872 -4.453 -4.453 469 HG LEU 64 HG LEU 64 114.853 -3.046 -3.046 470 1HD1 LEU 64 2HD1 LEU 64 112.672 -4.627 -4.627 471 2HD1 LEU 64 1HD1 LEU 64 114.011 -5.774 -5.774 472 3HD1 LEU 64 3HD1 LEU 64 114.094 -4.347 -4.347 473 1HD2 LEU 64 2HD2 LEU 64 115.040 -5.301 -5.301 474 2HD2 LEU 64 1HD2 LEU 64 116.289 -4.181 -4.181 475 3HD2 LEU 64 3HD2 LEU 64 115.823 -5.546 -5.546 476 H LEU 65 H LEU 65 111.958 -3.180 -3.180 477 HA LEU 65 HA LEU 65 112.710 -5.405 -5.405 478 1HB LEU 65 2HB LEU 65 110.470 -4.775 -4.775 479 2HB LEU 65 1HB LEU 65 110.860 -3.061 -3.061 480 HG LEU 65 HG LEU 65 111.743 -3.486 -3.486 481 1HD1 LEU 65 1HD1 LEU 65 112.159 -5.912 -5.912 482 2HD1 LEU 65 3HD1 LEU 65 110.422 -6.184 -6.184 483 3HD1 LEU 65 2HD1 LEU 65 111.119 -5.596 -5.596 484 1HD2 LEU 65 3HD2 LEU 65 108.919 -3.771 -3.771 485 2HD2 LEU 65 2HD2 LEU 65 109.647 -2.583 -2.583 486 3HD2 LEU 65 1HD2 LEU 65 109.253 -4.196 -4.196 487 H HIS 66 H HIS 66 113.451 -1.978 -1.978 488 HA HIS 66 HA HIS 66 114.810 -2.391 -2.391 489 1HB HIS 66 2HB HIS 66 113.693 -0.268 -0.268 490 2HB HIS 66 1HB HIS 66 115.195 0.175 0.175 491 HD1 HIS 66 HD1 HIS 66 114.852 1.147 1.147 492 HD2 HIS 66 HD2 HIS 66 111.876 -1.605 -1.605 493 HE1 HIS 66 HE1 HIS 66 113.201 1.157 1.157 494 H GLY 67 H GLY 67 115.609 -1.335 -1.335 495 1HA GLY 67 2HA GLY 67 117.803 -2.622 -2.622 496 2HA GLY 67 1HA GLY 67 118.464 -1.643 -1.643 497 H ALA 68 H ALA 68 116.408 -1.122 -1.122 498 HA ALA 68 HA ALA 68 117.390 1.615 1.615 499 1HB ALA 68 1HB ALA 68 115.284 -0.043 -0.043 500 2HB ALA 68 3HB ALA 68 116.185 0.453 0.453 501 3HB ALA 68 2HB ALA 68 115.517 1.670 1.670 502 H GLU 69 H GLU 69 117.731 1.492 1.492 503 HA GLU 69 HA GLU 69 120.368 0.067 0.067 504 1HB GLU 69 2HB GLU 69 119.729 2.795 2.795 505 2HB GLU 69 1HB GLU 69 120.009 2.281 2.281 506 1HG GLU 69 2HG GLU 69 122.201 1.452 1.452 507 2HG GLU 69 1HG GLU 69 121.909 1.621 1.621 508 HA PRO 70 HA PRO 70 117.337 -1.325 -1.325 509 1HB PRO 70 2HB PRO 70 117.149 -3.948 -3.948 510 2HB PRO 70 1HB PRO 70 116.043 -2.688 -2.688 511 1HG PRO 70 2HG PRO 70 118.426 -3.883 -3.883 512 2HG PRO 70 1HG PRO 70 116.849 -3.457 -3.457 513 1HD PRO 70 2HD PRO 70 119.038 -1.903 -1.903 514 2HD PRO 70 1HD PRO 70 117.390 -1.241 -1.241 515 H ASN 71 H ASN 71 120.376 -2.275 -2.275 516 HA ASN 71 HA ASN 71 121.087 -4.021 -4.021 517 1HB ASN 71 2HB ASN 71 121.539 -4.399 -4.399 518 2HB ASN 71 1HB ASN 71 122.833 -3.220 -3.220 519 1HD2 ASN 71 1HD2 ASN 71 124.754 -4.394 -4.394 520 2HD2 ASN 71 2HD2 ASN 71 124.973 -5.759 -5.759 521 H CYS 72 H CYS 72 122.760 -1.370 -1.370 522 HA CYS 72 HA CYS 72 124.617 -0.721 -0.721 523 1HB CYS 72 2HB CYS 72 123.732 0.236 0.236 524 2HB CYS 72 1HB CYS 72 123.662 1.623 1.623 525 HG CYS 72 HG CYS 72 126.156 1.625 1.625 526 H ALA 73 H ALA 73 124.640 0.873 0.873 527 HA ALA 73 HA ALA 73 121.969 1.954 1.954 528 1HB ALA 73 2HB ALA 73 124.172 0.692 0.692 529 2HB ALA 73 1HB ALA 73 122.736 1.460 1.460 530 3HB ALA 73 3HB ALA 73 122.579 0.011 0.011 531 H ASP 74 H ASP 74 123.204 3.291 3.291 532 HA ASP 74 HA ASP 74 124.582 5.491 5.491 533 1HB ASP 74 2HB ASP 74 122.514 5.309 5.309 534 2HB ASP 74 1HB ASP 74 123.890 6.028 6.028 535 HA PRO 75 HA PRO 75 128.291 4.195 4.195 536 1HB PRO 75 2HB PRO 75 129.870 6.344 6.344 537 2HB PRO 75 1HB PRO 75 129.471 5.068 5.068 538 1HG PRO 75 2HG PRO 75 128.352 7.801 7.801 539 2HG PRO 75 1HG PRO 75 128.644 6.834 6.834 540 1HD PRO 75 2HD PRO 75 126.176 7.191 7.191 541 2HD PRO 75 1HD PRO 75 126.599 5.842 5.842 542 H ALA 76 H ALA 76 126.292 6.765 6.765 543 HA ALA 76 HA ALA 76 128.039 7.810 7.810 544 1HB ALA 76 2HB ALA 76 125.491 8.472 8.472 545 2HB ALA 76 1HB ALA 76 125.505 8.824 8.824 546 3HB ALA 76 3HB ALA 76 126.715 9.550 9.550 547 H THR 77 H THR 77 125.335 5.599 5.599 548 HA THR 77 HA THR 77 125.740 4.563 4.563 549 HB THR 77 HB THR 77 122.906 4.929 4.929 550 HG1 THR 77 HG1 THR 77 123.627 7.380 7.380 551 1HG2 THR 77 2HG2 THR 77 124.558 4.680 4.680 552 2HG2 THR 77 1HG2 THR 77 124.202 6.407 6.407 553 3HG2 THR 77 3HG2 THR 77 122.885 5.233 5.233 554 H LEU 78 H LEU 78 125.903 3.747 3.747 555 HA LEU 78 HA LEU 78 125.239 1.969 1.969 556 1HB LEU 78 2HB LEU 78 126.298 1.191 1.191 557 2HB LEU 78 1HB LEU 78 125.156 -0.035 -0.035 558 HG LEU 78 HG LEU 78 127.690 0.899 0.899 559 1HD1 LEU 78 3HD1 LEU 78 126.462 -1.788 -1.788 560 2HD1 LEU 78 2HD1 LEU 78 127.958 -1.592 -1.592 561 3HD1 LEU 78 1HD1 LEU 78 127.865 -1.042 -1.042 562 1HD2 LEU 78 3HD2 LEU 78 125.182 -0.103 -0.103 563 2HD2 LEU 78 2HD2 LEU 78 126.412 0.986 0.986 564 3HD2 LEU 78 1HD2 LEU 78 126.711 -0.752 -0.752 565 H THR 79 H THR 79 122.909 3.408 3.408 566 HA THR 79 HA THR 79 120.941 1.496 1.496 567 HB THR 79 HB THR 79 120.590 4.160 4.160 568 HG1 THR 79 HG1 THR 79 120.849 3.574 3.574 569 1HG2 THR 79 2HG2 THR 79 118.664 2.373 2.373 570 2HG2 THR 79 1HG2 THR 79 118.781 3.208 3.208 571 3HG2 THR 79 3HG2 THR 79 118.405 4.115 4.115 572 H ARG 80 H ARG 80 120.722 -0.267 -0.267 573 HA ARG 80 HA ARG 80 120.673 -0.040 -0.040 574 1HB ARG 80 2HB ARG 80 120.707 -2.021 -2.021 575 2HB ARG 80 1HB ARG 80 119.255 -2.330 -2.330 576 1HG ARG 80 2HG ARG 80 120.686 -3.426 -3.426 577 2HG ARG 80 1HG ARG 80 121.062 -1.806 -1.806 578 1HD ARG 80 2HD ARG 80 122.697 -2.006 -2.006 579 2HD ARG 80 1HD ARG 80 122.742 -3.651 -3.651 580 HE ARG 80 HE ARG 80 122.981 -1.528 -1.528 581 1HH1 ARG 80 1HH2 ARG 80 124.155 -4.477 -4.477 582 2HH1 ARG 80 2HH2 ARG 80 125.828 -4.123 -4.123 583 1HH2 ARG 80 2HH1 ARG 80 125.331 -0.709 -0.709 584 2HH2 ARG 80 1HH1 ARG 80 126.491 -1.995 -1.995 585 HA PRO 81 HA PRO 81 116.455 1.057 1.057 586 1HB PRO 81 2HB PRO 81 115.701 -0.537 -0.537 587 2HB PRO 81 1HB PRO 81 116.796 0.849 0.849 588 1HG PRO 81 2HG PRO 81 117.420 -2.051 -2.051 589 2HG PRO 81 1HG PRO 81 118.174 -0.781 -0.781 590 1HD PRO 81 2HD PRO 81 119.257 -1.802 -1.802 591 2HD PRO 81 1HD PRO 81 119.604 -0.173 -0.173 592 H VAL 82 H VAL 82 117.273 -2.254 -2.254 593 HA VAL 82 HA VAL 82 114.763 -3.530 -3.530 594 HB VAL 82 HB VAL 82 117.204 -3.743 -3.743 595 1HG1 VAL 82 2HG1 VAL 82 115.013 -4.951 -4.951 596 2HG1 VAL 82 1HG1 VAL 82 115.309 -5.954 -5.954 597 3HG1 VAL 82 3HG1 VAL 82 116.478 -5.929 -5.929 598 1HG2 VAL 82 2HG2 VAL 82 116.900 -4.194 -4.194 599 2HG2 VAL 82 1HG2 VAL 82 118.321 -4.473 -4.473 600 3HG2 VAL 82 3HG2 VAL 82 117.127 -5.753 -5.753 601 H HIS 83 H HIS 83 116.358 -1.210 -1.210 602 HA HIS 83 HA HIS 83 114.601 -1.554 -1.554 603 1HB HIS 83 2HB HIS 83 116.386 0.725 0.725 604 2HB HIS 83 1HB HIS 83 115.678 0.592 0.592 605 HD2 HIS 83 HD2 HIS 83 117.366 -0.759 -0.759 606 HE1 HIS 83 HE1 HIS 83 119.453 -3.060 -3.060 607 HE2 HIS 83 HE2 HIS 83 119.251 -2.480 -2.480 608 H ASP 84 H ASP 84 114.743 0.696 0.696 609 HA ASP 84 HA ASP 84 112.661 2.470 2.470 610 1HB ASP 84 2HB ASP 84 114.314 2.111 2.111 611 2HB ASP 84 1HB ASP 84 112.943 1.249 1.249 612 H ALA 85 H ALA 85 112.390 -0.742 -0.742 613 HA ALA 85 HA ALA 85 109.558 -0.772 -0.772 614 1HB ALA 85 2HB ALA 85 111.650 -2.917 -2.917 615 2HB ALA 85 1HB ALA 85 109.983 -3.289 -3.289 616 3HB ALA 85 3HB ALA 85 111.008 -2.371 -2.371 617 H ALA 86 H ALA 86 111.291 -2.694 -2.694 618 HA ALA 86 HA ALA 86 109.037 -3.168 -3.168 619 1HB ALA 86 2HB ALA 86 111.790 -3.745 -3.745 620 2HB ALA 86 1HB ALA 86 111.529 -2.977 -2.977 621 3HB ALA 86 3HB ALA 86 110.610 -4.416 -4.416 622 H ARG 87 H ARG 87 111.461 -0.547 -0.547 623 HA ARG 87 HA ARG 87 110.838 0.667 0.667 624 1HB ARG 87 2HB ARG 87 112.577 1.453 1.453 625 2HB ARG 87 1HB ARG 87 111.401 1.863 1.863 626 1HG ARG 87 2HG ARG 87 112.274 3.826 3.826 627 2HG ARG 87 1HG ARG 87 110.519 3.673 3.673 628 1HD ARG 87 2HD ARG 87 110.408 2.838 2.838 629 2HD ARG 87 1HD ARG 87 112.138 2.449 2.449 630 HE ARG 87 HE ARG 87 112.612 4.871 4.871 631 1HH1 ARG 87 2HH1 ARG 87 110.319 3.929 3.929 632 2HH1 ARG 87 1HH1 ARG 87 109.379 5.384 5.384 633 1HH2 ARG 87 1HH2 ARG 87 110.980 6.745 6.745 634 2HH2 ARG 87 2HH2 ARG 87 109.750 6.975 6.975 635 H GLU 88 H GLU 88 109.010 1.016 1.016 636 HA GLU 88 HA GLU 88 106.970 2.647 2.647 637 1HB GLU 88 2HB GLU 88 108.106 2.520 2.520 638 2HB GLU 88 1HB GLU 88 106.391 2.136 2.136 639 1HG GLU 88 2HG GLU 88 106.216 4.423 4.423 640 2HG GLU 88 1HG GLU 88 106.200 4.212 4.212 641 H GLY 89 H GLY 89 107.544 -0.562 -0.562 642 1HA GLY 89 2HA GLY 89 106.114 -2.367 -2.367 643 2HA GLY 89 1HA GLY 89 104.744 -1.261 -1.261 644 H PHE 90 H PHE 90 107.133 -1.657 -1.657 645 HA PHE 90 HA PHE 90 104.913 -2.541 -2.541 646 1HB PHE 90 2HB PHE 90 106.823 -0.553 -0.553 647 2HB PHE 90 1HB PHE 90 107.523 -1.827 -1.827 648 HD1 PHE 90 HD2 PHE 90 103.890 -1.142 -1.142 649 HD2 PHE 90 HD1 PHE 90 107.224 -0.942 -0.942 650 HE1 PHE 90 HE2 PHE 90 102.354 -0.566 -0.566 651 HE2 PHE 90 HE1 PHE 90 105.689 -0.362 -0.362 652 HZ PHE 90 HZ PHE 90 103.253 -0.182 -0.182 653 H LEU 91 H LEU 91 104.882 -4.807 -4.807 654 HA LEU 91 HA LEU 91 107.374 -6.371 -6.371 655 1HB LEU 91 2HB LEU 91 105.052 -6.777 -6.777 656 2HB LEU 91 1HB LEU 91 104.632 -7.530 -7.530 657 HG LEU 91 HG LEU 91 107.139 -8.209 -8.209 658 1HD1 LEU 91 1HD1 LEU 91 105.054 -8.794 -8.794 659 2HD1 LEU 91 3HD1 LEU 91 104.535 -9.742 -9.742 660 3HD1 LEU 91 2HD1 LEU 91 105.981 -10.210 -10.210 661 1HD2 LEU 91 3HD2 LEU 91 105.764 -9.293 -9.293 662 2HD2 LEU 91 2HD2 LEU 91 107.452 -8.822 -8.822 663 3HD2 LEU 91 1HD2 LEU 91 106.856 -10.302 -10.302 664 H ASP 92 H ASP 92 104.589 -5.718 -5.718 665 HA ASP 92 HA ASP 92 105.018 -7.470 -7.470 666 1HB ASP 92 2HB ASP 92 104.061 -4.649 -4.649 667 2HB ASP 92 1HB ASP 92 104.299 -5.283 -5.283 668 H THR 93 H THR 93 106.484 -4.202 -4.202 669 HA THR 93 HA THR 93 108.246 -4.386 -4.386 670 HB THR 93 HB THR 93 108.309 -2.970 -2.970 671 HG1 THR 93 HG1 THR 93 106.822 -2.381 -2.381 672 1HG2 THR 93 3HG2 THR 93 110.664 -3.382 -3.382 673 2HG2 THR 93 2HG2 THR 93 110.212 -2.411 -2.411 674 3HG2 THR 93 1HG2 THR 93 110.217 -1.689 -1.689 675 H LEU 94 H LEU 94 108.696 -5.398 -5.398 676 HA LEU 94 HA LEU 94 111.368 -6.272 -6.272 677 1HB LEU 94 2HB LEU 94 109.057 -6.512 -6.512 678 2HB LEU 94 1HB LEU 94 109.644 -8.159 -8.159 679 HG LEU 94 HG LEU 94 111.968 -7.250 -7.250 680 1HD1 LEU 94 1HD1 LEU 94 110.213 -4.946 -4.946 681 2HD1 LEU 94 3HD1 LEU 94 111.857 -5.197 -5.197 682 3HD1 LEU 94 2HD1 LEU 94 111.570 -4.891 -4.891 683 1HD2 LEU 94 3HD2 LEU 94 109.692 -7.898 -7.898 684 2HD2 LEU 94 2HD2 LEU 94 111.372 -8.419 -8.419 685 3HD2 LEU 94 1HD2 LEU 94 110.872 -6.881 -6.881 686 H VAL 95 H VAL 95 108.465 -7.813 -7.813 687 HA VAL 95 HA VAL 95 109.733 -10.337 -10.337 688 HB VAL 95 HB VAL 95 107.263 -8.996 -8.996 689 1HG1 VAL 95 2HG1 VAL 95 108.165 -11.042 -11.042 690 2HG1 VAL 95 1HG1 VAL 95 107.923 -11.931 -11.931 691 3HG1 VAL 95 3HG1 VAL 95 106.540 -11.244 -11.244 692 1HG2 VAL 95 2HG2 VAL 95 107.796 -9.801 -9.801 693 2HG2 VAL 95 1HG2 VAL 95 106.273 -9.229 -9.229 694 3HG2 VAL 95 3HG2 VAL 95 106.652 -10.952 -10.952 695 H VAL 96 H VAL 96 108.898 -7.373 -7.373 696 HA VAL 96 HA VAL 96 109.866 -8.203 -8.203 697 HB VAL 96 HB VAL 96 109.844 -5.439 -5.439 698 1HG1 VAL 96 1HG1 VAL 96 111.089 -5.836 -5.836 699 2HG1 VAL 96 3HG1 VAL 96 109.511 -6.187 -6.187 700 3HG1 VAL 96 2HG1 VAL 96 109.838 -4.594 -4.594 701 1HG2 VAL 96 3HG2 VAL 96 107.673 -7.092 -7.092 702 2HG2 VAL 96 2HG2 VAL 96 107.585 -5.332 -5.332 703 3HG2 VAL 96 1HG2 VAL 96 107.656 -6.273 -6.273 704 H LEU 97 H LEU 97 111.476 -6.405 -6.405 705 HA LEU 97 HA LEU 97 113.983 -5.930 -5.930 706 1HB LEU 97 2HB LEU 97 112.882 -6.375 -6.375 707 2HB LEU 97 1HB LEU 97 114.634 -6.380 -6.380 708 HG LEU 97 HG LEU 97 113.590 -4.117 -4.117 709 1HD1 LEU 97 3HD1 LEU 97 115.254 -4.519 -4.519 710 2HD1 LEU 97 2HD1 LEU 97 114.964 -2.937 -2.937 711 3HD1 LEU 97 1HD1 LEU 97 115.827 -4.177 -4.177 712 1HD2 LEU 97 1HD2 LEU 97 111.642 -4.480 -4.480 713 2HD2 LEU 97 3HD2 LEU 97 112.453 -2.925 -2.925 714 3HD2 LEU 97 2HD2 LEU 97 112.769 -4.215 -4.215 715 H HIS 98 H HIS 98 112.914 -8.849 -8.849 716 HA HIS 98 HA HIS 98 115.441 -10.248 -10.248 717 1HB HIS 98 2HB HIS 98 113.948 -10.382 -10.382 718 2HB HIS 98 1HB HIS 98 112.866 -11.376 -11.376 719 HD1 HIS 98 HD1 HIS 98 113.492 -13.389 -13.389 720 HD2 HIS 98 HD2 HIS 98 116.632 -11.972 -11.972 721 HE1 HIS 98 HE1 HIS 98 115.310 -15.150 -15.150 722 H ARG 99 H ARG 99 112.441 -9.763 -9.763 723 HA ARG 99 HA ARG 99 112.355 -12.318 -12.318 724 1HB ARG 99 2HB ARG 99 110.788 -9.877 -9.877 725 2HB ARG 99 1HB ARG 99 110.806 -10.448 -10.448 726 1HG ARG 99 2HG ARG 99 110.342 -12.792 -12.792 727 2HG ARG 99 1HG ARG 99 109.772 -11.827 -11.827 728 1HD ARG 99 2HD ARG 99 108.068 -10.790 -10.790 729 2HD ARG 99 1HD ARG 99 108.806 -11.327 -11.327 730 HE ARG 99 HE ARG 99 108.000 -13.446 -13.446 731 1HH1 ARG 99 2HH1 ARG 99 108.563 -13.478 -13.478 732 2HH1 ARG 99 1HH1 ARG 99 106.965 -13.797 -13.797 733 1HH2 ARG 99 1HH2 ARG 99 105.426 -13.061 -13.061 734 2HH2 ARG 99 2HH2 ARG 99 105.187 -13.570 -13.570 735 H ALA 100 H ALA 100 114.163 -9.452 -9.452 736 HA ALA 100 HA ALA 100 114.822 -10.253 -10.253 737 1HB ALA 100 2HB ALA 100 113.880 -7.730 -7.730 738 2HB ALA 100 1HB ALA 100 115.223 -7.553 -7.553 739 3HB ALA 100 3HB ALA 100 113.722 -8.313 -8.313 740 H GLY 101 H GLY 101 116.057 -7.897 -7.897 741 1HA GLY 101 2HA GLY 101 118.532 -9.315 -9.315 742 2HA GLY 101 1HA GLY 101 118.745 -8.000 -8.000 743 H ALA 102 H ALA 102 118.603 -8.777 -8.777 744 HA ALA 102 HA ALA 102 119.136 -6.016 -6.016 745 1HB ALA 102 2HB ALA 102 116.593 -6.311 -6.311 746 2HB ALA 102 1HB ALA 102 116.588 -7.231 -7.231 747 3HB ALA 102 3HB ALA 102 117.085 -5.540 -5.540 748 H ARG 103 H ARG 103 120.466 -6.163 -6.163 749 HA ARG 103 HA ARG 103 120.630 -8.718 -8.718 750 1HB ARG 103 2HB ARG 103 122.628 -7.518 -7.518 751 2HB ARG 103 1HB ARG 103 122.241 -6.148 -6.148 752 1HG ARG 103 2HG ARG 103 123.379 -7.137 -7.137 753 2HG ARG 103 1HG ARG 103 122.204 -8.451 -8.451 754 1HD ARG 103 2HD ARG 103 123.973 -9.770 -9.770 755 2HD ARG 103 1HD ARG 103 123.808 -9.035 -9.035 756 HE ARG 103 HE ARG 103 125.376 -7.492 -7.492 757 1HH1 ARG 103 2HH1 ARG 103 126.698 -10.144 -10.144 758 2HH1 ARG 103 1HH1 ARG 103 127.703 -9.638 -9.638 759 1HH2 ARG 103 1HH2 ARG 103 126.057 -6.614 -6.614 760 2HH2 ARG 103 2HH2 ARG 103 127.343 -7.635 -7.635 761 H LEU 104 H LEU 104 119.193 -8.895 -8.895 762 HA LEU 104 HA LEU 104 118.470 -6.441 -6.441 763 1HB LEU 104 2HB LEU 104 116.597 -7.957 -7.957 764 2HB LEU 104 1HB LEU 104 116.598 -7.646 -7.646 765 HG LEU 104 HG LEU 104 118.213 -9.977 -9.977 766 1HD1 LEU 104 2HD1 LEU 104 115.734 -9.689 -9.689 767 2HD1 LEU 104 1HD1 LEU 104 115.403 -10.740 -10.740 768 3HD1 LEU 104 3HD1 LEU 104 116.637 -11.187 -11.187 769 1HD2 LEU 104 3HD2 LEU 104 117.500 -9.151 -9.151 770 2HD2 LEU 104 2HD2 LEU 104 117.368 -10.876 -10.876 771 3HD2 LEU 104 1HD2 LEU 104 115.931 -9.855 -9.855 772 H ASP 105 H ASP 105 120.757 -8.757 -8.757 773 HA ASP 105 HA ASP 105 120.487 -9.239 -9.239 774 1HB ASP 105 2HB ASP 105 122.334 -10.321 -10.321 775 2HB ASP 105 1HB ASP 105 122.346 -10.844 -10.844 776 H VAL 106 H VAL 106 121.107 -6.561 -6.561 777 HA VAL 106 HA VAL 106 124.029 -6.313 -6.313 778 HB VAL 106 HB VAL 106 122.910 -5.409 -5.409 779 1HG1 VAL 106 1HG1 VAL 106 121.087 -4.385 -4.385 780 2HG1 VAL 106 3HG1 VAL 106 122.040 -2.976 -2.976 781 3HG1 VAL 106 2HG1 VAL 106 121.215 -3.937 -3.937 782 1HG2 VAL 106 3HG2 VAL 106 125.086 -4.577 -4.577 783 2HG2 VAL 106 2HG2 VAL 106 124.381 -3.606 -3.606 784 3HG2 VAL 106 1HG2 VAL 106 124.110 -3.163 -3.163 785 H ARG 107 H ARG 107 124.434 -4.072 -4.072 786 HA ARG 107 HA ARG 107 122.484 -3.659 -3.659 787 1HB ARG 107 2HB ARG 107 124.687 -3.306 -3.306 788 2HB ARG 107 1HB ARG 107 124.218 -4.960 -4.960 789 1HG ARG 107 2HG ARG 107 125.733 -4.965 -4.965 790 2HG ARG 107 1HG ARG 107 126.162 -3.282 -3.282 791 1HD ARG 107 2HD ARG 107 127.375 -3.812 -3.812 792 2HD ARG 107 1HD ARG 107 126.534 -5.361 -5.361 793 HE ARG 107 HE ARG 107 127.694 -5.803 -5.803 794 1HH1 ARG 107 2HH1 ARG 107 128.830 -5.371 -5.371 795 2HH1 ARG 107 1HH1 ARG 107 130.508 -5.330 -5.330 796 1HH2 ARG 107 1HH2 ARG 107 129.909 -5.288 -5.288 797 2HH2 ARG 107 2HH2 ARG 107 131.119 -5.285 -5.285 798 H ASP 108 H ASP 108 122.254 -1.470 -1.470 799 HA ASP 108 HA ASP 108 122.954 0.563 0.563 800 1HB ASP 108 2HB ASP 108 121.582 0.273 0.273 801 2HB ASP 108 1HB ASP 108 122.263 1.873 1.873 802 H ALA 109 H ALA 109 125.409 -0.106 -0.106 803 HA ALA 109 HA ALA 109 127.602 0.571 0.571 804 1HB ALA 109 1HB ALA 109 125.784 2.786 2.786 805 2HB ALA 109 3HB ALA 109 127.137 2.857 2.857 806 3HB ALA 109 2HB ALA 109 127.436 2.823 2.823 807 H TRP 110 H TRP 110 125.918 1.795 1.795 808 HA TRP 110 HA TRP 110 127.798 0.726 0.726 809 1HB TRP 110 2HB TRP 110 124.864 1.421 1.421 810 2HB TRP 110 1HB TRP 110 126.034 1.276 1.276 811 HD1 TRP 110 HD1 TRP 110 128.441 2.831 2.831 812 HE1 TRP 110 HE1 TRP 110 128.396 5.344 5.344 813 HE3 TRP 110 HE3 TRP 110 123.504 3.369 3.369 814 HZ2 TRP 110 HZ2 TRP 110 126.501 7.321 7.321 815 HZ3 TRP 110 HZ3 TRP 110 122.605 5.563 5.563 816 HH2 TRP 110 HH2 TRP 110 124.089 7.535 7.535 817 H GLY 111 H GLY 111 124.408 -0.388 -0.388 818 1HA GLY 111 2HA GLY 111 124.928 -3.084 -3.084 819 2HA GLY 111 1HA GLY 111 124.965 -2.919 -2.919 820 H ARG 112 H ARG 112 122.889 -0.972 -0.972 821 HA ARG 112 HA ARG 112 120.529 -1.977 -1.977 822 1HB ARG 112 2HB ARG 112 121.380 0.450 0.450 823 2HB ARG 112 1HB ARG 112 120.037 -0.086 -0.086 824 1HG ARG 112 2HG ARG 112 119.537 -0.428 -0.428 825 2HG ARG 112 1HG ARG 112 119.778 1.253 1.253 826 1HD ARG 112 2HD ARG 112 117.940 1.230 1.230 827 2HD ARG 112 1HD ARG 112 117.932 -0.541 -0.541 828 HE ARG 112 HE ARG 112 116.559 -0.518 -0.518 829 1HH1 ARG 112 2HH1 ARG 112 116.070 2.438 2.438 830 2HH1 ARG 112 1HH1 ARG 112 116.594 2.996 2.996 831 1HH2 ARG 112 1HH2 ARG 112 118.375 0.107 0.107 832 2HH2 ARG 112 2HH2 ARG 112 117.904 1.674 1.674 833 H LEU 113 H LEU 113 119.784 -3.913 -3.913 834 HA LEU 113 HA LEU 113 119.979 -4.600 -4.600 835 1HB LEU 113 2HB LEU 113 119.213 -5.826 -5.826 836 2HB LEU 113 1HB LEU 113 118.442 -6.510 -6.510 837 HG LEU 113 HG LEU 113 120.745 -7.476 -7.476 838 1HD1 LEU 113 2HD1 LEU 113 119.436 -7.942 -7.942 839 2HD1 LEU 113 1HD1 LEU 113 120.506 -6.772 -6.772 840 3HD1 LEU 113 3HD1 LEU 113 121.175 -8.236 -8.236 841 1HD2 LEU 113 1HD2 LEU 113 121.712 -5.056 -5.056 842 2HD2 LEU 113 3HD2 LEU 113 122.695 -6.374 -6.374 843 3HD2 LEU 113 2HD2 LEU 113 121.798 -5.329 -5.329 844 HA PRO 114 HA PRO 114 115.991 -3.188 -3.188 845 1HB PRO 114 2HB PRO 114 115.264 -5.097 -5.097 846 2HB PRO 114 1HB PRO 114 116.490 -3.855 -3.855 847 1HG PRO 114 2HG PRO 114 116.840 -6.712 -6.712 848 2HG PRO 114 1HG PRO 114 117.778 -5.705 -5.705 849 1HD PRO 114 2HD PRO 114 118.587 -6.334 -6.334 850 2HD PRO 114 1HD PRO 114 119.107 -4.877 -4.877 851 H VAL 115 H VAL 115 116.348 -6.458 -6.458 852 HA VAL 115 HA VAL 115 113.475 -6.936 -6.936 853 HB VAL 115 HB VAL 115 115.222 -8.706 -8.706 854 1HG1 VAL 115 3HG1 VAL 115 116.913 -7.537 -7.537 855 2HG1 VAL 115 2HG1 VAL 115 115.992 -8.159 -8.159 856 3HG1 VAL 115 1HG1 VAL 115 116.759 -9.275 -9.275 857 1HG2 VAL 115 2HG2 VAL 115 113.016 -8.690 -8.690 858 2HG2 VAL 115 1HG2 VAL 115 113.768 -10.092 -10.092 859 3HG2 VAL 115 3HG2 VAL 115 114.295 -9.564 -9.564 860 H ASP 116 H ASP 116 116.182 -5.938 -5.938 861 HA ASP 116 HA ASP 116 114.689 -5.871 -5.871 862 1HB ASP 116 2HB ASP 116 117.062 -6.038 -6.038 863 2HB ASP 116 1HB ASP 116 117.265 -4.683 -4.683 864 H LEU 117 H LEU 117 115.186 -3.566 -3.566 865 HA LEU 117 HA LEU 117 114.111 -1.278 -1.278 866 1HB LEU 117 2HB LEU 117 115.708 -0.919 -0.919 867 2HB LEU 117 1HB LEU 117 114.765 -1.885 -1.885 868 HG LEU 117 HG LEU 117 113.172 0.280 0.280 869 1HD1 LEU 117 3HD1 LEU 117 115.769 0.966 0.966 870 2HD1 LEU 117 2HD1 LEU 117 114.401 2.076 2.076 871 3HD1 LEU 117 1HD1 LEU 117 115.212 1.542 1.542 872 1HD2 LEU 117 3HD2 LEU 117 114.022 -0.615 -0.615 873 2HD2 LEU 117 2HD2 LEU 117 112.460 -0.857 -0.857 874 3HD2 LEU 117 1HD2 LEU 117 112.946 0.756 0.756 875 H ALA 118 H ALA 118 112.834 -3.762 -3.762 876 HA ALA 118 HA ALA 118 110.260 -2.463 -2.463 877 1HB ALA 118 2HB ALA 118 111.305 -5.287 -5.287 878 2HB ALA 118 1HB ALA 118 109.691 -4.785 -4.785 879 3HB ALA 118 3HB ALA 118 111.110 -4.058 -4.058 880 H GLU 119 H GLU 119 111.437 -5.098 -5.098 881 HA GLU 119 HA GLU 119 108.963 -5.720 -5.720 882 1HB GLU 119 2HB GLU 119 111.835 -6.176 -6.176 883 2HB GLU 119 1HB GLU 119 110.997 -6.102 -6.102 884 1HG GLU 119 2HG GLU 119 109.827 -8.023 -8.023 885 2HG GLU 119 1HG GLU 119 109.620 -7.671 -7.671 886 H GLU 120 H GLU 120 111.407 -3.243 -3.243 887 HA GLU 120 HA GLU 120 110.401 -2.364 -2.364 888 1HB GLU 120 2HB GLU 120 112.082 -1.293 -1.293 889 2HB GLU 120 1HB GLU 120 111.521 -0.151 -0.151 890 1HG GLU 120 2HG GLU 120 112.478 -2.534 -2.534 891 2HG GLU 120 1HG GLU 120 113.712 -1.941 -1.941 892 H LEU 121 H LEU 121 109.970 -0.840 -0.840 893 HA LEU 121 HA LEU 121 108.020 1.062 1.062 894 1HB LEU 121 2HB LEU 121 108.839 -0.421 -0.421 895 2HB LEU 121 1HB LEU 121 107.405 0.601 0.601 896 HG LEU 121 HG LEU 121 109.629 1.710 1.710 897 1HD1 LEU 121 3HD1 LEU 121 107.462 2.666 2.666 898 2HD1 LEU 121 2HD1 LEU 121 108.946 3.599 3.599 899 3HD1 LEU 121 1HD1 LEU 121 108.217 3.439 3.439 900 1HD2 LEU 121 2HD2 LEU 121 110.002 1.552 1.552 901 2HD2 LEU 121 1HD2 LEU 121 110.999 0.744 0.744 902 3HD2 LEU 121 3HD2 LEU 121 110.999 2.503 2.503 903 H GLY 122 H GLY 122 106.991 -1.616 -1.616 904 1HA GLY 122 2HA GLY 122 105.260 -2.994 -2.994 905 2HA GLY 122 1HA GLY 122 104.330 -1.620 -1.620 906 H HIS 123 H HIS 123 106.815 -3.398 -3.398 907 HA HIS 123 HA HIS 123 104.690 -4.182 -4.182 908 1HB HIS 123 2HB HIS 123 107.663 -3.871 -3.871 909 2HB HIS 123 1HB HIS 123 106.362 -3.837 -3.837 910 HD1 HIS 123 HD1 HIS 123 104.481 -1.790 -1.790 911 HD2 HIS 123 HD2 HIS 123 108.496 -1.304 -1.304 912 HE1 HIS 123 HE1 HIS 123 104.822 0.686 0.686 913 H ARG 124 H ARG 124 104.930 -5.892 -5.892 914 HA ARG 124 HA ARG 124 106.893 -7.866 -7.866 915 1HB ARG 124 2HB ARG 124 104.079 -7.524 -7.524 916 2HB ARG 124 1HB ARG 124 104.445 -9.202 -9.202 917 1HG ARG 124 2HG ARG 124 106.515 -7.982 -7.982 918 2HG ARG 124 1HG ARG 124 104.932 -7.976 -7.976 919 1HD ARG 124 2HD ARG 124 104.776 -10.311 -10.311 920 2HD ARG 124 1HD ARG 124 105.910 -10.484 -10.484 921 HE ARG 124 HE ARG 124 107.647 -9.523 -9.523 922 1HH1 ARG 124 2HH1 ARG 124 104.819 -10.264 -10.264 923 2HH1 ARG 124 1HH1 ARG 124 105.535 -11.363 -11.363 924 1HH2 ARG 124 1HH2 ARG 124 108.612 -11.422 -11.422 925 2HH2 ARG 124 2HH2 ARG 124 107.680 -12.029 -12.029 926 H ASP 125 H ASP 125 104.304 -7.500 -7.500 927 HA ASP 125 HA ASP 125 104.598 -10.050 -10.050 928 1HB ASP 125 2HB ASP 125 103.738 -7.307 -7.307 929 2HB ASP 125 1HB ASP 125 103.508 -8.800 -8.800 930 H VAL 126 H VAL 126 106.187 -6.898 -6.898 931 HA VAL 126 HA VAL 126 107.845 -7.871 -7.871 932 HB VAL 126 HB VAL 126 108.298 -5.308 -5.308 933 1HG1 VAL 126 1HG1 VAL 126 108.622 -6.353 -6.353 934 2HG1 VAL 126 3HG1 VAL 126 108.431 -4.621 -4.621 935 3HG1 VAL 126 2HG1 VAL 126 109.779 -5.478 -5.478 936 1HG2 VAL 126 3HG2 VAL 126 105.977 -5.951 -5.951 937 2HG2 VAL 126 2HG2 VAL 126 105.899 -5.298 -5.298 938 3HG2 VAL 126 1HG2 VAL 126 106.516 -4.304 -4.304 939 H ALA 127 H ALA 127 108.318 -6.975 -6.975 940 HA ALA 127 HA ALA 127 111.145 -7.448 -7.448 941 1HB ALA 127 3HB ALA 127 109.427 -6.346 -6.346 942 2HB ALA 127 2HB ALA 127 109.286 -7.983 -7.983 943 3HB ALA 127 1HB ALA 127 110.849 -7.167 -7.167 944 H ARG 128 H ARG 128 108.340 -9.590 -9.590 945 HA ARG 128 HA ARG 128 109.751 -11.920 -11.920 946 1HB ARG 128 2HB ARG 128 107.313 -11.592 -11.592 947 2HB ARG 128 1HB ARG 128 107.191 -11.572 -11.572 948 1HG ARG 128 2HG ARG 128 108.167 -13.895 -13.895 949 2HG ARG 128 1HG ARG 128 108.048 -13.900 -13.900 950 1HD ARG 128 2HD ARG 128 105.515 -13.045 -13.045 951 2HD ARG 128 1HD ARG 128 105.989 -14.513 -14.513 952 HE ARG 128 HE ARG 128 106.398 -14.553 -14.553 953 1HH1 ARG 128 1HH2 ARG 128 103.802 -14.759 -14.759 954 2HH1 ARG 128 2HH2 ARG 128 103.265 -16.315 -16.315 955 1HH2 ARG 128 2HH1 ARG 128 106.017 -16.860 -16.860 956 2HH2 ARG 128 1HH1 ARG 128 104.526 -17.510 -17.510 957 H TYR 129 H TYR 129 108.603 -11.005 -11.005 958 HA TYR 129 HA TYR 129 109.799 -13.191 -13.191 959 1HB TYR 129 2HB TYR 129 108.084 -11.817 -11.817 960 2HB TYR 129 1HB TYR 129 109.036 -10.354 -10.354 961 HD1 TYR 129 HD2 TYR 129 111.346 -10.251 -10.251 962 HD2 TYR 129 HD1 TYR 129 108.217 -12.996 -12.996 963 HE1 TYR 129 HE2 TYR 129 112.365 -10.547 -10.547 964 HE2 TYR 129 HE1 TYR 129 109.238 -13.294 -13.294 965 HH TYR 129 HH TYR 129 111.176 -12.954 -12.954 966 H LEU 130 H LEU 130 111.082 -10.111 -10.111 967 HA LEU 130 HA LEU 130 113.513 -10.082 -10.082 968 1HB LEU 130 2HB LEU 130 112.571 -8.915 -8.915 969 2HB LEU 130 1HB LEU 130 114.223 -8.653 -8.653 970 HG LEU 130 HG LEU 130 111.789 -8.052 -8.052 971 1HD1 LEU 130 1HD1 LEU 130 113.239 -6.420 -6.420 972 2HD1 LEU 130 3HD1 LEU 130 112.593 -5.620 -5.620 973 3HD1 LEU 130 2HD1 LEU 130 111.513 -6.494 -6.494 974 1HD2 LEU 130 3HD2 LEU 130 114.242 -8.409 -8.409 975 2HD2 LEU 130 2HD2 LEU 130 113.282 -7.049 -7.049 976 3HD2 LEU 130 1HD2 LEU 130 114.510 -6.797 -6.797 977 H ARG 131 H ARG 131 113.020 -10.984 -10.984 978 HA ARG 131 HA ARG 131 115.544 -12.143 -12.143 979 1HB ARG 131 2HB ARG 131 113.102 -11.821 -11.821 980 2HB ARG 131 1HB ARG 131 113.297 -13.572 -13.572 981 1HG ARG 131 2HG ARG 131 115.503 -13.407 -13.407 982 2HG ARG 131 1HG ARG 131 115.403 -11.646 -11.646 983 1HD ARG 131 2HD ARG 131 114.733 -12.194 -12.194 984 2HD ARG 131 1HD ARG 131 113.182 -12.026 -12.026 985 HE ARG 131 HE ARG 131 114.003 -14.694 -14.694 986 1HH1 ARG 131 1HH2 ARG 131 114.896 -13.973 -13.973 987 2HH1 ARG 131 2HH2 ARG 131 113.551 -14.612 -14.612 988 1HH2 ARG 131 2HH1 ARG 131 111.517 -14.915 -14.915 989 2HH2 ARG 131 1HH1 ARG 131 111.635 -15.142 -15.142 990 H ALA 132 H ALA 132 112.910 -13.367 -13.367 991 HA ALA 132 HA ALA 132 113.851 -16.151 -16.151 992 1HB ALA 132 1HB ALA 132 111.447 -15.070 -15.070 993 2HB ALA 132 3HB ALA 132 111.905 -15.012 -15.012 994 3HB ALA 132 2HB ALA 132 111.854 -16.558 -16.558 995 H ALA 133 H ALA 133 113.389 -13.744 -13.744 996 HA ALA 133 HA ALA 133 115.218 -15.181 -15.181 997 1HB ALA 133 3HB ALA 133 113.060 -13.616 -13.616 998 2HB ALA 133 2HB ALA 133 114.313 -12.385 -12.385 999 3HB ALA 133 1HB ALA 133 114.300 -13.779 -13.779 1000 H ALA 134 H ALA 134 115.577 -12.834 -12.834 1001 HA ALA 134 HA ALA 134 118.171 -11.871 -11.871 1002 1HB ALA 134 1HB ALA 134 116.103 -10.415 -10.415 1003 2HB ALA 134 3HB ALA 134 116.840 -10.700 -10.700 1004 3HB ALA 134 2HB ALA 134 117.757 -9.887 -9.887 1005 H GLY 135 H GLY 135 118.022 -14.506 -14.506 1006 1HA GLY 135 2HA GLY 135 119.538 -15.709 -15.709 1007 2HA GLY 135 1HA GLY 135 120.012 -14.189 -14.189 1008 H GLY 136 H GLY 136 118.171 -17.007 -17.007 1009 1HA GLY 136 2HA GLY 136 116.448 -15.778 -15.778 1010 2HA GLY 136 1HA GLY 136 116.236 -17.394 -17.394 1011 H THR 137 H THR 137 117.059 -15.917 -15.917 1012 HA THR 137 HA THR 137 119.370 -17.603 -17.603 1013 HB THR 137 HB THR 137 118.948 -16.306 -16.306 1014 HG1 THR 137 HG1 THR 137 117.037 -15.441 -15.441 1015 1HG2 THR 137 3HG2 THR 137 120.080 -15.528 -15.528 1016 2HG2 THR 137 2HG2 THR 137 119.312 -14.111 -14.111 1017 3HG2 THR 137 1HG2 THR 137 120.543 -14.998 -14.998 1018 H ARG 138 H ARG 138 119.247 -19.227 -19.227 1019 HA ARG 138 HA ARG 138 116.588 -19.919 -19.919 1020 1HB ARG 138 2HB ARG 138 117.846 -21.155 -21.155 1021 2HB ARG 138 1HB ARG 138 117.632 -22.337 -22.337 1022 1HG ARG 138 2HG ARG 138 115.277 -20.648 -20.648 1023 2HG ARG 138 1HG ARG 138 115.661 -21.448 -21.448 1024 1HD ARG 138 2HD ARG 138 115.654 -23.633 -23.633 1025 2HD ARG 138 1HD ARG 138 115.430 -22.879 -22.879 1026 HE ARG 138 HE ARG 138 113.195 -22.196 -22.196 1027 1HH1 ARG 138 2HH1 ARG 138 114.306 -24.995 -24.995 1028 2HH1 ARG 138 1HH1 ARG 138 113.204 -25.005 -25.005 1029 1HH2 ARG 138 1HH2 ARG 138 112.011 -21.804 -21.804 1030 2HH2 ARG 138 2HH2 ARG 138 111.898 -23.195 -23.195 1031 H GLY 139 H GLY 139 119.208 -19.051 -19.051 1032 1HA GLY 139 2HA GLY 139 120.222 -21.486 -21.486 1033 2HA GLY 139 1HA GLY 139 120.949 -19.881 -19.881 1034 H SER 140 H SER 140 117.869 -19.104 -19.104 1035 HA SER 140 HA SER 140 116.510 -18.622 -18.622 1036 1HB SER 140 2HB SER 140 117.494 -21.292 -21.292 1037 2HB SER 140 1HB SER 140 117.507 -20.559 -20.559 1038 HG SER 140 HG SER 140 115.478 -21.546 -21.546 1039 H ASN 141 H ASN 141 116.996 -16.780 -16.780 1040 HA ASN 141 HA ASN 141 118.185 -15.220 -15.220 1041 1HB ASN 141 2HB ASN 141 118.851 -17.787 -17.787 1042 2HB ASN 141 1HB ASN 141 118.744 -16.166 -16.166 1043 1HD2 ASN 141 1HD2 ASN 141 116.421 -15.095 -15.095 1044 2HD2 ASN 141 2HD2 ASN 141 115.094 -16.110 -16.110 1045 H HIS 142 H HIS 142 119.697 -15.926 -15.926 1046 HA HIS 142 HA HIS 142 122.452 -15.638 -15.638 1047 1HB HIS 142 2HB HIS 142 121.280 -18.108 -18.108 1048 2HB HIS 142 1HB HIS 142 122.610 -17.621 -17.621 1049 HD1 HIS 142 HD1 HIS 142 122.608 -16.776 -16.776 1050 HD2 HIS 142 HD2 HIS 142 124.412 -19.520 -19.520 1051 HE1 HIS 142 HE1 HIS 142 124.452 -17.894 -17.894 1052 H ALA 143 H ALA 143 123.889 -15.789 -15.789 1053 HA ALA 143 HA ALA 143 122.558 -14.658 -14.658 1054 1HB ALA 143 1HB ALA 143 123.644 -12.926 -12.926 1055 2HB ALA 143 3HB ALA 143 124.049 -12.445 -12.445 1056 3HB ALA 143 2HB ALA 143 122.361 -12.602 -12.602 1057 H ARG 144 H ARG 144 124.268 -16.775 -16.775 1058 HA ARG 144 HA ARG 144 126.269 -17.621 -17.621 1059 1HB ARG 144 2HB ARG 144 125.209 -15.482 -15.482 1060 2HB ARG 144 1HB ARG 144 126.960 -15.293 -15.293 1061 1HG ARG 144 2HG ARG 144 127.086 -16.932 -16.932 1062 2HG ARG 144 1HG ARG 144 126.471 -18.061 -18.061 1063 1HD ARG 144 2HD ARG 144 124.207 -17.738 -17.738 1064 2HD ARG 144 1HD ARG 144 124.636 -16.309 -16.309 1065 HE ARG 144 HE ARG 144 125.271 -19.122 -19.122 1066 1HH1 ARG 144 2HH1 ARG 144 126.304 -15.894 -15.894 1067 2HH1 ARG 144 1HH1 ARG 144 126.446 -16.019 -16.019 1068 1HH2 ARG 144 1HH2 ARG 144 125.097 -19.213 -19.213 1069 2HH2 ARG 144 2HH2 ARG 144 125.757 -17.895 -17.895 1070 H ILE 145 H ILE 145 128.685 -16.721 -16.721 1071 HA ILE 145 HA ILE 145 129.645 -14.777 -14.777 1072 HB ILE 145 HB ILE 145 129.368 -17.058 -17.058 1073 1HG1 ILE 145 2HG1 ILE 145 131.574 -17.021 -17.021 1074 2HG1 ILE 145 1HG1 ILE 145 132.212 -16.025 -16.025 1075 1HG2 ILE 145 1HG2 ILE 145 130.524 -17.954 -17.954 1076 2HG2 ILE 145 3HG2 ILE 145 131.827 -18.108 -18.108 1077 3HG2 ILE 145 2HG2 ILE 145 130.284 -18.917 -18.917 1078 1HD1 ILE 145 2HD1 ILE 145 129.770 -15.064 -15.064 1079 2HD1 ILE 145 1HD1 ILE 145 131.329 -14.917 -14.917 1080 3HD1 ILE 145 3HD1 ILE 145 131.068 -14.134 -14.134 1081 H ASP 146 H ASP 146 130.007 -13.967 -13.967 1082 HA ASP 146 HA ASP 146 131.747 -14.907 -14.907 1083 1HB ASP 146 2HB ASP 146 131.291 -12.213 -12.213 1084 2HB ASP 146 1HB ASP 146 132.540 -12.379 -12.379 1085 H ALA 147 H ALA 147 133.813 -15.727 -15.727 1086 HA ALA 147 HA ALA 147 135.428 -15.992 -15.992 1087 1HB ALA 147 1HB ALA 147 135.671 -17.044 -17.044 1088 2HB ALA 147 3HB ALA 147 136.391 -15.535 -15.535 1089 3HB ALA 147 2HB ALA 147 137.195 -16.487 -16.487 1090 H ALA 148 H ALA 148 136.649 -14.583 -14.583 1091 HA ALA 148 HA ALA 148 136.574 -11.780 -11.780 1092 1HB ALA 148 1HB ALA 148 138.504 -13.715 -13.715 1093 2HB ALA 148 3HB ALA 148 138.657 -11.970 -11.970 1094 3HB ALA 148 2HB ALA 148 137.205 -12.798 -12.798 1095 H GLU 149 H GLU 149 137.719 -10.320 -10.320 1096 HA GLU 149 HA GLU 149 139.392 -11.208 -11.208 1097 1HB GLU 149 2HB GLU 149 137.842 -9.082 -9.082 1098 2HB GLU 149 1HB GLU 149 139.372 -8.392 -8.392 1099 1HG GLU 149 2HG GLU 149 139.831 -9.799 -9.799 1100 2HG GLU 149 1HG GLU 149 138.447 -8.728 -8.728 1101 H GLY 150 H GLY 150 141.669 -10.484 -10.484 1102 1HA GLY 150 2HA GLY 150 143.896 -10.385 -10.385 1103 2HA GLY 150 1HA GLY 150 143.290 -9.415 -9.415 1104 HA PRO 151 HA PRO 151 144.827 -13.543 -13.543 1105 1HB PRO 151 2HB PRO 151 146.592 -12.521 -12.521 1106 2HB PRO 151 1HB PRO 151 147.033 -12.872 -12.872 1107 1HG PRO 151 2HG PRO 151 146.332 -10.269 -10.269 1108 2HG PRO 151 1HG PRO 151 147.584 -10.640 -10.640 1109 1HD PRO 151 2HD PRO 151 145.216 -9.490 -9.490 1110 2HD PRO 151 1HD PRO 151 146.115 -10.552 -10.552 1111 H SER 152 H SER 152 143.554 -14.407 -14.407 1112 HA SER 152 HA SER 152 142.205 -12.613 -12.613 1113 1HB SER 152 2HB SER 152 141.277 -15.145 -15.145 1114 2HB SER 152 1HB SER 152 140.607 -14.066 -14.066 1115 HG SER 152 HG SER 152 141.697 -16.403 -16.403 1116 H ASP 153 H ASP 153 145.152 -13.840 -13.840 1117 HA ASP 153 HA ASP 153 145.675 -15.601 -15.601 1118 1HB ASP 153 2HB ASP 153 146.968 -13.286 -13.286 1119 2HB ASP 153 1HB ASP 153 147.590 -13.640 -13.640 1120 H ILE 154 H ILE 154 146.289 -15.246 -15.246 1121 HA ILE 154 HA ILE 154 144.742 -13.019 -13.019 1122 HB ILE 154 HB ILE 154 144.407 -14.663 -14.663 1123 1HG1 ILE 154 2HG1 ILE 154 145.089 -17.072 -17.072 1124 2HG1 ILE 154 1HG1 ILE 154 146.513 -16.033 -16.033 1125 1HG2 ILE 154 3HG2 ILE 154 143.046 -14.501 -14.501 1126 2HG2 ILE 154 2HG2 ILE 154 143.596 -16.171 -16.171 1127 3HG2 ILE 154 1HG2 ILE 154 142.625 -15.664 -15.664 1128 1HD1 ILE 154 2HD1 ILE 154 144.881 -16.730 -16.730 1129 2HD1 ILE 154 1HD1 ILE 154 146.411 -17.488 -17.488 1130 3HD1 ILE 154 3HD1 ILE 154 146.363 -15.775 -15.775 1131 HA PRO 155 HA PRO 155 149.155 -12.592 -12.592 1132 1HB PRO 155 2HB PRO 155 149.351 -9.907 -9.907 1133 2HB PRO 155 1HB PRO 155 149.597 -11.122 -11.122 1134 1HG PRO 155 2HG PRO 155 147.292 -9.341 -9.341 1135 2HG PRO 155 1HG PRO 155 147.899 -10.029 -10.029 1136 1HD PRO 155 2HD PRO 155 145.689 -10.931 -10.931 1137 2HD PRO 155 1HD PRO 155 146.501 -11.796 -11.796 1138 H ASP 156 HN ASP 156 149.086 -12.713 -12.713 1139 HA ASP 156 HA ASP 156 147.598 -10.588 -10.588 1140 1HB ASP 156 2HB ASP 156 146.915 -12.902 -12.902 1141 2HB ASP 156 1HB ASP 156 148.585 -13.361 -13.361 Start of MODEL 14 1 1H MET 1 3H MET 1 134.080 30.624 30.624 2 2H MET 1 2H MET 1 135.155 29.322 29.322 3 3H MET 1 1H MET 1 135.425 30.503 30.503 4 HA MET 1 HA MET 1 134.533 28.709 28.709 5 1HB MET 1 2HB MET 1 132.674 27.410 27.410 6 2HB MET 1 1HB MET 1 133.940 27.551 27.551 7 1HG MET 1 2HG MET 1 132.572 28.645 28.645 8 2HG MET 1 1HG MET 1 132.073 29.781 29.781 9 1HE MET 1 3HE MET 1 131.711 26.898 26.898 10 2HE MET 1 2HE MET 1 130.033 26.374 26.374 11 3HE MET 1 1HE MET 1 131.233 25.685 25.685 12 H GLU 2 H GLU 2 132.074 28.556 28.556 13 HA GLU 2 HA GLU 2 131.057 31.374 31.374 14 1HB GLU 2 2HB GLU 2 131.763 29.291 29.291 15 2HB GLU 2 1HB GLU 2 130.472 30.433 30.433 16 1HG GLU 2 2HG GLU 2 133.277 31.197 31.197 17 2HG GLU 2 1HG GLU 2 132.678 31.248 31.248 18 HA PRO 3 HA PRO 3 127.426 29.067 29.067 19 1HB PRO 3 2HB PRO 3 125.865 31.256 31.256 20 2HB PRO 3 1HB PRO 3 127.110 30.682 30.682 21 1HG PRO 3 2HG PRO 3 127.208 32.939 32.939 22 2HG PRO 3 1HG PRO 3 127.881 32.818 32.818 23 1HD PRO 3 2HD PRO 3 129.360 32.543 32.543 24 2HD PRO 3 1HD PRO 3 129.796 31.809 31.809 25 H ALA 4 H ALA 4 125.273 28.769 28.769 26 HA ALA 4 HA ALA 4 124.145 30.325 30.325 27 1HB ALA 4 1HB ALA 4 126.414 28.653 28.653 28 2HB ALA 4 3HB ALA 4 124.984 28.117 28.117 29 3HB ALA 4 2HB ALA 4 125.534 29.786 29.786 30 H ALA 5 H ALA 5 122.762 29.279 29.279 31 HA ALA 5 HA ALA 5 120.992 27.835 27.835 32 1HB ALA 5 2HB ALA 5 121.133 27.974 27.974 33 2HB ALA 5 1HB ALA 5 120.134 26.685 26.685 34 3HB ALA 5 3HB ALA 5 119.797 28.366 28.366 35 H GLY 6 H GLY 6 121.950 25.767 25.767 36 1HA GLY 6 2HA GLY 6 122.632 23.521 23.521 37 2HA GLY 6 1HA GLY 6 123.777 24.035 24.035 38 H SER 7 H SER 7 120.280 24.206 24.206 39 HA SER 7 HA SER 7 120.296 21.802 21.802 40 1HB SER 7 2HB SER 7 119.664 23.049 23.049 41 2HB SER 7 1HB SER 7 120.968 23.988 23.988 42 HG SER 7 HG SER 7 118.427 24.691 24.691 43 H SER 8 H SER 8 118.297 24.588 24.588 44 HA SER 8 HA SER 8 115.855 22.923 22.923 45 1HB SER 8 2HB SER 8 116.275 25.472 25.472 46 2HB SER 8 1HB SER 8 116.045 25.698 25.698 47 HG SER 8 HG SER 8 114.249 24.956 24.956 48 H MET 9 H MET 9 117.807 21.984 21.984 49 HA MET 9 HA MET 9 117.292 23.006 23.006 50 1HB MET 9 2HB MET 9 118.528 20.917 20.917 51 2HB MET 9 1HB MET 9 119.360 21.844 21.844 52 1HG MET 9 2HG MET 9 118.915 20.291 20.291 53 2HG MET 9 1HG MET 9 117.416 19.757 19.757 54 1HE MET 9 3HE MET 9 117.102 17.770 17.770 55 2HE MET 9 2HE MET 9 118.313 16.500 16.500 56 3HE MET 9 1HE MET 9 117.966 17.191 17.191 57 H GLU 10 H GLU 10 116.427 21.310 21.310 58 HA GLU 10 HA GLU 10 113.686 20.906 20.906 59 1HB GLU 10 2HB GLU 10 115.727 20.320 20.320 60 2HB GLU 10 1HB GLU 10 115.012 18.746 18.746 61 1HG GLU 10 2HG GLU 10 112.954 19.331 19.331 62 2HG GLU 10 1HG GLU 10 113.164 21.041 21.041 63 HA PRO 11 HA PRO 11 113.884 17.670 17.670 64 1HB PRO 11 2HB PRO 11 111.261 17.849 17.849 65 2HB PRO 11 1HB PRO 11 112.514 18.962 18.962 66 1HG PRO 11 2HG PRO 11 110.439 19.374 19.374 67 2HG PRO 11 1HG PRO 11 111.133 20.522 20.522 68 1HD PRO 11 2HD PRO 11 111.809 20.355 20.355 69 2HD PRO 11 1HD PRO 11 112.814 21.098 21.098 70 H SER 12 H SER 12 113.978 15.680 15.680 71 HA SER 12 HA SER 12 111.479 14.455 14.455 72 1HB SER 12 2HB SER 12 113.614 15.543 15.543 73 2HB SER 12 1HB SER 12 113.188 13.873 13.873 74 HG SER 12 HG SER 12 111.838 15.293 15.293 75 H ALA 13 H ALA 13 114.996 14.170 14.170 76 HA ALA 13 HA ALA 13 114.899 11.233 11.233 77 1HB ALA 13 3HB ALA 13 116.817 13.327 13.327 78 2HB ALA 13 2HB ALA 13 117.296 12.368 12.368 79 3HB ALA 13 1HB ALA 13 117.080 11.593 11.593 80 H ASP 14 H ASP 14 115.607 13.815 13.815 81 HA ASP 14 HA ASP 14 115.722 12.061 12.061 82 1HB ASP 14 2HB ASP 14 115.664 14.160 14.160 83 2HB ASP 14 1HB ASP 14 116.629 14.398 14.398 84 H TRP 15 H TRP 15 113.058 13.150 13.150 85 HA TRP 15 HA TRP 15 111.003 13.296 13.296 86 1HB TRP 15 2HB TRP 15 111.316 13.242 13.242 87 2HB TRP 15 1HB TRP 15 109.843 12.441 12.441 88 HD1 TRP 15 HD1 TRP 15 111.073 15.255 15.255 89 HE1 TRP 15 HE1 TRP 15 109.511 17.293 17.293 90 HE3 TRP 15 HE3 TRP 15 108.275 13.698 13.698 91 HZ2 TRP 15 HZ2 TRP 15 107.357 18.142 18.142 92 HZ3 TRP 15 HZ3 TRP 15 106.478 15.136 15.136 93 HH2 TRP 15 HH2 TRP 15 106.015 17.357 17.357 94 H LEU 16 H LEU 16 112.830 10.592 10.592 95 HA LEU 16 HA LEU 16 110.699 8.587 8.587 96 1HB LEU 16 2HB LEU 16 112.448 7.860 7.860 97 2HB LEU 16 1HB LEU 16 113.644 8.784 8.784 98 HG LEU 16 HG LEU 16 113.523 7.149 7.149 99 1HD1 LEU 16 1HD1 LEU 16 111.204 6.261 6.261 100 2HD1 LEU 16 3HD1 LEU 16 112.279 4.926 4.926 101 3HD1 LEU 16 2HD1 LEU 16 111.604 5.942 5.942 102 1HD2 LEU 16 2HD2 LEU 16 114.084 6.142 6.142 103 2HD2 LEU 16 1HD2 LEU 16 115.239 6.695 6.695 104 3HD2 LEU 16 3HD2 LEU 16 114.411 5.154 5.154 105 H ALA 17 H ALA 17 113.361 9.706 9.706 106 HA ALA 17 HA ALA 17 112.612 7.972 7.972 107 1HB ALA 17 2HB ALA 17 114.849 9.280 9.280 108 2HB ALA 17 1HB ALA 17 114.255 10.412 10.412 109 3HB ALA 17 3HB ALA 17 114.600 8.743 8.743 110 H THR 18 H THR 18 112.098 11.389 11.389 111 HA THR 18 HA THR 18 110.950 12.278 12.278 112 HB THR 18 HB THR 18 109.685 13.699 13.699 113 HG1 THR 18 HG1 THR 18 112.236 13.243 13.243 114 1HG2 THR 18 3HG2 THR 18 112.268 13.957 13.957 115 2HG2 THR 18 2HG2 THR 18 111.931 15.101 15.101 116 3HG2 THR 18 1HG2 THR 18 110.829 14.974 14.974 117 H ALA 19 H ALA 19 109.291 11.209 11.209 118 HA ALA 19 HA ALA 19 106.635 11.267 11.267 119 1HB ALA 19 3HB ALA 19 107.630 10.732 10.732 120 2HB ALA 19 2HB ALA 19 107.818 9.081 9.081 121 3HB ALA 19 1HB ALA 19 106.209 9.796 9.796 122 H ALA 20 H ALA 20 108.944 8.533 8.533 123 HA ALA 20 HA ALA 20 107.323 6.650 6.650 124 1HB ALA 20 1HB ALA 20 109.670 6.405 6.405 125 2HB ALA 20 3HB ALA 20 110.261 7.210 7.210 126 3HB ALA 20 2HB ALA 20 109.438 5.655 5.655 127 H ALA 21 H ALA 21 109.433 9.175 9.175 128 HA ALA 21 HA ALA 21 108.823 8.670 8.670 129 1HB ALA 21 3HB ALA 21 110.706 10.046 10.046 130 2HB ALA 21 2HB ALA 21 109.541 11.268 11.268 131 3HB ALA 21 1HB ALA 21 109.770 10.924 10.924 132 H ARG 22 H ARG 22 107.159 10.430 10.430 133 HA ARG 22 HA ARG 22 105.226 11.659 11.659 134 1HB ARG 22 2HB ARG 22 106.332 12.297 12.297 135 2HB ARG 22 1HB ARG 22 104.741 11.698 11.698 136 1HG ARG 22 2HG ARG 22 104.808 14.175 14.175 137 2HG ARG 22 1HG ARG 22 103.643 13.300 13.300 138 1HD ARG 22 2HD ARG 22 104.753 13.800 13.800 139 2HD ARG 22 1HD ARG 22 106.338 13.480 13.480 140 HE ARG 22 HE ARG 22 106.293 15.736 15.736 141 1HH1 ARG 22 1HH2 ARG 22 105.492 15.874 15.874 142 2HH1 ARG 22 2HH2 ARG 22 104.257 17.085 17.085 143 1HH2 ARG 22 2HH1 ARG 22 103.924 16.889 16.889 144 2HH2 ARG 22 1HH1 ARG 22 103.368 17.657 17.657 145 H GLY 23 H GLY 23 105.495 8.599 8.599 146 1HA GLY 23 2HA GLY 23 104.073 6.774 6.774 147 2HA GLY 23 1HA GLY 23 102.857 7.818 7.818 148 H ARG 24 H ARG 24 104.574 7.878 7.878 149 HA ARG 24 HA ARG 24 101.872 7.916 7.916 150 1HB ARG 24 2HB ARG 24 103.730 9.986 9.986 151 2HB ARG 24 1HB ARG 24 103.999 9.343 9.343 152 1HG ARG 24 2HG ARG 24 101.801 9.793 9.793 153 2HG ARG 24 1HG ARG 24 101.196 9.867 9.867 154 1HD ARG 24 2HD ARG 24 103.237 11.873 11.873 155 2HD ARG 24 1HD ARG 24 102.054 12.047 12.047 156 HE ARG 24 HE ARG 24 101.224 11.831 11.831 157 1HH1 ARG 24 1HH2 ARG 24 99.578 11.883 11.883 158 2HH1 ARG 24 2HH2 ARG 24 98.867 13.455 13.455 159 1HH2 ARG 24 2HH1 ARG 24 100.922 14.411 14.411 160 2HH2 ARG 24 1HH1 ARG 24 99.626 14.882 14.882 161 H VAL 25 H VAL 25 101.975 5.718 5.718 162 HA VAL 25 HA VAL 25 104.314 4.543 4.543 163 HB VAL 25 HB VAL 25 101.369 3.789 3.789 164 1HG1 VAL 25 1HG1 VAL 25 102.563 2.679 2.679 165 2HG1 VAL 25 3HG1 VAL 25 103.780 2.100 2.100 166 3HG1 VAL 25 2HG1 VAL 25 102.116 1.530 1.530 167 1HG2 VAL 25 3HG2 VAL 25 103.059 3.967 3.967 168 2HG2 VAL 25 2HG2 VAL 25 101.819 2.718 2.718 169 3HG2 VAL 25 1HG2 VAL 25 103.484 2.353 2.353 170 H GLU 26 H GLU 26 101.117 5.509 5.509 171 HA GLU 26 HA GLU 26 101.417 5.047 5.047 172 1HB GLU 26 2HB GLU 26 100.119 7.194 7.194 173 2HB GLU 26 1HB GLU 26 100.060 7.316 7.316 174 1HG GLU 26 2HG GLU 26 99.107 5.025 5.025 175 2HG GLU 26 1HG GLU 26 99.118 4.953 4.953 176 H GLU 27 H GLU 27 102.739 7.880 7.880 177 HA GLU 27 HA GLU 27 103.774 9.204 9.204 178 1HB GLU 27 2HB GLU 27 103.532 9.651 9.651 179 2HB GLU 27 1HB GLU 27 105.270 9.651 9.651 180 1HG GLU 27 2HG GLU 27 104.079 11.111 11.111 181 2HG GLU 27 1HG GLU 27 103.343 11.696 11.696 182 H VAL 28 H VAL 28 105.281 7.067 7.067 183 HA VAL 28 HA VAL 28 107.899 7.044 7.044 184 HB VAL 28 HB VAL 28 106.578 4.935 4.935 185 1HG1 VAL 28 1HG1 VAL 28 108.836 4.470 4.470 186 2HG1 VAL 28 3HG1 VAL 28 109.458 5.859 5.859 187 3HG1 VAL 28 2HG1 VAL 28 108.825 4.465 4.465 188 1HG2 VAL 28 3HG2 VAL 28 106.814 7.658 7.658 189 2HG2 VAL 28 2HG2 VAL 28 106.588 6.351 6.351 190 3HG2 VAL 28 1HG2 VAL 28 108.213 6.919 6.919 191 H ARG 29 H ARG 29 105.071 4.877 4.877 192 HA ARG 29 HA ARG 29 106.110 2.752 2.752 193 1HB ARG 29 2HB ARG 29 103.460 4.238 4.238 194 2HB ARG 29 1HB ARG 29 103.744 2.683 2.683 195 1HG ARG 29 2HG ARG 29 104.151 3.167 3.167 196 2HG ARG 29 1HG ARG 29 102.664 2.518 2.518 197 1HD ARG 29 2HD ARG 29 105.296 1.221 1.221 198 2HD ARG 29 1HD ARG 29 104.481 0.834 0.834 199 HE ARG 29 HE ARG 29 102.666 0.773 0.773 200 1HH1 ARG 29 1HH2 ARG 29 105.375 -1.005 -1.005 201 2HH1 ARG 29 2HH2 ARG 29 104.644 -2.540 -2.540 202 1HH2 ARG 29 2HH1 ARG 29 101.557 -1.182 -1.182 203 2HH2 ARG 29 1HH1 ARG 29 102.479 -2.639 -2.639 204 H ALA 30 H ALA 30 104.814 5.859 5.859 205 HA ALA 30 HA ALA 30 105.449 5.286 5.286 206 1HB ALA 30 2HB ALA 30 104.327 7.450 7.450 207 2HB ALA 30 1HB ALA 30 105.139 8.002 8.002 208 3HB ALA 30 3HB ALA 30 103.796 6.865 6.865 209 H LEU 31 H LEU 31 106.917 7.323 7.323 210 HA LEU 31 HA LEU 31 109.045 8.439 8.439 211 1HB LEU 31 2HB LEU 31 108.556 7.704 7.704 212 2HB LEU 31 1HB LEU 31 110.129 8.343 8.343 213 HG LEU 31 HG LEU 31 107.638 9.766 9.766 214 1HD1 LEU 31 2HD1 LEU 31 108.395 9.331 9.331 215 2HD1 LEU 31 1HD1 LEU 31 108.588 11.037 11.037 216 3HD1 LEU 31 3HD1 LEU 31 107.030 10.245 10.245 217 1HD2 LEU 31 1HD2 LEU 31 110.530 10.445 10.445 218 2HD2 LEU 31 3HD2 LEU 31 109.614 10.652 10.652 219 3HD2 LEU 31 2HD2 LEU 31 109.307 11.709 11.709 220 H LEU 32 H LEU 32 109.270 5.598 5.598 221 HA LEU 32 HA LEU 32 111.851 4.733 4.733 222 1HB LEU 32 2HB LEU 32 109.348 3.521 3.521 223 2HB LEU 32 1HB LEU 32 110.569 2.395 2.395 224 HG LEU 32 HG LEU 32 111.261 4.648 4.648 225 1HD1 LEU 32 1HD1 LEU 32 109.474 2.794 2.794 226 2HD1 LEU 32 3HD1 LEU 32 110.943 1.866 1.866 227 3HD1 LEU 32 2HD1 LEU 32 110.698 3.401 3.401 228 1HD2 LEU 32 1HD2 LEU 32 112.758 2.726 2.726 229 2HD2 LEU 32 3HD2 LEU 32 113.342 3.811 3.811 230 3HD2 LEU 32 2HD2 LEU 32 112.773 2.195 2.195 231 H GLU 33 H GLU 33 108.802 4.294 4.294 232 HA GLU 33 HA GLU 33 109.879 2.436 2.436 233 1HB GLU 33 2HB GLU 33 107.355 3.805 3.805 234 2HB GLU 33 1HB GLU 33 107.570 3.506 3.506 235 1HG GLU 33 2HG GLU 33 108.341 1.107 1.107 236 2HG GLU 33 1HG GLU 33 107.278 1.557 1.557 237 H ALA 34 H ALA 34 109.619 5.913 5.913 238 HA ALA 34 HA ALA 34 110.051 6.550 6.550 239 1HB ALA 34 3HB ALA 34 109.462 7.865 7.865 240 2HB ALA 34 2HB ALA 34 110.720 8.740 8.740 241 3HB ALA 34 1HB ALA 34 109.161 8.434 8.434 242 H GLY 35 H GLY 35 112.067 5.344 5.344 243 1HA GLY 35 2HA GLY 35 114.396 4.836 4.836 244 2HA GLY 35 1HA GLY 35 114.454 6.463 6.463 245 H ALA 36 H ALA 36 112.869 6.046 6.046 246 HA ALA 36 HA ALA 36 114.595 7.915 7.915 247 1HB ALA 36 1HB ALA 36 112.146 6.688 6.688 248 2HB ALA 36 3HB ALA 36 113.146 6.028 6.028 249 3HB ALA 36 2HB ALA 36 112.947 7.773 7.773 250 H LEU 37 H LEU 37 116.361 7.565 7.565 251 HA LEU 37 HA LEU 37 117.466 4.791 4.791 252 1HB LEU 37 2HB LEU 37 119.607 6.095 6.095 253 2HB LEU 37 1HB LEU 37 118.945 6.354 6.354 254 HG LEU 37 HG LEU 37 117.966 8.186 8.186 255 1HD1 LEU 37 1HD1 LEU 37 120.779 8.311 8.311 256 2HD1 LEU 37 3HD1 LEU 37 119.997 9.614 9.614 257 3HD1 LEU 37 2HD1 LEU 37 120.343 8.082 8.082 258 1HD2 LEU 37 1HD2 LEU 37 118.138 8.043 8.043 259 2HD2 LEU 37 3HD2 LEU 37 117.270 9.215 9.215 260 3HD2 LEU 37 2HD2 LEU 37 118.954 9.505 9.505 261 HA PRO 38 HA PRO 38 116.225 4.964 4.964 262 1HB PRO 38 2HB PRO 38 117.054 2.435 2.435 263 2HB PRO 38 1HB PRO 38 115.531 2.768 2.768 264 1HG PRO 38 2HG PRO 38 118.152 1.875 1.875 265 2HG PRO 38 1HG PRO 38 116.513 1.364 1.364 266 1HD PRO 38 2HD PRO 38 117.945 3.117 3.117 267 2HD PRO 38 1HD PRO 38 116.171 3.167 3.167 268 H ASN 39 H ASN 39 119.409 4.031 4.031 269 HA ASN 39 HA ASN 39 120.651 4.485 4.485 270 1HB ASN 39 2HB ASN 39 121.816 3.785 3.785 271 2HB ASN 39 1HB ASN 39 122.672 3.710 3.710 272 1HD2 ASN 39 1HD2 ASN 39 120.392 2.614 2.614 273 2HD2 ASN 39 2HD2 ASN 39 120.189 1.013 1.013 274 H ALA 40 H ALA 40 119.391 6.786 6.786 275 HA ALA 40 HA ALA 40 121.424 8.471 8.471 276 1HB ALA 40 3HB ALA 40 118.743 8.328 8.328 277 2HB ALA 40 2HB ALA 40 118.882 9.525 9.525 278 3HB ALA 40 1HB ALA 40 119.609 9.838 9.838 279 HA PRO 41 HA PRO 41 123.047 10.169 10.169 280 1HB PRO 41 2HB PRO 41 123.526 12.760 12.760 281 2HB PRO 41 1HB PRO 41 124.534 11.392 11.392 282 1HG PRO 41 2HG PRO 41 122.341 12.788 12.788 283 2HG PRO 41 1HG PRO 41 123.909 12.214 12.214 284 1HD PRO 41 2HD PRO 41 121.615 10.852 10.852 285 2HD PRO 41 1HD PRO 41 123.183 10.036 10.036 286 H ASN 42 H ASN 42 121.048 10.021 10.021 287 HA ASN 42 HA ASN 42 118.876 11.844 11.844 288 1HB ASN 42 2HB ASN 42 120.079 10.012 10.012 289 2HB ASN 42 1HB ASN 42 118.703 11.026 11.026 290 1HD2 ASN 42 1HD2 ASN 42 119.613 8.100 8.100 291 2HD2 ASN 42 2HD2 ASN 42 118.101 7.731 7.731 292 H SER 43 H SER 43 118.400 13.720 13.720 293 HA SER 43 HA SER 43 120.786 15.307 15.307 294 1HB SER 43 2HB SER 43 118.288 15.768 15.768 295 2HB SER 43 1HB SER 43 118.186 16.563 16.563 296 HG SER 43 HG SER 43 119.959 17.768 17.768 297 H TYR 44 H TYR 44 119.696 13.038 13.038 298 HA TYR 44 HA TYR 44 119.838 14.494 14.494 299 1HB TYR 44 2HB TYR 44 117.527 13.067 13.067 300 2HB TYR 44 1HB TYR 44 117.586 14.785 14.785 301 HD1 TYR 44 HD2 TYR 44 118.032 11.710 11.710 302 HD2 TYR 44 HD1 TYR 44 115.846 15.336 15.336 303 HE1 TYR 44 HE2 TYR 44 116.716 11.318 11.318 304 HE2 TYR 44 HE1 TYR 44 114.529 14.941 14.941 305 HH TYR 44 HH TYR 44 115.351 12.387 12.387 306 H GLY 45 H GLY 45 121.164 12.221 12.221 307 1HA GLY 45 2HA GLY 45 122.065 10.114 10.114 308 2HA GLY 45 1HA GLY 45 121.873 10.569 10.569 309 H ARG 46 H ARG 46 119.240 10.277 10.277 310 HA ARG 46 HA ARG 46 118.202 7.949 7.949 311 1HB ARG 46 2HB ARG 46 117.160 10.565 10.565 312 2HB ARG 46 1HB ARG 46 116.109 9.345 9.345 313 1HG ARG 46 2HG ARG 46 115.433 9.890 9.890 314 2HG ARG 46 1HG ARG 46 115.929 8.205 8.205 315 1HD ARG 46 2HD ARG 46 117.647 8.492 8.492 316 2HD ARG 46 1HD ARG 46 118.191 9.961 9.961 317 HE ARG 46 HE ARG 46 115.772 10.600 10.600 318 1HH1 ARG 46 1HH2 ARG 46 118.210 12.211 12.211 319 2HH1 ARG 46 2HH2 ARG 46 118.624 11.882 11.882 320 1HH2 ARG 46 2HH1 ARG 46 116.637 9.050 9.050 321 2HH2 ARG 46 1HH1 ARG 46 117.733 10.094 10.094 322 H ARG 47 H ARG 47 119.128 6.426 6.426 323 HA ARG 47 HA ARG 47 118.953 6.426 6.426 324 1HB ARG 47 2HB ARG 47 119.449 4.595 4.595 325 2HB ARG 47 1HB ARG 47 118.645 3.777 3.777 326 1HG ARG 47 2HG ARG 47 120.408 4.120 4.120 327 2HG ARG 47 1HG ARG 47 120.904 5.613 5.613 328 1HD ARG 47 2HD ARG 47 121.138 3.208 3.208 329 2HD ARG 47 1HD ARG 47 122.222 3.231 3.231 330 HE ARG 47 HE ARG 47 122.122 5.340 5.340 331 1HH1 ARG 47 2HH1 ARG 47 122.875 6.484 6.484 332 2HH1 ARG 47 1HH1 ARG 47 124.597 6.295 6.295 333 1HH2 ARG 47 1HH2 ARG 47 124.633 3.969 3.969 334 2HH2 ARG 47 2HH2 ARG 47 125.591 4.874 4.874 335 HA PRO 48 HA PRO 48 114.784 5.448 5.448 336 1HB PRO 48 2HB PRO 48 114.859 3.078 3.078 337 2HB PRO 48 1HB PRO 48 115.425 4.618 4.618 338 1HG PRO 48 2HG PRO 48 117.001 2.415 2.415 339 2HG PRO 48 1HG PRO 48 117.342 3.344 3.344 340 1HD PRO 48 2HD PRO 48 118.569 3.868 3.868 341 2HD PRO 48 1HD PRO 48 118.149 5.162 5.162 342 H ILE 49 H ILE 49 112.943 4.098 4.098 343 HA ILE 49 HA ILE 49 111.786 2.618 2.618 344 HB ILE 49 HB ILE 49 114.493 1.235 1.235 345 1HG1 ILE 49 2HG1 ILE 49 112.125 1.053 1.053 346 2HG1 ILE 49 1HG1 ILE 49 113.825 1.279 1.279 347 1HG2 ILE 49 3HG2 ILE 49 112.514 0.768 0.768 348 2HG2 ILE 49 2HG2 ILE 49 111.864 -0.152 -0.152 349 3HG2 ILE 49 1HG2 ILE 49 113.447 -0.557 -0.557 350 1HD1 ILE 49 2HD1 ILE 49 114.194 -1.033 -1.033 351 2HD1 ILE 49 1HD1 ILE 49 112.444 -1.222 -1.222 352 3HD1 ILE 49 3HD1 ILE 49 113.416 -1.000 -1.000 353 H GLN 50 H GLN 50 115.126 2.965 2.965 354 HA GLN 50 HA GLN 50 114.543 3.021 3.021 355 1HB GLN 50 2HB GLN 50 116.780 3.037 3.037 356 2HB GLN 50 1HB GLN 50 116.516 4.703 4.703 357 1HG GLN 50 2HG GLN 50 116.493 5.492 5.492 358 2HG GLN 50 1HG GLN 50 116.405 3.850 3.850 359 1HE2 GLN 50 1HE2 GLN 50 118.383 2.653 2.653 360 2HE2 GLN 50 2HE2 GLN 50 119.898 3.312 3.312 361 H VAL 51 H VAL 51 113.774 5.379 5.379 362 HA VAL 51 HA VAL 51 112.740 7.240 7.240 363 HB VAL 51 HB VAL 51 114.780 7.969 7.969 364 1HG1 VAL 51 3HG1 VAL 51 114.098 6.822 6.822 365 2HG1 VAL 51 2HG1 VAL 51 112.859 8.056 8.056 366 3HG1 VAL 51 1HG1 VAL 51 114.562 8.507 8.507 367 1HG2 VAL 51 2HG2 VAL 51 112.162 9.438 9.438 368 2HG2 VAL 51 1HG2 VAL 51 113.631 9.806 9.806 369 3HG2 VAL 51 3HG2 VAL 51 113.550 10.145 10.145 370 H MET 52 H MET 52 111.261 5.025 5.025 371 HA MET 52 HA MET 52 109.431 6.434 6.434 372 1HB MET 52 2HB MET 52 108.654 4.162 4.162 373 2HB MET 52 1HB MET 52 110.413 4.227 4.227 374 1HG MET 52 2HG MET 52 110.579 2.617 2.617 375 2HG MET 52 1HG MET 52 109.669 3.602 3.602 376 1HE MET 52 3HE MET 52 110.114 0.535 0.535 377 2HE MET 52 2HE MET 52 109.086 0.590 0.590 378 3HE MET 52 1HE MET 52 108.572 -0.329 -0.329 379 H MET 53 H MET 53 109.375 7.112 7.112 380 HA MET 53 HA MET 53 107.746 7.531 7.531 381 1HB MET 53 2HB MET 53 106.435 7.697 7.697 382 2HB MET 53 1HB MET 53 105.783 6.117 6.117 383 1HG MET 53 2HG MET 53 105.034 7.048 7.048 384 2HG MET 53 1HG MET 53 105.635 8.633 8.633 385 1HE MET 53 1HE MET 53 103.896 5.650 5.650 386 2HE MET 53 3HE MET 53 102.209 6.162 6.162 387 3HE MET 53 2HE MET 53 102.972 6.064 6.064 388 H MET 54 H MET 54 108.506 4.368 4.368 389 HA MET 54 HA MET 54 108.232 2.244 2.244 390 1HB MET 54 2HB MET 54 108.694 4.321 4.321 391 2HB MET 54 1HB MET 54 108.188 2.738 2.738 392 1HG MET 54 2HG MET 54 110.687 3.000 3.000 393 2HG MET 54 1HG MET 54 110.031 1.651 1.651 394 1HE MET 54 2HE MET 54 110.839 1.042 1.042 395 2HE MET 54 1HE MET 54 110.879 1.843 1.843 396 3HE MET 54 3HE MET 54 112.330 1.786 1.786 397 H GLY 55 H GLY 55 105.762 3.777 3.777 398 1HA GLY 55 2HA GLY 55 103.873 2.291 2.291 399 2HA GLY 55 1HA GLY 55 103.545 3.967 3.967 400 H SER 56 H SER 56 105.151 2.289 2.289 401 HA SER 56 HA SER 56 102.640 1.400 1.400 402 1HB SER 56 2HB SER 56 104.062 3.848 3.848 403 2HB SER 56 1HB SER 56 104.243 2.828 2.828 404 HG SER 56 HG SER 56 101.758 3.274 3.274 405 H ALA 57 H ALA 57 103.910 -0.644 -0.644 406 HA ALA 57 HA ALA 57 106.397 -1.474 -1.474 407 1HB ALA 57 3HB ALA 57 103.719 -2.825 -2.825 408 2HB ALA 57 2HB ALA 57 105.132 -3.745 -3.745 409 3HB ALA 57 1HB ALA 57 105.134 -2.929 -2.929 410 H ARG 58 H ARG 58 103.467 -0.959 -0.959 411 HA ARG 58 HA ARG 58 104.114 -2.412 -2.412 412 1HB ARG 58 2HB ARG 58 102.349 -0.218 -0.218 413 2HB ARG 58 1HB ARG 58 102.751 -0.166 -0.166 414 1HG ARG 58 2HG ARG 58 101.654 -2.131 -2.131 415 2HG ARG 58 1HG ARG 58 102.027 -2.829 -2.829 416 1HD ARG 58 2HD ARG 58 100.335 -0.570 -0.570 417 2HD ARG 58 1HD ARG 58 99.590 -1.528 -1.528 418 HE ARG 58 HE ARG 58 100.108 -3.535 -3.535 419 1HH1 ARG 58 2HH1 ARG 58 100.863 -1.076 -1.076 420 2HH1 ARG 58 1HH1 ARG 58 99.532 -1.188 -1.188 421 1HH2 ARG 58 1HH2 ARG 58 97.724 -3.373 -3.373 422 2HH2 ARG 58 2HH2 ARG 58 97.757 -2.495 -2.495 423 H VAL 59 H VAL 59 105.213 0.744 0.744 424 HA VAL 59 HA VAL 59 106.453 1.576 1.576 425 HB VAL 59 HB VAL 59 107.002 2.370 2.370 426 1HG1 VAL 59 1HG1 VAL 59 108.738 3.060 3.060 427 2HG1 VAL 59 3HG1 VAL 59 107.485 3.860 3.860 428 3HG1 VAL 59 2HG1 VAL 59 107.870 4.439 4.439 429 1HG2 VAL 59 2HG2 VAL 59 104.600 2.582 2.582 430 2HG2 VAL 59 1HG2 VAL 59 105.350 4.087 4.087 431 3HG2 VAL 59 3HG2 VAL 59 105.200 3.735 3.735 432 H ALA 60 H ALA 60 107.770 0.210 0.210 433 HA ALA 60 HA ALA 60 110.469 0.026 0.026 434 1HB ALA 60 1HB ALA 60 108.441 -1.422 -1.422 435 2HB ALA 60 3HB ALA 60 109.783 -2.471 -2.471 436 3HB ALA 60 2HB ALA 60 110.089 -1.000 -1.000 437 H GLU 61 H GLU 61 107.982 -2.284 -2.284 438 HA GLU 61 HA GLU 61 109.692 -4.049 -4.049 439 1HB GLU 61 2HB GLU 61 106.992 -3.720 -3.720 440 2HB GLU 61 1HB GLU 61 107.080 -3.459 -3.459 441 1HG GLU 61 2HG GLU 61 108.751 -5.692 -5.692 442 2HG GLU 61 1HG GLU 61 107.187 -5.937 -5.937 443 H LEU 62 H LEU 62 107.805 -1.278 -1.278 444 HA LEU 62 HA LEU 62 108.621 -1.141 -1.141 445 1HB LEU 62 2HB LEU 62 107.340 0.443 0.443 446 2HB LEU 62 1HB LEU 62 108.751 1.415 1.415 447 HG LEU 62 HG LEU 62 106.514 0.487 0.487 448 1HD1 LEU 62 3HD1 LEU 62 107.510 2.950 2.950 449 2HD1 LEU 62 2HD1 LEU 62 107.544 3.047 3.047 450 3HD1 LEU 62 1HD1 LEU 62 106.037 2.678 2.678 451 1HD2 LEU 62 2HD2 LEU 62 109.380 0.760 0.760 452 2HD2 LEU 62 1HD2 LEU 62 108.094 -0.157 -0.157 453 3HD2 LEU 62 3HD2 LEU 62 108.231 1.581 1.581 454 H LEU 63 H LEU 63 110.318 0.505 0.505 455 HA LEU 63 HA LEU 63 112.605 1.255 1.255 456 1HB LEU 63 2HB LEU 63 111.939 1.076 1.076 457 2HB LEU 63 1HB LEU 63 113.531 1.604 1.604 458 HG LEU 63 HG LEU 63 112.164 3.218 3.218 459 1HD1 LEU 63 1HD1 LEU 63 110.146 2.152 2.152 460 2HD1 LEU 63 3HD1 LEU 63 110.116 3.893 3.893 461 3HD1 LEU 63 2HD1 LEU 63 109.931 2.784 2.784 462 1HD2 LEU 63 1HD2 LEU 63 112.877 3.415 3.415 463 2HD2 LEU 63 3HD2 LEU 63 113.454 4.368 4.368 464 3HD2 LEU 63 2HD2 LEU 63 111.875 4.707 4.707 465 H LEU 64 H LEU 64 112.364 -1.181 -1.181 466 HA LEU 64 HA LEU 64 114.883 -2.366 -2.366 467 1HB LEU 64 2HB LEU 64 112.605 -2.827 -2.827 468 2HB LEU 64 1HB LEU 64 112.576 -4.208 -4.208 469 HG LEU 64 HG LEU 64 114.828 -3.422 -3.422 470 1HD1 LEU 64 2HD1 LEU 64 112.546 -5.248 -5.248 471 2HD1 LEU 64 1HD1 LEU 64 114.082 -6.068 -6.068 472 3HD1 LEU 64 3HD1 LEU 64 113.620 -4.689 -4.689 473 1HD2 LEU 64 2HD2 LEU 64 114.637 -5.567 -5.567 474 2HD2 LEU 64 1HD2 LEU 64 115.837 -4.281 -4.281 475 3HD2 LEU 64 3HD2 LEU 64 115.835 -5.603 -5.603 476 H LEU 65 H LEU 65 111.931 -3.405 -3.405 477 HA LEU 65 HA LEU 65 113.076 -5.395 -5.395 478 1HB LEU 65 2HB LEU 65 110.732 -5.224 -5.224 479 2HB LEU 65 1HB LEU 65 110.768 -3.476 -3.476 480 HG LEU 65 HG LEU 65 111.620 -3.822 -3.822 481 1HD1 LEU 65 2HD1 LEU 65 111.718 -6.566 -6.566 482 2HD1 LEU 65 1HD1 LEU 65 110.785 -6.442 -6.442 483 3HD1 LEU 65 3HD1 LEU 65 112.451 -5.867 -5.867 484 1HD2 LEU 65 3HD2 LEU 65 109.030 -4.005 -4.005 485 2HD2 LEU 65 2HD2 LEU 65 109.465 -3.758 -3.758 486 3HD2 LEU 65 1HD2 LEU 65 109.147 -5.386 -5.386 487 H HIS 66 H HIS 66 113.038 -1.881 -1.881 488 HA HIS 66 HA HIS 66 114.179 -1.883 -1.883 489 1HB HIS 66 2HB HIS 66 113.106 -0.074 -0.074 490 2HB HIS 66 1HB HIS 66 114.371 0.622 0.622 491 HD1 HIS 66 HD1 HIS 66 113.756 1.305 1.305 492 HD2 HIS 66 HD2 HIS 66 110.862 -1.117 -1.117 493 HE1 HIS 66 HE1 HIS 66 111.788 1.250 1.250 494 H GLY 67 H GLY 67 115.346 -0.986 -0.986 495 1HA GLY 67 2HA GLY 67 117.839 -2.095 -2.095 496 2HA GLY 67 1HA GLY 67 118.047 -0.612 -0.612 497 H ALA 68 H ALA 68 116.003 -1.163 -1.163 498 HA ALA 68 HA ALA 68 116.896 1.314 1.314 499 1HB ALA 68 2HB ALA 68 114.711 0.167 0.167 500 2HB ALA 68 1HB ALA 68 115.573 -1.118 -1.118 501 3HB ALA 68 3HB ALA 68 115.567 0.520 0.520 502 H GLU 69 H GLU 69 117.611 0.873 0.873 503 HA GLU 69 HA GLU 69 120.067 -0.841 -0.841 504 1HB GLU 69 2HB GLU 69 119.534 1.901 1.901 505 2HB GLU 69 1HB GLU 69 120.929 0.950 0.950 506 1HG GLU 69 2HG GLU 69 120.509 1.109 1.109 507 2HG GLU 69 1HG GLU 69 120.966 2.621 2.621 508 HA PRO 70 HA PRO 70 117.187 -2.098 -2.098 509 1HB PRO 70 2HB PRO 70 117.068 -4.748 -4.748 510 2HB PRO 70 1HB PRO 70 115.938 -3.529 -3.529 511 1HG PRO 70 2HG PRO 70 118.365 -4.690 -4.690 512 2HG PRO 70 1HG PRO 70 116.778 -4.333 -4.333 513 1HD PRO 70 2HD PRO 70 118.906 -2.712 -2.712 514 2HD PRO 70 1HD PRO 70 117.241 -2.094 -2.094 515 H ASN 71 H ASN 71 120.157 -3.352 -3.352 516 HA ASN 71 HA ASN 71 120.918 -4.750 -4.750 517 1HB ASN 71 2HB ASN 71 121.290 -5.338 -5.338 518 2HB ASN 71 1HB ASN 71 122.752 -4.385 -4.385 519 1HD2 ASN 71 1HD2 ASN 71 124.460 -5.364 -5.364 520 2HD2 ASN 71 2HD2 ASN 71 124.358 -6.902 -6.902 521 H CYS 72 H CYS 72 122.580 -2.404 -2.404 522 HA CYS 72 HA CYS 72 124.531 -1.529 -1.529 523 1HB CYS 72 2HB CYS 72 123.494 -0.844 -0.844 524 2HB CYS 72 1HB CYS 72 123.562 0.654 0.654 525 HG CYS 72 HG CYS 72 125.916 0.094 0.094 526 H ALA 73 H ALA 73 124.547 0.823 0.823 527 HA ALA 73 HA ALA 73 121.975 1.895 1.895 528 1HB ALA 73 1HB ALA 73 122.396 -0.168 -0.168 529 2HB ALA 73 3HB ALA 73 123.863 0.600 0.600 530 3HB ALA 73 2HB ALA 73 122.284 1.310 1.310 531 H ASP 74 H ASP 74 122.736 3.450 3.450 532 HA ASP 74 HA ASP 74 124.658 5.310 5.310 533 1HB ASP 74 2HB ASP 74 122.444 5.323 5.323 534 2HB ASP 74 1HB ASP 74 123.824 6.160 6.160 535 HA PRO 75 HA PRO 75 128.016 3.627 3.627 536 1HB PRO 75 2HB PRO 75 129.817 5.653 5.653 537 2HB PRO 75 1HB PRO 75 129.444 4.422 4.422 538 1HG PRO 75 2HG PRO 75 128.417 7.209 7.209 539 2HG PRO 75 1HG PRO 75 128.926 6.324 6.324 540 1HD PRO 75 2HD PRO 75 126.326 6.660 6.660 541 2HD PRO 75 1HD PRO 75 126.923 5.209 5.209 542 H ALA 76 H ALA 76 126.415 6.643 6.643 543 HA ALA 76 HA ALA 76 127.782 7.780 7.780 544 1HB ALA 76 3HB ALA 76 124.849 7.453 7.453 545 2HB ALA 76 2HB ALA 76 125.395 8.465 8.465 546 3HB ALA 76 1HB ALA 76 125.878 8.849 8.849 547 H THR 77 H THR 77 124.769 6.087 6.087 548 HA THR 77 HA THR 77 126.220 4.713 4.713 549 HB THR 77 HB THR 77 124.047 4.760 4.760 550 HG1 THR 77 HG1 THR 77 122.254 5.512 5.512 551 1HG2 THR 77 3HG2 THR 77 124.977 7.348 7.348 552 2HG2 THR 77 2HG2 THR 77 123.650 7.305 7.305 553 3HG2 THR 77 1HG2 THR 77 125.255 6.748 6.748 554 H LEU 78 H LEU 78 126.033 3.736 3.736 555 HA LEU 78 HA LEU 78 125.454 1.766 1.766 556 1HB LEU 78 2HB LEU 78 126.003 1.193 1.193 557 2HB LEU 78 1HB LEU 78 125.053 -0.062 -0.062 558 HG LEU 78 HG LEU 78 127.743 1.008 1.008 559 1HD1 LEU 78 2HD1 LEU 78 126.791 -1.638 -1.638 560 2HD1 LEU 78 1HD1 LEU 78 128.357 -1.429 -1.429 561 3HD1 LEU 78 3HD1 LEU 78 127.988 -0.544 -0.544 562 1HD2 LEU 78 1HD2 LEU 78 125.697 -0.755 -0.755 563 2HD2 LEU 78 3HD2 LEU 78 126.686 0.519 0.519 564 3HD2 LEU 78 2HD2 LEU 78 127.411 -1.036 -1.036 565 H THR 79 H THR 79 123.202 3.564 3.564 566 HA THR 79 HA THR 79 120.975 2.081 2.081 567 HB THR 79 HB THR 79 120.656 4.247 4.247 568 HG1 THR 79 HG1 THR 79 121.124 5.650 5.650 569 1HG2 THR 79 1HG2 THR 79 118.978 3.013 3.013 570 2HG2 THR 79 3HG2 THR 79 119.449 4.474 4.474 571 3HG2 THR 79 2HG2 THR 79 118.695 4.596 4.596 572 H ARG 80 H ARG 80 120.740 0.061 0.061 573 HA ARG 80 HA ARG 80 120.800 -0.331 -0.331 574 1HB ARG 80 2HB ARG 80 120.982 -1.877 -1.877 575 2HB ARG 80 1HB ARG 80 119.300 -2.169 -2.169 576 1HG ARG 80 2HG ARG 80 120.873 -3.816 -3.816 577 2HG ARG 80 1HG ARG 80 119.928 -2.926 -2.926 578 1HD ARG 80 2HD ARG 80 121.801 -2.026 -2.026 579 2HD ARG 80 1HD ARG 80 122.446 -1.568 -1.568 580 HE ARG 80 HE ARG 80 123.480 -3.732 -3.732 581 1HH1 ARG 80 1HH2 ARG 80 120.910 -4.528 -4.528 582 2HH1 ARG 80 2HH2 ARG 80 121.790 -5.413 -5.413 583 1HH2 ARG 80 2HH1 ARG 80 124.894 -4.372 -4.372 584 2HH2 ARG 80 1HH1 ARG 80 124.039 -5.327 -5.327 585 HA PRO 81 HA PRO 81 116.672 1.002 1.002 586 1HB PRO 81 2HB PRO 81 116.143 -0.610 -0.610 587 2HB PRO 81 1HB PRO 81 117.200 0.816 0.816 588 1HG PRO 81 2HG PRO 81 117.935 -2.064 -2.064 589 2HG PRO 81 1HG PRO 81 118.660 -0.824 -0.824 590 1HD PRO 81 2HD PRO 81 119.799 -1.563 -1.563 591 2HD PRO 81 1HD PRO 81 119.862 0.118 0.118 592 H VAL 82 H VAL 82 117.536 -2.287 -2.287 593 HA VAL 82 HA VAL 82 115.013 -3.593 -3.593 594 HB VAL 82 HB VAL 82 117.589 -3.837 -3.837 595 1HG1 VAL 82 3HG1 VAL 82 115.080 -5.505 -5.505 596 2HG1 VAL 82 2HG1 VAL 82 116.665 -6.163 -6.163 597 3HG1 VAL 82 1HG1 VAL 82 116.022 -4.797 -4.797 598 1HG2 VAL 82 3HG2 VAL 82 116.409 -4.971 -4.971 599 2HG2 VAL 82 2HG2 VAL 82 118.097 -4.663 -4.663 600 3HG2 VAL 82 1HG2 VAL 82 117.295 -6.107 -6.107 601 H HIS 83 H HIS 83 116.426 -1.252 -1.252 602 HA HIS 83 HA HIS 83 114.676 -1.782 -1.782 603 1HB HIS 83 2HB HIS 83 116.290 0.657 0.657 604 2HB HIS 83 1HB HIS 83 115.590 0.398 0.398 605 HD2 HIS 83 HD2 HIS 83 117.448 -0.794 -0.794 606 HE1 HIS 83 HE1 HIS 83 119.659 -2.872 -2.872 607 HE2 HIS 83 HE2 HIS 83 119.456 -2.355 -2.355 608 H ASP 84 H ASP 84 114.687 0.509 0.509 609 HA ASP 84 HA ASP 84 112.523 2.170 2.170 610 1HB ASP 84 2HB ASP 84 113.857 1.057 1.057 611 2HB ASP 84 1HB ASP 84 112.276 1.772 1.772 612 H ALA 85 H ALA 85 112.422 -1.078 -1.078 613 HA ALA 85 HA ALA 85 109.580 -1.213 -1.213 614 1HB ALA 85 1HB ALA 85 111.492 -2.675 -2.675 615 2HB ALA 85 3HB ALA 85 111.447 -3.515 -3.515 616 3HB ALA 85 2HB ALA 85 110.031 -3.526 -3.526 617 H ALA 86 H ALA 86 111.520 -2.927 -2.927 618 HA ALA 86 HA ALA 86 109.351 -3.610 -3.610 619 1HB ALA 86 2HB ALA 86 111.918 -4.257 -4.257 620 2HB ALA 86 1HB ALA 86 112.081 -2.993 -2.993 621 3HB ALA 86 3HB ALA 86 111.054 -4.390 -4.390 622 H ARG 87 H ARG 87 111.674 -0.902 -0.902 623 HA ARG 87 HA ARG 87 110.825 0.356 0.356 624 1HB ARG 87 2HB ARG 87 112.630 1.141 1.141 625 2HB ARG 87 1HB ARG 87 111.480 1.569 1.569 626 1HG ARG 87 2HG ARG 87 111.185 3.596 3.596 627 2HG ARG 87 1HG ARG 87 110.655 2.844 2.844 628 1HD ARG 87 2HD ARG 87 112.642 3.273 3.273 629 2HD ARG 87 1HD ARG 87 113.567 2.694 2.694 630 HE ARG 87 HE ARG 87 112.504 5.455 5.455 631 1HH1 ARG 87 2HH1 ARG 87 115.348 4.073 4.073 632 2HH1 ARG 87 1HH1 ARG 87 115.635 4.769 4.769 633 1HH2 ARG 87 1HH2 ARG 87 112.392 5.929 5.929 634 2HH2 ARG 87 2HH2 ARG 87 113.961 5.814 5.814 635 H GLU 88 H GLU 88 109.089 0.398 0.398 636 HA GLU 88 HA GLU 88 106.990 2.163 2.163 637 1HB GLU 88 2HB GLU 88 108.210 2.012 2.012 638 2HB GLU 88 1HB GLU 88 106.732 1.096 1.096 639 1HG GLU 88 2HG GLU 88 105.837 3.165 3.165 640 2HG GLU 88 1HG GLU 88 105.726 3.210 3.210 641 H GLY 89 H GLY 89 107.634 -1.159 -1.159 642 1HA GLY 89 2HA GLY 89 106.270 -2.961 -2.961 643 2HA GLY 89 1HA GLY 89 104.913 -1.841 -1.841 644 H PHE 90 H PHE 90 106.797 -1.866 -1.866 645 HA PHE 90 HA PHE 90 104.416 -2.922 -2.922 646 1HB PHE 90 2HB PHE 90 106.072 -0.752 -0.752 647 2HB PHE 90 1HB PHE 90 106.752 -1.911 -1.911 648 HD1 PHE 90 HD2 PHE 90 104.934 -3.250 -3.250 649 HD2 PHE 90 HD1 PHE 90 104.291 0.567 0.567 650 HE1 PHE 90 HE2 PHE 90 103.062 -2.797 -2.797 651 HE2 PHE 90 HE1 PHE 90 102.424 1.016 1.016 652 HZ PHE 90 HZ PHE 90 101.816 -0.660 -0.660 653 H LEU 91 H LEU 91 104.883 -5.194 -5.194 654 HA LEU 91 HA LEU 91 107.313 -6.555 -6.555 655 1HB LEU 91 2HB LEU 91 104.715 -7.132 -7.132 656 2HB LEU 91 1HB LEU 91 104.931 -8.115 -8.115 657 HG LEU 91 HG LEU 91 106.541 -8.144 -8.144 658 1HD1 LEU 91 1HD1 LEU 91 105.119 -10.194 -10.194 659 2HD1 LEU 91 3HD1 LEU 91 106.175 -10.624 -10.624 660 3HD1 LEU 91 2HD1 LEU 91 104.711 -9.685 -9.685 661 1HD2 LEU 91 3HD2 LEU 91 107.483 -8.657 -8.657 662 2HD2 LEU 91 2HD2 LEU 91 108.415 -8.318 -8.318 663 3HD2 LEU 91 1HD2 LEU 91 107.827 -9.952 -9.952 664 H ASP 92 H ASP 92 104.580 -5.863 -5.863 665 HA ASP 92 HA ASP 92 105.270 -7.404 -7.404 666 1HB ASP 92 2HB ASP 92 103.292 -5.856 -5.856 667 2HB ASP 92 1HB ASP 92 104.349 -4.518 -4.518 668 H THR 93 H THR 93 106.594 -4.256 -4.256 669 HA THR 93 HA THR 93 108.282 -3.768 -3.768 670 HB THR 93 HB THR 93 108.494 -3.076 -3.076 671 HG1 THR 93 HG1 THR 93 106.671 -2.369 -2.369 672 1HG2 THR 93 2HG2 THR 93 110.640 -2.897 -2.897 673 2HG2 THR 93 1HG2 THR 93 109.809 -1.513 -1.513 674 3HG2 THR 93 3HG2 THR 93 110.180 -1.528 -1.528 675 H LEU 94 H LEU 94 108.699 -5.792 -5.792 676 HA LEU 94 HA LEU 94 111.528 -6.305 -6.305 677 1HB LEU 94 2HB LEU 94 109.231 -7.458 -7.458 678 2HB LEU 94 1HB LEU 94 110.765 -8.322 -8.322 679 HG LEU 94 HG LEU 94 111.583 -5.742 -5.742 680 1HD1 LEU 94 1HD1 LEU 94 109.109 -5.181 -5.181 681 2HD1 LEU 94 3HD1 LEU 94 109.123 -6.205 -6.205 682 3HD1 LEU 94 2HD1 LEU 94 110.133 -4.761 -4.761 683 1HD2 LEU 94 1HD2 LEU 94 110.829 -7.884 -7.884 684 2HD2 LEU 94 3HD2 LEU 94 112.357 -7.784 -7.784 685 3HD2 LEU 94 2HD2 LEU 94 111.930 -6.543 -6.543 686 H VAL 95 H VAL 95 108.601 -8.265 -8.265 687 HA VAL 95 HA VAL 95 109.788 -10.527 -10.527 688 HB VAL 95 HB VAL 95 107.280 -9.026 -9.026 689 1HG1 VAL 95 2HG1 VAL 95 108.516 -11.461 -11.461 690 2HG1 VAL 95 1HG1 VAL 95 106.947 -11.818 -11.818 691 3HG1 VAL 95 3HG1 VAL 95 107.069 -10.639 -10.639 692 1HG2 VAL 95 1HG2 VAL 95 107.790 -9.935 -9.935 693 2HG2 VAL 95 3HG2 VAL 95 106.180 -9.999 -9.999 694 3HG2 VAL 95 2HG2 VAL 95 107.207 -11.432 -11.432 695 H VAL 96 H VAL 96 108.929 -7.444 -7.444 696 HA VAL 96 HA VAL 96 109.776 -8.125 -8.125 697 HB VAL 96 HB VAL 96 109.832 -5.439 -5.439 698 1HG1 VAL 96 3HG1 VAL 96 110.735 -6.043 -6.043 699 2HG1 VAL 96 2HG1 VAL 96 109.043 -5.671 -5.671 700 3HG1 VAL 96 1HG1 VAL 96 110.069 -4.472 -4.472 701 1HG2 VAL 96 2HG2 VAL 96 107.641 -7.210 -7.210 702 2HG2 VAL 96 1HG2 VAL 96 107.585 -5.580 -5.580 703 3HG2 VAL 96 3HG2 VAL 96 107.492 -5.818 -5.818 704 H LEU 97 H LEU 97 111.506 -6.438 -6.438 705 HA LEU 97 HA LEU 97 113.991 -6.034 -6.034 706 1HB LEU 97 2HB LEU 97 112.871 -6.154 -6.154 707 2HB LEU 97 1HB LEU 97 114.581 -6.576 -6.576 708 HG LEU 97 HG LEU 97 114.353 -4.350 -4.350 709 1HD1 LEU 97 2HD1 LEU 97 112.550 -4.139 -4.139 710 2HD1 LEU 97 1HD1 LEU 97 113.333 -2.711 -2.711 711 3HD1 LEU 97 3HD1 LEU 97 112.226 -3.659 -3.659 712 1HD2 LEU 97 2HD2 LEU 97 115.620 -5.109 -5.109 713 2HD2 LEU 97 1HD2 LEU 97 116.226 -4.062 -4.062 714 3HD2 LEU 97 3HD2 LEU 97 115.199 -3.398 -3.398 715 H HIS 98 H HIS 98 113.493 -8.568 -8.568 716 HA HIS 98 HA HIS 98 115.702 -10.171 -10.171 717 1HB HIS 98 2HB HIS 98 113.824 -10.251 -10.251 718 2HB HIS 98 1HB HIS 98 112.979 -11.287 -11.287 719 HD1 HIS 98 HD1 HIS 98 113.253 -13.438 -13.438 720 HD2 HIS 98 HD2 HIS 98 116.878 -11.604 -11.604 721 HE1 HIS 98 HE1 HIS 98 115.072 -15.083 -15.083 722 H ARG 99 H ARG 99 112.590 -10.097 -10.097 723 HA ARG 99 HA ARG 99 112.899 -12.453 -12.453 724 1HB ARG 99 2HB ARG 99 110.766 -11.428 -11.428 725 2HB ARG 99 1HB ARG 99 111.412 -9.840 -9.840 726 1HG ARG 99 2HG ARG 99 111.638 -10.377 -10.377 727 2HG ARG 99 1HG ARG 99 111.591 -12.113 -12.113 728 1HD ARG 99 2HD ARG 99 109.169 -11.544 -11.544 729 2HD ARG 99 1HD ARG 99 109.326 -10.159 -10.159 730 HE ARG 99 HE ARG 99 109.750 -11.764 -11.764 731 1HH1 ARG 99 2HH1 ARG 99 109.700 -13.535 -13.535 732 2HH1 ARG 99 1HH1 ARG 99 108.670 -14.794 -14.794 733 1HH2 ARG 99 1HH2 ARG 99 107.946 -13.167 -13.167 734 2HH2 ARG 99 2HH2 ARG 99 107.672 -14.583 -14.583 735 H ALA 100 H ALA 100 114.441 -9.334 -9.334 736 HA ALA 100 HA ALA 100 115.845 -10.281 -10.281 737 1HB ALA 100 1HB ALA 100 114.430 -7.632 -7.632 738 2HB ALA 100 3HB ALA 100 115.449 -8.023 -8.023 739 3HB ALA 100 2HB ALA 100 113.956 -8.919 -8.919 740 H GLY 101 H GLY 101 117.668 -10.561 -10.561 741 1HA GLY 101 2HA GLY 101 119.586 -9.877 -9.877 742 2HA GLY 101 1HA GLY 101 119.581 -8.556 -8.556 743 H ALA 102 H ALA 102 118.927 -9.466 -9.466 744 HA ALA 102 HA ALA 102 118.953 -6.683 -6.683 745 1HB ALA 102 1HB ALA 102 116.580 -7.475 -7.475 746 2HB ALA 102 3HB ALA 102 116.401 -8.058 -8.058 747 3HB ALA 102 2HB ALA 102 116.708 -6.347 -6.347 748 H ARG 103 H ARG 103 120.539 -7.344 -7.344 749 HA ARG 103 HA ARG 103 120.252 -9.640 -9.640 750 1HB ARG 103 2HB ARG 103 122.432 -8.801 -8.801 751 2HB ARG 103 1HB ARG 103 121.993 -7.162 -7.162 752 1HG ARG 103 2HG ARG 103 122.097 -7.654 -7.654 753 2HG ARG 103 1HG ARG 103 121.857 -9.381 -9.381 754 1HD ARG 103 2HD ARG 103 124.317 -8.050 -8.050 755 2HD ARG 103 1HD ARG 103 124.268 -8.526 -8.526 756 HE ARG 103 HE ARG 103 123.435 -10.547 -10.547 757 1HH1 ARG 103 1HH2 ARG 103 126.385 -9.395 -9.395 758 2HH1 ARG 103 2HH2 ARG 103 126.952 -10.849 -10.849 759 1HH2 ARG 103 2HH1 ARG 103 123.853 -12.415 -12.415 760 2HH2 ARG 103 1HH1 ARG 103 125.514 -12.562 -12.562 761 H LEU 104 H LEU 104 119.294 -9.706 -9.706 762 HA LEU 104 HA LEU 104 118.200 -7.114 -7.114 763 1HB LEU 104 2HB LEU 104 117.069 -9.925 -9.925 764 2HB LEU 104 1HB LEU 104 116.310 -8.476 -8.476 765 HG LEU 104 HG LEU 104 116.969 -7.944 -7.944 766 1HD1 LEU 104 1HD1 LEU 104 115.763 -10.647 -10.647 767 2HD1 LEU 104 3HD1 LEU 104 115.317 -9.743 -9.743 768 3HD1 LEU 104 2HD1 LEU 104 117.001 -10.196 -10.196 769 1HD2 LEU 104 2HD2 LEU 104 114.684 -7.911 -7.911 770 2HD2 LEU 104 1HD2 LEU 104 115.062 -6.825 -6.825 771 3HD2 LEU 104 3HD2 LEU 104 114.210 -8.339 -8.339 772 H ASP 105 H ASP 105 120.768 -8.778 -8.778 773 HA ASP 105 HA ASP 105 120.228 -8.945 -8.945 774 1HB ASP 105 2HB ASP 105 121.668 -10.863 -10.863 775 2HB ASP 105 1HB ASP 105 120.562 -11.118 -11.118 776 H VAL 106 H VAL 106 121.138 -6.552 -6.552 777 HA VAL 106 HA VAL 106 124.042 -6.446 -6.446 778 HB VAL 106 HB VAL 106 122.878 -5.642 -5.642 779 1HG1 VAL 106 1HG1 VAL 106 121.138 -4.282 -4.282 780 2HG1 VAL 106 3HG1 VAL 106 122.391 -3.264 -3.264 781 3HG1 VAL 106 2HG1 VAL 106 122.170 -3.295 -3.295 782 1HG2 VAL 106 2HG2 VAL 106 125.254 -5.086 -5.086 783 2HG2 VAL 106 1HG2 VAL 106 124.782 -4.462 -4.462 784 3HG2 VAL 106 3HG2 VAL 106 124.577 -3.462 -3.462 785 H ARG 107 H ARG 107 124.402 -3.887 -3.887 786 HA ARG 107 HA ARG 107 122.506 -3.401 -3.401 787 1HB ARG 107 2HB ARG 107 125.511 -3.709 -3.709 788 2HB ARG 107 1HB ARG 107 124.684 -2.863 -2.863 789 1HG ARG 107 2HG ARG 107 123.619 -4.786 -4.786 790 2HG ARG 107 1HG ARG 107 123.704 -5.575 -5.575 791 1HD ARG 107 2HD ARG 107 125.325 -6.689 -6.689 792 2HD ARG 107 1HD ARG 107 126.261 -5.602 -5.602 793 HE ARG 107 HE ARG 107 125.577 -4.058 -4.058 794 1HH1 ARG 107 2HH1 ARG 107 125.813 -6.545 -6.545 795 2HH1 ARG 107 1HH1 ARG 107 127.502 -6.598 -6.598 796 1HH2 ARG 107 1HH2 ARG 107 128.388 -4.303 -4.303 797 2HH2 ARG 107 2HH2 ARG 107 128.961 -5.333 -5.333 798 H ASP 108 H ASP 108 122.163 -1.207 -1.207 799 HA ASP 108 HA ASP 108 122.997 0.709 0.709 800 1HB ASP 108 2HB ASP 108 121.425 0.881 0.881 801 2HB ASP 108 1HB ASP 108 121.637 2.244 2.244 802 H ALA 109 H ALA 109 125.376 -0.008 -0.008 803 HA ALA 109 HA ALA 109 127.387 0.737 0.737 804 1HB ALA 109 1HB ALA 109 125.603 3.091 3.091 805 2HB ALA 109 3HB ALA 109 127.028 3.332 3.332 806 3HB ALA 109 2HB ALA 109 127.213 2.787 2.787 807 H TRP 110 H TRP 110 125.030 2.636 2.636 808 HA TRP 110 HA TRP 110 126.167 2.594 2.594 809 1HB TRP 110 2HB TRP 110 123.274 2.070 2.070 810 2HB TRP 110 1HB TRP 110 123.814 2.597 2.597 811 HD1 TRP 110 HD1 TRP 110 121.898 4.505 4.505 812 HE1 TRP 110 HE1 TRP 110 122.546 6.821 6.821 813 HE3 TRP 110 HE3 TRP 110 126.884 3.752 3.752 814 HZ2 TRP 110 HZ2 TRP 110 124.849 8.177 8.177 815 HZ3 TRP 110 HZ3 TRP 110 128.264 5.582 5.582 816 HH2 TRP 110 HH2 TRP 110 127.259 7.792 7.792 817 H GLY 111 H GLY 111 123.865 0.042 0.042 818 1HA GLY 111 2HA GLY 111 125.149 -2.268 -2.268 819 2HA GLY 111 1HA GLY 111 124.756 -1.678 -1.678 820 H ARG 112 H ARG 112 122.251 -0.390 -0.390 821 HA ARG 112 HA ARG 112 120.347 -2.370 -2.370 822 1HB ARG 112 2HB ARG 112 119.985 -0.083 -0.083 823 2HB ARG 112 1HB ARG 112 118.748 -0.804 -0.804 824 1HG ARG 112 2HG ARG 112 120.935 0.022 0.022 825 2HG ARG 112 1HG ARG 112 120.491 1.371 1.371 826 1HD ARG 112 2HD ARG 112 118.239 -0.132 -0.132 827 2HD ARG 112 1HD ARG 112 119.214 0.897 0.897 828 HE ARG 112 HE ARG 112 118.836 2.586 2.586 829 1HH1 ARG 112 2HH1 ARG 112 116.969 1.761 1.761 830 2HH1 ARG 112 1HH1 ARG 112 115.438 2.133 2.133 831 1HH2 ARG 112 1HH2 ARG 112 116.730 2.508 2.508 832 2HH2 ARG 112 2HH2 ARG 112 115.303 2.554 2.554 833 H LEU 113 H LEU 113 118.812 -3.518 -3.518 834 HA LEU 113 HA LEU 113 120.092 -4.261 -4.261 835 1HB LEU 113 2HB LEU 113 118.656 -5.802 -5.802 836 2HB LEU 113 1HB LEU 113 118.779 -6.454 -6.454 837 HG LEU 113 HG LEU 113 121.178 -5.514 -5.514 838 1HD1 LEU 113 3HD1 LEU 113 119.604 -7.982 -7.982 839 2HD1 LEU 113 2HD1 LEU 113 121.309 -8.276 -8.276 840 3HD1 LEU 113 1HD1 LEU 113 120.843 -7.358 -7.358 841 1HD2 LEU 113 1HD2 LEU 113 121.276 -5.675 -5.675 842 2HD2 LEU 113 3HD2 LEU 113 122.451 -6.676 -6.676 843 3HD2 LEU 113 2HD2 LEU 113 120.994 -7.406 -7.406 844 HA PRO 114 HA PRO 114 116.338 -3.309 -3.309 845 1HB PRO 114 2HB PRO 114 115.981 -5.484 -5.484 846 2HB PRO 114 1HB PRO 114 117.219 -4.244 -4.244 847 1HG PRO 114 2HG PRO 114 117.496 -6.922 -6.922 848 2HG PRO 114 1HG PRO 114 118.548 -6.134 -6.134 849 1HD PRO 114 2HD PRO 114 119.163 -6.174 -6.174 850 2HD PRO 114 1HD PRO 114 119.546 -4.773 -4.773 851 H VAL 115 H VAL 115 116.515 -6.565 -6.565 852 HA VAL 115 HA VAL 115 113.596 -6.868 -6.868 853 HB VAL 115 HB VAL 115 115.340 -8.690 -8.690 854 1HG1 VAL 115 2HG1 VAL 115 116.820 -7.757 -7.757 855 2HG1 VAL 115 1HG1 VAL 115 115.675 -8.480 -8.480 856 3HG1 VAL 115 3HG1 VAL 115 116.573 -9.504 -9.504 857 1HG2 VAL 115 1HG2 VAL 115 112.876 -8.849 -8.849 858 2HG2 VAL 115 3HG2 VAL 115 113.923 -10.264 -10.264 859 3HG2 VAL 115 2HG2 VAL 115 113.747 -9.372 -9.372 860 H ASP 116 H ASP 116 116.199 -5.946 -5.946 861 HA ASP 116 HA ASP 116 114.711 -6.074 -6.074 862 1HB ASP 116 2HB ASP 116 117.126 -4.611 -4.611 863 2HB ASP 116 1HB ASP 116 116.514 -4.248 -4.248 864 H LEU 117 H LEU 117 115.086 -3.493 -3.493 865 HA LEU 117 HA LEU 117 113.790 -1.386 -1.386 866 1HB LEU 117 2HB LEU 117 114.535 -2.108 -2.108 867 2HB LEU 117 1HB LEU 117 113.161 -1.006 -1.006 868 HG LEU 117 HG LEU 117 115.455 -0.387 -0.387 869 1HD1 LEU 117 2HD1 LEU 117 116.593 -1.066 -1.066 870 2HD1 LEU 117 1HD1 LEU 117 115.576 0.053 0.053 871 3HD1 LEU 117 3HD1 LEU 117 116.733 0.670 0.670 872 1HD2 LEU 117 1HD2 LEU 117 113.217 0.940 0.940 873 2HD2 LEU 117 3HD2 LEU 117 114.062 1.402 1.402 874 3HD2 LEU 117 2HD2 LEU 117 114.723 1.853 1.853 875 H ALA 118 H ALA 118 112.498 -4.224 -4.224 876 HA ALA 118 HA ALA 118 109.753 -3.187 -3.187 877 1HB ALA 118 1HB ALA 118 111.222 -5.736 -5.736 878 2HB ALA 118 3HB ALA 118 109.460 -5.754 -5.754 879 3HB ALA 118 2HB ALA 118 110.277 -4.710 -4.710 880 H GLU 119 H GLU 119 111.714 -5.088 -5.088 881 HA GLU 119 HA GLU 119 109.526 -6.193 -6.193 882 1HB GLU 119 2HB GLU 119 112.430 -5.610 -5.610 883 2HB GLU 119 1HB GLU 119 111.369 -6.683 -6.683 884 1HG GLU 119 2HG GLU 119 111.066 -8.077 -8.077 885 2HG GLU 119 1HG GLU 119 112.201 -7.031 -7.031 886 H GLU 120 H GLU 120 111.567 -3.283 -3.283 887 HA GLU 120 HA GLU 120 110.363 -2.410 -2.410 888 1HB GLU 120 2HB GLU 120 112.398 -1.565 -1.565 889 2HB GLU 120 1HB GLU 120 111.523 -0.209 -0.209 890 1HG GLU 120 2HG GLU 120 112.768 -2.443 -2.443 891 2HG GLU 120 1HG GLU 120 113.555 -0.895 -0.895 892 H LEU 121 H LEU 121 110.015 -1.372 -1.372 893 HA LEU 121 HA LEU 121 107.977 0.599 0.599 894 1HB LEU 121 2HB LEU 121 109.201 -0.766 -0.766 895 2HB LEU 121 1HB LEU 121 107.669 0.072 0.072 896 HG LEU 121 HG LEU 121 108.806 2.033 2.033 897 1HD1 LEU 121 3HD1 LEU 121 110.774 0.578 0.578 898 2HD1 LEU 121 2HD1 LEU 121 111.260 0.599 0.599 899 3HD1 LEU 121 1HD1 LEU 121 111.213 2.101 2.101 900 1HD2 LEU 121 1HD2 LEU 121 109.701 1.241 1.241 901 2HD2 LEU 121 3HD2 LEU 121 108.209 2.091 2.091 902 3HD2 LEU 121 2HD2 LEU 121 109.766 2.870 2.870 903 H GLY 122 H GLY 122 107.226 -1.957 -1.957 904 1HA GLY 122 2HA GLY 122 105.515 -3.598 -3.598 905 2HA GLY 122 1HA GLY 122 104.535 -2.208 -2.208 906 H HIS 123 H HIS 123 107.150 -3.694 -3.694 907 HA HIS 123 HA HIS 123 105.213 -4.102 -4.102 908 1HB HIS 123 2HB HIS 123 108.231 -4.358 -4.358 909 2HB HIS 123 1HB HIS 123 107.174 -4.032 -4.032 910 HD1 HIS 123 HD1 HIS 123 105.468 -1.740 -1.740 911 HD2 HIS 123 HD2 HIS 123 109.582 -1.962 -1.962 912 HE1 HIS 123 HE1 HIS 123 106.250 0.621 0.621 913 H ARG 124 H ARG 124 104.873 -5.936 -5.936 914 HA ARG 124 HA ARG 124 106.340 -8.271 -8.271 915 1HB ARG 124 2HB ARG 124 103.957 -7.446 -7.446 916 2HB ARG 124 1HB ARG 124 103.391 -8.468 -8.468 917 1HG ARG 124 2HG ARG 124 103.484 -9.994 -9.994 918 2HG ARG 124 1HG ARG 124 105.061 -10.223 -10.223 919 1HD ARG 124 2HD ARG 124 105.767 -8.262 -8.262 920 2HD ARG 124 1HD ARG 124 104.393 -8.891 -8.891 921 HE ARG 124 HE ARG 124 106.233 -10.939 -10.939 922 1HH1 ARG 124 1HH2 ARG 124 107.812 -9.271 -9.271 923 2HH1 ARG 124 2HH2 ARG 124 107.481 -10.034 -10.034 924 1HH2 ARG 124 2HH1 ARG 124 104.713 -11.762 -11.762 925 2HH2 ARG 124 1HH1 ARG 124 105.726 -11.446 -11.446 926 H ASP 125 H ASP 125 104.197 -7.352 -7.352 927 HA ASP 125 HA ASP 125 104.260 -9.813 -9.813 928 1HB ASP 125 2HB ASP 125 103.707 -6.932 -6.932 929 2HB ASP 125 1HB ASP 125 104.056 -7.907 -7.907 930 H VAL 126 H VAL 126 106.397 -6.945 -6.945 931 HA VAL 126 HA VAL 126 108.160 -8.168 -8.168 932 HB VAL 126 HB VAL 126 108.618 -5.748 -5.748 933 1HG1 VAL 126 2HG1 VAL 126 109.954 -6.984 -6.984 934 2HG1 VAL 126 1HG1 VAL 126 109.842 -5.227 -5.227 935 3HG1 VAL 126 3HG1 VAL 126 110.646 -6.070 -6.070 936 1HG2 VAL 126 1HG2 VAL 126 106.459 -5.917 -5.917 937 2HG2 VAL 126 3HG2 VAL 126 107.418 -4.437 -4.437 938 3HG2 VAL 126 2HG2 VAL 126 107.626 -5.585 -5.585 939 H ALA 127 H ALA 127 108.331 -7.538 -7.538 940 HA ALA 127 HA ALA 127 110.953 -8.374 -8.374 941 1HB ALA 127 3HB ALA 127 108.855 -7.559 -7.559 942 2HB ALA 127 2HB ALA 127 108.710 -9.288 -9.288 943 3HB ALA 127 1HB ALA 127 110.192 -8.435 -8.435 944 H ARG 128 H ARG 128 108.034 -10.360 -10.360 945 HA ARG 128 HA ARG 128 109.180 -12.908 -12.908 946 1HB ARG 128 2HB ARG 128 106.783 -12.478 -12.478 947 2HB ARG 128 1HB ARG 128 106.948 -12.011 -12.011 948 1HG ARG 128 2HG ARG 128 108.105 -14.626 -14.626 949 2HG ARG 128 1HG ARG 128 106.448 -14.600 -14.600 950 1HD ARG 128 2HD ARG 128 106.968 -13.323 -13.323 951 2HD ARG 128 1HD ARG 128 106.922 -15.095 -15.095 952 HE ARG 128 HE ARG 128 104.729 -13.848 -13.848 953 1HH1 ARG 128 1HH2 ARG 128 105.191 -16.318 -16.318 954 2HH1 ARG 128 2HH2 ARG 128 103.931 -15.957 -15.957 955 1HH2 ARG 128 2HH1 ARG 128 103.385 -12.758 -12.758 956 2HH2 ARG 128 1HH1 ARG 128 102.908 -13.943 -13.943 957 H TYR 129 H TYR 129 108.415 -11.608 -11.608 958 HA TYR 129 HA TYR 129 109.880 -13.466 -13.466 959 1HB TYR 129 2HB TYR 129 108.228 -11.682 -11.682 960 2HB TYR 129 1HB TYR 129 109.534 -10.507 -10.507 961 HD1 TYR 129 HD2 TYR 129 111.756 -11.055 -11.055 962 HD2 TYR 129 HD1 TYR 129 107.953 -12.840 -12.840 963 HE1 TYR 129 HE2 TYR 129 112.573 -11.656 -11.656 964 HE2 TYR 129 HE1 TYR 129 108.772 -13.444 -13.444 965 HH TYR 129 HH TYR 129 110.650 -13.646 -13.646 966 H LEU 130 H LEU 130 110.981 -10.390 -10.390 967 HA LEU 130 HA LEU 130 113.583 -10.301 -10.301 968 1HB LEU 130 2HB LEU 130 112.298 -9.337 -9.337 969 2HB LEU 130 1HB LEU 130 114.013 -9.050 -9.050 970 HG LEU 130 HG LEU 130 111.695 -8.149 -8.149 971 1HD1 LEU 130 2HD1 LEU 130 113.789 -6.691 -6.691 972 2HD1 LEU 130 1HD1 LEU 130 112.675 -5.898 -5.898 973 3HD1 LEU 130 3HD1 LEU 130 112.051 -6.737 -6.737 974 1HD2 LEU 130 1HD2 LEU 130 114.656 -8.292 -8.292 975 2HD2 LEU 130 3HD2 LEU 130 113.331 -8.598 -8.598 976 3HD2 LEU 130 2HD2 LEU 130 113.743 -6.943 -6.943 977 H ARG 131 H ARG 131 112.849 -11.373 -11.373 978 HA ARG 131 HA ARG 131 115.290 -12.545 -12.545 979 1HB ARG 131 2HB ARG 131 113.017 -12.267 -12.267 980 2HB ARG 131 1HB ARG 131 112.679 -13.890 -13.890 981 1HG ARG 131 2HG ARG 131 115.364 -13.768 -13.768 982 2HG ARG 131 1HG ARG 131 114.209 -13.197 -13.197 983 1HD ARG 131 2HD ARG 131 113.523 -15.319 -15.319 984 2HD ARG 131 1HD ARG 131 113.156 -15.548 -15.548 985 HE ARG 131 HE ARG 131 115.723 -15.894 -15.894 986 1HH1 ARG 131 2HH1 ARG 131 113.898 -18.130 -18.130 987 2HH1 ARG 131 1HH1 ARG 131 114.933 -18.710 -18.710 988 1HH2 ARG 131 1HH2 ARG 131 117.059 -15.971 -15.971 989 2HH2 ARG 131 2HH2 ARG 131 116.727 -17.483 -17.483 990 H ALA 132 H ALA 132 112.869 -13.767 -13.767 991 HA ALA 132 HA ALA 132 114.082 -16.445 -16.445 992 1HB ALA 132 3HB ALA 132 111.581 -15.521 -15.521 993 2HB ALA 132 2HB ALA 132 112.103 -15.383 -15.383 994 3HB ALA 132 1HB ALA 132 112.144 -16.950 -16.950 995 H ALA 133 H ALA 133 113.442 -13.812 -13.812 996 HA ALA 133 HA ALA 133 115.338 -14.874 -14.874 997 1HB ALA 133 3HB ALA 133 113.186 -13.509 -13.509 998 2HB ALA 133 2HB ALA 133 114.140 -12.098 -12.098 999 3HB ALA 133 1HB ALA 133 114.581 -13.037 -13.037 1000 H ALA 134 H ALA 134 115.826 -13.184 -13.184 1001 HA ALA 134 HA ALA 134 118.254 -11.772 -11.772 1002 1HB ALA 134 3HB ALA 134 116.354 -10.609 -10.609 1003 2HB ALA 134 2HB ALA 134 116.929 -11.498 -11.498 1004 3HB ALA 134 1HB ALA 134 117.990 -10.343 -10.343 1005 H GLY 135 H GLY 135 117.097 -14.012 -14.012 1006 1HA GLY 135 2HA GLY 135 118.836 -15.937 -15.937 1007 2HA GLY 135 1HA GLY 135 119.930 -14.622 -14.622 1008 H GLY 136 H GLY 136 119.053 -13.169 -13.169 1009 1HA GLY 136 2HA GLY 136 118.068 -12.912 -12.912 1010 2HA GLY 136 1HA GLY 136 117.170 -14.404 -14.404 1011 H THR 137 H THR 137 118.653 -16.433 -16.433 1012 HA THR 137 HA THR 137 119.842 -16.807 -16.807 1013 HB THR 137 HB THR 137 119.052 -18.498 -18.498 1014 HG1 THR 137 HG1 THR 137 121.668 -19.006 -19.006 1015 1HG2 THR 137 3HG2 THR 137 120.679 -17.322 -17.322 1016 2HG2 THR 137 2HG2 THR 137 121.830 -18.499 -18.499 1017 3HG2 THR 137 1HG2 THR 137 120.325 -19.046 -19.046 1018 H ARG 138 H ARG 138 121.808 -16.242 -16.242 1019 HA ARG 138 HA ARG 138 123.714 -14.730 -14.730 1020 1HB ARG 138 2HB ARG 138 123.639 -15.543 -15.543 1021 2HB ARG 138 1HB ARG 138 124.806 -14.421 -14.421 1022 1HG ARG 138 2HG ARG 138 122.328 -13.463 -13.463 1023 2HG ARG 138 1HG ARG 138 122.046 -13.946 -13.946 1024 1HD ARG 138 2HD ARG 138 124.455 -12.667 -12.667 1025 2HD ARG 138 1HD ARG 138 123.694 -11.726 -11.726 1026 HE ARG 138 HE ARG 138 122.009 -12.353 -12.353 1027 1HH1 ARG 138 1HH2 ARG 138 122.125 -10.141 -10.141 1028 2HH1 ARG 138 2HH2 ARG 138 122.256 -8.736 -8.736 1029 1HH2 ARG 138 2HH1 ARG 138 122.946 -10.527 -10.527 1030 2HH2 ARG 138 1HH1 ARG 138 122.714 -8.954 -8.954 1031 H GLY 139 H GLY 139 126.096 -15.514 -15.514 1032 1HA GLY 139 2HA GLY 139 127.812 -17.110 -17.110 1033 2HA GLY 139 1HA GLY 139 126.564 -18.350 -18.350 1034 H SER 140 H SER 140 125.861 -19.063 -19.063 1035 HA SER 140 HA SER 140 127.814 -18.614 -18.614 1036 1HB SER 140 2HB SER 140 126.009 -20.663 -20.663 1037 2HB SER 140 1HB SER 140 125.676 -20.323 -20.323 1038 HG SER 140 HG SER 140 128.027 -21.239 -21.239 1039 H ASN 141 H ASN 141 126.446 -18.794 -18.794 1040 HA ASN 141 HA ASN 141 124.248 -16.770 -16.770 1041 1HB ASN 141 2HB ASN 141 126.983 -16.615 -16.615 1042 2HB ASN 141 1HB ASN 141 125.655 -15.917 -15.917 1043 1HD2 ASN 141 1HD2 ASN 141 127.982 -14.835 -14.835 1044 2HD2 ASN 141 2HD2 ASN 141 127.168 -13.648 -13.648 1045 H HIS 142 H HIS 142 122.657 -17.288 -17.288 1046 HA HIS 142 HA HIS 142 121.516 -18.494 -18.494 1047 1HB HIS 142 2HB HIS 142 124.235 -17.908 -17.908 1048 2HB HIS 142 1HB HIS 142 123.597 -19.361 -19.361 1049 HD1 HIS 142 HD1 HIS 142 121.196 -16.682 -16.682 1050 HD2 HIS 142 HD2 HIS 142 123.186 -17.889 -17.889 1051 HE1 HIS 142 HE1 HIS 142 120.088 -15.466 -15.466 1052 H ALA 143 H ALA 143 121.939 -19.975 -19.975 1053 HA ALA 143 HA ALA 143 122.648 -22.687 -22.687 1054 1HB ALA 143 2HB ALA 143 123.732 -21.135 -21.135 1055 2HB ALA 143 1HB ALA 143 123.037 -22.639 -22.639 1056 3HB ALA 143 3HB ALA 143 124.286 -22.683 -22.683 1057 H ARG 144 H ARG 144 120.211 -20.736 -20.736 1058 HA ARG 144 HA ARG 144 118.855 -22.839 -22.839 1059 1HB ARG 144 2HB ARG 144 118.883 -20.048 -20.048 1060 2HB ARG 144 1HB ARG 144 117.302 -20.485 -20.485 1061 1HG ARG 144 2HG ARG 144 117.070 -20.241 -20.241 1062 2HG ARG 144 1HG ARG 144 116.977 -21.962 -21.962 1063 1HD ARG 144 2HD ARG 144 119.615 -21.835 -21.835 1064 2HD ARG 144 1HD ARG 144 119.158 -20.440 -20.440 1065 HE ARG 144 HE ARG 144 117.426 -22.709 -22.709 1066 1HH1 ARG 144 2HH1 ARG 144 120.768 -22.411 -22.411 1067 2HH1 ARG 144 1HH1 ARG 144 120.855 -22.720 -22.720 1068 1HH2 ARG 144 1HH2 ARG 144 117.422 -22.642 -22.642 1069 2HH2 ARG 144 2HH2 ARG 144 118.965 -22.849 -22.849 1070 H ILE 145 H ILE 145 118.160 -24.523 -24.523 1071 HA ILE 145 HA ILE 145 117.160 -24.172 -24.172 1072 HB ILE 145 HB ILE 145 118.122 -26.248 -26.248 1073 1HG1 ILE 145 2HG1 ILE 145 115.787 -27.553 -27.553 1074 2HG1 ILE 145 1HG1 ILE 145 115.786 -26.027 -26.027 1075 1HG2 ILE 145 1HG2 ILE 145 116.872 -26.037 -26.037 1076 2HG2 ILE 145 3HG2 ILE 145 115.380 -26.429 -26.429 1077 3HG2 ILE 145 2HG2 ILE 145 116.673 -27.625 -27.625 1078 1HD1 ILE 145 3HD1 ILE 145 118.125 -27.954 -27.954 1079 2HD1 ILE 145 2HD1 ILE 145 117.024 -27.795 -27.795 1080 3HD1 ILE 145 1HD1 ILE 145 118.075 -26.451 -26.451 1081 H ASP 146 H ASP 146 115.075 -23.710 -23.710 1082 HA ASP 146 HA ASP 146 113.125 -22.875 -22.875 1083 1HB ASP 146 2HB ASP 146 113.884 -22.111 -22.111 1084 2HB ASP 146 1HB ASP 146 112.323 -22.887 -22.887 1085 H ALA 147 H ALA 147 111.853 -24.461 -24.461 1086 HA ALA 147 HA ALA 147 109.942 -25.947 -25.947 1087 1HB ALA 147 3HB ALA 147 112.640 -27.180 -27.180 1088 2HB ALA 147 2HB ALA 147 111.232 -28.233 -28.233 1089 3HB ALA 147 1HB ALA 147 111.521 -27.331 -27.331 1090 H ALA 148 H ALA 148 109.189 -24.801 -24.801 1091 HA ALA 148 HA ALA 148 108.244 -25.068 -25.068 1092 1HB ALA 148 2HB ALA 148 107.883 -27.359 -27.359 1093 2HB ALA 148 1HB ALA 148 108.880 -27.980 -27.980 1094 3HB ALA 148 3HB ALA 148 107.354 -27.172 -27.172 1095 H GLU 149 H GLU 149 109.361 -24.381 -24.381 1096 HA GLU 149 HA GLU 149 112.026 -25.582 -25.582 1097 1HB GLU 149 2HB GLU 149 110.785 -22.976 -22.976 1098 2HB GLU 149 1HB GLU 149 111.373 -23.405 -23.405 1099 1HG GLU 149 2HG GLU 149 113.495 -23.009 -23.009 1100 2HG GLU 149 1HG GLU 149 113.348 -24.166 -24.166 1101 H GLY 150 H GLY 150 112.004 -27.198 -27.198 1102 1HA GLY 150 2HA GLY 150 109.728 -27.359 -27.359 1103 2HA GLY 150 1HA GLY 150 110.911 -28.632 -28.632 1104 HA PRO 151 HA PRO 151 112.192 -25.559 -25.559 1105 1HB PRO 151 2HB PRO 151 110.586 -26.229 -26.229 1106 2HB PRO 151 1HB PRO 151 110.213 -24.908 -24.908 1107 1HG PRO 151 2HG PRO 151 109.125 -27.678 -27.678 1108 2HG PRO 151 1HG PRO 151 108.301 -26.152 -26.152 1109 1HD PRO 151 2HD PRO 151 109.065 -27.920 -27.920 1110 2HD PRO 151 1HD PRO 151 108.935 -26.170 -26.170 1111 H SER 152 H SER 152 110.741 -28.278 -28.278 1112 HA SER 152 HA SER 152 111.722 -30.129 -30.129 1113 1HB SER 152 2HB SER 152 112.706 -29.933 -29.933 1114 2HB SER 152 1HB SER 152 114.070 -30.386 -30.386 1115 HG SER 152 HG SER 152 111.529 -31.632 -31.632 1116 H ASP 153 H ASP 153 112.680 -27.234 -27.234 1117 HA ASP 153 HA ASP 153 115.412 -27.052 -27.052 1118 1HB ASP 153 2HB ASP 153 113.410 -25.409 -25.409 1119 2HB ASP 153 1HB ASP 153 113.234 -26.115 -26.115 1120 H ILE 154 H ILE 154 116.498 -27.337 -27.337 1121 HA ILE 154 HA ILE 154 115.469 -29.781 -29.781 1122 HB ILE 154 HB ILE 154 118.296 -28.674 -28.674 1123 1HG1 ILE 154 2HG1 ILE 154 117.396 -29.215 -29.215 1124 2HG1 ILE 154 1HG1 ILE 154 118.731 -30.262 -30.262 1125 1HG2 ILE 154 2HG2 ILE 154 117.031 -30.871 -30.871 1126 2HG2 ILE 154 1HG2 ILE 154 118.242 -31.486 -31.486 1127 3HG2 ILE 154 3HG2 ILE 154 118.699 -30.306 -30.306 1128 1HD1 ILE 154 1HD1 ILE 154 115.929 -31.127 -31.127 1129 2HD1 ILE 154 3HD1 ILE 154 116.522 -31.295 -31.295 1130 3HD1 ILE 154 2HD1 ILE 154 117.354 -32.111 -32.111 1131 HA PRO 155 HA PRO 155 115.211 -26.305 -26.305 1132 1HB PRO 155 2HB PRO 155 112.814 -27.084 -27.084 1133 2HB PRO 155 1HB PRO 155 112.946 -26.050 -26.050 1134 1HG PRO 155 2HG PRO 155 112.369 -28.959 -28.959 1135 2HG PRO 155 1HG PRO 155 111.709 -27.747 -27.747 1136 1HD PRO 155 2HD PRO 155 113.659 -29.539 -29.539 1137 2HD PRO 155 1HD PRO 155 113.445 -27.958 -27.958 1138 H ASP 156 HN ASP 156 116.854 -27.088 -27.088 1139 HA ASP 156 HA ASP 156 116.071 -28.571 -28.571 1140 1HB ASP 156 2HB ASP 156 116.102 -30.377 -30.377 1141 2HB ASP 156 1HB ASP 156 117.784 -29.988 -29.988 Start of MODEL 15 1 1H MET 1 1H MET 1 113.121 28.492 28.492 2 2H MET 1 3H MET 1 112.166 27.251 27.251 3 3H MET 1 2H MET 1 111.428 28.625 28.625 4 HA MET 1 HA MET 1 111.337 28.840 28.840 5 1HB MET 1 2HB MET 1 113.352 27.170 27.170 6 2HB MET 1 1HB MET 1 114.345 28.624 28.624 7 1HG MET 1 2HG MET 1 114.040 28.896 28.896 8 2HG MET 1 1HG MET 1 112.299 29.018 29.018 9 1HE MET 1 3HE MET 1 111.580 28.233 28.233 10 2HE MET 1 2HE MET 1 110.604 27.160 27.160 11 3HE MET 1 1HE MET 1 111.383 26.534 26.534 12 H GLU 2 H GLU 2 111.040 30.748 30.748 13 HA GLU 2 HA GLU 2 113.018 32.732 32.732 14 1HB GLU 2 2HB GLU 2 110.119 32.412 32.412 15 2HB GLU 2 1HB GLU 2 110.574 34.066 34.066 16 1HG GLU 2 2HG GLU 2 110.929 34.308 34.308 17 2HG GLU 2 1HG GLU 2 112.427 33.424 33.424 18 HA PRO 3 HA PRO 3 111.550 35.105 35.105 19 1HB PRO 3 2HB PRO 3 109.575 34.064 34.064 20 2HB PRO 3 1HB PRO 3 109.246 35.106 35.106 21 1HG PRO 3 2HG PRO 3 109.071 32.146 32.146 22 2HG PRO 3 1HG PRO 3 108.016 33.276 33.276 23 1HD PRO 3 2HD PRO 3 109.914 31.747 31.747 24 2HD PRO 3 1HD PRO 3 109.352 33.315 33.315 25 H ALA 4 H ALA 4 112.380 34.972 34.972 26 HA ALA 4 HA ALA 4 113.607 34.019 34.019 27 1HB ALA 4 3HB ALA 4 111.346 32.647 32.647 28 2HB ALA 4 2HB ALA 4 112.419 31.354 31.354 29 3HB ALA 4 1HB ALA 4 112.646 32.088 32.088 30 H ALA 5 H ALA 5 115.765 33.760 33.760 31 HA ALA 5 HA ALA 5 116.704 31.623 31.623 32 1HB ALA 5 2HB ALA 5 117.731 34.423 34.423 33 2HB ALA 5 1HB ALA 5 118.641 33.227 33.227 34 3HB ALA 5 3HB ALA 5 117.087 33.802 33.802 35 H GLY 6 H GLY 6 118.505 30.414 30.414 36 1HA GLY 6 2HA GLY 6 120.427 30.708 30.708 37 2HA GLY 6 1HA GLY 6 119.039 30.594 30.594 38 H SER 7 H SER 7 121.335 28.718 28.718 39 HA SER 7 HA SER 7 119.958 26.298 26.298 40 1HB SER 7 2HB SER 7 122.164 25.422 25.422 41 2HB SER 7 1HB SER 7 122.330 27.122 27.122 42 HG SER 7 HG SER 7 123.610 25.831 25.831 43 H SER 8 H SER 8 119.525 24.514 24.514 44 HA SER 8 HA SER 8 120.262 24.812 24.812 45 1HB SER 8 2HB SER 8 117.836 25.478 25.478 46 2HB SER 8 1HB SER 8 117.575 23.749 23.749 47 HG SER 8 HG SER 8 118.759 24.429 24.429 48 H MET 9 H MET 9 121.115 22.935 22.935 49 HA MET 9 HA MET 9 120.318 20.328 20.328 50 1HB MET 9 2HB MET 9 122.917 21.733 21.733 51 2HB MET 9 1HB MET 9 123.022 20.049 20.049 52 1HG MET 9 2HG MET 9 122.249 19.234 19.234 53 2HG MET 9 1HG MET 9 121.338 20.700 20.700 54 1HE MET 9 1HE MET 9 124.159 18.694 18.694 55 2HE MET 9 3HE MET 9 124.930 19.100 19.100 56 3HE MET 9 2HE MET 9 125.601 19.705 19.705 57 H GLU 10 H GLU 10 120.244 18.646 18.646 58 HA GLU 10 HA GLU 10 121.638 18.722 18.722 59 1HB GLU 10 2HB GLU 10 119.714 19.283 19.283 60 2HB GLU 10 1HB GLU 10 120.002 20.587 20.587 61 1HG GLU 10 2HG GLU 10 118.012 20.261 20.261 62 2HG GLU 10 1HG GLU 10 118.177 18.506 18.506 63 HA PRO 11 HA PRO 11 120.309 14.527 14.527 64 1HB PRO 11 2HB PRO 11 120.038 13.982 13.982 65 2HB PRO 11 1HB PRO 11 121.615 14.170 14.170 66 1HG PRO 11 2HG PRO 11 120.083 16.118 16.118 67 2HG PRO 11 1HG PRO 11 121.821 15.794 15.794 68 1HD PRO 11 2HD PRO 11 120.688 17.928 17.928 69 2HD PRO 11 1HD PRO 11 122.172 17.144 17.144 70 H SER 12 H SER 12 118.503 13.119 13.119 71 HA SER 12 HA SER 12 116.005 14.768 14.768 72 1HB SER 12 2HB SER 12 116.113 13.745 13.745 73 2HB SER 12 1HB SER 12 116.519 12.180 12.180 74 HG SER 12 HG SER 12 114.465 12.132 12.132 75 H ALA 13 H ALA 13 117.951 12.267 12.267 76 HA ALA 13 HA ALA 13 115.947 10.750 10.750 77 1HB ALA 13 2HB ALA 13 118.743 10.834 10.834 78 2HB ALA 13 1HB ALA 13 118.456 11.095 11.095 79 3HB ALA 13 3HB ALA 13 117.822 9.653 9.653 80 H ASP 14 H ASP 14 114.522 11.608 11.608 81 HA ASP 14 HA ASP 14 115.418 13.122 13.122 82 1HB ASP 14 2HB ASP 14 115.149 14.559 14.559 83 2HB ASP 14 1HB ASP 14 113.644 14.885 14.885 84 H TRP 15 H TRP 15 112.607 12.756 12.756 85 HA TRP 15 HA TRP 15 110.619 12.988 12.988 86 1HB TRP 15 2HB TRP 15 110.567 11.712 11.712 87 2HB TRP 15 1HB TRP 15 109.139 12.137 12.137 88 HD1 TRP 15 HD1 TRP 15 111.556 14.737 14.737 89 HE1 TRP 15 HE1 TRP 15 111.196 16.817 16.817 90 HE3 TRP 15 HE3 TRP 15 108.425 12.791 12.791 91 HZ2 TRP 15 HZ2 TRP 15 109.773 17.567 17.567 92 HZ3 TRP 15 HZ3 TRP 15 107.581 14.216 14.216 93 HH2 TRP 15 HH2 TRP 15 108.246 16.599 16.599 94 H LEU 16 H LEU 16 112.810 10.465 10.465 95 HA LEU 16 HA LEU 16 111.018 8.231 8.231 96 1HB LEU 16 2HB LEU 16 114.039 8.368 8.368 97 2HB LEU 16 1HB LEU 16 113.049 6.942 6.942 98 HG LEU 16 HG LEU 16 113.386 9.289 9.289 99 1HD1 LEU 16 2HD1 LEU 16 115.102 7.147 7.147 100 2HD1 LEU 16 1HD1 LEU 16 114.199 6.650 6.650 101 3HD1 LEU 16 3HD1 LEU 16 115.099 8.166 8.166 102 1HD2 LEU 16 3HD2 LEU 16 111.160 7.832 7.832 103 2HD2 LEU 16 2HD2 LEU 16 111.872 8.274 8.274 104 3HD2 LEU 16 1HD2 LEU 16 112.149 6.666 6.666 105 H ALA 17 H ALA 17 113.644 9.942 9.942 106 HA ALA 17 HA ALA 17 113.187 8.693 8.693 107 1HB ALA 17 3HB ALA 17 115.023 10.418 10.418 108 2HB ALA 17 2HB ALA 17 114.357 11.361 11.361 109 3HB ALA 17 1HB ALA 17 115.119 9.804 9.804 110 H THR 18 H THR 18 112.012 11.735 11.735 111 HA THR 18 HA THR 18 110.655 12.648 12.648 112 HB THR 18 HB THR 18 109.485 13.937 13.937 113 HG1 THR 18 HG1 THR 18 112.148 13.677 13.677 114 1HG2 THR 18 2HG2 THR 18 110.859 14.734 14.734 115 2HG2 THR 18 1HG2 THR 18 112.209 14.769 14.769 116 3HG2 THR 18 3HG2 THR 18 110.782 15.762 15.762 117 H ALA 19 H ALA 19 109.283 11.567 11.567 118 HA ALA 19 HA ALA 19 106.590 11.395 11.395 119 1HB ALA 19 2HB ALA 19 107.668 10.902 10.902 120 2HB ALA 19 1HB ALA 19 108.206 9.353 9.353 121 3HB ALA 19 3HB ALA 19 106.485 9.675 9.675 122 H ALA 20 H ALA 20 108.863 8.644 8.644 123 HA ALA 20 HA ALA 20 107.148 6.844 6.844 124 1HB ALA 20 1HB ALA 20 109.620 6.723 6.723 125 2HB ALA 20 3HB ALA 20 110.046 7.133 7.133 126 3HB ALA 20 2HB ALA 20 109.131 5.667 5.667 127 H ALA 21 H ALA 21 109.219 9.409 9.409 128 HA ALA 21 HA ALA 21 108.723 8.848 8.848 129 1HB ALA 21 3HB ALA 21 109.970 10.857 10.857 130 2HB ALA 21 2HB ALA 21 109.133 11.619 11.619 131 3HB ALA 21 1HB ALA 21 110.374 10.400 10.400 132 H ARG 22 H ARG 22 106.967 10.749 10.749 133 HA ARG 22 HA ARG 22 105.080 11.799 11.799 134 1HB ARG 22 2HB ARG 22 106.079 12.503 12.503 135 2HB ARG 22 1HB ARG 22 104.332 12.307 12.307 136 1HG ARG 22 2HG ARG 22 104.473 13.687 13.687 137 2HG ARG 22 1HG ARG 22 105.886 14.332 14.332 138 1HD ARG 22 2HD ARG 22 103.626 14.142 14.142 139 2HD ARG 22 1HD ARG 22 103.220 15.124 15.124 140 HE ARG 22 HE ARG 22 105.037 16.616 16.616 141 1HH1 ARG 22 1HH2 ARG 22 103.910 14.886 14.886 142 2HH1 ARG 22 2HH2 ARG 22 105.307 15.129 15.129 143 1HH2 ARG 22 2HH1 ARG 22 107.199 16.549 16.549 144 2HH2 ARG 22 1HH1 ARG 22 107.160 16.076 16.076 145 H GLY 23 H GLY 23 105.244 8.818 8.818 146 1HA GLY 23 2HA GLY 23 103.770 7.067 7.067 147 2HA GLY 23 1HA GLY 23 102.561 8.109 8.109 148 H ARG 24 H ARG 24 104.385 8.006 8.006 149 HA ARG 24 HA ARG 24 101.795 8.353 8.353 150 1HB ARG 24 2HB ARG 24 104.088 10.143 10.143 151 2HB ARG 24 1HB ARG 24 103.758 9.771 9.771 152 1HG ARG 24 2HG ARG 24 101.286 10.271 10.271 153 2HG ARG 24 1HG ARG 24 102.397 11.624 11.624 154 1HD ARG 24 2HD ARG 24 101.970 12.308 12.308 155 2HD ARG 24 1HD ARG 24 102.458 10.725 10.725 156 HE ARG 24 HE ARG 24 99.739 11.086 11.086 157 1HH1 ARG 24 2HH1 ARG 24 101.263 11.356 11.356 158 2HH1 ARG 24 1HH1 ARG 24 100.300 10.168 10.168 159 1HH2 ARG 24 1HH2 ARG 24 98.748 9.059 9.059 160 2HH2 ARG 24 2HH2 ARG 24 98.872 8.875 8.875 161 H VAL 25 H VAL 25 102.433 5.897 5.897 162 HA VAL 25 HA VAL 25 104.605 4.820 4.820 163 HB VAL 25 HB VAL 25 101.716 3.901 3.901 164 1HG1 VAL 25 3HG1 VAL 25 104.382 2.670 2.670 165 2HG1 VAL 25 2HG1 VAL 25 103.172 1.664 1.664 166 3HG1 VAL 25 1HG1 VAL 25 102.833 2.361 2.361 167 1HG2 VAL 25 1HG2 VAL 25 103.589 4.113 4.113 168 2HG2 VAL 25 3HG2 VAL 25 101.839 3.934 3.934 169 3HG2 VAL 25 2HG2 VAL 25 102.867 2.516 2.516 170 H GLU 26 H GLU 26 101.391 5.661 5.661 171 HA GLU 26 HA GLU 26 101.683 5.115 5.115 172 1HB GLU 26 2HB GLU 26 100.554 7.668 7.668 173 2HB GLU 26 1HB GLU 26 100.100 6.954 6.954 174 1HG GLU 26 2HG GLU 26 99.544 4.835 4.835 175 2HG GLU 26 1HG GLU 26 99.504 5.976 5.976 176 H GLU 27 H GLU 27 103.050 7.916 7.916 177 HA GLU 27 HA GLU 27 104.078 9.273 9.273 178 1HB GLU 27 2HB GLU 27 104.087 9.474 9.474 179 2HB GLU 27 1HB GLU 27 105.722 9.737 9.737 180 1HG GLU 27 2HG GLU 27 104.315 11.234 11.234 181 2HG GLU 27 1HG GLU 27 103.292 11.395 11.395 182 H VAL 28 H VAL 28 105.659 7.125 7.125 183 HA VAL 28 HA VAL 28 108.175 6.979 6.979 184 HB VAL 28 HB VAL 28 107.020 4.918 4.918 185 1HG1 VAL 28 1HG1 VAL 28 109.233 4.511 4.511 186 2HG1 VAL 28 3HG1 VAL 28 109.828 6.001 6.001 187 3HG1 VAL 28 2HG1 VAL 28 109.354 4.644 4.644 188 1HG2 VAL 28 3HG2 VAL 28 107.990 7.721 7.721 189 2HG2 VAL 28 2HG2 VAL 28 106.595 6.890 6.890 190 3HG2 VAL 28 1HG2 VAL 28 108.222 6.463 6.463 191 H ARG 29 H ARG 29 105.323 4.829 4.829 192 HA ARG 29 HA ARG 29 106.173 2.608 2.608 193 1HB ARG 29 2HB ARG 29 103.592 4.196 4.196 194 2HB ARG 29 1HB ARG 29 103.782 2.548 2.548 195 1HG ARG 29 2HG ARG 29 104.423 3.288 3.288 196 2HG ARG 29 1HG ARG 29 102.800 2.817 2.817 197 1HD ARG 29 2HD ARG 29 105.064 1.046 1.046 198 2HD ARG 29 1HD ARG 29 104.542 0.993 0.993 199 HE ARG 29 HE ARG 29 102.207 0.978 0.978 200 1HH1 ARG 29 2HH1 ARG 29 105.039 -0.955 -0.955 201 2HH1 ARG 29 1HH1 ARG 29 104.182 -2.459 -2.459 202 1HH2 ARG 29 1HH2 ARG 29 101.065 -0.989 -0.989 203 2HH2 ARG 29 2HH2 ARG 29 101.937 -2.478 -2.478 204 H ALA 30 H ALA 30 104.965 5.678 5.678 205 HA ALA 30 HA ALA 30 105.535 4.871 4.871 206 1HB ALA 30 1HB ALA 30 103.871 6.632 6.632 207 2HB ALA 30 3HB ALA 30 105.206 7.724 7.724 208 3HB ALA 30 2HB ALA 30 104.413 6.830 6.830 209 H LEU 31 H LEU 31 107.122 6.894 6.894 210 HA LEU 31 HA LEU 31 109.172 8.036 8.036 211 1HB LEU 31 2HB LEU 31 108.819 7.283 7.283 212 2HB LEU 31 1HB LEU 31 110.384 7.875 7.875 213 HG LEU 31 HG LEU 31 107.851 9.363 9.363 214 1HD1 LEU 31 3HD1 LEU 31 107.915 9.076 9.076 215 2HD1 LEU 31 2HD1 LEU 31 109.571 9.682 9.682 216 3HD1 LEU 31 1HD1 LEU 31 108.249 10.748 10.748 217 1HD2 LEU 31 3HD2 LEU 31 110.510 9.655 9.655 218 2HD2 LEU 31 2HD2 LEU 31 109.279 10.914 10.914 219 3HD2 LEU 31 1HD2 LEU 31 110.334 10.812 10.812 220 H LEU 32 H LEU 32 109.633 5.316 5.316 221 HA LEU 32 HA LEU 32 112.109 4.388 4.388 222 1HB LEU 32 2HB LEU 32 109.626 3.085 3.085 223 2HB LEU 32 1HB LEU 32 111.033 2.097 2.097 224 HG LEU 32 HG LEU 32 111.136 4.545 4.545 225 1HD1 LEU 32 2HD1 LEU 32 109.714 2.686 2.686 226 2HD1 LEU 32 1HD1 LEU 32 111.118 1.626 1.626 227 3HD1 LEU 32 3HD1 LEU 32 111.147 3.027 3.027 228 1HD2 LEU 32 1HD2 LEU 32 113.194 3.453 3.453 229 2HD2 LEU 32 3HD2 LEU 32 113.361 4.004 4.004 230 3HD2 LEU 32 2HD2 LEU 32 113.110 2.292 2.292 231 H GLU 33 H GLU 33 108.938 3.369 3.369 232 HA GLU 33 HA GLU 33 110.011 1.630 1.630 233 1HB GLU 33 2HB GLU 33 107.400 3.071 3.071 234 2HB GLU 33 1HB GLU 33 107.635 2.045 2.045 235 1HG GLU 33 2HG GLU 33 108.430 0.245 0.245 236 2HG GLU 33 1HG GLU 33 107.684 1.256 1.256 237 H ALA 34 H ALA 34 109.735 5.089 5.089 238 HA ALA 34 HA ALA 34 109.818 5.482 5.482 239 1HB ALA 34 3HB ALA 34 109.891 7.304 7.304 240 2HB ALA 34 2HB ALA 34 109.880 7.893 7.893 241 3HB ALA 34 1HB ALA 34 108.508 6.975 6.975 242 H GLY 35 H GLY 35 112.112 4.817 4.817 243 1HA GLY 35 2HA GLY 35 114.440 4.499 4.499 244 2HA GLY 35 1HA GLY 35 114.256 6.052 6.052 245 H ALA 36 H ALA 36 113.085 5.449 5.449 246 HA ALA 36 HA ALA 36 114.526 7.748 7.748 247 1HB ALA 36 3HB ALA 36 112.265 6.474 6.474 248 2HB ALA 36 2HB ALA 36 113.346 5.654 5.654 249 3HB ALA 36 1HB ALA 36 113.170 7.406 7.406 250 H LEU 37 H LEU 37 116.115 7.654 7.654 251 HA LEU 37 HA LEU 37 118.072 5.482 5.482 252 1HB LEU 37 2HB LEU 37 118.045 8.242 8.242 253 2HB LEU 37 1HB LEU 37 118.660 7.462 7.462 254 HG LEU 37 HG LEU 37 120.487 8.021 8.021 255 1HD1 LEU 37 3HD1 LEU 37 120.221 5.765 5.765 256 2HD1 LEU 37 2HD1 LEU 37 120.313 5.051 5.051 257 3HD1 LEU 37 1HD1 LEU 37 121.628 6.067 6.067 258 1HD2 LEU 37 3HD2 LEU 37 119.070 7.773 7.773 259 2HD2 LEU 37 2HD2 LEU 37 120.624 6.946 6.946 260 3HD2 LEU 37 1HD2 LEU 37 119.155 6.024 6.024 261 HA PRO 38 HA PRO 38 116.191 3.468 3.468 262 1HB PRO 38 2HB PRO 38 117.791 1.245 1.245 263 2HB PRO 38 1HB PRO 38 116.391 1.453 1.453 264 1HG PRO 38 2HG PRO 38 119.288 1.893 1.893 265 2HG PRO 38 1HG PRO 38 118.048 1.146 1.146 266 1HD PRO 38 2HD PRO 38 118.893 3.688 3.688 267 2HD PRO 38 1HD PRO 38 117.228 3.177 3.177 268 H ASN 39 H ASN 39 119.674 3.810 3.810 269 HA ASN 39 HA ASN 39 120.142 3.905 3.905 270 1HB ASN 39 2HB ASN 39 121.912 3.406 3.406 271 2HB ASN 39 1HB ASN 39 122.528 3.519 3.519 272 1HD2 ASN 39 1HD2 ASN 39 120.497 2.128 2.128 273 2HD2 ASN 39 2HD2 ASN 39 120.475 0.511 0.511 274 H ALA 40 H ALA 40 119.031 6.218 6.218 275 HA ALA 40 HA ALA 40 121.163 8.148 8.148 276 1HB ALA 40 2HB ALA 40 118.416 7.822 7.822 277 2HB ALA 40 1HB ALA 40 118.520 9.251 9.251 278 3HB ALA 40 3HB ALA 40 119.440 9.177 9.177 279 HA PRO 41 HA PRO 41 121.183 8.737 8.737 280 1HB PRO 41 2HB PRO 41 123.669 9.873 9.873 281 2HB PRO 41 1HB PRO 41 123.412 8.117 8.117 282 1HG PRO 41 2HG PRO 41 124.133 9.975 9.975 283 2HG PRO 41 1HG PRO 41 124.743 8.349 8.349 284 1HD PRO 41 2HD PRO 41 122.875 8.835 8.835 285 2HD PRO 41 1HD PRO 41 122.943 7.313 7.313 286 H ASN 42 H ASN 42 120.049 10.522 10.522 287 HA ASN 42 HA ASN 42 120.421 13.108 13.108 288 1HB ASN 42 2HB ASN 42 118.295 11.679 11.679 289 2HB ASN 42 1HB ASN 42 118.371 13.404 13.404 290 1HD2 ASN 42 1HD2 ASN 42 117.817 11.046 11.046 291 2HD2 ASN 42 2HD2 ASN 42 117.205 12.161 12.161 292 H SER 43 H SER 43 120.098 15.051 15.051 293 HA SER 43 HA SER 43 122.394 15.053 15.053 294 1HB SER 43 2HB SER 43 121.961 17.306 17.306 295 2HB SER 43 1HB SER 43 120.885 16.902 16.902 296 HG SER 43 HG SER 43 119.397 17.688 17.688 297 H TYR 44 H TYR 44 119.304 13.739 13.739 298 HA TYR 44 HA TYR 44 118.982 14.417 14.417 299 1HB TYR 44 2HB TYR 44 117.436 13.416 13.416 300 2HB TYR 44 1HB TYR 44 117.608 12.034 12.034 301 HD1 TYR 44 HD2 TYR 44 117.692 13.162 13.162 302 HD2 TYR 44 HD1 TYR 44 115.345 14.395 14.395 303 HE1 TYR 44 HE2 TYR 44 116.009 14.146 14.146 304 HE2 TYR 44 HE1 TYR 44 113.660 15.380 15.380 305 HH TYR 44 HH TYR 44 113.414 14.663 14.663 306 H GLY 45 H GLY 45 121.230 12.473 12.473 307 1HA GLY 45 2HA GLY 45 122.490 10.610 10.610 308 2HA GLY 45 1HA GLY 45 122.270 11.271 11.271 309 H ARG 46 H ARG 46 119.608 10.251 10.251 310 HA ARG 46 HA ARG 46 119.177 7.903 7.903 311 1HB ARG 46 2HB ARG 46 117.462 10.171 10.171 312 2HB ARG 46 1HB ARG 46 116.682 8.601 8.601 313 1HG ARG 46 2HG ARG 46 117.774 8.495 8.495 314 2HG ARG 46 1HG ARG 46 118.193 10.195 10.195 315 1HD ARG 46 2HD ARG 46 116.061 10.876 10.876 316 2HD ARG 46 1HD ARG 46 115.372 9.596 9.596 317 HE ARG 46 HE ARG 46 116.554 8.611 8.611 318 1HH1 ARG 46 1HH2 ARG 46 113.815 10.357 10.357 319 2HH1 ARG 46 2HH2 ARG 46 112.676 9.406 9.406 320 1HH2 ARG 46 2HH1 ARG 46 115.048 7.161 7.161 321 2HH2 ARG 46 1HH1 ARG 46 113.373 7.601 7.601 322 H ARG 47 H ARG 47 118.831 5.988 5.988 323 HA ARG 47 HA ARG 47 119.365 5.538 5.538 324 1HB ARG 47 2HB ARG 47 118.157 4.163 4.163 325 2HB ARG 47 1HB ARG 47 117.514 3.590 3.590 326 1HG ARG 47 2HG ARG 47 119.383 2.231 2.231 327 2HG ARG 47 1HG ARG 47 120.062 3.572 3.572 328 1HD ARG 47 2HD ARG 47 120.323 4.439 4.439 329 2HD ARG 47 1HD ARG 47 120.679 2.704 2.704 330 HE ARG 47 HE ARG 47 122.501 3.014 3.014 331 1HH1 ARG 47 1HH2 ARG 47 123.155 5.357 5.357 332 2HH1 ARG 47 2HH2 ARG 47 123.226 6.646 6.646 333 1HH2 ARG 47 2HH1 ARG 47 121.526 4.900 4.900 334 2HH2 ARG 47 1HH1 ARG 47 122.306 6.389 6.389 335 HA PRO 48 HA PRO 48 115.780 6.654 6.654 336 1HB PRO 48 2HB PRO 48 115.459 4.549 4.549 337 2HB PRO 48 1HB PRO 48 116.768 5.738 5.738 338 1HG PRO 48 2HG PRO 48 116.835 2.991 2.991 339 2HG PRO 48 1HG PRO 48 118.040 3.839 3.839 340 1HD PRO 48 2HD PRO 48 118.231 3.537 3.537 341 2HD PRO 48 1HD PRO 48 118.967 4.883 4.883 342 H ILE 49 H ILE 49 115.757 3.636 3.636 343 HA ILE 49 HA ILE 49 112.774 3.494 3.494 344 HB ILE 49 HB ILE 49 114.975 1.532 1.532 345 1HG1 ILE 49 2HG1 ILE 49 112.791 1.781 1.781 346 2HG1 ILE 49 1HG1 ILE 49 114.530 1.692 1.692 347 1HG2 ILE 49 2HG2 ILE 49 111.983 1.156 1.156 348 2HG2 ILE 49 1HG2 ILE 49 113.196 -0.116 -0.116 349 3HG2 ILE 49 3HG2 ILE 49 113.182 1.229 1.229 350 1HD1 ILE 49 2HD1 ILE 49 113.908 -0.655 -0.655 351 2HD1 ILE 49 1HD1 ILE 49 112.589 -0.462 -0.462 352 3HD1 ILE 49 3HD1 ILE 49 114.257 -0.525 -0.525 353 H GLN 50 H GLN 50 115.481 3.574 3.574 354 HA GLN 50 HA GLN 50 114.136 3.312 3.312 355 1HB GLN 50 2HB GLN 50 116.532 4.737 4.737 356 2HB GLN 50 1HB GLN 50 115.979 5.204 5.204 357 1HG GLN 50 2HG GLN 50 116.192 2.982 2.982 358 2HG GLN 50 1HG GLN 50 116.353 2.311 2.311 359 1HE2 GLN 50 1HE2 GLN 50 118.093 5.289 5.289 360 2HE2 GLN 50 2HE2 GLN 50 119.631 4.586 4.586 361 H VAL 51 H VAL 51 113.922 5.939 5.939 362 HA VAL 51 HA VAL 51 112.381 7.557 7.557 363 HB VAL 51 HB VAL 51 114.457 8.532 8.532 364 1HG1 VAL 51 3HG1 VAL 51 113.446 7.370 7.370 365 2HG1 VAL 51 2HG1 VAL 51 113.366 9.113 9.113 366 3HG1 VAL 51 1HG1 VAL 51 114.901 8.352 8.352 367 1HG2 VAL 51 3HG2 VAL 51 112.006 9.727 9.727 368 2HG2 VAL 51 2HG2 VAL 51 113.500 10.594 10.594 369 3HG2 VAL 51 1HG2 VAL 51 112.390 10.194 10.194 370 H MET 52 H MET 52 111.234 5.294 5.294 371 HA MET 52 HA MET 52 109.538 6.662 6.662 372 1HB MET 52 2HB MET 52 108.866 4.348 4.348 373 2HB MET 52 1HB MET 52 110.621 4.489 4.489 374 1HG MET 52 2HG MET 52 110.661 2.794 2.794 375 2HG MET 52 1HG MET 52 109.869 3.855 3.855 376 1HE MET 52 3HE MET 52 110.153 0.866 0.866 377 2HE MET 52 2HE MET 52 108.938 0.649 0.649 378 3HE MET 52 1HE MET 52 108.654 -0.002 -0.002 379 H MET 53 H MET 53 109.227 7.295 7.295 380 HA MET 53 HA MET 53 107.405 7.760 7.760 381 1HB MET 53 2HB MET 53 106.292 7.383 7.383 382 2HB MET 53 1HB MET 53 105.525 6.075 6.075 383 1HG MET 53 2HG MET 53 105.613 8.696 8.696 384 2HG MET 53 1HG MET 53 104.578 8.624 8.624 385 1HE MET 53 1HE MET 53 103.397 6.619 6.619 386 2HE MET 53 3HE MET 53 103.465 5.169 5.169 387 3HE MET 53 2HE MET 53 102.024 6.183 6.183 388 H MET 54 H MET 54 108.507 4.622 4.622 389 HA MET 54 HA MET 54 108.327 2.527 2.527 390 1HB MET 54 2HB MET 54 108.639 4.730 4.730 391 2HB MET 54 1HB MET 54 108.193 3.161 3.161 392 1HG MET 54 2HG MET 54 110.691 3.556 3.556 393 2HG MET 54 1HG MET 54 110.121 2.097 2.097 394 1HE MET 54 2HE MET 54 110.427 1.438 1.438 395 2HE MET 54 1HE MET 54 110.985 2.245 2.245 396 3HE MET 54 3HE MET 54 112.128 1.860 1.860 397 H GLY 55 H GLY 55 105.770 3.869 3.869 398 1HA GLY 55 2HA GLY 55 103.959 2.307 2.307 399 2HA GLY 55 1HA GLY 55 103.551 3.977 3.977 400 H SER 56 H SER 56 105.184 2.249 2.249 401 HA SER 56 HA SER 56 102.686 1.331 1.331 402 1HB SER 56 2HB SER 56 104.337 3.713 3.713 403 2HB SER 56 1HB SER 56 103.729 2.728 2.728 404 HG SER 56 HG SER 56 101.694 2.959 2.959 405 H ALA 57 H ALA 57 104.016 -0.661 -0.661 406 HA ALA 57 HA ALA 57 106.518 -1.412 -1.412 407 1HB ALA 57 1HB ALA 57 103.850 -2.823 -2.823 408 2HB ALA 57 3HB ALA 57 105.311 -3.687 -3.687 409 3HB ALA 57 2HB ALA 57 105.199 -2.955 -2.955 410 H ARG 58 H ARG 58 103.598 -1.027 -1.027 411 HA ARG 58 HA ARG 58 104.319 -2.237 -2.237 412 1HB ARG 58 2HB ARG 58 102.960 0.418 0.418 413 2HB ARG 58 1HB ARG 58 102.922 -0.388 -0.388 414 1HG ARG 58 2HG ARG 58 101.858 -2.357 -2.357 415 2HG ARG 58 1HG ARG 58 101.911 -1.575 -1.575 416 1HD ARG 58 2HD ARG 58 100.475 0.279 0.279 417 2HD ARG 58 1HD ARG 58 100.356 -0.593 -0.593 418 HE ARG 58 HE ARG 58 98.828 -2.054 -2.054 419 1HH1 ARG 58 1HH2 ARG 58 99.212 0.252 0.252 420 2HH1 ARG 58 2HH2 ARG 58 99.131 -0.768 -0.768 421 1HH2 ARG 58 2HH1 ARG 58 99.417 -3.715 -3.715 422 2HH2 ARG 58 1HH1 ARG 58 99.239 -3.017 -3.017 423 H VAL 59 H VAL 59 105.335 0.937 0.937 424 HA VAL 59 HA VAL 59 106.796 1.816 1.816 425 HB VAL 59 HB VAL 59 107.419 2.346 2.346 426 1HG1 VAL 59 1HG1 VAL 59 108.357 3.387 3.387 427 2HG1 VAL 59 3HG1 VAL 59 107.641 4.668 4.668 428 3HG1 VAL 59 2HG1 VAL 59 108.966 3.698 3.698 429 1HG2 VAL 59 3HG2 VAL 59 104.968 2.779 2.779 430 2HG2 VAL 59 2HG2 VAL 59 105.442 3.407 3.407 431 3HG2 VAL 59 1HG2 VAL 59 105.753 4.353 4.353 432 H ALA 60 H ALA 60 107.999 0.299 0.299 433 HA ALA 60 HA ALA 60 110.676 -0.051 -0.051 434 1HB ALA 60 3HB ALA 60 108.540 -1.609 -1.609 435 2HB ALA 60 2HB ALA 60 110.061 -2.457 -2.457 436 3HB ALA 60 1HB ALA 60 110.047 -0.962 -0.962 437 H GLU 61 H GLU 61 108.135 -2.371 -2.371 438 HA GLU 61 HA GLU 61 109.679 -4.148 -4.148 439 1HB GLU 61 2HB GLU 61 107.034 -3.711 -3.711 440 2HB GLU 61 1HB GLU 61 107.089 -3.308 -3.308 441 1HG GLU 61 2HG GLU 61 108.477 -5.542 -5.542 442 2HG GLU 61 1HG GLU 61 107.692 -5.923 -5.923 443 H LEU 62 H LEU 62 108.257 -1.039 -1.039 444 HA LEU 62 HA LEU 62 108.975 -1.046 -1.046 445 1HB LEU 62 2HB LEU 62 108.059 0.757 0.757 446 2HB LEU 62 1HB LEU 62 109.394 1.543 1.543 447 HG LEU 62 HG LEU 62 106.835 0.460 0.460 448 1HD1 LEU 62 1HD1 LEU 62 107.697 2.991 2.991 449 2HD1 LEU 62 3HD1 LEU 62 107.737 3.065 3.065 450 3HD1 LEU 62 2HD1 LEU 62 106.244 2.627 2.627 451 1HD2 LEU 62 1HD2 LEU 62 109.495 0.657 0.657 452 2HD2 LEU 62 3HD2 LEU 62 108.032 -0.100 -0.100 453 3HD2 LEU 62 2HD2 LEU 62 108.296 1.629 1.629 454 H LEU 63 H LEU 63 110.803 0.882 0.882 455 HA LEU 63 HA LEU 63 113.185 1.045 1.045 456 1HB LEU 63 2HB LEU 63 112.764 1.144 1.144 457 2HB LEU 63 1HB LEU 63 114.172 1.771 1.771 458 HG LEU 63 HG LEU 63 111.392 2.716 2.716 459 1HD1 LEU 63 3HD1 LEU 63 112.055 3.010 3.010 460 2HD1 LEU 63 2HD1 LEU 63 113.272 4.139 4.139 461 3HD1 LEU 63 1HD1 LEU 63 111.559 4.455 4.455 462 1HD2 LEU 63 2HD2 LEU 63 114.204 3.789 3.789 463 2HD2 LEU 63 1HD2 LEU 63 113.091 3.271 3.271 464 3HD2 LEU 63 3HD2 LEU 63 112.753 4.734 4.734 465 H LEU 64 H LEU 64 112.375 -1.131 -1.131 466 HA LEU 64 HA LEU 64 114.711 -2.640 -2.640 467 1HB LEU 64 2HB LEU 64 112.766 -2.883 -2.883 468 2HB LEU 64 1HB LEU 64 111.796 -3.478 -3.478 469 HG LEU 64 HG LEU 64 114.265 -5.011 -5.011 470 1HD1 LEU 64 2HD1 LEU 64 112.380 -4.559 -4.559 471 2HD1 LEU 64 1HD1 LEU 64 113.007 -6.188 -6.188 472 3HD1 LEU 64 3HD1 LEU 64 114.121 -4.851 -4.851 473 1HD2 LEU 64 1HD2 LEU 64 111.472 -5.357 -5.357 474 2HD2 LEU 64 3HD2 LEU 64 112.875 -6.338 -6.338 475 3HD2 LEU 64 2HD2 LEU 64 112.007 -6.640 -6.640 476 H LEU 65 H LEU 65 111.915 -3.836 -3.836 477 HA LEU 65 HA LEU 65 113.341 -5.822 -5.822 478 1HB LEU 65 2HB LEU 65 111.339 -6.068 -6.068 479 2HB LEU 65 1HB LEU 65 110.787 -5.247 -5.247 480 HG LEU 65 HG LEU 65 111.278 -3.067 -3.067 481 1HD1 LEU 65 3HD1 LEU 65 111.632 -5.224 -5.224 482 2HD1 LEU 65 2HD1 LEU 65 110.331 -4.144 -4.144 483 3HD1 LEU 65 1HD1 LEU 65 111.944 -3.499 -3.499 484 1HD2 LEU 65 2HD2 LEU 65 109.011 -4.487 -4.487 485 2HD2 LEU 65 1HD2 LEU 65 109.007 -2.909 -2.909 486 3HD2 LEU 65 3HD2 LEU 65 108.866 -4.376 -4.376 487 H HIS 66 H HIS 66 113.344 -2.384 -2.384 488 HA HIS 66 HA HIS 66 114.280 -2.432 -2.432 489 1HB HIS 66 2HB HIS 66 113.339 -0.593 -0.593 490 2HB HIS 66 1HB HIS 66 114.694 0.052 0.052 491 HD1 HIS 66 HD1 HIS 66 114.152 1.059 1.059 492 HD2 HIS 66 HD2 HIS 66 111.179 -1.546 -1.546 493 HE1 HIS 66 HE1 HIS 66 112.279 1.186 1.186 494 H GLY 67 H GLY 67 115.615 -1.728 -1.728 495 1HA GLY 67 2HA GLY 67 117.994 -2.809 -2.809 496 2HA GLY 67 1HA GLY 67 118.322 -1.655 -1.655 497 H ALA 68 H ALA 68 116.208 -1.055 -1.055 498 HA ALA 68 HA ALA 68 117.467 1.482 1.482 499 1HB ALA 68 2HB ALA 68 115.151 0.185 0.185 500 2HB ALA 68 1HB ALA 68 116.054 0.063 0.063 501 3HB ALA 68 3HB ALA 68 115.723 1.645 1.645 502 H GLU 69 H GLU 69 117.582 1.043 1.043 503 HA GLU 69 HA GLU 69 120.171 -0.450 -0.450 504 1HB GLU 69 2HB GLU 69 119.174 2.071 2.071 505 2HB GLU 69 1HB GLU 69 120.697 1.283 1.283 506 1HG GLU 69 2HG GLU 69 120.729 1.489 1.489 507 2HG GLU 69 1HG GLU 69 120.078 3.033 3.033 508 HA PRO 70 HA PRO 70 116.927 -2.165 -2.165 509 1HB PRO 70 2HB PRO 70 117.158 -4.773 -4.773 510 2HB PRO 70 1HB PRO 70 116.036 -3.618 -3.618 511 1HG PRO 70 2HG PRO 70 118.720 -4.521 -4.521 512 2HG PRO 70 1HG PRO 70 117.242 -4.227 -4.227 513 1HD PRO 70 2HD PRO 70 119.294 -2.456 -2.456 514 2HD PRO 70 1HD PRO 70 117.597 -1.964 -1.964 515 H ASN 71 H ASN 71 120.244 -2.504 -2.504 516 HA ASN 71 HA ASN 71 120.735 -4.072 -4.072 517 1HB ASN 71 2HB ASN 71 121.396 -5.175 -5.175 518 2HB ASN 71 1HB ASN 71 122.381 -3.775 -3.775 519 1HD2 ASN 71 1HD2 ASN 71 123.822 -6.056 -6.056 520 2HD2 ASN 71 2HD2 ASN 71 124.721 -6.184 -6.184 521 H CYS 72 H CYS 72 122.803 -1.984 -1.984 522 HA CYS 72 HA CYS 72 124.456 -0.878 -0.878 523 1HB CYS 72 2HB CYS 72 124.436 -0.496 -0.496 524 2HB CYS 72 1HB CYS 72 123.115 0.649 0.649 525 HG CYS 72 HG CYS 72 125.927 1.421 1.421 526 H ALA 73 H ALA 73 124.375 0.931 0.931 527 HA ALA 73 HA ALA 73 121.654 2.082 2.082 528 1HB ALA 73 1HB ALA 73 122.213 0.235 0.235 529 2HB ALA 73 3HB ALA 73 123.691 1.077 1.077 530 3HB ALA 73 2HB ALA 73 122.121 1.770 1.770 531 H ASP 74 H ASP 74 122.894 3.503 3.503 532 HA ASP 74 HA ASP 74 124.212 5.681 5.681 533 1HB ASP 74 2HB ASP 74 122.160 5.522 5.522 534 2HB ASP 74 1HB ASP 74 123.527 6.309 6.309 535 HA PRO 75 HA PRO 75 127.947 4.554 4.554 536 1HB PRO 75 2HB PRO 75 129.456 6.741 6.741 537 2HB PRO 75 1HB PRO 75 129.091 5.429 5.429 538 1HG PRO 75 2HG PRO 75 127.907 8.136 8.136 539 2HG PRO 75 1HG PRO 75 128.197 7.136 7.136 540 1HD PRO 75 2HD PRO 75 125.742 7.479 7.479 541 2HD PRO 75 1HD PRO 75 126.165 6.138 6.138 542 H ALA 76 H ALA 76 125.811 6.918 6.918 543 HA ALA 76 HA ALA 76 127.482 8.228 8.228 544 1HB ALA 76 1HB ALA 76 125.346 8.978 8.978 545 2HB ALA 76 3HB ALA 76 124.512 8.436 8.436 546 3HB ALA 76 2HB ALA 76 125.721 9.716 9.716 547 H THR 77 H THR 77 124.491 6.269 6.269 548 HA THR 77 HA THR 77 125.321 5.065 5.065 549 HB THR 77 HB THR 77 122.433 5.293 5.293 550 HG1 THR 77 HG1 THR 77 124.035 7.624 7.624 551 1HG2 THR 77 2HG2 THR 77 123.567 4.690 4.690 552 2HG2 THR 77 1HG2 THR 77 124.242 6.318 6.318 553 3HG2 THR 77 3HG2 THR 77 122.497 6.084 6.084 554 H LEU 78 H LEU 78 125.288 4.281 4.281 555 HA LEU 78 HA LEU 78 124.743 2.393 2.393 556 1HB LEU 78 2HB LEU 78 125.843 1.750 1.750 557 2HB LEU 78 1HB LEU 78 124.718 0.476 0.476 558 HG LEU 78 HG LEU 78 127.170 1.425 1.425 559 1HD1 LEU 78 3HD1 LEU 78 126.708 -0.635 -0.635 560 2HD1 LEU 78 2HD1 LEU 78 126.570 -1.436 -1.436 561 3HD1 LEU 78 1HD1 LEU 78 128.045 -0.560 -0.560 562 1HD2 LEU 78 2HD2 LEU 78 124.685 0.133 0.133 563 2HD2 LEU 78 1HD2 LEU 78 125.810 1.218 1.218 564 3HD2 LEU 78 3HD2 LEU 78 126.226 -0.481 -0.481 565 H THR 79 H THR 79 122.339 3.755 3.755 566 HA THR 79 HA THR 79 120.427 1.946 1.946 567 HB THR 79 HB THR 79 120.136 4.345 4.345 568 HG1 THR 79 HG1 THR 79 121.182 4.727 4.727 569 1HG2 THR 79 1HG2 THR 79 118.181 2.502 2.502 570 2HG2 THR 79 3HG2 THR 79 117.896 4.172 4.172 571 3HG2 THR 79 2HG2 THR 79 117.957 3.753 3.753 572 H ARG 80 H ARG 80 120.207 -0.053 -0.053 573 HA ARG 80 HA ARG 80 120.373 -0.426 -0.426 574 1HB ARG 80 2HB ARG 80 120.390 -2.000 -2.000 575 2HB ARG 80 1HB ARG 80 118.805 -2.361 -2.361 576 1HG ARG 80 2HG ARG 80 120.581 -3.889 -3.889 577 2HG ARG 80 1HG ARG 80 119.805 -2.959 -2.959 578 1HD ARG 80 2HD ARG 80 121.679 -1.659 -1.659 579 2HD ARG 80 1HD ARG 80 122.246 -1.796 -1.796 580 HE ARG 80 HE ARG 80 122.342 -4.401 -4.401 581 1HH1 ARG 80 1HH2 ARG 80 123.409 -1.421 -1.421 582 2HH1 ARG 80 2HH2 ARG 80 124.922 -2.070 -2.070 583 1HH2 ARG 80 2HH1 ARG 80 124.408 -5.198 -5.198 584 2HH2 ARG 80 1HH1 ARG 80 125.484 -4.197 -4.197 585 HA PRO 81 HA PRO 81 116.288 0.800 0.800 586 1HB PRO 81 2HB PRO 81 115.865 -0.894 -0.894 587 2HB PRO 81 1HB PRO 81 116.892 0.552 0.552 588 1HG PRO 81 2HG PRO 81 117.683 -2.301 -2.301 589 2HG PRO 81 1HG PRO 81 118.413 -1.072 -1.072 590 1HD PRO 81 2HD PRO 81 119.493 -1.698 -1.698 591 2HD PRO 81 1HD PRO 81 119.516 -0.034 -0.034 592 H VAL 82 H VAL 82 117.208 -2.342 -2.342 593 HA VAL 82 HA VAL 82 114.681 -3.722 -3.722 594 HB VAL 82 HB VAL 82 117.230 -3.885 -3.885 595 1HG1 VAL 82 2HG1 VAL 82 115.236 -4.913 -4.913 596 2HG1 VAL 82 1HG1 VAL 82 115.068 -5.989 -5.989 597 3HG1 VAL 82 3HG1 VAL 82 116.518 -6.059 -6.059 598 1HG2 VAL 82 2HG2 VAL 82 116.786 -4.460 -4.460 599 2HG2 VAL 82 1HG2 VAL 82 118.077 -5.149 -5.149 600 3HG2 VAL 82 3HG2 VAL 82 116.563 -6.031 -6.031 601 H HIS 83 H HIS 83 116.326 -1.540 -1.540 602 HA HIS 83 HA HIS 83 114.593 -1.883 -1.883 603 1HB HIS 83 2HB HIS 83 116.270 0.463 0.463 604 2HB HIS 83 1HB HIS 83 115.613 0.293 0.293 605 HD2 HIS 83 HD2 HIS 83 117.483 -0.891 -0.891 606 HE1 HIS 83 HE1 HIS 83 119.492 -3.221 -3.221 607 HE2 HIS 83 HE2 HIS 83 119.414 -2.549 -2.549 608 H ASP 84 H ASP 84 114.529 0.275 0.275 609 HA ASP 84 HA ASP 84 112.460 2.045 2.045 610 1HB ASP 84 2HB ASP 84 113.457 0.818 0.818 611 2HB ASP 84 1HB ASP 84 112.140 1.983 1.983 612 H ALA 85 H ALA 85 112.124 -1.096 -1.096 613 HA ALA 85 HA ALA 85 109.286 -1.084 -1.084 614 1HB ALA 85 3HB ALA 85 111.135 -2.665 -2.665 615 2HB ALA 85 2HB ALA 85 110.948 -3.550 -3.550 616 3HB ALA 85 1HB ALA 85 109.577 -3.383 -3.383 617 H ALA 86 H ALA 86 111.199 -2.938 -2.938 618 HA ALA 86 HA ALA 86 109.133 -3.567 -3.567 619 1HB ALA 86 1HB ALA 86 111.637 -4.245 -4.245 620 2HB ALA 86 3HB ALA 86 111.938 -2.812 -2.812 621 3HB ALA 86 2HB ALA 86 110.926 -4.114 -4.114 622 H ARG 87 H ARG 87 111.131 -0.627 -0.627 623 HA ARG 87 HA ARG 87 110.480 0.685 0.685 624 1HB ARG 87 2HB ARG 87 111.266 1.379 1.379 625 2HB ARG 87 1HB ARG 87 110.436 2.683 2.683 626 1HG ARG 87 2HG ARG 87 112.696 1.145 1.145 627 2HG ARG 87 1HG ARG 87 112.993 2.562 2.562 628 1HD ARG 87 2HD ARG 87 110.880 2.974 2.974 629 2HD ARG 87 1HD ARG 87 112.490 2.682 2.682 630 HE ARG 87 HE ARG 87 112.961 4.455 4.455 631 1HH1 ARG 87 1HH2 ARG 87 110.052 4.849 4.849 632 2HH1 ARG 87 2HH2 ARG 87 110.404 6.341 6.341 633 1HH2 ARG 87 2HH1 ARG 87 113.812 6.181 6.181 634 2HH2 ARG 87 1HH1 ARG 87 112.535 7.097 7.097 635 H GLU 88 H GLU 88 108.518 0.450 0.450 636 HA GLU 88 HA GLU 88 106.305 1.929 1.929 637 1HB GLU 88 2HB GLU 88 107.414 2.099 2.099 638 2HB GLU 88 1HB GLU 88 106.025 1.056 1.056 639 1HG GLU 88 2HG GLU 88 105.981 3.797 3.797 640 2HG GLU 88 1HG GLU 88 105.329 3.371 3.371 641 H GLY 89 H GLY 89 107.294 -1.159 -1.159 642 1HA GLY 89 2HA GLY 89 106.191 -3.192 -3.192 643 2HA GLY 89 1HA GLY 89 104.722 -2.252 -2.252 644 H PHE 90 H PHE 90 106.583 -2.021 -2.021 645 HA PHE 90 HA PHE 90 104.209 -2.971 -2.971 646 1HB PHE 90 2HB PHE 90 105.992 -0.888 -0.888 647 2HB PHE 90 1HB PHE 90 106.601 -2.047 -2.047 648 HD1 PHE 90 HD1 PHE 90 104.827 -3.158 -3.158 649 HD2 PHE 90 HD2 PHE 90 104.170 0.479 0.479 650 HE1 PHE 90 HE1 PHE 90 102.988 -2.565 -2.565 651 HE2 PHE 90 HE2 PHE 90 102.326 1.074 1.074 652 HZ PHE 90 HZ PHE 90 101.746 -0.448 -0.448 653 H LEU 91 H LEU 91 104.580 -5.279 -5.279 654 HA LEU 91 HA LEU 91 106.912 -6.772 -6.772 655 1HB LEU 91 2HB LEU 91 104.441 -7.256 -7.256 656 2HB LEU 91 1HB LEU 91 104.255 -7.949 -7.949 657 HG LEU 91 HG LEU 91 105.032 -9.685 -9.685 658 1HD1 LEU 91 2HD1 LEU 91 105.994 -9.512 -9.512 659 2HD1 LEU 91 1HD1 LEU 91 107.428 -8.795 -8.795 660 3HD1 LEU 91 3HD1 LEU 91 106.957 -10.443 -10.443 661 1HD2 LEU 91 3HD2 LEU 91 106.054 -8.098 -8.098 662 2HD2 LEU 91 2HD2 LEU 91 107.078 -9.483 -9.483 663 3HD2 LEU 91 1HD2 LEU 91 107.422 -7.912 -7.912 664 H ASP 92 H ASP 92 104.232 -5.945 -5.945 665 HA ASP 92 HA ASP 92 104.878 -7.436 -7.436 666 1HB ASP 92 2HB ASP 92 103.946 -4.569 -4.569 667 2HB ASP 92 1HB ASP 92 103.940 -5.422 -5.422 668 H THR 93 H THR 93 106.226 -4.222 -4.222 669 HA THR 93 HA THR 93 108.036 -3.917 -3.917 670 HB THR 93 HB THR 93 107.986 -3.074 -3.074 671 HG1 THR 93 HG1 THR 93 106.625 -1.850 -1.850 672 1HG2 THR 93 2HG2 THR 93 110.025 -2.232 -2.232 673 2HG2 THR 93 1HG2 THR 93 109.843 -1.524 -1.524 674 3HG2 THR 93 3HG2 THR 93 110.361 -3.202 -3.202 675 H LEU 94 H LEU 94 108.558 -5.520 -5.520 676 HA LEU 94 HA LEU 94 111.281 -6.255 -6.255 677 1HB LEU 94 2HB LEU 94 108.911 -7.265 -7.265 678 2HB LEU 94 1HB LEU 94 110.406 -8.201 -8.201 679 HG LEU 94 HG LEU 94 111.243 -5.562 -5.562 680 1HD1 LEU 94 2HD1 LEU 94 108.814 -5.032 -5.032 681 2HD1 LEU 94 1HD1 LEU 94 108.851 -6.148 -6.148 682 3HD1 LEU 94 3HD1 LEU 94 109.856 -4.699 -4.699 683 1HD2 LEU 94 3HD2 LEU 94 110.788 -7.945 -7.945 684 2HD2 LEU 94 2HD2 LEU 94 112.311 -7.321 -7.321 685 3HD2 LEU 94 1HD2 LEU 94 111.462 -6.448 -6.448 686 H VAL 95 H VAL 95 108.289 -8.035 -8.035 687 HA VAL 95 HA VAL 95 109.487 -10.409 -10.409 688 HB VAL 95 HB VAL 95 107.052 -8.983 -8.983 689 1HG1 VAL 95 1HG1 VAL 95 108.207 -11.710 -11.710 690 2HG1 VAL 95 3HG1 VAL 95 106.464 -11.631 -11.631 691 3HG1 VAL 95 2HG1 VAL 95 107.187 -10.841 -10.841 692 1HG2 VAL 95 3HG2 VAL 95 107.537 -9.792 -9.792 693 2HG2 VAL 95 2HG2 VAL 95 106.007 -9.269 -9.269 694 3HG2 VAL 95 1HG2 VAL 95 106.435 -10.979 -10.979 695 H VAL 96 H VAL 96 108.740 -7.357 -7.357 696 HA VAL 96 HA VAL 96 109.591 -8.104 -8.104 697 HB VAL 96 HB VAL 96 110.023 -5.392 -5.392 698 1HG1 VAL 96 3HG1 VAL 96 109.931 -6.481 -6.481 699 2HG1 VAL 96 2HG1 VAL 96 108.892 -5.074 -5.074 700 3HG1 VAL 96 1HG1 VAL 96 110.614 -4.963 -4.963 701 1HG2 VAL 96 1HG2 VAL 96 107.506 -6.882 -6.882 702 2HG2 VAL 96 3HG2 VAL 96 107.824 -5.547 -5.547 703 3HG2 VAL 96 2HG2 VAL 96 107.530 -5.223 -5.223 704 H LEU 97 H LEU 97 111.444 -6.410 -6.410 705 HA LEU 97 HA LEU 97 113.973 -6.283 -6.283 706 1HB LEU 97 2HB LEU 97 113.010 -6.725 -6.725 707 2HB LEU 97 1HB LEU 97 114.723 -6.526 -6.526 708 HG LEU 97 HG LEU 97 112.783 -4.538 -4.538 709 1HD1 LEU 97 1HD1 LEU 97 113.834 -4.533 -4.533 710 2HD1 LEU 97 3HD1 LEU 97 112.994 -3.189 -3.189 711 3HD1 LEU 97 2HD1 LEU 97 112.147 -4.707 -4.707 712 1HD2 LEU 97 2HD2 LEU 97 115.427 -4.791 -4.791 713 2HD2 LEU 97 1HD2 LEU 97 114.665 -3.204 -3.204 714 3HD2 LEU 97 3HD2 LEU 97 115.432 -3.901 -3.901 715 H HIS 98 H HIS 98 112.714 -8.978 -8.978 716 HA HIS 98 HA HIS 98 115.006 -10.685 -10.685 717 1HB HIS 98 2HB HIS 98 113.175 -10.637 -10.637 718 2HB HIS 98 1HB HIS 98 112.250 -11.633 -11.633 719 HD1 HIS 98 HD1 HIS 98 114.202 -12.191 -12.191 720 HD2 HIS 98 HD2 HIS 98 114.436 -13.714 -13.714 721 HE1 HIS 98 HE1 HIS 98 115.535 -14.342 -14.342 722 H ARG 99 H ARG 99 111.894 -10.133 -10.133 723 HA ARG 99 HA ARG 99 111.785 -12.448 -12.448 724 1HB ARG 99 2HB ARG 99 110.527 -9.823 -9.823 725 2HB ARG 99 1HB ARG 99 110.659 -10.326 -10.326 726 1HG ARG 99 2HG ARG 99 109.603 -12.503 -12.503 727 2HG ARG 99 1HG ARG 99 109.402 -11.930 -11.930 728 1HD ARG 99 2HD ARG 99 107.411 -11.049 -11.049 729 2HD ARG 99 1HD ARG 99 108.331 -9.882 -9.882 730 HE ARG 99 HE ARG 99 108.261 -12.310 -12.310 731 1HH1 ARG 99 2HH1 ARG 99 105.559 -11.182 -11.182 732 2HH1 ARG 99 1HH1 ARG 99 104.646 -10.822 -10.822 733 1HH2 ARG 99 1HH2 ARG 99 107.319 -11.272 -11.272 734 2HH2 ARG 99 2HH2 ARG 99 105.644 -10.854 -10.854 735 H ALA 100 H ALA 100 113.931 -9.799 -9.799 736 HA ALA 100 HA ALA 100 114.827 -10.519 -10.519 737 1HB ALA 100 1HB ALA 100 114.163 -8.007 -8.007 738 2HB ALA 100 3HB ALA 100 115.700 -7.956 -7.956 739 3HB ALA 100 2HB ALA 100 114.220 -8.359 -8.359 740 H GLY 101 H GLY 101 116.447 -8.368 -8.368 741 1HA GLY 101 2HA GLY 101 118.323 -10.401 -10.401 742 2HA GLY 101 1HA GLY 101 119.016 -9.304 -9.304 743 H ALA 102 H ALA 102 117.846 -9.582 -9.582 744 HA ALA 102 HA ALA 102 119.134 -6.973 -6.973 745 1HB ALA 102 1HB ALA 102 116.551 -6.943 -6.943 746 2HB ALA 102 3HB ALA 102 116.399 -7.563 -7.563 747 3HB ALA 102 2HB ALA 102 117.172 -6.003 -6.003 748 H ARG 103 H ARG 103 120.627 -7.750 -7.750 749 HA ARG 103 HA ARG 103 120.178 -9.976 -9.976 750 1HB ARG 103 2HB ARG 103 122.391 -9.340 -9.340 751 2HB ARG 103 1HB ARG 103 122.200 -7.715 -7.715 752 1HG ARG 103 2HG ARG 103 122.727 -8.376 -8.376 753 2HG ARG 103 1HG ARG 103 121.810 -9.876 -9.876 754 1HD ARG 103 2HD ARG 103 123.617 -10.942 -10.942 755 2HD ARG 103 1HD ARG 103 124.519 -9.416 -9.416 756 HE ARG 103 HE ARG 103 124.189 -9.609 -9.609 757 1HH1 ARG 103 1HH2 ARG 103 124.214 -12.467 -12.467 758 2HH1 ARG 103 2HH2 ARG 103 125.483 -13.218 -13.218 759 1HH2 ARG 103 2HH1 ARG 103 126.164 -10.419 -10.419 760 2HH2 ARG 103 1HH1 ARG 103 126.579 -12.068 -12.068 761 H LEU 104 H LEU 104 119.571 -9.941 -9.941 762 HA LEU 104 HA LEU 104 118.718 -7.281 -7.281 763 1HB LEU 104 2HB LEU 104 117.452 -9.982 -9.982 764 2HB LEU 104 1HB LEU 104 116.777 -8.389 -8.389 765 HG LEU 104 HG LEU 104 117.153 -8.146 -8.146 766 1HD1 LEU 104 1HD1 LEU 104 116.944 -11.078 -11.078 767 2HD1 LEU 104 3HD1 LEU 104 116.202 -10.449 -10.449 768 3HD1 LEU 104 2HD1 LEU 104 117.938 -10.268 -10.268 769 1HD2 LEU 104 2HD2 LEU 104 115.020 -8.151 -8.151 770 2HD2 LEU 104 1HD2 LEU 104 114.848 -8.184 -8.184 771 3HD2 LEU 104 3HD2 LEU 104 114.718 -9.679 -9.679 772 H ASP 105 H ASP 105 121.316 -8.558 -8.558 773 HA ASP 105 HA ASP 105 121.150 -9.195 -9.195 774 1HB ASP 105 2HB ASP 105 122.957 -10.295 -10.295 775 2HB ASP 105 1HB ASP 105 123.084 -10.707 -10.707 776 H VAL 106 H VAL 106 121.580 -6.560 -6.560 777 HA VAL 106 HA VAL 106 124.468 -6.036 -6.036 778 HB VAL 106 HB VAL 106 123.433 -5.330 -5.330 779 1HG1 VAL 106 2HG1 VAL 106 121.518 -4.032 -4.032 780 2HG1 VAL 106 1HG1 VAL 106 121.872 -3.224 -3.224 781 3HG1 VAL 106 3HG1 VAL 106 121.204 -4.855 -4.855 782 1HG2 VAL 106 2HG2 VAL 106 125.266 -3.987 -3.987 783 2HG2 VAL 106 1HG2 VAL 106 124.320 -3.124 -3.124 784 3HG2 VAL 106 3HG2 VAL 106 123.989 -2.881 -2.881 785 H ARG 107 H ARG 107 124.785 -3.792 -3.792 786 HA ARG 107 HA ARG 107 122.780 -3.427 -3.427 787 1HB ARG 107 2HB ARG 107 125.778 -3.027 -3.027 788 2HB ARG 107 1HB ARG 107 124.620 -3.169 -3.169 789 1HG ARG 107 2HG ARG 107 125.207 -5.358 -5.358 790 2HG ARG 107 1HG ARG 107 124.222 -5.524 -5.524 791 1HD ARG 107 2HD ARG 107 126.211 -6.370 -6.370 792 2HD ARG 107 1HD ARG 107 126.529 -4.648 -4.648 793 HE ARG 107 HE ARG 107 127.276 -5.094 -5.094 794 1HH1 ARG 107 1HH2 ARG 107 128.403 -5.550 -5.550 795 2HH1 ARG 107 2HH2 ARG 107 129.912 -6.252 -6.252 796 1HH2 ARG 107 2HH1 ARG 107 129.126 -6.322 -6.322 797 2HH2 ARG 107 1HH1 ARG 107 130.323 -6.679 -6.679 798 H ASP 108 H ASP 108 122.415 -1.237 -1.237 799 HA ASP 108 HA ASP 108 122.779 0.754 0.754 800 1HB ASP 108 2HB ASP 108 121.330 0.339 0.339 801 2HB ASP 108 1HB ASP 108 122.174 1.880 1.880 802 H ALA 109 H ALA 109 125.294 0.209 0.209 803 HA ALA 109 HA ALA 109 127.446 1.101 1.101 804 1HB ALA 109 1HB ALA 109 125.537 3.217 3.217 805 2HB ALA 109 3HB ALA 109 126.918 3.385 3.385 806 3HB ALA 109 2HB ALA 109 127.163 3.339 3.339 807 H TRP 110 H TRP 110 125.575 1.882 1.882 808 HA TRP 110 HA TRP 110 127.737 1.175 1.175 809 1HB TRP 110 2HB TRP 110 124.752 1.526 1.526 810 2HB TRP 110 1HB TRP 110 125.928 1.430 1.430 811 HD1 TRP 110 HD1 TRP 110 128.171 3.240 3.240 812 HE1 TRP 110 HE1 TRP 110 127.896 5.761 5.761 813 HE3 TRP 110 HE3 TRP 110 123.220 3.368 3.368 814 HZ2 TRP 110 HZ2 TRP 110 125.840 7.590 7.590 815 HZ3 TRP 110 HZ3 TRP 110 122.137 5.510 5.510 816 HH2 TRP 110 HH2 TRP 110 123.437 7.615 7.615 817 H GLY 111 H GLY 111 124.552 -0.341 -0.341 818 1HA GLY 111 2HA GLY 111 125.382 -2.969 -2.969 819 2HA GLY 111 1HA GLY 111 125.420 -2.778 -2.778 820 H ARG 112 H ARG 112 123.059 -0.941 -0.941 821 HA ARG 112 HA ARG 112 120.887 -2.380 -2.380 822 1HB ARG 112 2HB ARG 112 121.316 0.131 0.131 823 2HB ARG 112 1HB ARG 112 119.682 -0.536 -0.536 824 1HG ARG 112 2HG ARG 112 120.228 -0.782 -0.782 825 2HG ARG 112 1HG ARG 112 121.226 0.623 0.623 826 1HD ARG 112 2HD ARG 112 118.332 0.458 0.458 827 2HD ARG 112 1HD ARG 112 118.806 1.135 1.135 828 HE ARG 112 HE ARG 112 120.505 2.453 2.453 829 1HH1 ARG 112 1HH2 ARG 112 117.346 2.830 2.830 830 2HH1 ARG 112 2HH2 ARG 112 116.873 3.771 3.771 831 1HH2 ARG 112 2HH1 ARG 112 119.832 3.225 3.225 832 2HH2 ARG 112 1HH1 ARG 112 118.284 4.000 4.000 833 H LEU 113 H LEU 113 119.501 -3.834 -3.834 834 HA LEU 113 HA LEU 113 120.093 -4.524 -4.524 835 1HB LEU 113 2HB LEU 113 119.115 -5.934 -5.934 836 2HB LEU 113 1HB LEU 113 118.649 -6.581 -6.581 837 HG LEU 113 HG LEU 113 120.784 -7.549 -7.549 838 1HD1 LEU 113 3HD1 LEU 113 120.671 -6.167 -6.167 839 2HD1 LEU 113 2HD1 LEU 113 122.085 -7.109 -7.109 840 3HD1 LEU 113 1HD1 LEU 113 120.504 -7.884 -7.884 841 1HD2 LEU 113 1HD2 LEU 113 121.579 -5.315 -5.315 842 2HD2 LEU 113 3HD2 LEU 113 122.790 -6.218 -6.218 843 3HD2 LEU 113 2HD2 LEU 113 121.955 -4.857 -4.857 844 HA PRO 114 HA PRO 114 116.087 -3.295 -3.295 845 1HB PRO 114 2HB PRO 114 115.378 -5.323 -5.323 846 2HB PRO 114 1HB PRO 114 116.626 -4.126 -4.126 847 1HG PRO 114 2HG PRO 114 116.934 -6.913 -6.913 848 2HG PRO 114 1HG PRO 114 117.874 -6.043 -6.043 849 1HD PRO 114 2HD PRO 114 118.739 -6.403 -6.403 850 2HD PRO 114 1HD PRO 114 119.195 -4.999 -4.999 851 H VAL 115 H VAL 115 116.335 -6.696 -6.696 852 HA VAL 115 HA VAL 115 113.549 -7.179 -7.179 853 HB VAL 115 HB VAL 115 115.486 -8.810 -8.810 854 1HG1 VAL 115 2HG1 VAL 115 116.913 -7.579 -7.579 855 2HG1 VAL 115 1HG1 VAL 115 115.857 -8.227 -8.227 856 3HG1 VAL 115 3HG1 VAL 115 116.806 -9.322 -9.322 857 1HG2 VAL 115 2HG2 VAL 115 113.567 -9.040 -9.040 858 2HG2 VAL 115 1HG2 VAL 115 113.328 -9.624 -9.624 859 3HG2 VAL 115 3HG2 VAL 115 114.530 -10.387 -10.387 860 H ASP 116 H ASP 116 116.080 -5.862 -5.862 861 HA ASP 116 HA ASP 116 114.686 -5.978 -5.978 862 1HB ASP 116 2HB ASP 116 117.057 -5.520 -5.520 863 2HB ASP 116 1HB ASP 116 116.735 -4.057 -4.057 864 H LEU 117 H LEU 117 114.830 -3.295 -3.295 865 HA LEU 117 HA LEU 117 113.298 -1.379 -1.379 866 1HB LEU 117 2HB LEU 117 113.963 -2.087 -2.087 867 2HB LEU 117 1HB LEU 117 112.569 -1.025 -1.025 868 HG LEU 117 HG LEU 117 114.916 -0.342 -0.342 869 1HD1 LEU 117 2HD1 LEU 117 114.947 -0.062 -0.062 870 2HD1 LEU 117 1HD1 LEU 117 116.041 0.796 0.796 871 3HD1 LEU 117 3HD1 LEU 117 116.095 -0.964 -0.964 872 1HD2 LEU 117 1HD2 LEU 117 112.656 0.951 0.951 873 2HD2 LEU 117 3HD2 LEU 117 113.398 1.358 1.358 874 3HD2 LEU 117 2HD2 LEU 117 114.145 1.893 1.893 875 H ALA 118 H ALA 118 112.055 -3.914 -3.914 876 HA ALA 118 HA ALA 118 109.309 -3.307 -3.307 877 1HB ALA 118 3HB ALA 118 110.815 -5.931 -5.931 878 2HB ALA 118 2HB ALA 118 109.082 -5.790 -5.790 879 3HB ALA 118 1HB ALA 118 110.227 -4.950 -4.950 880 H GLU 119 H GLU 119 111.121 -5.541 -5.541 881 HA GLU 119 HA GLU 119 108.977 -6.269 -6.269 882 1HB GLU 119 2HB GLU 119 111.967 -5.999 -5.999 883 2HB GLU 119 1HB GLU 119 111.009 -6.463 -6.463 884 1HG GLU 119 2HG GLU 119 109.942 -8.208 -8.208 885 2HG GLU 119 1HG GLU 119 111.422 -7.946 -7.946 886 H GLU 120 H GLU 120 111.382 -3.643 -3.643 887 HA GLU 120 HA GLU 120 110.251 -2.527 -2.527 888 1HB GLU 120 2HB GLU 120 112.381 -2.062 -2.062 889 2HB GLU 120 1HB GLU 120 111.472 -0.552 -0.552 890 1HG GLU 120 2HG GLU 120 111.790 -0.316 -0.316 891 2HG GLU 120 1HG GLU 120 112.181 -2.022 -2.022 892 H LEU 121 H LEU 121 109.973 -1.310 -1.310 893 HA LEU 121 HA LEU 121 107.998 0.666 0.666 894 1HB LEU 121 2HB LEU 121 109.113 -0.844 -0.844 895 2HB LEU 121 1HB LEU 121 107.561 -0.058 -0.058 896 HG LEU 121 HG LEU 121 109.200 1.799 1.799 897 1HD1 LEU 121 3HD1 LEU 121 110.662 0.103 0.103 898 2HD1 LEU 121 2HD1 LEU 121 110.836 1.839 1.839 899 3HD1 LEU 121 1HD1 LEU 121 111.282 1.134 1.134 900 1HD2 LEU 121 1HD2 LEU 121 107.339 1.938 1.938 901 2HD2 LEU 121 3HD2 LEU 121 108.552 3.207 3.207 902 3HD2 LEU 121 2HD2 LEU 121 108.746 1.953 1.953 903 H GLY 122 H GLY 122 106.993 -1.888 -1.888 904 1HA GLY 122 2HA GLY 122 105.213 -3.343 -3.343 905 2HA GLY 122 1HA GLY 122 104.320 -1.951 -1.951 906 H HIS 123 H HIS 123 106.898 -3.615 -3.615 907 HA HIS 123 HA HIS 123 104.920 -4.314 -4.314 908 1HB HIS 123 2HB HIS 123 107.947 -4.112 -4.112 909 2HB HIS 123 1HB HIS 123 106.826 -4.119 -4.119 910 HD1 HIS 123 HD1 HIS 123 104.834 -2.046 -2.046 911 HD2 HIS 123 HD2 HIS 123 108.771 -1.520 -1.520 912 HE1 HIS 123 HE1 HIS 123 105.161 0.448 0.448 913 H ARG 124 H ARG 124 104.822 -6.088 -6.088 914 HA ARG 124 HA ARG 124 106.655 -8.168 -8.168 915 1HB ARG 124 2HB ARG 124 104.759 -9.479 -9.479 916 2HB ARG 124 1HB ARG 124 104.435 -7.807 -7.807 917 1HG ARG 124 2HG ARG 124 103.156 -7.589 -7.589 918 2HG ARG 124 1HG ARG 124 103.302 -9.341 -9.341 919 1HD ARG 124 2HD ARG 124 102.332 -8.409 -8.409 920 2HD ARG 124 1HD ARG 124 101.219 -8.149 -8.149 921 HE ARG 124 HE ARG 124 101.763 -10.636 -10.636 922 1HH1 ARG 124 2HH1 ARG 124 99.818 -9.868 -9.868 923 2HH1 ARG 124 1HH1 ARG 124 100.274 -11.066 -11.066 924 1HH2 ARG 124 1HH2 ARG 124 103.198 -11.932 -11.932 925 2HH2 ARG 124 2HH2 ARG 124 102.184 -12.242 -12.242 926 H ASP 125 H ASP 125 104.322 -7.645 -7.645 927 HA ASP 125 HA ASP 125 104.617 -10.123 -10.123 928 1HB ASP 125 2HB ASP 125 103.632 -7.409 -7.409 929 2HB ASP 125 1HB ASP 125 104.333 -8.112 -8.112 930 H VAL 126 H VAL 126 106.467 -7.070 -7.070 931 HA VAL 126 HA VAL 126 108.360 -8.230 -8.230 932 HB VAL 126 HB VAL 126 108.585 -5.674 -5.674 933 1HG1 VAL 126 1HG1 VAL 126 109.979 -6.929 -6.929 934 2HG1 VAL 126 3HG1 VAL 126 109.725 -5.189 -5.189 935 3HG1 VAL 126 2HG1 VAL 126 110.611 -5.891 -5.891 936 1HG2 VAL 126 3HG2 VAL 126 106.771 -6.404 -6.404 937 2HG2 VAL 126 2HG2 VAL 126 106.701 -5.033 -5.033 938 3HG2 VAL 126 1HG2 VAL 126 107.734 -4.968 -4.968 939 H ALA 127 H ALA 127 108.396 -7.344 -7.344 940 HA ALA 127 HA ALA 127 111.083 -7.892 -7.892 941 1HB ALA 127 3HB ALA 127 108.569 -7.537 -7.537 942 2HB ALA 127 2HB ALA 127 109.382 -8.918 -8.918 943 3HB ALA 127 1HB ALA 127 110.186 -7.351 -7.351 944 H ARG 128 H ARG 128 108.335 -10.177 -10.177 945 HA ARG 128 HA ARG 128 109.836 -12.526 -12.526 946 1HB ARG 128 2HB ARG 128 107.400 -12.409 -12.409 947 2HB ARG 128 1HB ARG 128 107.326 -12.071 -12.071 948 1HG ARG 128 2HG ARG 128 108.651 -14.336 -14.336 949 2HG ARG 128 1HG ARG 128 108.000 -14.647 -14.647 950 1HD ARG 128 2HD ARG 128 105.702 -14.086 -14.086 951 2HD ARG 128 1HD ARG 128 106.459 -14.144 -14.144 952 HE ARG 128 HE ARG 128 107.302 -16.482 -16.482 953 1HH1 ARG 128 2HH1 ARG 128 105.330 -15.651 -15.651 954 2HH1 ARG 128 1HH1 ARG 128 104.090 -16.826 -16.826 955 1HH2 ARG 128 1HH2 ARG 128 105.295 -17.727 -17.727 956 2HH2 ARG 128 2HH2 ARG 128 104.073 -18.006 -18.006 957 H TYR 129 H TYR 129 108.555 -11.627 -11.627 958 HA TYR 129 HA TYR 129 109.977 -13.408 -13.408 959 1HB TYR 129 2HB TYR 129 108.294 -11.979 -11.979 960 2HB TYR 129 1HB TYR 129 109.131 -10.526 -10.526 961 HD1 TYR 129 HD1 TYR 129 111.132 -9.705 -9.705 962 HD2 TYR 129 HD2 TYR 129 109.046 -13.204 -13.204 963 HE1 TYR 129 HE1 TYR 129 112.371 -9.606 -9.606 964 HE2 TYR 129 HE2 TYR 129 110.284 -13.106 -13.106 965 HH TYR 129 HH TYR 129 112.715 -10.563 -10.563 966 H LEU 130 H LEU 130 111.081 -10.278 -10.278 967 HA LEU 130 HA LEU 130 113.595 -10.173 -10.173 968 1HB LEU 130 2HB LEU 130 112.364 -9.008 -9.008 969 2HB LEU 130 1HB LEU 130 114.078 -8.743 -8.743 970 HG LEU 130 HG LEU 130 111.788 -8.031 -8.031 971 1HD1 LEU 130 3HD1 LEU 130 113.730 -6.395 -6.395 972 2HD1 LEU 130 2HD1 LEU 130 112.653 -5.713 -5.713 973 3HD1 LEU 130 1HD1 LEU 130 111.985 -6.493 -6.493 974 1HD2 LEU 130 3HD2 LEU 130 114.622 -8.479 -8.479 975 2HD2 LEU 130 2HD2 LEU 130 113.336 -8.122 -8.122 976 3HD2 LEU 130 1HD2 LEU 130 114.182 -6.805 -6.805 977 H ARG 131 H ARG 131 112.861 -11.184 -11.184 978 HA ARG 131 HA ARG 131 115.341 -12.029 -12.029 979 1HB ARG 131 2HB ARG 131 112.875 -12.090 -12.090 980 2HB ARG 131 1HB ARG 131 112.944 -13.776 -13.776 981 1HG ARG 131 2HG ARG 131 115.287 -13.721 -13.721 982 2HG ARG 131 1HG ARG 131 114.547 -12.377 -12.377 983 1HD ARG 131 2HD ARG 131 112.699 -14.623 -14.623 984 2HD ARG 131 1HD ARG 131 114.200 -15.086 -15.086 985 HE ARG 131 HE ARG 131 113.831 -12.965 -12.965 986 1HH1 ARG 131 2HH1 ARG 131 111.174 -13.490 -13.490 987 2HH1 ARG 131 1HH1 ARG 131 109.998 -13.470 -13.470 988 1HH2 ARG 131 1HH2 ARG 131 112.362 -13.451 -13.451 989 2HH2 ARG 131 2HH2 ARG 131 110.673 -13.455 -13.455 990 H ALA 132 H ALA 132 113.345 -13.620 -13.620 991 HA ALA 132 HA ALA 132 114.956 -16.083 -16.083 992 1HB ALA 132 2HB ALA 132 112.402 -15.690 -15.690 993 2HB ALA 132 1HB ALA 132 112.944 -15.287 -15.287 994 3HB ALA 132 3HB ALA 132 113.269 -16.887 -16.887 995 H ALA 133 H ALA 133 114.114 -13.748 -13.748 996 HA ALA 133 HA ALA 133 116.314 -14.520 -14.520 997 1HB ALA 133 1HB ALA 133 114.028 -13.317 -13.317 998 2HB ALA 133 3HB ALA 133 114.928 -11.849 -11.849 999 3HB ALA 133 2HB ALA 133 115.429 -12.866 -12.866 1000 H ALA 134 H ALA 134 116.318 -12.714 -12.714 1001 HA ALA 134 HA ALA 134 118.708 -11.111 -11.111 1002 1HB ALA 134 1HB ALA 134 116.566 -10.101 -10.101 1003 2HB ALA 134 3HB ALA 134 117.078 -10.861 -10.861 1004 3HB ALA 134 2HB ALA 134 118.095 -9.639 -9.639 1005 H GLY 135 H GLY 135 117.985 -14.031 -14.031 1006 1HA GLY 135 2HA GLY 135 120.595 -14.540 -14.540 1007 2HA GLY 135 1HA GLY 135 119.609 -14.068 -14.068 1008 H GLY 136 H GLY 136 119.560 -16.294 -16.294 1009 1HA GLY 136 2HA GLY 136 117.664 -18.055 -18.055 1010 2HA GLY 136 1HA GLY 136 118.262 -18.288 -18.288 1011 H THR 137 H THR 137 120.486 -17.649 -17.649 1012 HA THR 137 HA THR 137 121.748 -20.281 -20.281 1013 HB THR 137 HB THR 137 123.484 -19.236 -19.236 1014 HG1 THR 137 HG1 THR 137 121.839 -17.824 -17.824 1015 1HG2 THR 137 2HG2 THR 137 122.714 -18.523 -18.523 1016 2HG2 THR 137 1HG2 THR 137 123.433 -17.128 -17.128 1017 3HG2 THR 137 3HG2 THR 137 124.331 -18.639 -18.639 1018 H ARG 138 H ARG 138 119.337 -19.116 -19.116 1019 HA ARG 138 HA ARG 138 118.320 -19.980 -19.980 1020 1HB ARG 138 2HB ARG 138 120.188 -22.328 -22.328 1021 2HB ARG 138 1HB ARG 138 118.593 -22.345 -22.345 1022 1HG ARG 138 2HG ARG 138 117.594 -21.652 -21.652 1023 2HG ARG 138 1HG ARG 138 119.194 -21.731 -21.731 1024 1HD ARG 138 2HD ARG 138 118.583 -23.886 -23.886 1025 2HD ARG 138 1HD ARG 138 119.037 -24.196 -24.196 1026 HE ARG 138 HE ARG 138 116.244 -23.493 -23.493 1027 1HH1 ARG 138 2HH1 ARG 138 117.112 -23.372 -23.372 1028 2HH1 ARG 138 1HH1 ARG 138 116.568 -24.912 -24.912 1029 1HH2 ARG 138 1HH2 ARG 138 116.137 -26.234 -26.234 1030 2HH2 ARG 138 2HH2 ARG 138 116.006 -26.531 -26.531 1031 H GLY 139 H GLY 139 119.622 -21.699 -21.699 1032 1HA GLY 139 2HA GLY 139 120.799 -19.766 -19.766 1033 2HA GLY 139 1HA GLY 139 120.994 -21.507 -21.507 1034 H SER 140 H SER 140 122.911 -22.487 -22.487 1035 HA SER 140 HA SER 140 125.120 -20.604 -20.604 1036 1HB SER 140 2HB SER 140 126.507 -22.327 -22.327 1037 2HB SER 140 1HB SER 140 125.057 -22.395 -22.395 1038 HG SER 140 HG SER 140 124.928 -24.384 -24.384 1039 H ASN 141 H ASN 141 126.555 -23.093 -23.093 1040 HA ASN 141 HA ASN 141 125.317 -22.986 -22.986 1041 1HB ASN 141 2HB ASN 141 127.825 -22.110 -22.110 1042 2HB ASN 141 1HB ASN 141 128.158 -23.605 -23.605 1043 1HD2 ASN 141 1HD2 ASN 141 127.421 -20.255 -20.255 1044 2HD2 ASN 141 2HD2 ASN 141 127.206 -20.272 -20.272 1045 H HIS 142 H HIS 142 124.491 -24.982 -24.982 1046 HA HIS 142 HA HIS 142 126.149 -27.388 -27.388 1047 1HB HIS 142 2HB HIS 142 124.357 -26.565 -26.565 1048 2HB HIS 142 1HB HIS 142 123.521 -27.862 -27.862 1049 HD1 HIS 142 HD1 HIS 142 125.806 -27.389 -27.389 1050 HD2 HIS 142 HD2 HIS 142 125.505 -30.198 -30.198 1051 HE1 HIS 142 HE1 HIS 142 127.133 -29.413 -29.413 1052 H ALA 143 H ALA 143 122.616 -26.925 -26.925 1053 HA ALA 143 HA ALA 143 122.325 -28.794 -28.794 1054 1HB ALA 143 3HB ALA 143 120.656 -27.758 -27.758 1055 2HB ALA 143 2HB ALA 143 120.443 -26.501 -26.501 1056 3HB ALA 143 1HB ALA 143 120.061 -28.178 -28.178 1057 H ARG 144 H ARG 144 120.709 -27.293 -27.293 1058 HA ARG 144 HA ARG 144 120.915 -25.989 -25.989 1059 1HB ARG 144 2HB ARG 144 121.604 -24.431 -24.431 1060 2HB ARG 144 1HB ARG 144 123.143 -24.435 -24.435 1061 1HG ARG 144 2HG ARG 144 122.237 -23.417 -23.417 1062 2HG ARG 144 1HG ARG 144 120.594 -23.928 -23.928 1063 1HD ARG 144 2HD ARG 144 120.760 -22.403 -22.403 1064 2HD ARG 144 1HD ARG 144 122.209 -21.719 -21.719 1065 HE ARG 144 HE ARG 144 119.589 -21.818 -21.818 1066 1HH1 ARG 144 1HH2 ARG 144 122.729 -20.686 -20.686 1067 2HH1 ARG 144 2HH2 ARG 144 122.315 -19.043 -19.043 1068 1HH2 ARG 144 2HH1 ARG 144 118.925 -19.483 -19.483 1069 2HH2 ARG 144 1HH1 ARG 144 120.169 -18.361 -18.361 1070 H ILE 145 H ILE 145 122.138 -26.140 -26.140 1071 HA ILE 145 HA ILE 145 124.666 -27.695 -27.695 1072 HB ILE 145 HB ILE 145 122.719 -28.446 -28.446 1073 1HG1 ILE 145 2HG1 ILE 145 124.218 -28.588 -28.588 1074 2HG1 ILE 145 1HG1 ILE 145 125.444 -27.884 -27.884 1075 1HG2 ILE 145 3HG2 ILE 145 122.408 -25.875 -25.875 1076 2HG2 ILE 145 2HG2 ILE 145 123.410 -26.416 -26.416 1077 3HG2 ILE 145 1HG2 ILE 145 121.869 -27.207 -27.207 1078 1HD1 ILE 145 3HD1 ILE 145 125.039 -29.695 -29.695 1079 2HD1 ILE 145 2HD1 ILE 145 123.871 -30.418 -30.418 1080 3HD1 ILE 145 1HD1 ILE 145 125.573 -30.333 -30.333 1081 H ASP 146 H ASP 146 126.467 -26.392 -26.392 1082 HA ASP 146 HA ASP 146 126.701 -23.680 -23.680 1083 1HB ASP 146 2HB ASP 146 128.839 -25.794 -25.794 1084 2HB ASP 146 1HB ASP 146 129.090 -24.099 -24.099 1085 H ALA 147 H ALA 147 125.626 -23.183 -23.183 1086 HA ALA 147 HA ALA 147 125.716 -24.421 -24.421 1087 1HB ALA 147 2HB ALA 147 124.712 -22.147 -22.147 1088 2HB ALA 147 1HB ALA 147 126.130 -21.456 -21.456 1089 3HB ALA 147 3HB ALA 147 124.954 -22.375 -22.375 1090 H ALA 148 H ALA 148 127.418 -25.140 -25.140 1091 HA ALA 148 HA ALA 148 130.138 -24.661 -24.661 1092 1HB ALA 148 2HB ALA 148 128.463 -25.990 -25.990 1093 2HB ALA 148 1HB ALA 148 129.492 -24.956 -24.956 1094 3HB ALA 148 3HB ALA 148 130.216 -26.127 -26.127 1095 H GLU 149 H GLU 149 131.487 -22.961 -22.961 1096 HA GLU 149 HA GLU 149 130.367 -20.659 -20.659 1097 1HB GLU 149 2HB GLU 149 131.367 -20.885 -20.885 1098 2HB GLU 149 1HB GLU 149 132.725 -20.206 -20.206 1099 1HG GLU 149 2HG GLU 149 131.695 -18.208 -18.208 1100 2HG GLU 149 1HG GLU 149 130.170 -18.963 -18.963 1101 H GLY 150 H GLY 150 132.508 -23.198 -23.198 1102 1HA GLY 150 2HA GLY 150 133.734 -23.352 -23.352 1103 2HA GLY 150 1HA GLY 150 134.153 -21.650 -21.650 1104 HA PRO 151 HA PRO 151 136.965 -24.571 -24.571 1105 1HB PRO 151 2HB PRO 151 138.383 -26.114 -26.114 1106 2HB PRO 151 1HB PRO 151 136.878 -26.662 -26.662 1107 1HG PRO 151 2HG PRO 151 137.314 -25.553 -25.553 1108 2HG PRO 151 1HG PRO 151 136.277 -26.890 -26.890 1109 1HD PRO 151 2HD PRO 151 135.329 -24.406 -24.406 1110 2HD PRO 151 1HD PRO 151 134.572 -25.494 -25.494 1111 H SER 152 H SER 152 138.329 -22.853 -22.853 1112 HA SER 152 HA SER 152 140.222 -21.460 -21.460 1113 1HB SER 152 2HB SER 152 140.787 -23.787 -23.787 1114 2HB SER 152 1HB SER 152 141.049 -22.574 -22.574 1115 HG SER 152 HG SER 152 142.297 -22.883 -22.883 1116 H ASP 153 H ASP 153 137.609 -21.394 -21.394 1117 HA ASP 153 HA ASP 153 136.819 -19.851 -19.851 1118 1HB ASP 153 2HB ASP 153 138.494 -18.464 -18.464 1119 2HB ASP 153 1HB ASP 153 138.158 -17.540 -17.540 1120 H ILE 154 H ILE 154 137.800 -18.013 -18.013 1121 HA ILE 154 HA ILE 154 140.379 -19.036 -19.036 1122 HB ILE 154 HB ILE 154 137.805 -18.446 -18.446 1123 1HG1 ILE 154 2HG1 ILE 154 138.262 -21.038 -21.038 1124 2HG1 ILE 154 1HG1 ILE 154 139.039 -20.938 -20.938 1125 1HG2 ILE 154 3HG2 ILE 154 140.053 -18.028 -18.028 1126 2HG2 ILE 154 2HG2 ILE 154 140.330 -19.764 -19.764 1127 3HG2 ILE 154 1HG2 ILE 154 138.966 -19.164 -19.164 1128 1HD1 ILE 154 2HD1 ILE 154 136.461 -19.562 -19.562 1129 2HD1 ILE 154 1HD1 ILE 154 136.312 -21.270 -21.270 1130 3HD1 ILE 154 3HD1 ILE 154 137.053 -20.792 -20.792 1131 HA PRO 155 HA PRO 155 140.542 -14.467 -14.467 1132 1HB PRO 155 2HB PRO 155 143.236 -14.342 -14.342 1133 2HB PRO 155 1HB PRO 155 142.061 -14.621 -14.621 1134 1HG PRO 155 2HG PRO 155 143.803 -16.563 -16.563 1135 2HG PRO 155 1HG PRO 155 143.338 -16.503 -16.503 1136 1HD PRO 155 2HD PRO 155 142.213 -18.198 -18.198 1137 2HD PRO 155 1HD PRO 155 141.391 -17.637 -17.637 1138 H ASP 156 HN ASP 156 140.683 -13.348 -13.348 1139 HA ASP 156 HA ASP 156 142.432 -14.445 -14.445 1140 1HB ASP 156 2HB ASP 156 139.882 -12.859 -12.859 1141 2HB ASP 156 1HB ASP 156 140.868 -12.759 -12.759 Start of MODEL 16 1 1H MET 1 1H MET 1 121.135 42.016 42.016 2 2H MET 1 3H MET 1 121.084 43.525 43.525 3 3H MET 1 2H MET 1 122.325 43.182 43.182 4 HA MET 1 HA MET 1 123.368 42.910 42.910 5 1HB MET 1 2HB MET 1 120.597 42.324 42.324 6 2HB MET 1 1HB MET 1 121.685 41.167 41.167 7 1HG MET 1 2HG MET 1 121.978 42.760 42.760 8 2HG MET 1 1HG MET 1 123.010 43.555 43.555 9 1HE MET 1 2HE MET 1 119.568 42.699 42.699 10 2HE MET 1 1HE MET 1 119.451 44.025 44.025 11 3HE MET 1 3HE MET 1 118.537 44.082 44.082 12 H GLU 2 H GLU 2 121.279 40.043 40.043 13 HA GLU 2 HA GLU 2 123.729 38.490 38.490 14 1HB GLU 2 2HB GLU 2 122.319 38.320 38.320 15 2HB GLU 2 1HB GLU 2 121.486 37.114 37.114 16 1HG GLU 2 2HG GLU 2 123.176 35.665 35.665 17 2HG GLU 2 1HG GLU 2 124.298 36.796 36.796 18 HA PRO 3 HA PRO 3 121.107 37.593 37.593 19 1HB PRO 3 2HB PRO 3 122.818 35.894 35.894 20 2HB PRO 3 1HB PRO 3 123.022 37.656 37.656 21 1HG PRO 3 2HG PRO 3 124.465 35.591 35.591 22 2HG PRO 3 1HG PRO 3 125.048 37.126 37.126 23 1HD PRO 3 2HD PRO 3 124.381 36.680 36.680 24 2HD PRO 3 1HD PRO 3 124.471 38.274 38.274 25 H ALA 4 H ALA 4 119.404 36.209 36.209 26 HA ALA 4 HA ALA 4 119.967 33.442 33.442 27 1HB ALA 4 1HB ALA 4 117.594 35.316 35.316 28 2HB ALA 4 3HB ALA 4 117.474 33.617 33.617 29 3HB ALA 4 2HB ALA 4 118.552 34.690 34.690 30 H ALA 5 H ALA 5 118.772 31.688 31.688 31 HA ALA 5 HA ALA 5 117.532 32.320 32.320 32 1HB ALA 5 3HB ALA 5 119.941 31.821 31.821 33 2HB ALA 5 2HB ALA 5 119.726 30.292 30.292 34 3HB ALA 5 1HB ALA 5 118.946 30.550 30.550 35 H GLY 6 H GLY 6 117.226 29.610 29.610 36 1HA GLY 6 2HA GLY 6 115.001 28.817 28.817 37 2HA GLY 6 1HA GLY 6 115.530 27.982 27.982 38 H SER 7 H SER 7 116.771 28.657 28.657 39 HA SER 7 HA SER 7 118.027 27.285 27.285 40 1HB SER 7 2HB SER 7 116.890 25.287 25.287 41 2HB SER 7 1HB SER 7 115.661 26.202 26.202 42 HG SER 7 HG SER 7 116.037 24.007 24.007 43 H SER 8 H SER 8 119.224 24.887 24.887 44 HA SER 8 HA SER 8 121.231 25.237 25.237 45 1HB SER 8 2HB SER 8 122.310 23.364 23.364 46 2HB SER 8 1HB SER 8 121.833 24.682 24.682 47 HG SER 8 HG SER 8 120.317 22.334 22.334 48 H MET 9 H MET 9 121.962 22.899 22.899 49 HA MET 9 HA MET 9 119.986 22.080 22.080 50 1HB MET 9 2HB MET 9 122.514 20.818 20.818 51 2HB MET 9 1HB MET 9 121.600 20.087 20.087 52 1HG MET 9 2HG MET 9 121.737 22.521 22.521 53 2HG MET 9 1HG MET 9 123.132 22.662 22.662 54 1HE MET 9 2HE MET 9 124.994 22.039 22.039 55 2HE MET 9 1HE MET 9 125.554 20.445 20.445 56 3HE MET 9 3HE MET 9 125.755 21.832 21.832 57 H GLU 10 H GLU 10 119.655 19.404 19.404 58 HA GLU 10 HA GLU 10 117.508 18.821 18.821 59 1HB GLU 10 2HB GLU 10 119.624 17.211 17.211 60 2HB GLU 10 1HB GLU 10 118.431 16.377 16.377 61 1HG GLU 10 2HG GLU 10 116.716 17.880 17.880 62 2HG GLU 10 1HG GLU 10 118.021 17.965 17.965 63 HA PRO 11 HA PRO 11 119.637 18.569 18.569 64 1HB PRO 11 2HB PRO 11 117.425 18.076 18.076 65 2HB PRO 11 1HB PRO 11 117.849 19.694 19.694 66 1HG PRO 11 2HG PRO 11 115.818 17.774 17.774 67 2HG PRO 11 1HG PRO 11 115.763 19.541 19.541 68 1HD PRO 11 2HD PRO 11 116.278 18.111 18.111 69 2HD PRO 11 1HD PRO 11 116.795 19.788 19.788 70 H SER 12 H SER 12 119.376 16.874 16.874 71 HA SER 12 HA SER 12 120.012 14.270 14.270 72 1HB SER 12 2HB SER 12 120.943 14.758 14.758 73 2HB SER 12 1HB SER 12 119.493 15.579 15.579 74 HG SER 12 HG SER 12 120.211 13.165 13.165 75 H ALA 13 H ALA 13 118.699 12.326 12.326 76 HA ALA 13 HA ALA 13 115.931 12.519 12.519 77 1HB ALA 13 2HB ALA 13 117.704 10.272 10.272 78 2HB ALA 13 1HB ALA 13 116.057 10.024 10.024 79 3HB ALA 13 3HB ALA 13 117.297 10.638 10.638 80 H ASP 14 H ASP 14 116.000 14.085 14.085 81 HA ASP 14 HA ASP 14 115.657 12.858 12.858 82 1HB ASP 14 2HB ASP 14 114.930 15.419 15.419 83 2HB ASP 14 1HB ASP 14 114.158 15.069 15.069 84 H TRP 15 H TRP 15 113.357 13.476 13.476 85 HA TRP 15 HA TRP 15 110.868 13.099 13.099 86 1HB TRP 15 2HB TRP 15 111.998 13.070 13.070 87 2HB TRP 15 1HB TRP 15 111.343 11.441 11.441 88 HD1 TRP 15 HD1 TRP 15 108.975 12.887 12.887 89 HE1 TRP 15 HE1 TRP 15 106.934 13.854 13.854 90 HE3 TRP 15 HE3 TRP 15 110.896 13.226 13.226 91 HZ2 TRP 15 HZ2 TRP 15 106.209 14.657 14.657 92 HZ3 TRP 15 HZ3 TRP 15 109.508 14.094 14.094 93 HH2 TRP 15 HH2 TRP 15 107.170 14.810 14.810 94 H LEU 16 H LEU 16 113.280 10.572 10.572 95 HA LEU 16 HA LEU 16 111.830 8.238 8.238 96 1HB LEU 16 2HB LEU 16 114.503 9.106 9.106 97 2HB LEU 16 1HB LEU 16 114.418 8.243 8.243 98 HG LEU 16 HG LEU 16 112.931 6.678 6.678 99 1HD1 LEU 16 3HD1 LEU 16 113.871 8.119 8.119 100 2HD1 LEU 16 2HD1 LEU 16 115.446 7.424 7.424 101 3HD1 LEU 16 1HD1 LEU 16 114.136 6.383 6.383 102 1HD2 LEU 16 2HD2 LEU 16 114.622 5.996 5.996 103 2HD2 LEU 16 1HD2 LEU 16 114.761 5.088 5.088 104 3HD2 LEU 16 3HD2 LEU 16 115.893 6.395 6.395 105 H ALA 17 H ALA 17 113.960 9.116 9.116 106 HA ALA 17 HA ALA 17 112.571 7.986 7.986 107 1HB ALA 17 3HB ALA 17 114.214 10.535 10.535 108 2HB ALA 17 2HB ALA 17 113.891 9.575 9.575 109 3HB ALA 17 1HB ALA 17 114.855 8.898 8.898 110 H THR 18 H THR 18 112.337 11.450 11.450 111 HA THR 18 HA THR 18 110.541 12.480 12.480 112 HB THR 18 HB THR 18 109.595 13.701 13.701 113 HG1 THR 18 HG1 THR 18 111.762 12.327 12.327 114 1HG2 THR 18 3HG2 THR 18 111.399 14.565 14.565 115 2HG2 THR 18 2HG2 THR 18 112.582 13.676 13.676 116 3HG2 THR 18 1HG2 THR 18 111.661 14.989 14.989 117 H ALA 19 H ALA 19 109.374 10.942 10.942 118 HA ALA 19 HA ALA 19 106.630 10.834 10.834 119 1HB ALA 19 3HB ALA 19 107.700 10.382 10.382 120 2HB ALA 19 2HB ALA 19 108.253 8.828 8.828 121 3HB ALA 19 1HB ALA 19 106.526 9.149 9.149 122 H ALA 20 H ALA 20 109.074 8.226 8.226 123 HA ALA 20 HA ALA 20 107.460 6.337 6.337 124 1HB ALA 20 1HB ALA 20 110.019 6.483 6.483 125 2HB ALA 20 3HB ALA 20 110.283 6.752 6.752 126 3HB ALA 20 2HB ALA 20 109.490 5.276 5.276 127 H ALA 21 H ALA 21 109.409 9.018 9.018 128 HA ALA 21 HA ALA 21 108.691 8.549 8.549 129 1HB ALA 21 1HB ALA 21 110.071 10.634 10.634 130 2HB ALA 21 3HB ALA 21 109.603 11.049 11.049 131 3HB ALA 21 2HB ALA 21 110.697 9.698 9.698 132 H ARG 22 H ARG 22 107.128 10.103 10.103 133 HA ARG 22 HA ARG 22 105.348 11.701 11.701 134 1HB ARG 22 2HB ARG 22 106.448 12.745 12.745 135 2HB ARG 22 1HB ARG 22 105.690 11.557 11.557 136 1HG ARG 22 2HG ARG 22 103.562 12.466 12.466 137 2HG ARG 22 1HG ARG 22 103.969 13.212 13.212 138 1HD ARG 22 2HD ARG 22 105.198 14.966 14.966 139 2HD ARG 22 1HD ARG 22 105.260 14.101 14.101 140 HE ARG 22 HE ARG 22 102.524 14.434 14.434 141 1HH1 ARG 22 2HH1 ARG 22 105.195 15.907 15.907 142 2HH1 ARG 22 1HH1 ARG 22 104.274 17.260 17.260 143 1HH2 ARG 22 1HH2 ARG 22 101.367 16.316 16.316 144 2HH2 ARG 22 2HH2 ARG 22 102.111 17.487 17.487 145 H GLY 23 H GLY 23 105.313 8.618 8.618 146 1HA GLY 23 2HA GLY 23 103.690 6.963 6.963 147 2HA GLY 23 1HA GLY 23 102.547 8.195 8.195 148 H ARG 24 H ARG 24 104.562 7.789 7.789 149 HA ARG 24 HA ARG 24 102.049 8.084 8.084 150 1HB ARG 24 2HB ARG 24 104.770 9.374 9.374 151 2HB ARG 24 1HB ARG 24 103.710 9.266 9.266 152 1HG ARG 24 2HG ARG 24 102.889 10.481 10.481 153 2HG ARG 24 1HG ARG 24 103.464 11.416 11.416 154 1HD ARG 24 2HD ARG 24 101.430 9.643 9.643 155 2HD ARG 24 1HD ARG 24 100.803 10.469 10.469 156 HE ARG 24 HE ARG 24 102.242 12.279 12.279 157 1HH1 ARG 24 2HH1 ARG 24 99.417 10.392 10.392 158 2HH1 ARG 24 1HH1 ARG 24 98.381 11.713 11.713 159 1HH2 ARG 24 1HH2 ARG 24 100.832 14.126 14.126 160 2HH2 ARG 24 2HH2 ARG 24 99.184 13.826 13.826 161 H VAL 25 H VAL 25 101.887 5.847 5.847 162 HA VAL 25 HA VAL 25 104.153 4.246 4.246 163 HB VAL 25 HB VAL 25 101.142 3.971 3.971 164 1HG1 VAL 25 1HG1 VAL 25 103.181 2.008 2.008 165 2HG1 VAL 25 3HG1 VAL 25 101.547 1.548 1.548 166 3HG1 VAL 25 2HG1 VAL 25 101.792 2.683 2.683 167 1HG2 VAL 25 3HG2 VAL 25 103.052 3.707 3.707 168 2HG2 VAL 25 2HG2 VAL 25 101.496 2.876 2.876 169 3HG2 VAL 25 1HG2 VAL 25 102.928 2.047 2.047 170 H GLU 26 H GLU 26 101.404 5.790 5.790 171 HA GLU 26 HA GLU 26 102.040 4.865 4.865 172 1HB GLU 26 2HB GLU 26 100.689 7.421 7.421 173 2HB GLU 26 1HB GLU 26 100.540 6.707 6.707 174 1HG GLU 26 2HG GLU 26 99.634 4.623 4.623 175 2HG GLU 26 1HG GLU 26 99.619 5.496 5.496 176 H GLU 27 H GLU 27 102.926 7.913 7.913 177 HA GLU 27 HA GLU 27 104.288 9.221 9.221 178 1HB GLU 27 2HB GLU 27 104.772 9.041 9.041 179 2HB GLU 27 1HB GLU 27 105.614 10.193 10.193 180 1HG GLU 27 2HG GLU 27 102.859 10.384 10.384 181 2HG GLU 27 1HG GLU 27 102.960 10.386 10.386 182 H VAL 28 H VAL 28 105.568 6.820 6.820 183 HA VAL 28 HA VAL 28 108.236 6.838 6.838 184 HB VAL 28 HB VAL 28 106.974 4.703 4.703 185 1HG1 VAL 28 3HG1 VAL 28 109.575 5.133 5.133 186 2HG1 VAL 28 2HG1 VAL 28 109.653 5.549 5.549 187 3HG1 VAL 28 1HG1 VAL 28 109.089 3.953 3.953 188 1HG2 VAL 28 3HG2 VAL 28 106.910 7.398 7.398 189 2HG2 VAL 28 2HG2 VAL 28 106.890 6.082 6.082 190 3HG2 VAL 28 1HG2 VAL 28 108.414 6.864 6.864 191 H ARG 29 H ARG 29 105.467 4.560 4.560 192 HA ARG 29 HA ARG 29 106.533 2.493 2.493 193 1HB ARG 29 2HB ARG 29 103.959 3.561 3.561 194 2HB ARG 29 1HB ARG 29 103.912 3.076 3.076 195 1HG ARG 29 2HG ARG 29 103.506 1.001 1.001 196 2HG ARG 29 1HG ARG 29 105.248 0.962 0.962 197 1HD ARG 29 2HD ARG 29 105.038 1.324 1.324 198 2HD ARG 29 1HD ARG 29 103.515 2.216 2.216 199 HE ARG 29 HE ARG 29 103.785 -0.752 -0.752 200 1HH1 ARG 29 2HH1 ARG 29 101.720 1.694 1.694 201 2HH1 ARG 29 1HH1 ARG 29 100.318 1.081 1.081 202 1HH2 ARG 29 1HH2 ARG 29 102.056 -1.377 -1.377 203 2HH2 ARG 29 2HH2 ARG 29 100.506 -0.663 -0.663 204 H ALA 30 H ALA 30 105.131 5.567 5.567 205 HA ALA 30 HA ALA 30 105.624 4.988 4.988 206 1HB ALA 30 2HB ALA 30 103.900 6.539 6.539 207 2HB ALA 30 1HB ALA 30 105.225 7.696 7.696 208 3HB ALA 30 3HB ALA 30 104.682 7.148 7.148 209 H LEU 31 H LEU 31 107.357 6.707 6.707 210 HA LEU 31 HA LEU 31 109.309 8.013 8.013 211 1HB LEU 31 2HB LEU 31 108.918 7.258 7.258 212 2HB LEU 31 1HB LEU 31 110.566 7.652 7.652 213 HG LEU 31 HG LEU 31 108.380 9.477 9.477 214 1HD1 LEU 31 1HD1 LEU 31 108.526 8.774 8.774 215 2HD1 LEU 31 3HD1 LEU 31 109.518 10.228 10.228 216 3HD1 LEU 31 2HD1 LEU 31 107.841 10.271 10.271 217 1HD2 LEU 31 2HD2 LEU 31 111.287 9.448 9.448 218 2HD2 LEU 31 1HD2 LEU 31 110.279 10.506 10.506 219 3HD2 LEU 31 3HD2 LEU 31 110.561 10.888 10.888 220 H LEU 32 H LEU 32 109.873 5.208 5.208 221 HA LEU 32 HA LEU 32 112.320 4.323 4.323 222 1HB LEU 32 2HB LEU 32 109.893 2.948 2.948 223 2HB LEU 32 1HB LEU 32 111.317 2.018 2.018 224 HG LEU 32 HG LEU 32 111.870 4.438 4.438 225 1HD1 LEU 32 2HD1 LEU 32 109.692 3.271 3.271 226 2HD1 LEU 32 1HD1 LEU 32 110.817 2.036 2.036 227 3HD1 LEU 32 3HD1 LEU 32 110.975 3.695 3.695 228 1HD2 LEU 32 2HD2 LEU 32 113.227 2.157 2.157 229 2HD2 LEU 32 1HD2 LEU 32 113.704 3.228 3.228 230 3HD2 LEU 32 3HD2 LEU 32 112.754 1.784 1.784 231 H GLU 33 H GLU 33 109.104 3.798 3.798 232 HA GLU 33 HA GLU 33 109.923 1.859 1.859 233 1HB GLU 33 2HB GLU 33 107.579 3.367 3.367 234 2HB GLU 33 1HB GLU 33 107.713 3.343 3.343 235 1HG GLU 33 2HG GLU 33 108.010 0.843 0.843 236 2HG GLU 33 1HG GLU 33 106.446 1.386 1.386 237 H ALA 34 H ALA 34 109.936 5.385 5.385 238 HA ALA 34 HA ALA 34 110.503 5.731 5.731 239 1HB ALA 34 1HB ALA 34 109.353 7.296 7.296 240 2HB ALA 34 3HB ALA 34 111.009 7.755 7.755 241 3HB ALA 34 2HB ALA 34 110.387 8.015 8.015 242 H GLY 35 H GLY 35 112.343 4.738 4.738 243 1HA GLY 35 2HA GLY 35 114.674 4.059 4.059 244 2HA GLY 35 1HA GLY 35 114.844 5.523 5.523 245 H ALA 36 H ALA 36 113.189 5.486 5.486 246 HA ALA 36 HA ALA 36 114.578 7.701 7.701 247 1HB ALA 36 2HB ALA 36 112.422 6.292 6.292 248 2HB ALA 36 1HB ALA 36 113.555 5.500 5.500 249 3HB ALA 36 3HB ALA 36 113.285 7.239 7.239 250 H LEU 37 H LEU 37 116.140 7.670 7.670 251 HA LEU 37 HA LEU 37 118.357 5.839 5.839 252 1HB LEU 37 2HB LEU 37 118.291 8.371 8.371 253 2HB LEU 37 1HB LEU 37 118.145 7.768 7.768 254 HG LEU 37 HG LEU 37 120.205 6.412 6.412 255 1HD1 LEU 37 1HD1 LEU 37 119.731 7.201 7.201 256 2HD1 LEU 37 3HD1 LEU 37 121.342 7.717 7.717 257 3HD1 LEU 37 2HD1 LEU 37 120.879 6.020 6.020 258 1HD2 LEU 37 1HD2 LEU 37 120.009 9.053 9.053 259 2HD2 LEU 37 3HD2 LEU 37 121.539 8.175 8.175 260 3HD2 LEU 37 2HD2 LEU 37 121.069 9.137 9.137 261 HA PRO 38 HA PRO 38 116.927 2.912 2.912 262 1HB PRO 38 2HB PRO 38 119.091 1.242 1.242 263 2HB PRO 38 1HB PRO 38 117.814 1.256 1.256 264 1HG PRO 38 2HG PRO 38 120.520 2.498 2.498 265 2HG PRO 38 1HG PRO 38 119.622 1.685 1.685 266 1HD PRO 38 2HD PRO 38 119.822 4.391 4.391 267 2HD PRO 38 1HD PRO 38 118.443 3.568 3.568 268 H ASN 39 H ASN 39 120.088 4.473 4.473 269 HA ASN 39 HA ASN 39 120.068 4.363 4.363 270 1HB ASN 39 2HB ASN 39 122.303 3.852 3.852 271 2HB ASN 39 1HB ASN 39 122.595 4.135 4.135 272 1HD2 ASN 39 1HD2 ASN 39 120.696 2.689 2.689 273 2HD2 ASN 39 2HD2 ASN 39 120.748 1.050 1.050 274 H ALA 40 H ALA 40 119.128 6.569 6.569 275 HA ALA 40 HA ALA 40 120.968 8.632 8.632 276 1HB ALA 40 3HB ALA 40 118.206 8.182 8.182 277 2HB ALA 40 2HB ALA 40 118.439 9.508 9.508 278 3HB ALA 40 1HB ALA 40 119.010 9.662 9.662 279 HA PRO 41 HA PRO 41 122.258 9.419 9.419 280 1HB PRO 41 2HB PRO 41 123.815 11.609 11.609 281 2HB PRO 41 1HB PRO 41 124.342 9.948 9.948 282 1HG PRO 41 2HG PRO 41 123.293 12.012 12.012 283 2HG PRO 41 1HG PRO 41 124.558 10.799 10.799 284 1HD PRO 41 2HD PRO 41 121.998 10.564 10.564 285 2HD PRO 41 1HD PRO 41 123.066 9.184 9.184 286 H ASN 42 H ASN 42 120.195 10.104 10.104 287 HA ASN 42 HA ASN 42 118.967 12.629 12.629 288 1HB ASN 42 2HB ASN 42 118.778 10.767 10.767 289 2HB ASN 42 1HB ASN 42 117.641 12.072 12.072 290 1HD2 ASN 42 1HD2 ASN 42 116.321 11.871 11.871 291 2HD2 ASN 42 2HD2 ASN 42 116.063 10.344 10.344 292 H SER 43 H SER 43 118.474 13.899 13.899 293 HA SER 43 HA SER 43 121.150 15.032 15.032 294 1HB SER 43 2HB SER 43 119.984 16.948 16.948 295 2HB SER 43 1HB SER 43 118.509 16.023 16.023 296 HG SER 43 HG SER 43 118.845 17.578 17.578 297 H TYR 44 H TYR 44 119.163 12.696 12.696 298 HA TYR 44 HA TYR 44 119.588 13.506 13.506 299 1HB TYR 44 2HB TYR 44 118.009 11.126 11.126 300 2HB TYR 44 1HB TYR 44 117.760 12.098 12.098 301 HD1 TYR 44 HD1 TYR 44 116.689 14.329 14.329 302 HD2 TYR 44 HD2 TYR 44 117.133 11.807 11.807 303 HE1 TYR 44 HE1 TYR 44 115.027 15.705 15.705 304 HE2 TYR 44 HE2 TYR 44 115.474 13.186 13.186 305 HH TYR 44 HH TYR 44 114.190 15.007 15.007 306 H GLY 45 H GLY 45 121.627 12.254 12.254 307 1HA GLY 45 2HA GLY 45 123.274 10.583 10.583 308 2HA GLY 45 1HA GLY 45 123.042 10.627 10.627 309 H ARG 46 H ARG 46 120.320 9.889 9.889 310 HA ARG 46 HA ARG 46 120.531 7.005 7.005 311 1HB ARG 46 2HB ARG 46 118.432 9.098 9.098 312 2HB ARG 46 1HB ARG 46 117.866 7.484 7.484 313 1HG ARG 46 2HG ARG 46 118.545 6.558 6.558 314 2HG ARG 46 1HG ARG 46 119.879 7.695 7.695 315 1HD ARG 46 2HD ARG 46 118.179 9.507 9.507 316 2HD ARG 46 1HD ARG 46 116.929 8.247 8.247 317 HE ARG 46 HE ARG 46 119.244 7.661 7.661 318 1HH1 ARG 46 2HH1 ARG 46 116.100 7.129 7.129 319 2HH1 ARG 46 1HH1 ARG 46 115.749 7.881 7.881 320 1HH2 ARG 46 1HH2 ARG 46 118.813 9.486 9.486 321 2HH2 ARG 46 2HH2 ARG 46 117.283 9.216 9.216 322 H ARG 47 H ARG 47 118.328 6.098 6.098 323 HA ARG 47 HA ARG 47 118.754 6.890 6.890 324 1HB ARG 47 2HB ARG 47 119.741 4.578 4.578 325 2HB ARG 47 1HB ARG 47 118.486 4.042 4.042 326 1HG ARG 47 2HG ARG 47 120.314 4.031 4.031 327 2HG ARG 47 1HG ARG 47 119.750 5.684 5.684 328 1HD ARG 47 2HD ARG 47 121.407 5.853 5.853 329 2HD ARG 47 1HD ARG 47 122.267 4.771 4.771 330 HE ARG 47 HE ARG 47 121.088 7.210 7.210 331 1HH1 ARG 47 2HH1 ARG 47 123.191 5.679 5.679 332 2HH1 ARG 47 1HH1 ARG 47 124.621 6.598 6.598 333 1HH2 ARG 47 1HH2 ARG 47 123.212 8.335 8.335 334 2HH2 ARG 47 2HH2 ARG 47 124.634 8.098 8.098 335 HA PRO 48 HA PRO 48 114.430 6.131 6.131 336 1HB PRO 48 2HB PRO 48 114.076 4.089 4.089 337 2HB PRO 48 1HB PRO 48 114.577 5.728 5.728 338 1HG PRO 48 2HG PRO 48 116.241 3.286 3.286 339 2HG PRO 48 1HG PRO 48 116.336 4.522 4.522 340 1HD PRO 48 2HD PRO 48 118.025 4.482 4.482 341 2HD PRO 48 1HD PRO 48 117.492 6.003 6.003 342 H ILE 49 H ILE 49 112.635 4.669 4.669 343 HA ILE 49 HA ILE 49 111.644 2.961 2.961 344 HB ILE 49 HB ILE 49 114.311 1.548 1.548 345 1HG1 ILE 49 2HG1 ILE 49 111.957 1.836 1.836 346 2HG1 ILE 49 1HG1 ILE 49 113.669 2.063 2.063 347 1HG2 ILE 49 3HG2 ILE 49 112.243 0.846 0.846 348 2HG2 ILE 49 2HG2 ILE 49 111.667 0.174 0.174 349 3HG2 ILE 49 1HG2 ILE 49 113.214 -0.348 -0.348 350 1HD1 ILE 49 2HD1 ILE 49 114.023 -0.382 -0.382 351 2HD1 ILE 49 1HD1 ILE 49 112.275 -0.558 -0.558 352 3HD1 ILE 49 3HD1 ILE 49 112.973 -0.066 -0.066 353 H GLN 50 H GLN 50 115.122 3.109 3.109 354 HA GLN 50 HA GLN 50 114.786 2.695 2.695 355 1HB GLN 50 2HB GLN 50 116.857 3.180 3.180 356 2HB GLN 50 1HB GLN 50 116.737 4.764 4.764 357 1HG GLN 50 2HG GLN 50 116.745 3.586 3.586 358 2HG GLN 50 1HG GLN 50 117.114 2.091 2.091 359 1HE2 GLN 50 1HE2 GLN 50 119.122 2.309 2.309 360 2HE2 GLN 50 2HE2 GLN 50 120.430 3.213 3.213 361 H VAL 51 H VAL 51 113.899 5.462 5.462 362 HA VAL 51 HA VAL 51 113.173 6.941 6.941 363 HB VAL 51 HB VAL 51 115.097 7.899 7.899 364 1HG1 VAL 51 1HG1 VAL 51 114.159 7.050 7.050 365 2HG1 VAL 51 3HG1 VAL 51 113.129 8.481 8.481 366 3HG1 VAL 51 2HG1 VAL 51 114.884 8.656 8.656 367 1HG2 VAL 51 1HG2 VAL 51 113.385 9.319 9.319 368 2HG2 VAL 51 3HG2 VAL 51 114.291 10.159 10.159 369 3HG2 VAL 51 2HG2 VAL 51 112.636 9.635 9.635 370 H MET 52 H MET 52 111.799 5.152 5.152 371 HA MET 52 HA MET 52 109.795 6.917 6.917 372 1HB MET 52 2HB MET 52 108.880 4.903 4.903 373 2HB MET 52 1HB MET 52 110.616 4.639 4.639 374 1HG MET 52 2HG MET 52 110.461 3.079 3.079 375 2HG MET 52 1HG MET 52 108.996 3.789 3.789 376 1HE MET 52 1HE MET 52 108.765 0.929 0.929 377 2HE MET 52 3HE MET 52 108.515 -0.032 -0.032 378 3HE MET 52 2HE MET 52 110.086 0.695 0.695 379 H MET 53 H MET 53 107.482 6.843 6.843 380 HA MET 53 HA MET 53 106.799 7.488 7.488 381 1HB MET 53 2HB MET 53 105.541 7.394 7.394 382 2HB MET 53 1HB MET 53 104.897 5.893 5.893 383 1HG MET 53 2HG MET 53 104.839 8.068 8.068 384 2HG MET 53 1HG MET 53 103.918 8.457 8.457 385 1HE MET 53 2HE MET 53 103.110 6.250 6.250 386 2HE MET 53 1HE MET 53 101.933 5.170 5.170 387 3HE MET 53 3HE MET 53 101.541 6.878 6.878 388 H MET 54 H MET 54 107.303 4.286 4.286 389 HA MET 54 HA MET 54 107.382 2.178 2.178 390 1HB MET 54 2HB MET 54 107.977 4.166 4.166 391 2HB MET 54 1HB MET 54 107.037 2.869 2.869 392 1HG MET 54 2HG MET 54 109.325 2.186 2.186 393 2HG MET 54 1HG MET 54 108.627 1.240 1.240 394 1HE MET 54 2HE MET 54 110.016 0.579 0.579 395 2HE MET 54 1HE MET 54 111.003 1.462 1.462 396 3HE MET 54 3HE MET 54 111.655 1.060 1.060 397 H GLY 55 H GLY 55 104.790 3.920 3.920 398 1HA GLY 55 2HA GLY 55 102.977 2.180 2.180 399 2HA GLY 55 1HA GLY 55 102.535 3.782 3.782 400 H SER 56 H SER 56 104.427 1.982 1.982 401 HA SER 56 HA SER 56 102.100 0.792 0.792 402 1HB SER 56 2HB SER 56 103.505 3.285 3.285 403 2HB SER 56 1HB SER 56 103.476 2.150 2.150 404 HG SER 56 HG SER 56 101.495 2.814 2.814 405 H ALA 57 H ALA 57 103.275 -1.219 -1.219 406 HA ALA 57 HA ALA 57 105.979 -1.804 -1.804 407 1HB ALA 57 2HB ALA 57 103.804 -3.123 -3.123 408 2HB ALA 57 1HB ALA 57 103.920 -3.840 -3.840 409 3HB ALA 57 3HB ALA 57 105.283 -3.948 -3.948 410 H ARG 58 H ARG 58 103.319 -1.277 -1.277 411 HA ARG 58 HA ARG 58 104.258 -2.639 -2.639 412 1HB ARG 58 2HB ARG 58 102.630 -0.136 -0.136 413 2HB ARG 58 1HB ARG 58 102.876 -0.791 -0.791 414 1HG ARG 58 2HG ARG 58 102.043 -3.028 -3.028 415 2HG ARG 58 1HG ARG 58 101.460 -2.071 -2.071 416 1HD ARG 58 2HD ARG 58 99.728 -1.187 -1.187 417 2HD ARG 58 1HD ARG 58 100.742 -0.959 -0.959 418 HE ARG 58 HE ARG 58 100.554 -3.687 -3.687 419 1HH1 ARG 58 1HH2 ARG 58 98.178 -1.159 -1.159 420 2HH1 ARG 58 2HH2 ARG 58 96.931 -2.124 -2.124 421 1HH2 ARG 58 2HH1 ARG 58 98.932 -4.912 -4.912 422 2HH2 ARG 58 1HH1 ARG 58 97.353 -4.231 -4.231 423 H VAL 59 H VAL 59 105.091 0.542 0.542 424 HA VAL 59 HA VAL 59 106.560 1.591 1.591 425 HB VAL 59 HB VAL 59 107.006 1.892 1.892 426 1HG1 VAL 59 3HG1 VAL 59 108.142 3.214 3.214 427 2HG1 VAL 59 2HG1 VAL 59 107.665 4.281 4.281 428 3HG1 VAL 59 1HG1 VAL 59 108.844 3.000 3.000 429 1HG2 VAL 59 3HG2 VAL 59 104.675 2.389 2.389 430 2HG2 VAL 59 2HG2 VAL 59 105.365 3.558 3.558 431 3HG2 VAL 59 1HG2 VAL 59 105.497 3.823 3.823 432 H ALA 60 H ALA 60 107.684 -0.316 -0.316 433 HA ALA 60 HA ALA 60 110.415 -0.506 -0.506 434 1HB ALA 60 2HB ALA 60 109.122 -1.288 -1.288 435 2HB ALA 60 1HB ALA 60 108.692 -2.726 -2.726 436 3HB ALA 60 3HB ALA 60 110.382 -2.388 -2.388 437 H GLU 61 H GLU 61 107.849 -2.883 -2.883 438 HA GLU 61 HA GLU 61 109.355 -4.624 -4.624 439 1HB GLU 61 2HB GLU 61 106.906 -4.712 -4.712 440 2HB GLU 61 1HB GLU 61 106.566 -3.602 -3.602 441 1HG GLU 61 2HG GLU 61 108.194 -5.990 -5.990 442 2HG GLU 61 1HG GLU 61 106.502 -6.292 -6.292 443 H LEU 62 H LEU 62 107.874 -1.508 -1.508 444 HA LEU 62 HA LEU 62 108.636 -1.664 -1.664 445 1HB LEU 62 2HB LEU 62 106.902 -0.205 -0.205 446 2HB LEU 62 1HB LEU 62 107.553 0.284 0.284 447 HG LEU 62 HG LEU 62 109.326 1.541 1.541 448 1HD1 LEU 62 1HD1 LEU 62 108.134 0.168 0.168 449 2HD1 LEU 62 3HD1 LEU 62 108.317 1.902 1.902 450 3HD1 LEU 62 2HD1 LEU 62 109.719 0.923 0.923 451 1HD2 LEU 62 1HD2 LEU 62 107.213 2.634 2.634 452 2HD2 LEU 62 3HD2 LEU 62 107.898 3.372 3.372 453 3HD2 LEU 62 2HD2 LEU 62 106.531 2.276 2.276 454 H LEU 63 H LEU 63 109.984 0.316 0.316 455 HA LEU 63 HA LEU 63 112.288 1.169 1.169 456 1HB LEU 63 2HB LEU 63 111.266 1.171 1.171 457 2HB LEU 63 1HB LEU 63 113.010 1.363 1.363 458 HG LEU 63 HG LEU 63 111.037 2.999 2.999 459 1HD1 LEU 63 1HD1 LEU 63 111.815 3.218 3.218 460 2HD1 LEU 63 3HD1 LEU 63 112.101 4.692 4.692 461 3HD1 LEU 63 2HD1 LEU 63 110.487 3.989 3.989 462 1HD2 LEU 63 3HD2 LEU 63 113.917 2.707 2.707 463 2HD2 LEU 63 2HD2 LEU 63 112.943 3.663 3.663 464 3HD2 LEU 63 1HD2 LEU 63 113.459 4.357 4.357 465 H LEU 64 H LEU 64 111.761 -1.501 -1.501 466 HA LEU 64 HA LEU 64 114.425 -2.447 -2.447 467 1HB LEU 64 2HB LEU 64 112.562 -3.130 -3.130 468 2HB LEU 64 1HB LEU 64 111.747 -3.869 -3.869 469 HG LEU 64 HG LEU 64 114.483 -4.852 -4.852 470 1HD1 LEU 64 3HD1 LEU 64 112.785 -4.606 -4.606 471 2HD1 LEU 64 2HD1 LEU 64 113.195 -6.285 -6.285 472 3HD1 LEU 64 1HD1 LEU 64 114.474 -5.094 -5.094 473 1HD2 LEU 64 3HD2 LEU 64 112.179 -5.683 -5.683 474 2HD2 LEU 64 2HD2 LEU 64 113.511 -6.762 -6.762 475 3HD2 LEU 64 1HD2 LEU 64 112.124 -6.627 -6.627 476 H LEU 65 H LEU 65 111.883 -4.005 -4.005 477 HA LEU 65 HA LEU 65 113.590 -5.664 -5.664 478 1HB LEU 65 2HB LEU 65 111.728 -5.855 -5.855 479 2HB LEU 65 1HB LEU 65 111.058 -5.635 -5.635 480 HG LEU 65 HG LEU 65 111.016 -3.103 -3.103 481 1HD1 LEU 65 3HD1 LEU 65 111.995 -4.295 -4.295 482 2HD1 LEU 65 2HD1 LEU 65 110.500 -3.399 -3.399 483 3HD1 LEU 65 1HD1 LEU 65 111.891 -2.594 -2.594 484 1HD2 LEU 65 1HD2 LEU 65 109.121 -5.009 -5.009 485 2HD2 LEU 65 3HD2 LEU 65 108.787 -3.356 -3.356 486 3HD2 LEU 65 2HD2 LEU 65 109.115 -4.604 -4.604 487 H HIS 66 H HIS 66 113.061 -2.232 -2.232 488 HA HIS 66 HA HIS 66 114.201 -1.934 -1.934 489 1HB HIS 66 2HB HIS 66 112.965 -0.386 -0.386 490 2HB HIS 66 1HB HIS 66 114.170 0.485 0.485 491 HD1 HIS 66 HD1 HIS 66 110.716 -0.696 -0.696 492 HD2 HIS 66 HD2 HIS 66 113.620 0.443 0.443 493 HE1 HIS 66 HE1 HIS 66 109.511 -0.329 -0.329 494 H GLY 67 H GLY 67 115.278 -1.403 -1.403 495 1HA GLY 67 2HA GLY 67 117.764 -2.170 -2.170 496 2HA GLY 67 1HA GLY 67 117.998 -0.875 -0.875 497 H ALA 68 H ALA 68 115.808 -0.868 -0.868 498 HA ALA 68 HA ALA 68 116.669 1.768 1.768 499 1HB ALA 68 2HB ALA 68 114.546 0.130 0.130 500 2HB ALA 68 1HB ALA 68 115.425 -0.071 -0.071 501 3HB ALA 68 3HB ALA 68 114.910 1.535 1.535 502 H GLU 69 H GLU 69 116.822 1.097 1.097 503 HA GLU 69 HA GLU 69 119.607 -0.007 -0.007 504 1HB GLU 69 2HB GLU 69 119.200 2.489 2.489 505 2HB GLU 69 1HB GLU 69 118.366 2.050 2.050 506 1HG GLU 69 2HG GLU 69 120.599 2.513 2.513 507 2HG GLU 69 1HG GLU 69 120.495 0.752 0.752 508 HA PRO 70 HA PRO 70 116.625 -2.321 -2.321 509 1HB PRO 70 2HB PRO 70 116.763 -4.760 -4.760 510 2HB PRO 70 1HB PRO 70 115.556 -3.533 -3.533 511 1HG PRO 70 2HG PRO 70 118.112 -4.236 -4.236 512 2HG PRO 70 1HG PRO 70 116.536 -3.827 -3.827 513 1HD PRO 70 2HD PRO 70 118.603 -2.069 -2.069 514 2HD PRO 70 1HD PRO 70 116.894 -1.575 -1.575 515 H ASN 71 H ASN 71 119.742 -2.980 -2.980 516 HA ASN 71 HA ASN 71 120.543 -4.743 -4.743 517 1HB ASN 71 2HB ASN 71 121.195 -4.378 -4.378 518 2HB ASN 71 1HB ASN 71 122.645 -4.459 -4.459 519 1HD2 ASN 71 1HD2 ASN 71 122.493 -6.615 -6.615 520 2HD2 ASN 71 2HD2 ASN 71 121.885 -7.977 -7.977 521 H CYS 72 H CYS 72 122.469 -2.392 -2.392 522 HA CYS 72 HA CYS 72 124.216 -1.589 -1.589 523 1HB CYS 72 2HB CYS 72 123.489 -0.841 -0.841 524 2HB CYS 72 1HB CYS 72 123.416 0.643 0.643 525 HG CYS 72 HG CYS 72 125.903 0.406 0.406 526 H ALA 73 H ALA 73 124.253 0.476 0.476 527 HA ALA 73 HA ALA 73 121.547 1.541 1.541 528 1HB ALA 73 2HB ALA 73 122.323 -0.395 -0.395 529 2HB ALA 73 1HB ALA 73 123.620 0.663 0.663 530 3HB ALA 73 3HB ALA 73 121.935 1.096 1.096 531 H ASP 74 H ASP 74 123.268 2.696 2.696 532 HA ASP 74 HA ASP 74 124.465 4.958 4.958 533 1HB ASP 74 2HB ASP 74 122.307 5.370 5.370 534 2HB ASP 74 1HB ASP 74 123.139 4.967 4.967 535 HA PRO 75 HA PRO 75 128.107 3.612 3.612 536 1HB PRO 75 2HB PRO 75 129.762 5.659 5.659 537 2HB PRO 75 1HB PRO 75 129.352 4.295 4.295 538 1HG PRO 75 2HG PRO 75 128.240 7.057 7.057 539 2HG PRO 75 1HG PRO 75 128.629 6.019 6.019 540 1HD PRO 75 2HD PRO 75 126.097 6.392 6.392 541 2HD PRO 75 1HD PRO 75 126.630 4.907 4.907 542 H ALA 76 H ALA 76 126.244 6.406 6.406 543 HA ALA 76 HA ALA 76 127.903 7.622 7.622 544 1HB ALA 76 3HB ALA 76 126.307 8.856 8.856 545 2HB ALA 76 2HB ALA 76 124.977 7.928 7.928 546 3HB ALA 76 1HB ALA 76 125.895 9.040 9.040 547 H THR 77 H THR 77 124.844 5.765 5.765 548 HA THR 77 HA THR 77 125.416 4.860 4.860 549 HB THR 77 HB THR 77 122.596 5.283 5.283 550 HG1 THR 77 HG1 THR 77 122.695 7.392 7.392 551 1HG2 THR 77 3HG2 THR 77 123.589 4.718 4.718 552 2HG2 THR 77 2HG2 THR 77 124.216 6.366 6.366 553 3HG2 THR 77 1HG2 THR 77 122.476 6.085 6.085 554 H LEU 78 H LEU 78 125.589 3.642 3.642 555 HA LEU 78 HA LEU 78 124.917 1.675 1.675 556 1HB LEU 78 2HB LEU 78 125.363 1.162 1.162 557 2HB LEU 78 1HB LEU 78 124.602 -0.144 -0.144 558 HG LEU 78 HG LEU 78 127.284 1.161 1.161 559 1HD1 LEU 78 1HD1 LEU 78 126.368 -1.622 -1.622 560 2HD1 LEU 78 3HD1 LEU 78 127.996 -1.272 -1.272 561 3HD1 LEU 78 2HD1 LEU 78 127.418 -0.544 -0.544 562 1HD2 LEU 78 1HD2 LEU 78 125.424 -0.263 -0.263 563 2HD2 LEU 78 3HD2 LEU 78 126.819 0.737 0.737 564 3HD2 LEU 78 2HD2 LEU 78 127.044 -0.956 -0.956 565 H THR 79 H THR 79 122.679 3.497 3.497 566 HA THR 79 HA THR 79 120.448 1.988 1.988 567 HB THR 79 HB THR 79 120.565 4.407 4.407 568 HG1 THR 79 HG1 THR 79 120.695 5.574 5.574 569 1HG2 THR 79 1HG2 THR 79 118.383 2.947 2.947 570 2HG2 THR 79 3HG2 THR 79 118.375 4.688 4.688 571 3HG2 THR 79 2HG2 THR 79 118.318 4.070 4.070 572 H ARG 80 H ARG 80 120.546 -0.038 -0.038 573 HA ARG 80 HA ARG 80 120.359 -0.088 -0.088 574 1HB ARG 80 2HB ARG 80 120.714 -1.861 -1.861 575 2HB ARG 80 1HB ARG 80 119.214 -2.381 -2.381 576 1HG ARG 80 2HG ARG 80 120.484 -3.422 -3.422 577 2HG ARG 80 1HG ARG 80 120.926 -1.823 -1.823 578 1HD ARG 80 2HD ARG 80 122.681 -1.975 -1.975 579 2HD ARG 80 1HD ARG 80 122.497 -3.708 -3.708 580 HE ARG 80 HE ARG 80 122.811 -2.126 -2.126 581 1HH1 ARG 80 1HH2 ARG 80 123.965 -4.762 -4.762 582 2HH1 ARG 80 2HH2 ARG 80 125.626 -4.561 -4.561 583 1HH2 ARG 80 2HH1 ARG 80 125.152 -1.418 -1.418 584 2HH2 ARG 80 1HH1 ARG 80 126.297 -2.672 -2.672 585 HA PRO 81 HA PRO 81 116.049 0.558 0.558 586 1HB PRO 81 2HB PRO 81 115.363 -1.307 -1.307 587 2HB PRO 81 1HB PRO 81 116.360 0.114 0.114 588 1HG PRO 81 2HG PRO 81 117.189 -2.701 -2.701 589 2HG PRO 81 1HG PRO 81 117.814 -1.523 -1.523 590 1HD PRO 81 2HD PRO 81 119.047 -2.158 -2.158 591 2HD PRO 81 1HD PRO 81 119.239 -0.593 -0.593 592 H VAL 82 H VAL 82 117.134 -2.259 -2.259 593 HA VAL 82 HA VAL 82 114.601 -3.693 -3.693 594 HB VAL 82 HB VAL 82 117.149 -3.864 -3.864 595 1HG1 VAL 82 2HG1 VAL 82 114.752 -5.640 -5.640 596 2HG1 VAL 82 1HG1 VAL 82 116.315 -6.338 -6.338 597 3HG1 VAL 82 3HG1 VAL 82 115.552 -5.169 -5.169 598 1HG2 VAL 82 1HG2 VAL 82 116.642 -4.442 -4.442 599 2HG2 VAL 82 3HG2 VAL 82 118.150 -4.587 -4.587 600 3HG2 VAL 82 2HG2 VAL 82 117.013 -5.934 -5.934 601 H HIS 83 H HIS 83 116.247 -1.190 -1.190 602 HA HIS 83 HA HIS 83 114.646 -1.489 -1.489 603 1HB HIS 83 2HB HIS 83 116.291 0.797 0.797 604 2HB HIS 83 1HB HIS 83 115.674 0.732 0.732 605 HD2 HIS 83 HD2 HIS 83 117.636 -0.272 -0.272 606 HE1 HIS 83 HE1 HIS 83 119.513 -2.874 -2.874 607 HE2 HIS 83 HE2 HIS 83 119.524 -2.003 -2.003 608 H ASP 84 H ASP 84 114.536 0.511 0.511 609 HA ASP 84 HA ASP 84 112.444 2.293 2.293 610 1HB ASP 84 2HB ASP 84 113.166 0.901 0.901 611 2HB ASP 84 1HB ASP 84 112.186 2.361 2.361 612 H ALA 85 H ALA 85 112.106 -0.848 -0.848 613 HA ALA 85 HA ALA 85 109.266 -0.894 -0.894 614 1HB ALA 85 1HB ALA 85 111.092 -2.396 -2.396 615 2HB ALA 85 3HB ALA 85 111.029 -3.303 -3.303 616 3HB ALA 85 2HB ALA 85 109.591 -3.182 -3.182 617 H ALA 86 H ALA 86 111.302 -2.737 -2.737 618 HA ALA 86 HA ALA 86 109.310 -3.517 -3.517 619 1HB ALA 86 2HB ALA 86 112.247 -2.923 -2.923 620 2HB ALA 86 1HB ALA 86 111.378 -3.353 -3.353 621 3HB ALA 86 3HB ALA 86 111.417 -4.476 -4.476 622 H ARG 87 H ARG 87 111.423 -0.630 -0.630 623 HA ARG 87 HA ARG 87 110.377 0.512 0.512 624 1HB ARG 87 2HB ARG 87 112.282 1.319 1.319 625 2HB ARG 87 1HB ARG 87 111.145 1.899 1.899 626 1HG ARG 87 2HG ARG 87 110.894 3.818 3.818 627 2HG ARG 87 1HG ARG 87 110.304 2.913 2.913 628 1HD ARG 87 2HD ARG 87 112.222 3.349 3.349 629 2HD ARG 87 1HD ARG 87 113.176 2.620 2.620 630 HE ARG 87 HE ARG 87 112.567 4.977 4.977 631 1HH1 ARG 87 1HH2 ARG 87 112.542 4.909 4.909 632 2HH1 ARG 87 2HH2 ARG 87 113.750 6.130 6.130 633 1HH2 ARG 87 2HH1 ARG 87 114.547 6.291 6.291 634 2HH2 ARG 87 1HH1 ARG 87 114.873 6.926 6.926 635 H GLU 88 H GLU 88 109.027 0.713 0.713 636 HA GLU 88 HA GLU 88 106.734 2.324 2.324 637 1HB GLU 88 2HB GLU 88 108.028 1.558 1.558 638 2HB GLU 88 1HB GLU 88 106.276 1.750 1.750 639 1HG GLU 88 2HG GLU 88 107.780 3.853 3.853 640 2HG GLU 88 1HG GLU 88 107.972 3.827 3.827 641 H GLY 89 H GLY 89 107.411 -0.785 -0.785 642 1HA GLY 89 2HA GLY 89 106.164 -2.760 -2.760 643 2HA GLY 89 1HA GLY 89 104.760 -1.699 -1.699 644 H PHE 90 H PHE 90 107.017 -2.526 -2.526 645 HA PHE 90 HA PHE 90 104.610 -3.106 -3.106 646 1HB PHE 90 2HB PHE 90 106.433 -0.974 -0.974 647 2HB PHE 90 1HB PHE 90 106.929 -2.059 -2.059 648 HD1 PHE 90 HD2 PHE 90 103.488 -1.494 -1.494 649 HD2 PHE 90 HD1 PHE 90 106.184 -0.967 -0.967 650 HE1 PHE 90 HE2 PHE 90 101.611 -0.682 -0.682 651 HE2 PHE 90 HE1 PHE 90 104.313 -0.153 -0.153 652 HZ PHE 90 HZ PHE 90 102.024 -0.014 -0.014 653 H LEU 91 H LEU 91 104.934 -5.408 -5.408 654 HA LEU 91 HA LEU 91 107.484 -6.689 -6.689 655 1HB LEU 91 2HB LEU 91 105.029 -7.337 -7.337 656 2HB LEU 91 1HB LEU 91 105.053 -8.284 -8.284 657 HG LEU 91 HG LEU 91 107.449 -8.223 -8.223 658 1HD1 LEU 91 2HD1 LEU 91 105.068 -10.089 -10.089 659 2HD1 LEU 91 1HD1 LEU 91 106.570 -10.268 -10.268 660 3HD1 LEU 91 3HD1 LEU 91 105.517 -8.885 -8.885 661 1HD2 LEU 91 3HD2 LEU 91 106.707 -9.519 -9.519 662 2HD2 LEU 91 2HD2 LEU 91 108.246 -9.585 -9.585 663 3HD2 LEU 91 1HD2 LEU 91 106.971 -10.743 -10.743 664 H ASP 92 H ASP 92 104.564 -5.923 -5.923 665 HA ASP 92 HA ASP 92 104.853 -7.430 -7.430 666 1HB ASP 92 2HB ASP 92 104.117 -4.501 -4.501 667 2HB ASP 92 1HB ASP 92 103.753 -5.466 -5.466 668 H THR 93 H THR 93 106.436 -4.304 -4.304 669 HA THR 93 HA THR 93 107.993 -4.169 -4.169 670 HB THR 93 HB THR 93 108.118 -2.990 -2.990 671 HG1 THR 93 HG1 THR 93 106.608 -2.186 -2.186 672 1HG2 THR 93 2HG2 THR 93 110.465 -3.253 -3.253 673 2HG2 THR 93 1HG2 THR 93 110.048 -2.364 -2.364 674 3HG2 THR 93 3HG2 THR 93 109.979 -1.563 -1.563 675 H LEU 94 H LEU 94 108.629 -5.488 -5.488 676 HA LEU 94 HA LEU 94 111.333 -6.239 -6.239 677 1HB LEU 94 2HB LEU 94 109.121 -6.656 -6.656 678 2HB LEU 94 1HB LEU 94 109.690 -8.270 -8.270 679 HG LEU 94 HG LEU 94 111.979 -7.632 -7.632 680 1HD1 LEU 94 1HD1 LEU 94 111.173 -5.059 -5.059 681 2HD1 LEU 94 3HD1 LEU 94 111.040 -5.172 -5.172 682 3HD1 LEU 94 2HD1 LEU 94 112.581 -5.503 -5.503 683 1HD2 LEU 94 1HD2 LEU 94 109.630 -7.675 -7.675 684 2HD2 LEU 94 3HD2 LEU 94 111.139 -8.580 -8.580 685 3HD2 LEU 94 2HD2 LEU 94 111.053 -6.931 -6.931 686 H VAL 95 H VAL 95 108.476 -8.275 -8.275 687 HA VAL 95 HA VAL 95 109.730 -10.545 -10.545 688 HB VAL 95 HB VAL 95 107.216 -9.077 -9.077 689 1HG1 VAL 95 1HG1 VAL 95 108.302 -10.973 -10.973 690 2HG1 VAL 95 3HG1 VAL 95 107.585 -12.034 -12.034 691 3HG1 VAL 95 2HG1 VAL 95 106.562 -10.932 -10.932 692 1HG2 VAL 95 2HG2 VAL 95 107.457 -9.814 -9.814 693 2HG2 VAL 95 1HG2 VAL 95 106.081 -10.507 -10.507 694 3HG2 VAL 95 3HG2 VAL 95 107.534 -11.471 -11.471 695 H VAL 96 H VAL 96 108.858 -7.538 -7.538 696 HA VAL 96 HA VAL 96 109.801 -8.244 -8.244 697 HB VAL 96 HB VAL 96 109.822 -5.560 -5.560 698 1HG1 VAL 96 3HG1 VAL 96 110.266 -6.428 -6.428 699 2HG1 VAL 96 2HG1 VAL 96 109.203 -5.037 -5.037 700 3HG1 VAL 96 1HG1 VAL 96 110.850 -4.992 -4.992 701 1HG2 VAL 96 3HG2 VAL 96 107.625 -7.044 -7.044 702 2HG2 VAL 96 2HG2 VAL 96 107.563 -5.314 -5.314 703 3HG2 VAL 96 1HG2 VAL 96 107.627 -6.469 -6.469 704 H LEU 97 H LEU 97 111.467 -6.418 -6.418 705 HA LEU 97 HA LEU 97 113.993 -6.059 -6.059 706 1HB LEU 97 2HB LEU 97 112.784 -6.290 -6.290 707 2HB LEU 97 1HB LEU 97 114.500 -6.690 -6.690 708 HG LEU 97 HG LEU 97 114.486 -4.460 -4.460 709 1HD1 LEU 97 1HD1 LEU 97 112.242 -4.214 -4.214 710 2HD1 LEU 97 3HD1 LEU 97 113.059 -2.810 -2.810 711 3HD1 LEU 97 2HD1 LEU 97 112.176 -3.918 -3.918 712 1HD2 LEU 97 2HD2 LEU 97 115.266 -5.192 -5.192 713 2HD2 LEU 97 1HD2 LEU 97 115.995 -3.996 -3.996 714 3HD2 LEU 97 3HD2 LEU 97 114.681 -3.527 -3.527 715 H HIS 98 H HIS 98 112.958 -8.866 -8.866 716 HA HIS 98 HA HIS 98 115.367 -10.398 -10.398 717 1HB HIS 98 2HB HIS 98 113.653 -10.460 -10.460 718 2HB HIS 98 1HB HIS 98 112.700 -11.490 -11.490 719 HD1 HIS 98 HD1 HIS 98 113.633 -12.892 -12.892 720 HD2 HIS 98 HD2 HIS 98 116.068 -12.592 -12.592 721 HE1 HIS 98 HE1 HIS 98 115.326 -14.767 -14.767 722 H ARG 99 H ARG 99 112.309 -9.926 -9.926 723 HA ARG 99 HA ARG 99 112.144 -12.358 -12.358 724 1HB ARG 99 2HB ARG 99 110.364 -10.618 -10.618 725 2HB ARG 99 1HB ARG 99 111.259 -9.558 -9.558 726 1HG ARG 99 2HG ARG 99 111.050 -11.213 -11.213 727 2HG ARG 99 1HG ARG 99 110.178 -12.295 -12.295 728 1HD ARG 99 2HD ARG 99 108.283 -11.268 -11.268 729 2HD ARG 99 1HD ARG 99 108.802 -9.864 -9.864 730 HE ARG 99 HE ARG 99 110.275 -9.666 -9.666 731 1HH1 ARG 99 2HH1 ARG 99 107.204 -8.934 -8.934 732 2HH1 ARG 99 1HH1 ARG 99 106.529 -8.489 -8.489 733 1HH2 ARG 99 1HH2 ARG 99 109.291 -9.518 -9.518 734 2HH2 ARG 99 2HH2 ARG 99 107.708 -8.819 -8.819 735 H ALA 100 H ALA 100 114.288 -9.674 -9.674 736 HA ALA 100 HA ALA 100 115.270 -10.755 -10.755 737 1HB ALA 100 3HB ALA 100 114.012 -8.268 -8.268 738 2HB ALA 100 2HB ALA 100 115.693 -7.938 -7.938 739 3HB ALA 100 1HB ALA 100 114.651 -8.809 -8.809 740 H GLY 101 H GLY 101 116.388 -8.028 -8.028 741 1HA GLY 101 2HA GLY 101 118.699 -9.562 -9.562 742 2HA GLY 101 1HA GLY 101 119.086 -8.299 -8.299 743 H ALA 102 H ALA 102 118.251 -8.959 -8.959 744 HA ALA 102 HA ALA 102 118.719 -6.111 -6.111 745 1HB ALA 102 1HB ALA 102 116.215 -7.681 -7.681 746 2HB ALA 102 3HB ALA 102 116.596 -6.080 -6.080 747 3HB ALA 102 2HB ALA 102 116.312 -6.302 -6.302 748 H ARG 103 H ARG 103 120.584 -6.821 -6.821 749 HA ARG 103 HA ARG 103 120.801 -9.017 -9.017 750 1HB ARG 103 2HB ARG 103 122.604 -7.500 -7.500 751 2HB ARG 103 1HB ARG 103 122.044 -6.259 -6.259 752 1HG ARG 103 2HG ARG 103 123.387 -7.167 -7.167 753 2HG ARG 103 1HG ARG 103 122.332 -8.580 -8.580 754 1HD ARG 103 2HD ARG 103 123.780 -9.824 -9.824 755 2HD ARG 103 1HD ARG 103 124.350 -8.410 -8.410 756 HE ARG 103 HE ARG 103 125.184 -7.981 -7.981 757 1HH1 ARG 103 1HH2 ARG 103 125.306 -10.966 -10.966 758 2HH1 ARG 103 2HH2 ARG 103 127.022 -11.154 -11.154 759 1HH2 ARG 103 2HH1 ARG 103 127.543 -7.961 -7.961 760 2HH2 ARG 103 1HH1 ARG 103 128.286 -9.456 -9.456 761 H LEU 104 H LEU 104 119.267 -9.380 -9.380 762 HA LEU 104 HA LEU 104 118.252 -7.083 -7.083 763 1HB LEU 104 2HB LEU 104 117.459 -9.993 -9.993 764 2HB LEU 104 1HB LEU 104 116.649 -8.881 -8.881 765 HG LEU 104 HG LEU 104 116.936 -7.787 -7.787 766 1HD1 LEU 104 2HD1 LEU 104 116.511 -10.457 -10.457 767 2HD1 LEU 104 1HD1 LEU 104 114.850 -9.898 -9.898 768 3HD1 LEU 104 3HD1 LEU 104 115.804 -9.332 -9.332 769 1HD2 LEU 104 2HD2 LEU 104 115.125 -7.732 -7.732 770 2HD2 LEU 104 1HD2 LEU 104 115.216 -6.624 -6.624 771 3HD2 LEU 104 3HD2 LEU 104 114.226 -8.077 -8.077 772 H ASP 105 H ASP 105 121.016 -8.146 -8.146 773 HA ASP 105 HA ASP 105 120.784 -8.935 -8.935 774 1HB ASP 105 2HB ASP 105 122.981 -10.289 -10.289 775 2HB ASP 105 1HB ASP 105 121.376 -10.983 -10.983 776 H VAL 106 H VAL 106 121.221 -6.285 -6.285 777 HA VAL 106 HA VAL 106 124.150 -5.862 -5.862 778 HB VAL 106 HB VAL 106 122.958 -5.094 -5.094 779 1HG1 VAL 106 3HG1 VAL 106 121.104 -4.103 -4.103 780 2HG1 VAL 106 2HG1 VAL 106 121.920 -2.674 -2.674 781 3HG1 VAL 106 1HG1 VAL 106 121.129 -3.801 -3.801 782 1HG2 VAL 106 2HG2 VAL 106 125.069 -4.056 -4.056 783 2HG2 VAL 106 1HG2 VAL 106 124.322 -3.230 -3.230 784 3HG2 VAL 106 3HG2 VAL 106 123.985 -2.692 -2.692 785 H ARG 107 H ARG 107 124.385 -3.488 -3.488 786 HA ARG 107 HA ARG 107 122.537 -3.369 -3.369 787 1HB ARG 107 2HB ARG 107 125.529 -2.941 -2.941 788 2HB ARG 107 1HB ARG 107 124.617 -2.569 -2.569 789 1HG ARG 107 2HG ARG 107 124.406 -4.758 -4.758 790 2HG ARG 107 1HG ARG 107 124.113 -5.264 -5.264 791 1HD ARG 107 2HD ARG 107 126.275 -6.159 -6.159 792 2HD ARG 107 1HD ARG 107 126.522 -5.132 -5.132 793 HE ARG 107 HE ARG 107 127.020 -3.253 -3.253 794 1HH1 ARG 107 2HH1 ARG 107 126.046 -5.323 -5.323 795 2HH1 ARG 107 1HH1 ARG 107 127.552 -5.541 -5.541 796 1HH2 ARG 107 1HH2 ARG 107 129.437 -4.038 -4.038 797 2HH2 ARG 107 2HH2 ARG 107 129.474 -4.810 -4.810 798 H ASP 108 H ASP 108 123.066 -1.044 -1.044 799 HA ASP 108 HA ASP 108 122.592 0.982 0.982 800 1HB ASP 108 2HB ASP 108 121.556 2.247 2.247 801 2HB ASP 108 1HB ASP 108 120.854 0.637 0.637 802 H ALA 109 H ALA 109 125.281 0.045 0.045 803 HA ALA 109 HA ALA 109 127.418 0.996 0.996 804 1HB ALA 109 3HB ALA 109 125.807 2.987 2.987 805 2HB ALA 109 2HB ALA 109 126.361 3.699 3.699 806 3HB ALA 109 1HB ALA 109 127.532 3.177 3.177 807 H TRP 110 H TRP 110 125.136 0.719 0.719 808 HA TRP 110 HA TRP 110 127.031 1.731 1.731 809 1HB TRP 110 2HB TRP 110 124.030 1.786 1.786 810 2HB TRP 110 1HB TRP 110 124.797 1.896 1.896 811 HD1 TRP 110 HD1 TRP 110 127.113 3.765 3.765 812 HE1 TRP 110 HE1 TRP 110 126.867 6.204 6.204 813 HE3 TRP 110 HE3 TRP 110 122.644 3.433 3.433 814 HZ2 TRP 110 HZ2 TRP 110 125.005 7.804 7.804 815 HZ3 TRP 110 HZ3 TRP 110 121.656 5.418 5.418 816 HH2 TRP 110 HH2 TRP 110 122.827 7.598 7.598 817 H GLY 111 H GLY 111 124.254 -0.501 -0.501 818 1HA GLY 111 2HA GLY 111 125.533 -2.901 -2.901 819 2HA GLY 111 1HA GLY 111 125.094 -2.222 -2.222 820 H ARG 112 H ARG 112 122.699 -0.881 -0.881 821 HA ARG 112 HA ARG 112 120.746 -2.895 -2.895 822 1HB ARG 112 2HB ARG 112 120.703 -0.269 -0.269 823 2HB ARG 112 1HB ARG 112 120.232 -0.452 -0.452 824 1HG ARG 112 2HG ARG 112 118.149 -1.142 -1.142 825 2HG ARG 112 1HG ARG 112 118.754 -2.252 -2.252 826 1HD ARG 112 2HD ARG 112 118.821 0.703 0.703 827 2HD ARG 112 1HD ARG 112 117.298 -0.188 -0.188 828 HE ARG 112 HE ARG 112 119.828 -0.871 -0.871 829 1HH1 ARG 112 2HH1 ARG 112 117.352 0.365 0.365 830 2HH1 ARG 112 1HH1 ARG 112 116.629 -1.033 -1.033 831 1HH2 ARG 112 1HH2 ARG 112 118.492 -3.287 -3.287 832 2HH2 ARG 112 2HH2 ARG 112 117.273 -3.102 -3.102 833 H LEU 113 H LEU 113 119.065 -3.602 -3.602 834 HA LEU 113 HA LEU 113 120.156 -4.002 -4.002 835 1HB LEU 113 2HB LEU 113 118.900 -5.897 -5.897 836 2HB LEU 113 1HB LEU 113 118.940 -6.277 -6.277 837 HG LEU 113 HG LEU 113 121.370 -5.634 -5.634 838 1HD1 LEU 113 2HD1 LEU 113 120.151 -8.225 -8.225 839 2HD1 LEU 113 1HD1 LEU 113 121.856 -8.106 -8.106 840 3HD1 LEU 113 3HD1 LEU 113 120.608 -7.780 -7.780 841 1HD2 LEU 113 3HD2 LEU 113 120.917 -6.265 -6.265 842 2HD2 LEU 113 2HD2 LEU 113 121.953 -5.031 -5.031 843 3HD2 LEU 113 1HD2 LEU 113 122.435 -6.727 -6.727 844 HA PRO 114 HA PRO 114 116.169 -2.753 -2.753 845 1HB PRO 114 2HB PRO 114 115.506 -4.596 -4.596 846 2HB PRO 114 1HB PRO 114 116.724 -3.332 -3.332 847 1HG PRO 114 2HG PRO 114 117.100 -6.207 -6.207 848 2HG PRO 114 1HG PRO 114 118.019 -5.187 -5.187 849 1HD PRO 114 2HD PRO 114 118.908 -5.797 -5.797 850 2HD PRO 114 1HD PRO 114 119.293 -4.260 -4.260 851 H VAL 115 H VAL 115 116.624 -5.867 -5.867 852 HA VAL 115 HA VAL 115 113.739 -6.487 -6.487 853 HB VAL 115 HB VAL 115 115.689 -8.116 -8.116 854 1HG1 VAL 115 3HG1 VAL 115 117.138 -7.260 -7.260 855 2HG1 VAL 115 2HG1 VAL 115 115.938 -7.782 -7.782 856 3HG1 VAL 115 1HG1 VAL 115 116.784 -8.978 -8.978 857 1HG2 VAL 115 1HG2 VAL 115 113.528 -8.489 -8.489 858 2HG2 VAL 115 3HG2 VAL 115 113.562 -9.057 -9.057 859 3HG2 VAL 115 2HG2 VAL 115 114.596 -9.815 -9.815 860 H ASP 116 H ASP 116 116.370 -5.543 -5.543 861 HA ASP 116 HA ASP 116 114.987 -5.750 -5.750 862 1HB ASP 116 2HB ASP 116 117.345 -4.430 -4.430 863 2HB ASP 116 1HB ASP 116 116.643 -3.521 -3.521 864 H LEU 117 H LEU 117 115.121 -3.024 -3.024 865 HA LEU 117 HA LEU 117 113.669 -1.107 -1.107 866 1HB LEU 117 2HB LEU 117 114.127 -1.748 -1.748 867 2HB LEU 117 1HB LEU 117 112.989 -0.465 -0.465 868 HG LEU 117 HG LEU 117 115.401 -0.221 -0.221 869 1HD1 LEU 117 2HD1 LEU 117 116.025 -1.337 -1.337 870 2HD1 LEU 117 1HD1 LEU 117 116.065 0.376 0.376 871 3HD1 LEU 117 3HD1 LEU 117 117.091 -0.241 -0.241 872 1HD2 LEU 117 1HD2 LEU 117 113.463 1.401 1.401 873 2HD2 LEU 117 3HD2 LEU 117 114.811 1.939 1.939 874 3HD2 LEU 117 2HD2 LEU 117 114.998 1.835 1.835 875 H ALA 118 H ALA 118 112.346 -3.419 -3.419 876 HA ALA 118 HA ALA 118 109.616 -2.774 -2.774 877 1HB ALA 118 1HB ALA 118 111.137 -5.306 -5.306 878 2HB ALA 118 3HB ALA 118 109.374 -5.285 -5.285 879 3HB ALA 118 2HB ALA 118 110.275 -4.244 -4.244 880 H GLU 119 H GLU 119 111.361 -5.360 -5.360 881 HA GLU 119 HA GLU 119 109.313 -6.254 -6.254 882 1HB GLU 119 2HB GLU 119 112.274 -5.797 -5.797 883 2HB GLU 119 1HB GLU 119 111.265 -6.685 -6.685 884 1HG GLU 119 2HG GLU 119 110.740 -8.362 -8.362 885 2HG GLU 119 1HG GLU 119 111.436 -7.402 -7.402 886 H GLU 120 H GLU 120 111.177 -3.274 -3.274 887 HA GLU 120 HA GLU 120 110.128 -2.533 -2.533 888 1HB GLU 120 2HB GLU 120 111.722 -1.009 -1.009 889 2HB GLU 120 1HB GLU 120 111.495 -0.516 -0.516 890 1HG GLU 120 2HG GLU 120 112.716 -3.179 -3.179 891 2HG GLU 120 1HG GLU 120 113.691 -1.724 -1.724 892 H LEU 121 H LEU 121 109.978 -1.042 -1.042 893 HA LEU 121 HA LEU 121 107.933 0.836 0.836 894 1HB LEU 121 2HB LEU 121 108.937 -0.681 -0.681 895 2HB LEU 121 1HB LEU 121 107.529 0.362 0.362 896 HG LEU 121 HG LEU 121 109.603 1.724 1.724 897 1HD1 LEU 121 2HD1 LEU 121 110.349 0.606 0.606 898 2HD1 LEU 121 1HD1 LEU 121 111.208 1.930 1.930 899 3HD1 LEU 121 3HD1 LEU 121 111.187 0.326 0.326 900 1HD2 LEU 121 3HD2 LEU 121 107.742 2.161 2.161 901 2HD2 LEU 121 2HD2 LEU 121 108.323 3.300 3.300 902 3HD2 LEU 121 1HD2 LEU 121 109.282 2.986 2.986 903 H GLY 122 H GLY 122 107.075 -1.777 -1.777 904 1HA GLY 122 2HA GLY 122 105.276 -3.239 -3.239 905 2HA GLY 122 1HA GLY 122 104.367 -1.881 -1.881 906 H HIS 123 H HIS 123 107.016 -3.355 -3.355 907 HA HIS 123 HA HIS 123 105.045 -4.170 -4.170 908 1HB HIS 123 2HB HIS 123 108.063 -4.198 -4.198 909 2HB HIS 123 1HB HIS 123 106.881 -3.971 -3.971 910 HD1 HIS 123 HD1 HIS 123 105.165 -1.735 -1.735 911 HD2 HIS 123 HD2 HIS 123 109.265 -1.738 -1.738 912 HE1 HIS 123 HE1 HIS 123 105.817 0.674 0.674 913 H ARG 124 H ARG 124 105.015 -5.828 -5.828 914 HA ARG 124 HA ARG 124 106.738 -7.991 -7.991 915 1HB ARG 124 2HB ARG 124 104.165 -7.289 -7.289 916 2HB ARG 124 1HB ARG 124 103.910 -8.778 -8.778 917 1HG ARG 124 2HG ARG 124 106.072 -9.505 -9.505 918 2HG ARG 124 1HG ARG 124 105.340 -8.350 -8.350 919 1HD ARG 124 2HD ARG 124 103.898 -10.715 -10.715 920 2HD ARG 124 1HD ARG 124 104.452 -10.621 -10.621 921 HE ARG 124 HE ARG 124 102.802 -8.343 -8.343 922 1HH1 ARG 124 1HH2 ARG 124 102.148 -11.628 -11.628 923 2HH1 ARG 124 2HH2 ARG 124 100.926 -11.495 -11.495 924 1HH2 ARG 124 2HH1 ARG 124 101.529 -8.139 -8.139 925 2HH2 ARG 124 1HH1 ARG 124 100.590 -9.531 -9.531 926 H ASP 125 H ASP 125 104.227 -7.528 -7.528 927 HA ASP 125 HA ASP 125 104.502 -10.043 -10.043 928 1HB ASP 125 2HB ASP 125 103.508 -8.706 -8.706 929 2HB ASP 125 1HB ASP 125 102.613 -8.601 -8.601 930 H VAL 126 H VAL 126 106.091 -6.875 -6.875 931 HA VAL 126 HA VAL 126 107.750 -7.968 -7.968 932 HB VAL 126 HB VAL 126 108.302 -5.415 -5.415 933 1HG1 VAL 126 2HG1 VAL 126 108.832 -6.563 -6.563 934 2HG1 VAL 126 1HG1 VAL 126 108.622 -4.820 -4.820 935 3HG1 VAL 126 3HG1 VAL 126 109.894 -5.624 -5.624 936 1HG2 VAL 126 1HG2 VAL 126 106.028 -6.033 -6.033 937 2HG2 VAL 126 3HG2 VAL 126 105.974 -5.162 -5.162 938 3HG2 VAL 126 2HG2 VAL 126 106.696 -4.406 -4.406 939 H ALA 127 H ALA 127 108.230 -7.166 -7.166 940 HA ALA 127 HA ALA 127 111.001 -7.582 -7.582 941 1HB ALA 127 3HB ALA 127 108.825 -7.135 -7.135 942 2HB ALA 127 2HB ALA 127 109.345 -8.744 -8.744 943 3HB ALA 127 1HB ALA 127 110.475 -7.392 -7.392 944 H ARG 128 H ARG 128 108.510 -10.052 -10.052 945 HA ARG 128 HA ARG 128 110.100 -12.311 -12.311 946 1HB ARG 128 2HB ARG 128 107.391 -11.852 -11.852 947 2HB ARG 128 1HB ARG 128 108.028 -13.476 -13.476 948 1HG ARG 128 2HG ARG 128 108.425 -12.752 -12.752 949 2HG ARG 128 1HG ARG 128 107.385 -11.374 -11.374 950 1HD ARG 128 2HD ARG 128 105.490 -12.706 -12.706 951 2HD ARG 128 1HD ARG 128 106.442 -14.143 -14.143 952 HE ARG 128 HE ARG 128 107.268 -13.927 -13.927 953 1HH1 ARG 128 2HH1 ARG 128 104.363 -14.920 -14.920 954 2HH1 ARG 128 1HH1 ARG 128 103.449 -14.423 -14.423 955 1HH2 ARG 128 1HH2 ARG 128 106.002 -12.492 -12.492 956 2HH2 ARG 128 2HH2 ARG 128 104.375 -13.049 -13.049 957 H TYR 129 H TYR 129 108.532 -11.479 -11.479 958 HA TYR 129 HA TYR 129 109.899 -13.369 -13.369 959 1HB TYR 129 2HB TYR 129 107.912 -12.038 -12.038 960 2HB TYR 129 1HB TYR 129 108.906 -10.582 -10.582 961 HD1 TYR 129 HD2 TYR 129 110.981 -10.611 -10.611 962 HD2 TYR 129 HD1 TYR 129 107.714 -13.386 -13.386 963 HE1 TYR 129 HE2 TYR 129 111.634 -11.126 -11.126 964 HE2 TYR 129 HE1 TYR 129 108.369 -13.900 -13.900 965 HH TYR 129 HH TYR 129 110.410 -12.011 -12.011 966 H LEU 130 H LEU 130 110.627 -9.862 -9.862 967 HA LEU 130 HA LEU 130 113.074 -9.982 -9.982 968 1HB LEU 130 2HB LEU 130 113.041 -7.745 -7.745 969 2HB LEU 130 1HB LEU 130 111.453 -8.080 -8.080 970 HG LEU 130 HG LEU 130 112.856 -8.587 -8.587 971 1HD1 LEU 130 1HD1 LEU 130 114.801 -7.505 -7.505 972 2HD1 LEU 130 3HD1 LEU 130 114.612 -6.418 -6.418 973 3HD1 LEU 130 2HD1 LEU 130 115.049 -8.106 -8.106 974 1HD2 LEU 130 1HD2 LEU 130 111.159 -6.686 -6.686 975 2HD2 LEU 130 3HD2 LEU 130 112.227 -6.460 -6.460 976 3HD2 LEU 130 2HD2 LEU 130 112.610 -5.692 -5.692 977 H ARG 131 H ARG 131 112.379 -11.008 -11.008 978 HA ARG 131 HA ARG 131 115.103 -10.836 -10.836 979 1HB ARG 131 2HB ARG 131 112.971 -10.903 -10.903 980 2HB ARG 131 1HB ARG 131 112.787 -12.590 -12.590 981 1HG ARG 131 2HG ARG 131 115.389 -11.710 -11.710 982 2HG ARG 131 1HG ARG 131 114.012 -11.965 -11.965 983 1HD ARG 131 2HD ARG 131 113.744 -14.243 -14.243 984 2HD ARG 131 1HD ARG 131 115.418 -13.972 -13.972 985 HE ARG 131 HE ARG 131 116.089 -13.890 -13.890 986 1HH1 ARG 131 2HH1 ARG 131 114.150 -16.333 -16.333 987 2HH1 ARG 131 1HH1 ARG 131 113.298 -16.354 -16.354 988 1HH2 ARG 131 1HH2 ARG 131 114.412 -13.224 -13.224 989 2HH2 ARG 131 2HH2 ARG 131 113.444 -14.596 -14.596 990 H ALA 132 H ALA 132 113.096 -13.402 -13.402 991 HA ALA 132 HA ALA 132 114.911 -15.579 -15.579 992 1HB ALA 132 2HB ALA 132 112.828 -14.911 -14.911 993 2HB ALA 132 1HB ALA 132 113.585 -16.495 -16.495 994 3HB ALA 132 3HB ALA 132 112.585 -15.867 -15.867 995 H ALA 133 H ALA 133 114.655 -13.060 -13.060 996 HA ALA 133 HA ALA 133 116.861 -14.189 -14.189 997 1HB ALA 133 1HB ALA 133 114.572 -12.671 -12.671 998 2HB ALA 133 3HB ALA 133 115.883 -11.503 -11.503 999 3HB ALA 133 2HB ALA 133 115.863 -12.959 -12.959 1000 H ALA 134 H ALA 134 116.414 -11.967 -11.967 1001 HA ALA 134 HA ALA 134 119.097 -10.732 -10.732 1002 1HB ALA 134 1HB ALA 134 116.968 -9.330 -9.330 1003 2HB ALA 134 3HB ALA 134 116.908 -9.808 -9.808 1004 3HB ALA 134 2HB ALA 134 118.274 -8.871 -8.871 1005 H GLY 135 H GLY 135 118.490 -13.413 -13.413 1006 1HA GLY 135 2HA GLY 135 120.243 -13.064 -13.064 1007 2HA GLY 135 1HA GLY 135 118.601 -13.550 -13.550 1008 H GLY 136 H GLY 136 118.051 -15.687 -15.687 1009 1HA GLY 136 2HA GLY 136 118.221 -17.958 -17.958 1010 2HA GLY 136 1HA GLY 136 119.392 -17.500 -17.500 1011 H THR 137 H THR 137 121.587 -16.753 -16.753 1012 HA THR 137 HA THR 137 122.767 -18.932 -18.932 1013 HB THR 137 HB THR 137 124.717 -17.488 -17.488 1014 HG1 THR 137 HG1 THR 137 124.350 -15.517 -15.517 1015 1HG2 THR 137 1HG2 THR 137 123.676 -18.230 -18.230 1016 2HG2 THR 137 3HG2 THR 137 123.267 -16.524 -16.524 1017 3HG2 THR 137 2HG2 THR 137 124.952 -17.011 -17.011 1018 H ARG 138 H ARG 138 122.211 -19.482 -19.482 1019 HA ARG 138 HA ARG 138 121.527 -17.324 -17.324 1020 1HB ARG 138 2HB ARG 138 120.456 -19.808 -19.808 1021 2HB ARG 138 1HB ARG 138 121.349 -20.128 -20.128 1022 1HG ARG 138 2HG ARG 138 119.949 -17.627 -17.627 1023 2HG ARG 138 1HG ARG 138 118.815 -18.867 -18.867 1024 1HD ARG 138 2HD ARG 138 120.334 -20.172 -20.172 1025 2HD ARG 138 1HD ARG 138 120.077 -18.547 -18.547 1026 HE ARG 138 HE ARG 138 118.047 -20.507 -20.507 1027 1HH1 ARG 138 2HH1 ARG 138 118.425 -17.239 -17.239 1028 2HH1 ARG 138 1HH1 ARG 138 116.857 -16.781 -16.781 1029 1HH2 ARG 138 1HH2 ARG 138 116.094 -19.926 -19.926 1030 2HH2 ARG 138 2HH2 ARG 138 115.537 -18.300 -18.300 1031 H GLY 139 H GLY 139 123.967 -16.789 -16.789 1032 1HA GLY 139 2HA GLY 139 125.890 -16.698 -16.698 1033 2HA GLY 139 1HA GLY 139 125.211 -17.998 -17.998 1034 H SER 140 H SER 140 127.009 -19.349 -19.349 1035 HA SER 140 HA SER 140 128.554 -20.949 -20.949 1036 1HB SER 140 2HB SER 140 126.131 -21.017 -21.017 1037 2HB SER 140 1HB SER 140 127.545 -21.661 -21.661 1038 HG SER 140 HG SER 140 127.505 -23.318 -23.318 1039 H ASN 141 H ASN 141 129.861 -21.477 -21.477 1040 HA ASN 141 HA ASN 141 130.568 -18.872 -18.872 1041 1HB ASN 141 2HB ASN 141 132.025 -20.179 -20.179 1042 2HB ASN 141 1HB ASN 141 132.744 -20.809 -20.809 1043 1HD2 ASN 141 1HD2 ASN 141 134.601 -19.585 -19.585 1044 2HD2 ASN 141 2HD2 ASN 141 134.677 -17.890 -17.890 1045 H HIS 142 H HIS 142 130.816 -22.432 -22.432 1046 HA HIS 142 HA HIS 142 130.594 -22.235 -22.235 1047 1HB HIS 142 2HB HIS 142 132.967 -22.598 -22.598 1048 2HB HIS 142 1HB HIS 142 132.400 -24.264 -24.264 1049 HD1 HIS 142 HD1 HIS 142 134.015 -25.132 -25.132 1050 HD2 HIS 142 HD2 HIS 142 131.492 -22.092 -22.092 1051 HE1 HIS 142 HE1 HIS 142 134.234 -25.071 -25.071 1052 H ALA 143 H ALA 143 130.564 -24.865 -24.865 1053 HA ALA 143 HA ALA 143 129.028 -26.667 -26.667 1054 1HB ALA 143 3HB ALA 143 130.396 -26.472 -26.472 1055 2HB ALA 143 2HB ALA 143 128.833 -27.265 -27.265 1056 3HB ALA 143 1HB ALA 143 130.009 -27.911 -27.911 1057 H ARG 144 H ARG 144 127.444 -24.622 -24.622 1058 HA ARG 144 HA ARG 144 125.575 -23.818 -23.818 1059 1HB ARG 144 2HB ARG 144 125.940 -23.740 -23.740 1060 2HB ARG 144 1HB ARG 144 124.238 -23.956 -23.956 1061 1HG ARG 144 2HG ARG 144 124.129 -21.941 -21.941 1062 2HG ARG 144 1HG ARG 144 125.874 -21.888 -21.888 1063 1HD ARG 144 2HD ARG 144 124.815 -21.777 -21.777 1064 2HD ARG 144 1HD ARG 144 124.824 -20.307 -20.307 1065 HE ARG 144 HE ARG 144 127.349 -21.552 -21.552 1066 1HH1 ARG 144 1HH2 ARG 144 125.537 -20.619 -20.619 1067 2HH1 ARG 144 2HH2 ARG 144 126.864 -19.808 -19.808 1068 1HH2 ARG 144 2HH1 ARG 144 129.028 -20.267 -20.267 1069 2HH2 ARG 144 1HH1 ARG 144 128.839 -19.609 -19.609 1070 H ILE 145 H ILE 145 123.166 -24.478 -24.478 1071 HA ILE 145 HA ILE 145 122.955 -27.354 -27.354 1072 HB ILE 145 HB ILE 145 121.795 -25.624 -25.624 1073 1HG1 ILE 145 2HG1 ILE 145 119.386 -26.583 -26.583 1074 2HG1 ILE 145 1HG1 ILE 145 120.188 -27.647 -27.647 1075 1HG2 ILE 145 3HG2 ILE 145 121.288 -24.456 -24.456 1076 2HG2 ILE 145 2HG2 ILE 145 119.708 -25.047 -25.047 1077 3HG2 ILE 145 1HG2 ILE 145 120.614 -23.940 -23.940 1078 1HD1 ILE 145 3HD1 ILE 145 121.337 -27.322 -27.322 1079 2HD1 ILE 145 2HD1 ILE 145 119.965 -28.401 -28.401 1080 3HD1 ILE 145 1HD1 ILE 145 121.478 -28.685 -28.685 1081 H ASP 146 H ASP 146 122.075 -28.880 -28.880 1082 HA ASP 146 HA ASP 146 122.053 -28.700 -28.700 1083 1HB ASP 146 2HB ASP 146 121.538 -30.607 -30.607 1084 2HB ASP 146 1HB ASP 146 119.865 -30.230 -30.230 1085 H ALA 147 H ALA 147 121.063 -27.093 -27.093 1086 HA ALA 147 HA ALA 147 118.861 -25.498 -25.498 1087 1HB ALA 147 1HB ALA 147 120.471 -26.129 -26.129 1088 2HB ALA 147 3HB ALA 147 118.787 -26.029 -26.029 1089 3HB ALA 147 2HB ALA 147 119.544 -24.663 -24.663 1090 H ALA 148 H ALA 148 116.672 -25.838 -25.838 1091 HA ALA 148 HA ALA 148 115.399 -28.018 -28.018 1092 1HB ALA 148 1HB ALA 148 116.448 -29.016 -29.016 1093 2HB ALA 148 3HB ALA 148 115.374 -27.998 -27.998 1094 3HB ALA 148 2HB ALA 148 114.702 -29.237 -29.237 1095 H GLU 149 H GLU 149 113.614 -26.979 -26.979 1096 HA GLU 149 HA GLU 149 112.353 -24.805 -24.805 1097 1HB GLU 149 2HB GLU 149 112.922 -24.860 -24.860 1098 2HB GLU 149 1HB GLU 149 111.505 -25.900 -25.900 1099 1HG GLU 149 2HG GLU 149 110.578 -23.782 -23.782 1100 2HG GLU 149 1HG GLU 149 110.313 -24.021 -24.021 1101 H GLY 150 H GLY 150 110.782 -25.395 -25.395 1102 1HA GLY 150 2HA GLY 150 108.899 -26.482 -26.482 1103 2HA GLY 150 1HA GLY 150 108.505 -26.971 -26.971 1104 HA PRO 151 HA PRO 151 110.434 -30.509 -30.509 1105 1HB PRO 151 2HB PRO 151 108.275 -31.630 -31.630 1106 2HB PRO 151 1HB PRO 151 109.283 -30.382 -30.382 1107 1HG PRO 151 2HG PRO 151 106.593 -30.164 -30.164 1108 2HG PRO 151 1HG PRO 151 107.320 -29.245 -29.245 1109 1HD PRO 151 2HD PRO 151 107.019 -28.368 -28.368 1110 2HD PRO 151 1HD PRO 151 108.067 -27.634 -27.634 1111 H SER 152 H SER 152 110.592 -32.383 -32.383 1112 HA SER 152 HA SER 152 108.625 -32.871 -32.871 1113 1HB SER 152 2HB SER 152 110.575 -33.535 -33.535 1114 2HB SER 152 1HB SER 152 111.402 -33.390 -33.390 1115 HG SER 152 HG SER 152 110.090 -35.612 -35.612 1116 H ASP 153 H ASP 153 106.813 -34.068 -34.068 1117 HA ASP 153 HA ASP 153 106.678 -35.751 -35.751 1118 1HB ASP 153 2HB ASP 153 104.950 -34.615 -34.615 1119 2HB ASP 153 1HB ASP 153 104.535 -36.306 -36.306 1120 H ILE 154 H ILE 154 108.805 -36.814 -36.814 1121 HA ILE 154 HA ILE 154 107.758 -39.248 -39.248 1122 HB ILE 154 HB ILE 154 110.385 -37.733 -37.733 1123 1HG1 ILE 154 2HG1 ILE 154 108.375 -38.436 -38.436 1124 2HG1 ILE 154 1HG1 ILE 154 108.409 -36.890 -36.890 1125 1HG2 ILE 154 2HG2 ILE 154 110.354 -40.416 -40.416 1126 2HG2 ILE 154 1HG2 ILE 154 109.859 -40.080 -40.080 1127 3HG2 ILE 154 3HG2 ILE 154 111.392 -39.455 -39.455 1128 1HD1 ILE 154 1HD1 ILE 154 110.889 -36.772 -36.772 1129 2HD1 ILE 154 3HD1 ILE 154 110.481 -38.054 -38.054 1130 3HD1 ILE 154 2HD1 ILE 154 109.671 -36.490 -36.490 1131 HA PRO 155 HA PRO 155 109.175 -40.757 -40.757 1132 1HB PRO 155 2HB PRO 155 107.714 -43.078 -43.078 1133 2HB PRO 155 1HB PRO 155 107.043 -41.530 -41.530 1134 1HG PRO 155 2HG PRO 155 106.813 -42.831 -42.831 1135 2HG PRO 155 1HG PRO 155 105.573 -42.004 -42.004 1136 1HD PRO 155 2HD PRO 155 106.804 -40.802 -40.802 1137 2HD PRO 155 1HD PRO 155 106.303 -39.899 -39.899 1138 H ASP 156 HN ASP 156 111.114 -41.797 -41.797 1139 HA ASP 156 HA ASP 156 112.150 -43.263 -43.263 1140 1HB ASP 156 2HB ASP 156 113.357 -41.744 -41.744 1141 2HB ASP 156 1HB ASP 156 113.272 -43.095 -43.095 Start of MODEL 17 1 1H MET 1 2H MET 1 117.323 36.863 36.863 2 2H MET 1 1H MET 1 116.981 36.349 36.349 3 3H MET 1 3H MET 1 117.987 37.690 37.690 4 HA MET 1 HA MET 1 119.780 36.411 36.411 5 1HB MET 1 2HB MET 1 118.405 35.902 35.902 6 2HB MET 1 1HB MET 1 118.771 34.293 34.293 7 1HG MET 1 2HG MET 1 120.979 34.516 34.516 8 2HG MET 1 1HG MET 1 121.039 36.131 36.131 9 1HE MET 1 1HE MET 1 121.956 34.315 34.315 10 2HE MET 1 3HE MET 1 121.266 34.964 34.964 11 3HE MET 1 2HE MET 1 120.279 33.979 33.979 12 H GLU 2 H GLU 2 120.412 34.950 34.950 13 HA GLU 2 HA GLU 2 118.417 32.872 32.872 14 1HB GLU 2 2HB GLU 2 118.992 34.908 34.908 15 2HB GLU 2 1HB GLU 2 120.558 34.133 34.133 16 1HG GLU 2 2HG GLU 2 119.607 32.925 32.925 17 2HG GLU 2 1HG GLU 2 118.696 32.078 32.078 18 HA PRO 3 HA PRO 3 121.960 30.391 30.391 19 1HB PRO 3 2HB PRO 3 120.568 28.042 28.042 20 2HB PRO 3 1HB PRO 3 120.544 29.273 29.273 21 1HG PRO 3 2HG PRO 3 118.537 28.715 28.715 22 2HG PRO 3 1HG PRO 3 118.287 29.144 29.144 23 1HD PRO 3 2HD PRO 3 118.026 30.925 30.925 24 2HD PRO 3 1HD PRO 3 118.529 31.389 31.389 25 H ALA 4 H ALA 4 123.369 29.239 29.239 26 HA ALA 4 HA ALA 4 122.747 27.352 27.352 27 1HB ALA 4 2HB ALA 4 122.270 30.128 30.128 28 2HB ALA 4 1HB ALA 4 123.492 29.424 29.424 29 3HB ALA 4 3HB ALA 4 121.901 28.674 28.674 30 H ALA 5 H ALA 5 124.691 26.285 26.285 31 HA ALA 5 HA ALA 5 127.176 27.649 27.649 32 1HB ALA 5 2HB ALA 5 126.325 27.631 27.631 33 2HB ALA 5 1HB ALA 5 127.587 26.402 26.402 34 3HB ALA 5 3HB ALA 5 127.930 28.058 28.058 35 H GLY 6 H GLY 6 126.133 25.600 25.600 36 1HA GLY 6 2HA GLY 6 128.089 23.622 23.622 37 2HA GLY 6 1HA GLY 6 126.889 22.977 22.977 38 H SER 7 H SER 7 127.365 21.734 21.734 39 HA SER 7 HA SER 7 125.180 22.594 22.594 40 1HB SER 7 2HB SER 7 126.201 20.826 20.826 41 2HB SER 7 1HB SER 7 127.373 22.030 22.030 42 HG SER 7 HG SER 7 127.032 19.361 19.361 43 H SER 8 H SER 8 125.406 20.667 20.667 44 HA SER 8 HA SER 8 123.747 18.424 18.424 45 1HB SER 8 2HB SER 8 123.807 17.947 17.947 46 2HB SER 8 1HB SER 8 125.393 18.088 18.088 47 HG SER 8 HG SER 8 125.652 19.496 19.496 48 H MET 9 H MET 9 121.679 19.082 19.082 49 HA MET 9 HA MET 9 120.172 21.248 21.248 50 1HB MET 9 2HB MET 9 119.874 19.409 19.409 51 2HB MET 9 1HB MET 9 118.826 18.671 18.671 52 1HG MET 9 2HG MET 9 117.483 20.680 20.680 53 2HG MET 9 1HG MET 9 118.599 21.558 21.558 54 1HE MET 9 1HE MET 9 115.737 19.831 19.831 55 2HE MET 9 3HE MET 9 114.926 19.539 19.539 56 3HE MET 9 2HE MET 9 115.938 18.289 18.289 57 H GLU 10 H GLU 10 120.389 21.349 21.349 58 HA GLU 10 HA GLU 10 119.821 20.844 20.844 59 1HB GLU 10 2HB GLU 10 117.475 19.706 19.706 60 2HB GLU 10 1HB GLU 10 117.458 20.056 20.056 61 1HG GLU 10 2HG GLU 10 116.858 22.169 22.169 62 2HG GLU 10 1HG GLU 10 118.438 22.395 22.395 63 HA PRO 11 HA PRO 11 121.289 16.511 16.511 64 1HB PRO 11 2HB PRO 11 123.117 16.746 16.746 65 2HB PRO 11 1HB PRO 11 123.475 17.203 17.203 66 1HG PRO 11 2HG PRO 11 122.780 18.922 18.922 67 2HG PRO 11 1HG PRO 11 123.919 19.216 19.216 68 1HD PRO 11 2HD PRO 11 121.417 20.319 20.319 69 2HD PRO 11 1HD PRO 11 122.301 20.051 20.051 70 H SER 12 H SER 12 119.075 16.074 16.074 71 HA SER 12 HA SER 12 119.061 15.850 15.850 72 1HB SER 12 2HB SER 12 116.553 15.877 15.877 73 2HB SER 12 1HB SER 12 116.866 16.573 16.573 74 HG SER 12 HG SER 12 118.277 18.078 18.078 75 H ALA 13 H ALA 13 117.173 14.415 14.415 76 HA ALA 13 HA ALA 13 116.496 12.176 12.176 77 1HB ALA 13 2HB ALA 13 118.921 12.074 12.074 78 2HB ALA 13 1HB ALA 13 119.249 11.764 11.764 79 3HB ALA 13 3HB ALA 13 118.366 10.576 10.576 80 H ASP 14 H ASP 14 116.126 13.509 13.509 81 HA ASP 14 HA ASP 14 116.061 11.109 11.109 82 1HB ASP 14 2HB ASP 14 115.669 12.810 12.810 83 2HB ASP 14 1HB ASP 14 117.123 13.155 13.155 84 H TRP 15 H TRP 15 114.038 12.462 12.462 85 HA TRP 15 HA TRP 15 111.542 12.857 12.857 86 1HB TRP 15 2HB TRP 15 112.537 11.936 11.936 87 2HB TRP 15 1HB TRP 15 110.817 11.765 11.765 88 HD1 TRP 15 HD1 TRP 15 112.631 14.652 14.652 89 HE1 TRP 15 HE1 TRP 15 111.860 16.863 16.863 90 HE3 TRP 15 HE3 TRP 15 109.935 12.809 12.809 91 HZ2 TRP 15 HZ2 TRP 15 110.303 17.729 17.729 92 HZ3 TRP 15 HZ3 TRP 15 108.818 14.345 14.345 93 HH2 TRP 15 HH2 TRP 15 108.997 16.799 16.799 94 H LEU 16 H LEU 16 113.382 9.926 9.926 95 HA LEU 16 HA LEU 16 111.159 8.070 8.070 96 1HB LEU 16 2HB LEU 16 112.938 7.052 7.052 97 2HB LEU 16 1HB LEU 16 114.117 8.093 8.093 98 HG LEU 16 HG LEU 16 113.869 6.805 6.805 99 1HD1 LEU 16 2HD1 LEU 16 111.551 5.777 5.777 100 2HD1 LEU 16 1HD1 LEU 16 112.581 4.455 4.455 101 3HD1 LEU 16 3HD1 LEU 16 111.961 5.630 5.630 102 1HD2 LEU 16 3HD2 LEU 16 114.666 5.528 5.528 103 2HD2 LEU 16 2HD2 LEU 16 115.648 5.903 5.903 104 3HD2 LEU 16 1HD2 LEU 16 114.590 4.492 4.492 105 H ALA 17 H ALA 17 113.647 9.442 9.442 106 HA ALA 17 HA ALA 17 112.682 8.006 8.006 107 1HB ALA 17 3HB ALA 17 114.726 10.047 10.047 108 2HB ALA 17 2HB ALA 17 114.213 10.024 10.024 109 3HB ALA 17 1HB ALA 17 114.905 8.576 8.576 110 H THR 18 H THR 18 112.452 11.358 11.358 111 HA THR 18 HA THR 18 111.081 12.651 12.651 112 HB THR 18 HB THR 18 109.875 13.691 13.691 113 HG1 THR 18 HG1 THR 18 112.152 12.695 12.695 114 1HG2 THR 18 1HG2 THR 18 112.653 13.904 13.904 115 2HG2 THR 18 3HG2 THR 18 112.299 14.717 14.717 116 3HG2 THR 18 2HG2 THR 18 111.381 15.125 15.125 117 H ALA 19 H ALA 19 109.494 10.936 10.936 118 HA ALA 19 HA ALA 19 106.830 11.114 11.114 119 1HB ALA 19 3HB ALA 19 108.285 9.105 9.105 120 2HB ALA 19 2HB ALA 19 106.531 9.119 9.119 121 3HB ALA 19 1HB ALA 19 107.348 10.501 10.501 122 H ALA 20 H ALA 20 109.274 8.537 8.537 123 HA ALA 20 HA ALA 20 107.732 6.667 6.667 124 1HB ALA 20 1HB ALA 20 110.105 6.482 6.482 125 2HB ALA 20 3HB ALA 20 110.615 7.458 7.458 126 3HB ALA 20 2HB ALA 20 109.890 5.873 5.873 127 H ALA 21 H ALA 21 109.762 9.275 9.275 128 HA ALA 21 HA ALA 21 109.053 8.902 8.902 129 1HB ALA 21 3HB ALA 21 110.583 10.638 10.638 130 2HB ALA 21 2HB ALA 21 109.444 11.690 11.690 131 3HB ALA 21 1HB ALA 21 110.509 10.629 10.629 132 H ARG 22 H ARG 22 107.355 10.545 10.545 133 HA ARG 22 HA ARG 22 105.390 11.752 11.752 134 1HB ARG 22 2HB ARG 22 106.431 12.217 12.217 135 2HB ARG 22 1HB ARG 22 104.701 11.921 11.921 136 1HG ARG 22 2HG ARG 22 104.412 13.562 13.562 137 2HG ARG 22 1HG ARG 22 106.076 14.041 14.041 138 1HD ARG 22 2HD ARG 22 105.033 14.110 14.110 139 2HD ARG 22 1HD ARG 22 103.624 14.595 14.595 140 HE ARG 22 HE ARG 22 105.266 16.240 16.240 141 1HH1 ARG 22 2HH1 ARG 22 104.715 15.818 15.818 142 2HH1 ARG 22 1HH1 ARG 22 105.997 16.857 16.857 143 1HH2 ARG 22 1HH2 ARG 22 107.324 17.269 17.269 144 2HH2 ARG 22 2HH2 ARG 22 107.474 17.677 17.677 145 H GLY 23 H GLY 23 105.688 8.720 8.720 146 1HA GLY 23 2HA GLY 23 104.306 6.855 6.855 147 2HA GLY 23 1HA GLY 23 103.051 7.916 7.916 148 H ARG 24 H ARG 24 104.851 8.108 8.108 149 HA ARG 24 HA ARG 24 102.207 8.104 8.104 150 1HB ARG 24 2HB ARG 24 104.851 9.454 9.454 151 2HB ARG 24 1HB ARG 24 103.945 9.089 9.089 152 1HG ARG 24 2HG ARG 24 102.005 10.116 10.116 153 2HG ARG 24 1HG ARG 24 103.418 11.105 11.105 154 1HD ARG 24 2HD ARG 24 103.324 10.806 10.806 155 2HD ARG 24 1HD ARG 24 101.697 11.261 11.261 156 HE ARG 24 HE ARG 24 103.813 12.786 12.786 157 1HH1 ARG 24 2HH1 ARG 24 101.216 14.031 14.031 158 2HH1 ARG 24 1HH1 ARG 24 101.475 15.041 15.041 159 1HH2 ARG 24 1HH2 ARG 24 104.389 13.427 13.427 160 2HH2 ARG 24 2HH2 ARG 24 103.271 14.699 14.699 161 H VAL 25 H VAL 25 102.010 5.820 5.820 162 HA VAL 25 HA VAL 25 104.166 4.170 4.170 163 HB VAL 25 HB VAL 25 101.218 3.914 3.914 164 1HG1 VAL 25 1HG1 VAL 25 102.957 1.966 1.966 165 2HG1 VAL 25 3HG1 VAL 25 101.529 1.444 1.444 166 3HG1 VAL 25 2HG1 VAL 25 101.365 2.582 2.582 167 1HG2 VAL 25 2HG2 VAL 25 103.085 3.753 3.753 168 2HG2 VAL 25 1HG2 VAL 25 101.958 2.398 2.398 169 3HG2 VAL 25 3HG2 VAL 25 103.555 2.248 2.248 170 H GLU 26 H GLU 26 101.170 5.533 5.533 171 HA GLU 26 HA GLU 26 101.470 4.455 4.455 172 1HB GLU 26 2HB GLU 26 99.799 6.260 6.260 173 2HB GLU 26 1HB GLU 26 100.304 7.099 7.099 174 1HG GLU 26 2HG GLU 26 99.710 4.497 4.497 175 2HG GLU 26 1HG GLU 26 98.435 4.887 4.887 176 H GLU 27 H GLU 27 102.908 7.325 7.325 177 HA GLU 27 HA GLU 27 103.960 8.406 8.406 178 1HB GLU 27 2HB GLU 27 103.473 9.545 9.545 179 2HB GLU 27 1HB GLU 27 105.012 8.866 8.866 180 1HG GLU 27 2HG GLU 27 105.972 10.704 10.704 181 2HG GLU 27 1HG GLU 27 105.632 9.971 9.971 182 H VAL 28 H VAL 28 105.373 6.518 6.518 183 HA VAL 28 HA VAL 28 108.014 6.332 6.332 184 HB VAL 28 HB VAL 28 106.400 4.671 4.671 185 1HG1 VAL 28 2HG1 VAL 28 109.065 4.186 4.186 186 2HG1 VAL 28 1HG1 VAL 28 109.014 4.110 4.110 187 3HG1 VAL 28 3HG1 VAL 28 107.970 3.060 3.060 188 1HG2 VAL 28 1HG2 VAL 28 108.487 6.848 6.848 189 2HG2 VAL 28 3HG2 VAL 28 106.864 6.826 6.826 190 3HG2 VAL 28 2HG2 VAL 28 108.119 5.786 5.786 191 H ARG 29 H ARG 29 105.227 4.049 4.049 192 HA ARG 29 HA ARG 29 106.490 1.984 1.984 193 1HB ARG 29 2HB ARG 29 103.652 3.066 3.066 194 2HB ARG 29 1HB ARG 29 104.128 1.509 1.509 195 1HG ARG 29 2HG ARG 29 104.588 2.304 2.304 196 2HG ARG 29 1HG ARG 29 103.214 1.347 1.347 197 1HD ARG 29 2HD ARG 29 106.138 0.583 0.583 198 2HD ARG 29 1HD ARG 29 105.010 -0.137 -0.137 199 HE ARG 29 HE ARG 29 104.837 -0.418 -0.418 200 1HH1 ARG 29 2HH1 ARG 29 102.212 -0.240 -0.240 201 2HH1 ARG 29 1HH1 ARG 29 101.854 -1.923 -1.923 202 1HH2 ARG 29 1HH2 ARG 29 105.024 -2.974 -2.974 203 2HH2 ARG 29 2HH2 ARG 29 103.446 -3.474 -3.474 204 H ALA 30 H ALA 30 104.754 4.875 4.875 205 HA ALA 30 HA ALA 30 105.347 4.322 4.322 206 1HB ALA 30 1HB ALA 30 104.320 6.729 6.729 207 2HB ALA 30 3HB ALA 30 104.385 6.650 6.650 208 3HB ALA 30 2HB ALA 30 103.355 5.533 5.533 209 H LEU 31 H LEU 31 106.729 6.418 6.418 210 HA LEU 31 HA LEU 31 108.513 7.929 7.929 211 1HB LEU 31 2HB LEU 31 108.320 7.097 7.097 212 2HB LEU 31 1HB LEU 31 109.819 7.838 7.838 213 HG LEU 31 HG LEU 31 107.055 9.048 9.048 214 1HD1 LEU 31 3HD1 LEU 31 108.169 8.913 8.913 215 2HD1 LEU 31 2HD1 LEU 31 109.315 10.091 10.091 216 3HD1 LEU 31 1HD1 LEU 31 107.599 10.487 10.487 217 1HD2 LEU 31 3HD2 LEU 31 109.735 9.669 9.669 218 2HD2 LEU 31 2HD2 LEU 31 108.142 10.138 10.138 219 3HD2 LEU 31 1HD2 LEU 31 108.896 11.044 11.044 220 H LEU 32 H LEU 32 109.392 5.162 5.162 221 HA LEU 32 HA LEU 32 111.997 4.716 4.716 222 1HB LEU 32 2HB LEU 32 109.852 3.268 3.268 223 2HB LEU 32 1HB LEU 32 110.884 2.181 2.181 224 HG LEU 32 HG LEU 32 112.049 4.283 4.283 225 1HD1 LEU 32 3HD1 LEU 32 110.548 2.856 2.856 226 2HD1 LEU 32 2HD1 LEU 32 111.336 1.419 1.419 227 3HD1 LEU 32 1HD1 LEU 32 112.238 2.527 2.527 228 1HD2 LEU 32 3HD2 LEU 32 113.304 2.868 2.868 229 2HD2 LEU 32 2HD2 LEU 32 114.048 3.128 3.128 230 3HD2 LEU 32 1HD2 LEU 32 113.234 1.604 1.604 231 H GLU 33 H GLU 33 108.981 3.438 3.438 232 HA GLU 33 HA GLU 33 110.311 1.948 1.948 233 1HB GLU 33 2HB GLU 33 107.583 2.748 2.748 234 2HB GLU 33 1HB GLU 33 107.768 2.403 2.403 235 1HG GLU 33 2HG GLU 33 108.532 0.194 0.194 236 2HG GLU 33 1HG GLU 33 108.843 0.533 0.533 237 H ALA 34 H ALA 34 109.717 5.300 5.300 238 HA ALA 34 HA ALA 34 109.681 5.942 5.942 239 1HB ALA 34 3HB ALA 34 109.032 7.198 7.198 240 2HB ALA 34 2HB ALA 34 109.838 8.292 8.292 241 3HB ALA 34 1HB ALA 34 108.338 7.493 7.493 242 H GLY 35 H GLY 35 112.013 5.460 5.460 243 1HA GLY 35 2HA GLY 35 114.361 5.523 5.523 244 2HA GLY 35 1HA GLY 35 113.967 7.203 7.203 245 H ALA 36 H ALA 36 112.486 6.655 6.655 246 HA ALA 36 HA ALA 36 114.172 8.293 8.293 247 1HB ALA 36 2HB ALA 36 111.831 6.689 6.689 248 2HB ALA 36 1HB ALA 36 112.888 6.331 6.331 249 3HB ALA 36 3HB ALA 36 112.381 7.991 7.991 250 H LEU 37 H LEU 37 116.356 7.795 7.795 251 HA LEU 37 HA LEU 37 117.631 5.308 5.308 252 1HB LEU 37 2HB LEU 37 118.559 7.682 7.682 253 2HB LEU 37 1HB LEU 37 118.429 7.683 7.683 254 HG LEU 37 HG LEU 37 119.813 5.546 5.546 255 1HD1 LEU 37 2HD1 LEU 37 119.512 6.005 6.005 256 2HD1 LEU 37 1HD1 LEU 37 121.219 5.973 5.973 257 3HD1 LEU 37 3HD1 LEU 37 120.182 4.602 4.602 258 1HD2 LEU 37 3HD2 LEU 37 120.846 8.234 8.234 259 2HD2 LEU 37 2HD2 LEU 37 120.951 7.492 7.492 260 3HD2 LEU 37 1HD2 LEU 37 121.954 6.889 6.889 261 HA PRO 38 HA PRO 38 116.078 3.630 3.630 262 1HB PRO 38 2HB PRO 38 117.553 1.318 1.318 263 2HB PRO 38 1HB PRO 38 116.070 1.547 1.547 264 1HG PRO 38 2HG PRO 38 118.918 1.784 1.784 265 2HG PRO 38 1HG PRO 38 117.545 1.053 1.053 266 1HD PRO 38 2HD PRO 38 118.478 3.513 3.513 267 2HD PRO 38 1HD PRO 38 116.758 3.083 3.083 268 H ASN 39 H ASN 39 119.572 3.531 3.531 269 HA ASN 39 HA ASN 39 120.268 3.713 3.713 270 1HB ASN 39 2HB ASN 39 121.910 3.574 3.574 271 2HB ASN 39 1HB ASN 39 122.575 3.482 3.482 272 1HD2 ASN 39 1HD2 ASN 39 120.574 1.818 1.818 273 2HD2 ASN 39 2HD2 ASN 39 120.642 0.285 0.285 274 H ALA 40 H ALA 40 118.879 5.966 5.966 275 HA ALA 40 HA ALA 40 120.866 8.088 8.088 276 1HB ALA 40 1HB ALA 40 118.407 7.632 7.632 277 2HB ALA 40 3HB ALA 40 117.955 8.596 8.596 278 3HB ALA 40 2HB ALA 40 119.035 9.270 9.270 279 HA PRO 41 HA PRO 41 120.646 8.478 8.478 280 1HB PRO 41 2HB PRO 41 123.108 9.661 9.661 281 2HB PRO 41 1HB PRO 41 122.883 7.901 7.901 282 1HG PRO 41 2HG PRO 41 123.687 9.787 9.787 283 2HG PRO 41 1HG PRO 41 124.311 8.173 8.173 284 1HD PRO 41 2HD PRO 41 122.553 8.623 8.623 285 2HD PRO 41 1HD PRO 41 122.578 7.107 7.107 286 H ASN 42 H ASN 42 119.035 10.132 10.132 287 HA ASN 42 HA ASN 42 119.372 12.719 12.719 288 1HB ASN 42 2HB ASN 42 117.368 13.242 13.242 289 2HB ASN 42 1HB ASN 42 117.219 11.659 11.659 290 1HD2 ASN 42 1HD2 ASN 42 115.599 11.808 11.808 291 2HD2 ASN 42 2HD2 ASN 42 116.239 11.066 11.066 292 H SER 43 H SER 43 118.645 14.430 14.430 293 HA SER 43 HA SER 43 121.337 14.801 14.801 294 1HB SER 43 2HB SER 43 119.366 16.452 16.452 295 2HB SER 43 1HB SER 43 119.228 16.727 16.727 296 HG SER 43 HG SER 43 121.789 16.694 16.694 297 H TYR 44 H TYR 44 119.659 12.606 12.606 298 HA TYR 44 HA TYR 44 119.211 13.611 13.611 299 1HB TYR 44 2HB TYR 44 117.471 12.289 12.289 300 2HB TYR 44 1HB TYR 44 117.576 11.375 11.375 301 HD1 TYR 44 HD2 TYR 44 117.239 12.646 12.646 302 HD2 TYR 44 HD1 TYR 44 116.164 14.242 14.242 303 HE1 TYR 44 HE2 TYR 44 115.745 14.288 14.288 304 HE2 TYR 44 HE1 TYR 44 114.669 15.886 15.886 305 HH TYR 44 HH TYR 44 113.386 15.759 15.759 306 H GLY 45 H GLY 45 120.947 11.439 11.439 307 1HA GLY 45 2HA GLY 45 122.271 9.568 9.568 308 2HA GLY 45 1HA GLY 45 122.435 10.286 10.286 309 H ARG 46 H ARG 46 119.276 9.482 9.482 310 HA ARG 46 HA ARG 46 119.151 7.223 7.223 311 1HB ARG 46 2HB ARG 46 117.595 9.602 9.602 312 2HB ARG 46 1HB ARG 46 116.575 8.188 8.188 313 1HG ARG 46 2HG ARG 46 117.881 7.467 7.467 314 2HG ARG 46 1HG ARG 46 117.777 9.216 9.216 315 1HD ARG 46 2HD ARG 46 115.274 8.899 8.899 316 2HD ARG 46 1HD ARG 46 115.543 7.212 7.212 317 HE ARG 46 HE ARG 46 116.571 9.057 9.057 318 1HH1 ARG 46 1HH2 ARG 46 113.485 8.992 8.992 319 2HH1 ARG 46 2HH2 ARG 46 112.720 8.444 8.444 320 1HH2 ARG 46 2HH1 ARG 46 115.701 7.721 7.721 321 2HH2 ARG 46 1HH1 ARG 46 113.972 7.726 7.726 322 H ARG 47 H ARG 47 120.029 7.059 7.059 323 HA ARG 47 HA ARG 47 119.602 5.777 5.777 324 1HB ARG 47 2HB ARG 47 117.889 4.214 4.214 325 2HB ARG 47 1HB ARG 47 118.745 3.584 3.584 326 1HG ARG 47 2HG ARG 47 120.015 4.735 4.735 327 2HG ARG 47 1HG ARG 47 120.006 3.042 3.042 328 1HD ARG 47 2HD ARG 47 121.891 3.382 3.382 329 2HD ARG 47 1HD ARG 47 121.048 4.599 4.599 330 HE ARG 47 HE ARG 47 121.546 5.972 5.972 331 1HH1 ARG 47 2HH1 ARG 47 123.114 6.603 6.603 332 2HH1 ARG 47 1HH1 ARG 47 124.742 6.316 6.316 333 1HH2 ARG 47 1HH2 ARG 47 123.817 4.495 4.495 334 2HH2 ARG 47 2HH2 ARG 47 125.141 5.122 5.122 335 HA PRO 48 HA PRO 48 115.612 6.782 6.782 336 1HB PRO 48 2HB PRO 48 115.065 4.774 4.774 337 2HB PRO 48 1HB PRO 48 116.339 5.971 5.971 338 1HG PRO 48 2HG PRO 48 116.563 3.140 3.140 339 2HG PRO 48 1HG PRO 48 117.742 4.206 4.206 340 1HD PRO 48 2HD PRO 48 117.643 3.392 3.392 341 2HD PRO 48 1HD PRO 48 118.787 4.520 4.520 342 H ILE 49 H ILE 49 115.830 3.805 3.805 343 HA ILE 49 HA ILE 49 112.847 3.535 3.535 344 HB ILE 49 HB ILE 49 115.144 1.670 1.670 345 1HG1 ILE 49 2HG1 ILE 49 113.052 1.870 1.870 346 2HG1 ILE 49 1HG1 ILE 49 114.800 1.733 1.733 347 1HG2 ILE 49 2HG2 ILE 49 112.154 1.226 1.226 348 2HG2 ILE 49 1HG2 ILE 49 113.385 -0.027 -0.027 349 3HG2 ILE 49 3HG2 ILE 49 113.336 1.312 1.312 350 1HD1 ILE 49 2HD1 ILE 49 114.357 -0.576 -0.576 351 2HD1 ILE 49 1HD1 ILE 49 112.769 -0.392 -0.392 352 3HD1 ILE 49 3HD1 ILE 49 114.214 -0.454 -0.454 353 H GLN 50 H GLN 50 115.713 3.650 3.650 354 HA GLN 50 HA GLN 50 114.587 3.411 3.411 355 1HB GLN 50 2HB GLN 50 116.965 4.321 4.321 356 2HB GLN 50 1HB GLN 50 116.411 5.685 5.685 357 1HG GLN 50 2HG GLN 50 116.315 4.342 4.342 358 2HG GLN 50 1HG GLN 50 116.592 2.863 2.863 359 1HE2 GLN 50 1HE2 GLN 50 118.775 2.600 2.600 360 2HE2 GLN 50 2HE2 GLN 50 120.108 3.428 3.428 361 H VAL 51 H VAL 51 114.261 6.110 6.110 362 HA VAL 51 HA VAL 51 112.670 7.608 7.608 363 HB VAL 51 HB VAL 51 114.629 8.755 8.755 364 1HG1 VAL 51 2HG1 VAL 51 113.425 7.787 7.787 365 2HG1 VAL 51 1HG1 VAL 51 114.239 9.351 9.351 366 3HG1 VAL 51 3HG1 VAL 51 115.120 7.907 7.907 367 1HG2 VAL 51 3HG2 VAL 51 112.072 9.776 9.776 368 2HG2 VAL 51 2HG2 VAL 51 113.527 10.734 10.734 369 3HG2 VAL 51 1HG2 VAL 51 112.553 10.197 10.197 370 H MET 52 H MET 52 111.490 5.355 5.355 371 HA MET 52 HA MET 52 109.746 6.635 6.635 372 1HB MET 52 2HB MET 52 109.144 4.327 4.327 373 2HB MET 52 1HB MET 52 110.897 4.466 4.466 374 1HG MET 52 2HG MET 52 110.904 2.789 2.789 375 2HG MET 52 1HG MET 52 110.046 3.845 3.845 376 1HE MET 52 2HE MET 52 110.362 0.769 0.769 377 2HE MET 52 1HE MET 52 109.324 0.670 0.670 378 3HE MET 52 3HE MET 52 108.804 -0.048 -0.048 379 H MET 53 H MET 53 109.556 7.192 7.192 380 HA MET 53 HA MET 53 107.820 7.567 7.567 381 1HB MET 53 2HB MET 53 106.697 7.892 7.892 382 2HB MET 53 1HB MET 53 105.958 6.325 6.325 383 1HG MET 53 2HG MET 53 105.830 8.268 8.268 384 2HG MET 53 1HG MET 53 104.878 8.688 8.688 385 1HE MET 53 3HE MET 53 104.171 6.553 6.553 386 2HE MET 53 2HE MET 53 103.097 5.329 5.329 387 3HE MET 53 1HE MET 53 102.562 7.004 7.004 388 H MET 54 H MET 54 108.678 4.495 4.495 389 HA MET 54 HA MET 54 108.217 2.297 2.297 390 1HB MET 54 2HB MET 54 108.415 4.087 4.087 391 2HB MET 54 1HB MET 54 108.099 2.367 2.367 392 1HG MET 54 2HG MET 54 110.453 3.569 3.569 393 2HG MET 54 1HG MET 54 110.512 2.794 2.794 394 1HE MET 54 3HE MET 54 111.006 2.692 2.692 395 2HE MET 54 2HE MET 54 112.338 1.826 1.826 396 3HE MET 54 1HE MET 54 111.325 1.008 1.008 397 H GLY 55 H GLY 55 105.836 3.954 3.954 398 1HA GLY 55 2HA GLY 55 103.816 2.450 2.450 399 2HA GLY 55 1HA GLY 55 103.532 4.108 4.108 400 H SER 56 H SER 56 105.300 2.496 2.496 401 HA SER 56 HA SER 56 102.903 1.447 1.447 402 1HB SER 56 2HB SER 56 104.472 3.894 3.894 403 2HB SER 56 1HB SER 56 104.144 2.877 2.877 404 HG SER 56 HG SER 56 102.060 3.290 3.290 405 H ALA 57 H ALA 57 104.002 -0.628 -0.628 406 HA ALA 57 HA ALA 57 106.662 -1.285 -1.285 407 1HB ALA 57 3HB ALA 57 104.001 -2.676 -2.676 408 2HB ALA 57 2HB ALA 57 105.380 -3.529 -3.529 409 3HB ALA 57 1HB ALA 57 105.438 -2.979 -2.979 410 H ARG 58 H ARG 58 103.835 -0.721 -0.721 411 HA ARG 58 HA ARG 58 104.668 -1.827 -1.827 412 1HB ARG 58 2HB ARG 58 102.771 0.113 0.113 413 2HB ARG 58 1HB ARG 58 103.419 0.651 0.651 414 1HG ARG 58 2HG ARG 58 101.639 -0.684 -0.684 415 2HG ARG 58 1HG ARG 58 102.976 -1.831 -1.831 416 1HD ARG 58 2HD ARG 58 102.299 -2.896 -2.896 417 2HD ARG 58 1HD ARG 58 101.296 -1.517 -1.517 418 HE ARG 58 HE ARG 58 100.504 -3.606 -3.606 419 1HH1 ARG 58 2HH1 ARG 58 100.125 -1.244 -1.244 420 2HH1 ARG 58 1HH1 ARG 58 98.569 -0.653 -0.653 421 1HH2 ARG 58 1HH2 ARG 58 98.494 -2.454 -2.454 422 2HH2 ARG 58 2HH2 ARG 58 97.644 -1.340 -1.340 423 H VAL 59 H VAL 59 105.550 1.256 1.256 424 HA VAL 59 HA VAL 59 107.016 2.409 2.409 425 HB VAL 59 HB VAL 59 107.394 2.542 2.542 426 1HG1 VAL 59 3HG1 VAL 59 108.679 3.955 3.955 427 2HG1 VAL 59 2HG1 VAL 59 108.277 4.914 4.914 428 3HG1 VAL 59 1HG1 VAL 59 109.351 3.526 3.526 429 1HG2 VAL 59 2HG2 VAL 59 105.158 3.235 3.235 430 2HG2 VAL 59 1HG2 VAL 59 105.862 4.308 4.308 431 3HG2 VAL 59 3HG2 VAL 59 106.092 4.643 4.643 432 H ALA 60 H ALA 60 108.296 0.673 0.673 433 HA ALA 60 HA ALA 60 110.928 0.255 0.255 434 1HB ALA 60 1HB ALA 60 109.273 -0.485 -0.485 435 2HB ALA 60 3HB ALA 60 109.911 -1.995 -1.995 436 3HB ALA 60 2HB ALA 60 111.015 -0.721 -0.721 437 H GLU 61 H GLU 61 107.908 -1.328 -1.328 438 HA GLU 61 HA GLU 61 108.784 -3.790 -3.790 439 1HB GLU 61 2HB GLU 61 106.437 -2.596 -2.596 440 2HB GLU 61 1HB GLU 61 106.742 -2.109 -2.109 441 1HG GLU 61 2HG GLU 61 106.892 -4.973 -4.973 442 2HG GLU 61 1HG GLU 61 105.476 -4.267 -4.267 443 H LEU 62 H LEU 62 108.044 -0.989 -0.989 444 HA LEU 62 HA LEU 62 109.603 -1.954 -1.954 445 1HB LEU 62 2HB LEU 62 107.933 0.166 0.166 446 2HB LEU 62 1HB LEU 62 109.491 0.964 0.964 447 HG LEU 62 HG LEU 62 108.112 -0.918 -0.918 448 1HD1 LEU 62 2HD1 LEU 62 108.398 1.964 1.964 449 2HD1 LEU 62 1HD1 LEU 62 109.045 1.384 1.384 450 3HD1 LEU 62 3HD1 LEU 62 107.377 1.028 1.028 451 1HD2 LEU 62 2HD2 LEU 62 110.981 -0.103 -0.103 452 2HD2 LEU 62 1HD2 LEU 62 110.294 -1.624 -1.624 453 3HD2 LEU 62 3HD2 LEU 62 110.293 -0.207 -0.207 454 H LEU 63 H LEU 63 110.471 0.071 0.071 455 HA LEU 63 HA LEU 63 113.078 0.868 0.868 456 1HB LEU 63 2HB LEU 63 111.593 0.391 0.391 457 2HB LEU 63 1HB LEU 63 113.333 0.654 0.654 458 HG LEU 63 HG LEU 63 111.857 2.532 2.532 459 1HD1 LEU 63 3HD1 LEU 63 111.239 2.174 2.174 460 2HD1 LEU 63 2HD1 LEU 63 111.483 3.830 3.830 461 3HD1 LEU 63 1HD1 LEU 63 110.234 2.828 2.828 462 1HD2 LEU 63 3HD2 LEU 63 114.315 2.611 2.611 463 2HD2 LEU 63 2HD2 LEU 63 113.446 4.096 4.096 464 3HD2 LEU 63 1HD2 LEU 63 113.868 2.964 2.964 465 H LEU 64 H LEU 64 112.292 -1.824 -1.824 466 HA LEU 64 HA LEU 64 114.862 -3.068 -3.068 467 1HB LEU 64 2HB LEU 64 112.168 -3.597 -3.597 468 2HB LEU 64 1HB LEU 64 113.001 -5.069 -5.069 469 HG LEU 64 HG LEU 64 114.708 -3.198 -3.198 470 1HD1 LEU 64 3HD1 LEU 64 112.432 -2.883 -2.883 471 2HD1 LEU 64 2HD1 LEU 64 112.469 -4.598 -4.598 472 3HD1 LEU 64 1HD1 LEU 64 113.682 -3.506 -3.506 473 1HD2 LEU 64 3HD2 LEU 64 113.971 -6.128 -6.128 474 2HD2 LEU 64 2HD2 LEU 64 115.379 -5.492 -5.492 475 3HD2 LEU 64 1HD2 LEU 64 115.250 -5.313 -5.313 476 H LEU 65 H LEU 65 111.977 -3.316 -3.316 477 HA LEU 65 HA LEU 65 112.722 -5.655 -5.655 478 1HB LEU 65 2HB LEU 65 110.441 -4.943 -4.943 479 2HB LEU 65 1HB LEU 65 110.872 -3.304 -3.304 480 HG LEU 65 HG LEU 65 111.624 -4.184 -4.184 481 1HD1 LEU 65 3HD1 LEU 65 112.041 -6.521 -6.521 482 2HD1 LEU 65 2HD1 LEU 65 110.296 -6.766 -6.766 483 3HD1 LEU 65 1HD1 LEU 65 111.209 -6.461 -6.461 484 1HD2 LEU 65 3HD2 LEU 65 108.864 -4.235 -4.235 485 2HD2 LEU 65 2HD2 LEU 65 109.509 -3.444 -3.444 486 3HD2 LEU 65 1HD2 LEU 65 109.088 -5.155 -5.155 487 H HIS 66 H HIS 66 113.002 -2.154 -2.154 488 HA HIS 66 HA HIS 66 114.498 -2.598 -2.598 489 1HB HIS 66 2HB HIS 66 113.034 -0.565 -0.565 490 2HB HIS 66 1HB HIS 66 114.677 0.047 0.047 491 HD1 HIS 66 HD1 HIS 66 112.323 1.169 1.169 492 HD2 HIS 66 HD2 HIS 66 115.034 -1.730 -1.730 493 HE1 HIS 66 HE1 HIS 66 112.338 1.249 1.249 494 H GLY 67 H GLY 67 115.302 -2.450 -2.450 495 1HA GLY 67 2HA GLY 67 117.512 -3.206 -3.206 496 2HA GLY 67 1HA GLY 67 118.156 -2.385 -2.385 497 H ALA 68 H ALA 68 116.249 -1.513 -1.513 498 HA ALA 68 HA ALA 68 117.422 1.182 1.182 499 1HB ALA 68 3HB ALA 68 115.145 -0.091 -0.091 500 2HB ALA 68 2HB ALA 68 116.095 0.167 0.167 501 3HB ALA 68 1HB ALA 68 115.658 1.535 1.535 502 H GLU 69 H GLU 69 117.645 1.074 1.074 503 HA GLU 69 HA GLU 69 120.299 -0.317 -0.317 504 1HB GLU 69 2HB GLU 69 119.203 2.318 2.318 505 2HB GLU 69 1HB GLU 69 120.451 1.571 1.571 506 1HG GLU 69 2HG GLU 69 120.984 1.547 1.547 507 2HG GLU 69 1HG GLU 69 120.969 3.145 3.145 508 HA PRO 70 HA PRO 70 117.191 -1.852 -1.852 509 1HB PRO 70 2HB PRO 70 117.013 -4.453 -4.453 510 2HB PRO 70 1HB PRO 70 115.923 -3.175 -3.175 511 1HG PRO 70 2HG PRO 70 118.334 -4.343 -4.343 512 2HG PRO 70 1HG PRO 70 116.771 -3.900 -3.900 513 1HD PRO 70 2HD PRO 70 118.972 -2.340 -2.340 514 2HD PRO 70 1HD PRO 70 117.322 -1.680 -1.680 515 H ASN 71 H ASN 71 120.285 -2.747 -2.747 516 HA ASN 71 HA ASN 71 120.882 -4.463 -4.463 517 1HB ASN 71 2HB ASN 71 121.375 -5.409 -5.409 518 2HB ASN 71 1HB ASN 71 122.263 -3.964 -3.964 519 1HD2 ASN 71 1HD2 ASN 71 123.019 -6.985 -6.985 520 2HD2 ASN 71 2HD2 ASN 71 124.423 -6.833 -6.833 521 H CYS 72 H CYS 72 123.001 -2.323 -2.323 522 HA CYS 72 HA CYS 72 124.745 -1.528 -1.528 523 1HB CYS 72 2HB CYS 72 123.854 -0.637 -0.637 524 2HB CYS 72 1HB CYS 72 124.303 0.742 0.742 525 HG CYS 72 HG CYS 72 126.588 0.075 0.075 526 H ALA 73 H ALA 73 124.780 0.073 0.073 527 HA ALA 73 HA ALA 73 122.176 1.468 1.468 528 1HB ALA 73 2HB ALA 73 122.776 -0.342 -0.342 529 2HB ALA 73 1HB ALA 73 124.313 0.454 0.454 530 3HB ALA 73 3HB ALA 73 122.800 1.226 1.226 531 H ASP 74 H ASP 74 123.314 3.083 3.083 532 HA ASP 74 HA ASP 74 124.850 5.017 5.017 533 1HB ASP 74 2HB ASP 74 122.601 5.213 5.213 534 2HB ASP 74 1HB ASP 74 123.871 5.824 5.824 535 HA PRO 75 HA PRO 75 128.461 4.195 4.195 536 1HB PRO 75 2HB PRO 75 129.844 6.502 6.502 537 2HB PRO 75 1HB PRO 75 129.676 5.201 5.201 538 1HG PRO 75 2HG PRO 75 128.193 7.771 7.771 539 2HG PRO 75 1HG PRO 75 128.779 6.927 6.927 540 1HD PRO 75 2HD PRO 75 126.181 6.869 6.869 541 2HD PRO 75 1HD PRO 75 126.950 5.555 5.555 542 H ALA 76 H ALA 76 126.357 6.902 6.902 543 HA ALA 76 HA ALA 76 127.657 8.122 8.122 544 1HB ALA 76 1HB ALA 76 125.141 8.223 8.223 545 2HB ALA 76 3HB ALA 76 124.866 8.382 8.382 546 3HB ALA 76 2HB ALA 76 125.947 9.502 9.502 547 H THR 77 H THR 77 124.563 6.376 6.376 548 HA THR 77 HA THR 77 125.669 5.056 5.056 549 HB THR 77 HB THR 77 123.239 5.064 5.064 550 HG1 THR 77 HG1 THR 77 121.844 5.637 5.637 551 1HG2 THR 77 2HG2 THR 77 125.094 6.944 6.944 552 2HG2 THR 77 1HG2 THR 77 123.967 7.887 7.887 553 3HG2 THR 77 3HG2 THR 77 123.434 7.176 7.176 554 H LEU 78 H LEU 78 125.676 4.093 4.093 555 HA LEU 78 HA LEU 78 125.151 2.132 2.132 556 1HB LEU 78 2HB LEU 78 125.745 1.548 1.548 557 2HB LEU 78 1HB LEU 78 124.869 0.254 0.254 558 HG LEU 78 HG LEU 78 127.531 1.462 1.462 559 1HD1 LEU 78 3HD1 LEU 78 126.556 -1.289 -1.289 560 2HD1 LEU 78 2HD1 LEU 78 128.138 -1.012 -1.012 561 3HD1 LEU 78 1HD1 LEU 78 127.745 -0.281 -0.281 562 1HD2 LEU 78 1HD2 LEU 78 125.480 0.091 0.091 563 2HD2 LEU 78 3HD2 LEU 78 126.809 1.137 1.137 564 3HD2 LEU 78 2HD2 LEU 78 127.111 -0.564 -0.564 565 H THR 79 H THR 79 122.801 3.784 3.784 566 HA THR 79 HA THR 79 120.676 2.046 2.046 567 HB THR 79 HB THR 79 120.776 4.664 4.664 568 HG1 THR 79 HG1 THR 79 120.058 4.120 4.120 569 1HG2 THR 79 3HG2 THR 79 118.556 2.928 2.928 570 2HG2 THR 79 2HG2 THR 79 118.314 4.239 4.239 571 3HG2 THR 79 1HG2 THR 79 118.543 4.600 4.600 572 H ARG 80 H ARG 80 120.489 0.156 0.156 573 HA ARG 80 HA ARG 80 120.633 0.183 0.183 574 1HB ARG 80 2HB ARG 80 120.558 -1.684 -1.684 575 2HB ARG 80 1HB ARG 80 119.287 -2.119 -2.119 576 1HG ARG 80 2HG ARG 80 121.193 -1.702 -1.702 577 2HG ARG 80 1HG ARG 80 122.254 -2.021 -2.021 578 1HD ARG 80 2HD ARG 80 121.229 -4.202 -4.202 579 2HD ARG 80 1HD ARG 80 120.010 -3.875 -3.875 580 HE ARG 80 HE ARG 80 121.633 -4.533 -4.533 581 1HH1 ARG 80 2HH1 ARG 80 123.273 -2.039 -2.039 582 2HH1 ARG 80 1HH1 ARG 80 124.815 -2.734 -2.734 583 1HH2 ARG 80 1HH2 ARG 80 123.572 -5.938 -5.938 584 2HH2 ARG 80 2HH2 ARG 80 124.984 -4.937 -4.937 585 HA PRO 81 HA PRO 81 116.403 1.022 1.022 586 1HB PRO 81 2HB PRO 81 115.837 -0.743 -0.743 587 2HB PRO 81 1HB PRO 81 116.874 0.679 0.679 588 1HG PRO 81 2HG PRO 81 117.638 -2.167 -2.167 589 2HG PRO 81 1HG PRO 81 118.346 -0.964 -0.964 590 1HD PRO 81 2HD PRO 81 119.461 -1.649 -1.649 591 2HD PRO 81 1HD PRO 81 119.642 -0.037 -0.037 592 H VAL 82 H VAL 82 117.404 -2.037 -2.037 593 HA VAL 82 HA VAL 82 114.874 -3.424 -3.424 594 HB VAL 82 HB VAL 82 117.460 -3.597 -3.597 595 1HG1 VAL 82 3HG1 VAL 82 115.551 -4.567 -4.567 596 2HG1 VAL 82 2HG1 VAL 82 115.180 -5.594 -5.594 597 3HG1 VAL 82 1HG1 VAL 82 116.701 -5.798 -5.798 598 1HG2 VAL 82 2HG2 VAL 82 116.705 -4.373 -4.373 599 2HG2 VAL 82 1HG2 VAL 82 118.232 -4.674 -4.674 600 3HG2 VAL 82 3HG2 VAL 82 116.918 -5.844 -5.844 601 H HIS 83 H HIS 83 116.669 -1.467 -1.467 602 HA HIS 83 HA HIS 83 114.946 -1.693 -1.693 603 1HB HIS 83 2HB HIS 83 116.547 0.642 0.642 604 2HB HIS 83 1HB HIS 83 115.807 0.642 0.642 605 HD2 HIS 83 HD2 HIS 83 117.549 -0.349 -0.349 606 HE1 HIS 83 HE1 HIS 83 119.894 -2.785 -2.785 607 HE2 HIS 83 HE2 HIS 83 119.583 -1.938 -1.938 608 H ASP 84 H ASP 84 114.827 0.693 0.693 609 HA ASP 84 HA ASP 84 112.667 2.280 2.280 610 1HB ASP 84 2HB ASP 84 113.369 0.947 0.947 611 2HB ASP 84 1HB ASP 84 112.347 2.374 2.374 612 H ALA 85 H ALA 85 112.326 -0.850 -0.850 613 HA ALA 85 HA ALA 85 109.514 -0.949 -0.949 614 1HB ALA 85 1HB ALA 85 111.149 -2.506 -2.506 615 2HB ALA 85 3HB ALA 85 111.469 -3.212 -3.212 616 3HB ALA 85 2HB ALA 85 109.871 -3.374 -3.374 617 H ALA 86 H ALA 86 111.493 -2.674 -2.674 618 HA ALA 86 HA ALA 86 109.333 -3.283 -3.283 619 1HB ALA 86 2HB ALA 86 112.147 -3.667 -3.667 620 2HB ALA 86 1HB ALA 86 111.843 -3.028 -3.028 621 3HB ALA 86 3HB ALA 86 111.032 -4.501 -4.501 622 H ARG 87 H ARG 87 111.306 -0.390 -0.390 623 HA ARG 87 HA ARG 87 110.875 0.783 0.783 624 1HB ARG 87 2HB ARG 87 112.400 1.419 1.419 625 2HB ARG 87 1HB ARG 87 111.000 2.340 2.340 626 1HG ARG 87 2HG ARG 87 111.933 2.640 2.640 627 2HG ARG 87 1HG ARG 87 112.800 3.480 3.480 628 1HD ARG 87 2HD ARG 87 109.923 3.780 3.780 629 2HD ARG 87 1HD ARG 87 110.456 4.369 4.369 630 HE ARG 87 HE ARG 87 112.029 5.857 5.857 631 1HH1 ARG 87 2HH1 ARG 87 112.258 4.071 4.071 632 2HH1 ARG 87 1HH1 ARG 87 111.475 5.066 5.066 633 1HH2 ARG 87 1HH2 ARG 87 109.995 7.148 7.148 634 2HH2 ARG 87 2HH2 ARG 87 110.195 6.809 6.809 635 H GLU 88 H GLU 88 108.837 0.536 0.536 636 HA GLU 88 HA GLU 88 106.772 2.273 2.273 637 1HB GLU 88 2HB GLU 88 107.756 1.790 1.790 638 2HB GLU 88 1HB GLU 88 105.997 1.692 1.692 639 1HG GLU 88 2HG GLU 88 106.357 3.898 3.898 640 2HG GLU 88 1HG GLU 88 107.797 4.021 4.021 641 H GLY 89 H GLY 89 107.518 -0.972 -0.972 642 1HA GLY 89 2HA GLY 89 106.313 -2.900 -2.900 643 2HA GLY 89 1HA GLY 89 104.905 -1.873 -1.873 644 H PHE 90 H PHE 90 106.817 -1.809 -1.809 645 HA PHE 90 HA PHE 90 104.385 -2.627 -2.627 646 1HB PHE 90 2HB PHE 90 106.141 -0.546 -0.546 647 2HB PHE 90 1HB PHE 90 106.803 -1.703 -1.703 648 HD1 PHE 90 HD1 PHE 90 105.274 -2.711 -2.711 649 HD2 PHE 90 HD2 PHE 90 104.117 0.624 0.624 650 HE1 PHE 90 HE1 PHE 90 103.449 -2.188 -2.188 651 HE2 PHE 90 HE2 PHE 90 102.290 1.152 1.152 652 HZ PHE 90 HZ PHE 90 101.960 -0.253 -0.253 653 H LEU 91 H LEU 91 104.587 -4.914 -4.914 654 HA LEU 91 HA LEU 91 106.910 -6.489 -6.489 655 1HB LEU 91 2HB LEU 91 104.355 -6.864 -6.864 656 2HB LEU 91 1HB LEU 91 104.257 -7.599 -7.599 657 HG LEU 91 HG LEU 91 104.914 -9.330 -9.330 658 1HD1 LEU 91 1HD1 LEU 91 106.261 -8.868 -8.868 659 2HD1 LEU 91 3HD1 LEU 91 107.588 -8.576 -8.576 660 3HD1 LEU 91 2HD1 LEU 91 106.770 -10.138 -10.138 661 1HD2 LEU 91 1HD2 LEU 91 106.961 -7.308 -7.308 662 2HD2 LEU 91 3HD2 LEU 91 105.671 -8.052 -8.052 663 3HD2 LEU 91 2HD2 LEU 91 107.047 -9.019 -9.019 664 H ASP 92 H ASP 92 104.333 -5.410 -5.410 665 HA ASP 92 HA ASP 92 104.826 -6.891 -6.891 666 1HB ASP 92 2HB ASP 92 104.321 -3.903 -3.903 667 2HB ASP 92 1HB ASP 92 103.950 -4.912 -4.912 668 H THR 93 H THR 93 106.562 -3.953 -3.953 669 HA THR 93 HA THR 93 108.378 -3.783 -3.783 670 HB THR 93 HB THR 93 108.527 -2.961 -2.961 671 HG1 THR 93 HG1 THR 93 106.865 -2.057 -2.057 672 1HG2 THR 93 2HG2 THR 93 110.759 -3.117 -3.117 673 2HG2 THR 93 1HG2 THR 93 110.143 -1.701 -1.701 674 3HG2 THR 93 3HG2 THR 93 110.409 -1.643 -1.643 675 H LEU 94 H LEU 94 108.720 -5.365 -5.365 676 HA LEU 94 HA LEU 94 111.356 -6.317 -6.317 677 1HB LEU 94 2HB LEU 94 108.970 -6.746 -6.746 678 2HB LEU 94 1HB LEU 94 109.641 -8.327 -8.327 679 HG LEU 94 HG LEU 94 111.820 -7.648 -7.648 680 1HD1 LEU 94 2HD1 LEU 94 111.150 -5.107 -5.107 681 2HD1 LEU 94 1HD1 LEU 94 110.645 -5.153 -5.153 682 3HD1 LEU 94 3HD1 LEU 94 112.317 -5.510 -5.510 683 1HD2 LEU 94 2HD2 LEU 94 109.318 -7.739 -7.739 684 2HD2 LEU 94 1HD2 LEU 94 110.855 -8.545 -8.545 685 3HD2 LEU 94 3HD2 LEU 94 110.605 -6.883 -6.883 686 H VAL 95 H VAL 95 108.437 -8.174 -8.174 687 HA VAL 95 HA VAL 95 109.599 -10.435 -10.435 688 HB VAL 95 HB VAL 95 107.205 -8.753 -8.753 689 1HG1 VAL 95 1HG1 VAL 95 107.877 -10.183 -10.183 690 2HG1 VAL 95 3HG1 VAL 95 107.872 -11.592 -11.592 691 3HG1 VAL 95 2HG1 VAL 95 106.365 -10.740 -10.740 692 1HG2 VAL 95 2HG2 VAL 95 107.609 -11.227 -11.227 693 2HG2 VAL 95 1HG2 VAL 95 107.067 -9.637 -9.637 694 3HG2 VAL 95 3HG2 VAL 95 106.023 -10.626 -10.626 695 H VAL 96 H VAL 96 108.861 -7.379 -7.379 696 HA VAL 96 HA VAL 96 109.888 -8.040 -8.040 697 HB VAL 96 HB VAL 96 109.943 -5.409 -5.409 698 1HG1 VAL 96 3HG1 VAL 96 111.034 -6.029 -6.029 699 2HG1 VAL 96 2HG1 VAL 96 109.468 -5.314 -5.314 700 3HG1 VAL 96 1HG1 VAL 96 110.634 -4.416 -4.416 701 1HG2 VAL 96 2HG2 VAL 96 107.781 -7.055 -7.055 702 2HG2 VAL 96 1HG2 VAL 96 107.692 -5.593 -5.593 703 3HG2 VAL 96 3HG2 VAL 96 107.805 -5.471 -5.471 704 H LEU 97 H LEU 97 111.592 -6.409 -6.409 705 HA LEU 97 HA LEU 97 114.131 -6.087 -6.087 706 1HB LEU 97 2HB LEU 97 112.922 -6.376 -6.376 707 2HB LEU 97 1HB LEU 97 114.645 -6.741 -6.741 708 HG LEU 97 HG LEU 97 114.716 -4.502 -4.502 709 1HD1 LEU 97 2HD1 LEU 97 112.082 -4.502 -4.502 710 2HD1 LEU 97 1HD1 LEU 97 112.555 -3.720 -3.720 711 3HD1 LEU 97 3HD1 LEU 97 113.000 -2.997 -2.997 712 1HD2 LEU 97 1HD2 LEU 97 115.021 -5.164 -5.164 713 2HD2 LEU 97 3HD2 LEU 97 115.985 -4.071 -4.071 714 3HD2 LEU 97 2HD2 LEU 97 114.524 -3.483 -3.483 715 H HIS 98 H HIS 98 113.092 -8.892 -8.892 716 HA HIS 98 HA HIS 98 115.462 -10.451 -10.451 717 1HB HIS 98 2HB HIS 98 113.692 -10.505 -10.505 718 2HB HIS 98 1HB HIS 98 112.794 -11.565 -11.565 719 HD1 HIS 98 HD1 HIS 98 113.608 -13.027 -13.027 720 HD2 HIS 98 HD2 HIS 98 116.301 -12.489 -12.489 721 HE1 HIS 98 HE1 HIS 98 115.364 -14.832 -14.832 722 H ARG 99 H ARG 99 112.132 -10.503 -10.503 723 HA ARG 99 HA ARG 99 112.400 -12.776 -12.776 724 1HB ARG 99 2HB ARG 99 110.319 -11.594 -11.594 725 2HB ARG 99 1HB ARG 99 110.667 -10.328 -10.328 726 1HG ARG 99 2HG ARG 99 110.877 -12.647 -12.647 727 2HG ARG 99 1HG ARG 99 109.533 -12.999 -12.999 728 1HD ARG 99 2HD ARG 99 108.190 -11.704 -11.704 729 2HD ARG 99 1HD ARG 99 109.216 -10.305 -10.305 730 HE ARG 99 HE ARG 99 110.302 -12.128 -12.128 731 1HH1 ARG 99 1HH2 ARG 99 107.550 -10.425 -10.425 732 2HH1 ARG 99 2HH2 ARG 99 108.138 -9.227 -9.227 733 1HH2 ARG 99 2HH1 ARG 99 111.470 -10.103 -10.103 734 2HH2 ARG 99 1HH1 ARG 99 110.361 -9.041 -9.041 735 H ALA 100 H ALA 100 113.940 -9.765 -9.765 736 HA ALA 100 HA ALA 100 114.406 -10.324 -10.324 737 1HB ALA 100 1HB ALA 100 112.807 -8.381 -8.381 738 2HB ALA 100 3HB ALA 100 114.342 -7.533 -7.533 739 3HB ALA 100 2HB ALA 100 113.851 -8.142 -8.142 740 H GLY 101 H GLY 101 115.618 -8.175 -8.175 741 1HA GLY 101 2HA GLY 101 118.251 -9.327 -9.327 742 2HA GLY 101 1HA GLY 101 118.220 -7.851 -7.851 743 H ALA 102 H ALA 102 118.495 -9.079 -9.079 744 HA ALA 102 HA ALA 102 118.882 -6.434 -6.434 745 1HB ALA 102 3HB ALA 102 116.406 -6.545 -6.545 746 2HB ALA 102 2HB ALA 102 116.377 -7.975 -7.975 747 3HB ALA 102 1HB ALA 102 116.877 -6.421 -6.421 748 H ARG 103 H ARG 103 120.190 -6.679 -6.679 749 HA ARG 103 HA ARG 103 120.580 -9.415 -9.415 750 1HB ARG 103 2HB ARG 103 122.545 -8.228 -8.228 751 2HB ARG 103 1HB ARG 103 122.107 -6.795 -6.795 752 1HG ARG 103 2HG ARG 103 122.944 -7.646 -7.646 753 2HG ARG 103 1HG ARG 103 122.312 -9.258 -9.258 754 1HD ARG 103 2HD ARG 103 124.166 -9.761 -9.761 755 2HD ARG 103 1HD ARG 103 124.749 -8.086 -8.086 756 HE ARG 103 HE ARG 103 124.460 -9.410 -9.410 757 1HH1 ARG 103 1HH2 ARG 103 126.463 -10.647 -10.647 758 2HH1 ARG 103 2HH2 ARG 103 127.945 -9.992 -9.992 759 1HH2 ARG 103 2HH1 ARG 103 126.382 -7.716 -7.716 760 2HH2 ARG 103 1HH1 ARG 103 127.898 -8.337 -8.337 761 H LEU 104 H LEU 104 118.487 -9.278 -9.278 762 HA LEU 104 HA LEU 104 118.018 -7.267 -7.267 763 1HB LEU 104 2HB LEU 104 117.008 -10.120 -10.120 764 2HB LEU 104 1HB LEU 104 116.253 -8.840 -8.840 765 HG LEU 104 HG LEU 104 116.610 -7.781 -7.781 766 1HD1 LEU 104 3HD1 LEU 104 116.535 -10.575 -10.575 767 2HD1 LEU 104 2HD1 LEU 104 114.888 -10.063 -10.063 768 3HD1 LEU 104 1HD1 LEU 104 116.234 -9.427 -9.427 769 1HD2 LEU 104 3HD2 LEU 104 114.659 -7.900 -7.900 770 2HD2 LEU 104 2HD2 LEU 104 114.443 -7.185 -7.185 771 3HD2 LEU 104 1HD2 LEU 104 113.940 -8.849 -8.849 772 H ASP 105 H ASP 105 120.464 -7.557 -7.557 773 HA ASP 105 HA ASP 105 120.401 -8.959 -8.959 774 1HB ASP 105 2HB ASP 105 120.740 -10.838 -10.838 775 2HB ASP 105 1HB ASP 105 122.072 -9.995 -9.995 776 H VAL 106 H VAL 106 121.026 -6.244 -6.244 777 HA VAL 106 HA VAL 106 123.934 -6.045 -6.045 778 HB VAL 106 HB VAL 106 122.712 -5.150 -5.150 779 1HG1 VAL 106 1HG1 VAL 106 122.110 -2.990 -2.990 780 2HG1 VAL 106 3HG1 VAL 106 122.054 -2.756 -2.756 781 3HG1 VAL 106 2HG1 VAL 106 120.948 -3.890 -3.890 782 1HG2 VAL 106 3HG2 VAL 106 124.992 -4.287 -4.287 783 2HG2 VAL 106 2HG2 VAL 106 124.789 -4.334 -4.334 784 3HG2 VAL 106 1HG2 VAL 106 124.283 -2.910 -2.910 785 H ARG 107 H ARG 107 124.127 -3.500 -3.500 786 HA ARG 107 HA ARG 107 122.283 -3.347 -3.347 787 1HB ARG 107 2HB ARG 107 125.267 -3.432 -3.432 788 2HB ARG 107 1HB ARG 107 124.564 -2.472 -2.472 789 1HG ARG 107 2HG ARG 107 123.459 -4.364 -4.364 790 2HG ARG 107 1HG ARG 107 123.759 -5.342 -5.342 791 1HD ARG 107 2HD ARG 107 126.269 -4.997 -4.997 792 2HD ARG 107 1HD ARG 107 125.749 -4.449 -4.449 793 HE ARG 107 HE ARG 107 124.602 -7.006 -7.006 794 1HH1 ARG 107 2HH1 ARG 107 127.485 -5.758 -5.758 795 2HH1 ARG 107 1HH1 ARG 107 127.567 -6.894 -6.894 796 1HH2 ARG 107 1HH2 ARG 107 124.468 -8.295 -8.295 797 2HH2 ARG 107 2HH2 ARG 107 125.862 -8.329 -8.329 798 H ASP 108 H ASP 108 121.799 -1.206 -1.206 799 HA ASP 108 HA ASP 108 122.185 0.904 0.904 800 1HB ASP 108 2HB ASP 108 120.144 0.421 0.421 801 2HB ASP 108 1HB ASP 108 121.081 1.122 1.122 802 H ALA 109 H ALA 109 124.706 0.209 0.209 803 HA ALA 109 HA ALA 109 126.751 1.041 1.041 804 1HB ALA 109 2HB ALA 109 124.859 3.362 3.362 805 2HB ALA 109 1HB ALA 109 126.433 3.566 3.566 806 3HB ALA 109 3HB ALA 109 126.335 3.119 3.119 807 H TRP 110 H TRP 110 124.422 2.679 2.679 808 HA TRP 110 HA TRP 110 125.733 2.625 2.625 809 1HB TRP 110 2HB TRP 110 122.847 1.921 1.921 810 2HB TRP 110 1HB TRP 110 123.444 2.452 2.452 811 HD1 TRP 110 HD1 TRP 110 121.344 4.262 4.262 812 HE1 TRP 110 HE1 TRP 110 121.771 6.628 6.628 813 HE3 TRP 110 HE3 TRP 110 126.275 3.843 3.843 814 HZ2 TRP 110 HZ2 TRP 110 123.895 8.143 8.143 815 HZ3 TRP 110 HZ3 TRP 110 127.455 5.769 5.769 816 HH2 TRP 110 HH2 TRP 110 126.280 7.917 7.917 817 H GLY 111 H GLY 111 123.768 -0.106 -0.106 818 1HA GLY 111 2HA GLY 111 125.190 -2.297 -2.297 819 2HA GLY 111 1HA GLY 111 124.835 -1.828 -1.828 820 H ARG 112 H ARG 112 122.190 -0.776 -0.776 821 HA ARG 112 HA ARG 112 120.577 -3.060 -3.060 822 1HB ARG 112 2HB ARG 112 118.726 -1.471 -1.471 823 2HB ARG 112 1HB ARG 112 119.914 -0.769 -0.769 824 1HG ARG 112 2HG ARG 112 120.699 -0.329 -0.329 825 2HG ARG 112 1HG ARG 112 119.066 0.275 0.275 826 1HD ARG 112 2HD ARG 112 121.508 0.971 0.971 827 2HD ARG 112 1HD ARG 112 120.712 2.042 2.042 828 HE ARG 112 HE ARG 112 119.795 1.582 1.582 829 1HH1 ARG 112 2HH1 ARG 112 118.934 2.804 2.804 830 2HH1 ARG 112 1HH1 ARG 112 117.231 2.845 2.845 831 1HH2 ARG 112 1HH2 ARG 112 117.478 1.174 1.174 832 2HH2 ARG 112 2HH2 ARG 112 116.408 1.924 1.924 833 H LEU 113 H LEU 113 119.048 -4.113 -4.113 834 HA LEU 113 HA LEU 113 120.022 -4.258 -4.258 835 1HB LEU 113 2HB LEU 113 118.535 -6.099 -6.099 836 2HB LEU 113 1HB LEU 113 118.668 -6.452 -6.452 837 HG LEU 113 HG LEU 113 120.962 -6.091 -6.091 838 1HD1 LEU 113 2HD1 LEU 113 119.386 -8.350 -8.350 839 2HD1 LEU 113 1HD1 LEU 113 120.984 -8.558 -8.558 840 3HD1 LEU 113 3HD1 LEU 113 120.821 -8.321 -8.321 841 1HD2 LEU 113 2HD2 LEU 113 120.871 -6.436 -6.436 842 2HD2 LEU 113 1HD2 LEU 113 121.733 -5.209 -5.209 843 3HD2 LEU 113 3HD2 LEU 113 122.295 -6.881 -6.881 844 HA PRO 114 HA PRO 114 116.224 -2.749 -2.749 845 1HB PRO 114 2HB PRO 114 115.587 -4.601 -4.601 846 2HB PRO 114 1HB PRO 114 116.880 -3.402 -3.402 847 1HG PRO 114 2HG PRO 114 117.071 -6.269 -6.269 848 2HG PRO 114 1HG PRO 114 118.085 -5.350 -5.350 849 1HD PRO 114 2HD PRO 114 118.885 -5.863 -5.863 850 2HD PRO 114 1HD PRO 114 119.285 -4.332 -4.332 851 H VAL 115 H VAL 115 116.330 -6.096 -6.096 852 HA VAL 115 HA VAL 115 113.429 -6.430 -6.430 853 HB VAL 115 HB VAL 115 114.859 -8.361 -8.361 854 1HG1 VAL 115 2HG1 VAL 115 116.254 -7.341 -7.341 855 2HG1 VAL 115 1HG1 VAL 115 116.404 -9.019 -9.019 856 3HG1 VAL 115 3HG1 VAL 115 116.952 -7.723 -7.723 857 1HG2 VAL 115 2HG2 VAL 115 112.864 -8.286 -8.286 858 2HG2 VAL 115 1HG2 VAL 115 113.757 -9.758 -9.758 859 3HG2 VAL 115 3HG2 VAL 115 114.194 -8.803 -8.803 860 H ASP 116 H ASP 116 115.999 -5.409 -5.409 861 HA ASP 116 HA ASP 116 114.608 -5.595 -5.595 862 1HB ASP 116 2HB ASP 116 117.076 -4.822 -4.822 863 2HB ASP 116 1HB ASP 116 116.387 -3.270 -3.270 864 H LEU 117 H LEU 117 114.866 -2.821 -2.821 865 HA LEU 117 HA LEU 117 113.244 -0.981 -0.981 866 1HB LEU 117 2HB LEU 117 113.867 -1.477 -1.477 867 2HB LEU 117 1HB LEU 117 112.856 -0.123 -0.123 868 HG LEU 117 HG LEU 117 115.184 -0.200 -0.200 869 1HD1 LEU 117 1HD1 LEU 117 115.723 -1.162 -1.162 870 2HD1 LEU 117 3HD1 LEU 117 116.317 0.498 0.498 871 3HD1 LEU 117 2HD1 LEU 117 116.892 -0.686 -0.686 872 1HD2 LEU 117 3HD2 LEU 117 113.743 1.654 1.654 873 2HD2 LEU 117 2HD2 LEU 117 114.376 1.927 1.927 874 3HD2 LEU 117 1HD2 LEU 117 115.453 2.015 2.015 875 H ALA 118 H ALA 118 112.234 -3.077 -3.077 876 HA ALA 118 HA ALA 118 109.476 -2.555 -2.555 877 1HB ALA 118 1HB ALA 118 111.329 -4.519 -4.519 878 2HB ALA 118 3HB ALA 118 109.851 -5.325 -5.325 879 3HB ALA 118 2HB ALA 118 109.774 -4.025 -4.025 880 H GLU 119 H GLU 119 111.105 -5.249 -5.249 881 HA GLU 119 HA GLU 119 108.933 -6.338 -6.338 882 1HB GLU 119 2HB GLU 119 111.737 -6.485 -6.485 883 2HB GLU 119 1HB GLU 119 111.314 -6.089 -6.089 884 1HG GLU 119 2HG GLU 119 109.477 -8.077 -8.077 885 2HG GLU 119 1HG GLU 119 111.119 -8.616 -8.616 886 H GLU 120 H GLU 120 110.892 -3.505 -3.505 887 HA GLU 120 HA GLU 120 109.388 -3.072 -3.072 888 1HB GLU 120 2HB GLU 120 111.530 -1.640 -1.640 889 2HB GLU 120 1HB GLU 120 110.805 -0.905 -0.905 890 1HG GLU 120 2HG GLU 120 111.583 -2.626 -2.626 891 2HG GLU 120 1HG GLU 120 111.882 -3.721 -3.721 892 H LEU 121 H LEU 121 109.192 -1.969 -1.969 893 HA LEU 121 HA LEU 121 107.414 0.286 0.286 894 1HB LEU 121 2HB LEU 121 108.256 -1.165 -1.165 895 2HB LEU 121 1HB LEU 121 107.234 0.272 0.272 896 HG LEU 121 HG LEU 121 109.784 0.418 0.418 897 1HD1 LEU 121 3HD1 LEU 121 110.120 -0.702 -0.702 898 2HD1 LEU 121 2HD1 LEU 121 109.825 0.927 0.927 899 3HD1 LEU 121 1HD1 LEU 121 111.175 0.623 0.623 900 1HD2 LEU 121 1HD2 LEU 121 108.155 2.265 2.265 901 2HD2 LEU 121 3HD2 LEU 121 108.325 2.343 2.343 902 3HD2 LEU 121 2HD2 LEU 121 109.700 2.724 2.724 903 H GLY 122 H GLY 122 106.923 -2.984 -2.984 904 1HA GLY 122 2HA GLY 122 104.880 -4.139 -4.139 905 2HA GLY 122 1HA GLY 122 104.025 -2.686 -2.686 906 H HIS 123 H HIS 123 106.593 -3.688 -3.688 907 HA HIS 123 HA HIS 123 104.619 -4.459 -4.459 908 1HB HIS 123 2HB HIS 123 107.619 -3.966 -3.966 909 2HB HIS 123 1HB HIS 123 106.542 -4.070 -4.070 910 HD1 HIS 123 HD1 HIS 123 107.794 -1.503 -1.503 911 HD2 HIS 123 HD2 HIS 123 104.632 -2.057 -2.057 912 HE1 HIS 123 HE1 HIS 123 106.906 0.804 0.804 913 H ARG 124 H ARG 124 104.672 -6.388 -6.388 914 HA ARG 124 HA ARG 124 106.491 -8.417 -8.417 915 1HB ARG 124 2HB ARG 124 103.511 -8.403 -8.403 916 2HB ARG 124 1HB ARG 124 104.366 -9.910 -9.910 917 1HG ARG 124 2HG ARG 124 105.266 -7.930 -7.930 918 2HG ARG 124 1HG ARG 124 103.503 -7.941 -7.941 919 1HD ARG 124 2HD ARG 124 105.132 -10.493 -10.493 920 2HD ARG 124 1HD ARG 124 104.585 -9.603 -9.603 921 HE ARG 124 HE ARG 124 102.305 -9.807 -9.807 922 1HH1 ARG 124 2HH1 ARG 124 104.093 -11.617 -11.617 923 2HH1 ARG 124 1HH1 ARG 124 103.211 -13.088 -13.088 924 1HH2 ARG 124 1HH2 ARG 124 101.383 -11.877 -11.877 925 2HH2 ARG 124 2HH2 ARG 124 101.683 -13.235 -13.235 926 H ASP 125 H ASP 125 104.070 -8.426 -8.426 927 HA ASP 125 HA ASP 125 104.992 -10.606 -10.606 928 1HB ASP 125 2HB ASP 125 103.991 -7.940 -7.940 929 2HB ASP 125 1HB ASP 125 103.902 -9.486 -9.486 930 H VAL 126 H VAL 126 106.226 -7.270 -7.270 931 HA VAL 126 HA VAL 126 108.207 -7.869 -7.869 932 HB VAL 126 HB VAL 126 108.344 -5.434 -5.434 933 1HG1 VAL 126 2HG1 VAL 126 108.780 -6.179 -6.179 934 2HG1 VAL 126 1HG1 VAL 126 108.489 -4.496 -4.496 935 3HG1 VAL 126 3HG1 VAL 126 109.871 -5.354 -5.354 936 1HG2 VAL 126 2HG2 VAL 126 106.052 -6.207 -6.207 937 2HG2 VAL 126 1HG2 VAL 126 105.999 -5.415 -5.415 938 3HG2 VAL 126 3HG2 VAL 126 106.522 -4.517 -4.517 939 H ALA 127 H ALA 127 108.219 -7.451 -7.451 940 HA ALA 127 HA ALA 127 111.070 -7.596 -7.596 941 1HB ALA 127 1HB ALA 127 109.163 -6.898 -6.898 942 2HB ALA 127 3HB ALA 127 108.989 -8.623 -8.623 943 3HB ALA 127 2HB ALA 127 110.510 -7.807 -7.807 944 H ARG 128 H ARG 128 108.515 -10.079 -10.079 945 HA ARG 128 HA ARG 128 110.292 -12.306 -12.306 946 1HB ARG 128 2HB ARG 128 107.481 -11.770 -11.770 947 2HB ARG 128 1HB ARG 128 108.056 -13.271 -13.271 948 1HG ARG 128 2HG ARG 128 108.186 -14.313 -14.313 949 2HG ARG 128 1HG ARG 128 108.969 -12.928 -12.928 950 1HD ARG 128 2HD ARG 128 106.930 -12.931 -12.931 951 2HD ARG 128 1HD ARG 128 106.520 -11.875 -11.875 952 HE ARG 128 HE ARG 128 106.125 -14.628 -14.628 953 1HH1 ARG 128 2HH1 ARG 128 104.186 -12.479 -12.479 954 2HH1 ARG 128 1HH1 ARG 128 102.835 -12.859 -12.859 955 1HH2 ARG 128 1HH2 ARG 128 104.648 -14.954 -14.954 956 2HH2 ARG 128 2HH2 ARG 128 103.098 -14.256 -14.256 957 H TYR 129 H TYR 129 108.911 -10.925 -10.925 958 HA TYR 129 HA TYR 129 109.962 -12.840 -12.840 959 1HB TYR 129 2HB TYR 129 108.266 -10.975 -10.975 960 2HB TYR 129 1HB TYR 129 109.628 -9.856 -9.856 961 HD1 TYR 129 HD1 TYR 129 111.587 -10.552 -10.552 962 HD2 TYR 129 HD2 TYR 129 107.550 -12.001 -12.001 963 HE1 TYR 129 HE1 TYR 129 111.955 -11.144 -11.144 964 HE2 TYR 129 HE2 TYR 129 107.920 -12.591 -12.591 965 HH TYR 129 HH TYR 129 111.091 -12.448 -12.448 966 H LEU 130 H LEU 130 111.371 -9.859 -9.859 967 HA LEU 130 HA LEU 130 113.813 -9.946 -9.946 968 1HB LEU 130 2HB LEU 130 112.934 -8.673 -8.673 969 2HB LEU 130 1HB LEU 130 114.557 -8.441 -8.441 970 HG LEU 130 HG LEU 130 111.940 -7.672 -7.672 971 1HD1 LEU 130 2HD1 LEU 130 114.319 -6.150 -6.150 972 2HD1 LEU 130 1HD1 LEU 130 113.113 -5.411 -5.411 973 3HD1 LEU 130 3HD1 LEU 130 112.639 -6.041 -6.041 974 1HD2 LEU 130 1HD2 LEU 130 114.775 -7.751 -7.751 975 2HD2 LEU 130 3HD2 LEU 130 113.331 -8.469 -8.469 976 3HD2 LEU 130 2HD2 LEU 130 113.534 -6.717 -6.717 977 H ARG 131 H ARG 131 112.921 -11.122 -11.122 978 HA ARG 131 HA ARG 131 115.477 -12.059 -12.059 979 1HB ARG 131 2HB ARG 131 112.792 -12.094 -12.094 980 2HB ARG 131 1HB ARG 131 113.309 -13.781 -13.781 981 1HG ARG 131 2HG ARG 131 115.491 -12.777 -12.777 982 2HG ARG 131 1HG ARG 131 114.387 -11.484 -11.484 983 1HD ARG 131 2HD ARG 131 114.097 -12.931 -12.931 984 2HD ARG 131 1HD ARG 131 112.844 -13.553 -13.553 985 HE ARG 131 HE ARG 131 114.122 -15.525 -15.525 986 1HH1 ARG 131 1HH2 ARG 131 116.094 -12.987 -12.987 987 2HH1 ARG 131 2HH2 ARG 131 117.581 -13.830 -13.830 988 1HH2 ARG 131 2HH1 ARG 131 116.089 -16.534 -16.534 989 2HH2 ARG 131 1HH1 ARG 131 117.581 -15.832 -15.832 990 H ALA 132 H ALA 132 113.272 -13.333 -13.333 991 HA ALA 132 HA ALA 132 114.395 -16.041 -16.041 992 1HB ALA 132 3HB ALA 132 112.022 -15.012 -15.012 993 2HB ALA 132 2HB ALA 132 112.815 -14.929 -14.929 994 3HB ALA 132 1HB ALA 132 112.649 -16.480 -16.480 995 H ALA 133 H ALA 133 114.497 -13.220 -13.220 996 HA ALA 133 HA ALA 133 116.569 -14.479 -14.479 997 1HB ALA 133 1HB ALA 133 114.802 -12.087 -12.087 998 2HB ALA 133 3HB ALA 133 116.315 -11.947 -11.947 999 3HB ALA 133 2HB ALA 133 115.166 -13.221 -13.221 1000 H ALA 134 H ALA 134 116.458 -12.473 -12.473 1001 HA ALA 134 HA ALA 134 119.192 -11.394 -11.394 1002 1HB ALA 134 2HB ALA 134 117.129 -10.018 -10.018 1003 2HB ALA 134 1HB ALA 134 117.334 -10.784 -10.784 1004 3HB ALA 134 3HB ALA 134 118.617 -9.770 -9.770 1005 H GLY 135 H GLY 135 117.437 -12.672 -12.672 1006 1HA GLY 135 2HA GLY 135 118.131 -14.207 -14.207 1007 2HA GLY 135 1HA GLY 135 119.363 -14.761 -14.761 1008 H GLY 136 H GLY 136 120.841 -14.845 -14.845 1009 1HA GLY 136 2HA GLY 136 122.496 -12.512 -12.512 1010 2HA GLY 136 1HA GLY 136 121.515 -12.666 -12.666 1011 H THR 137 H THR 137 124.109 -14.100 -14.100 1012 HA THR 137 HA THR 137 124.434 -16.359 -16.359 1013 HB THR 137 HB THR 137 126.222 -16.984 -16.984 1014 HG1 THR 137 HG1 THR 137 125.924 -14.314 -14.314 1015 1HG2 THR 137 3HG2 THR 137 123.626 -16.989 -16.989 1016 2HG2 THR 137 2HG2 THR 137 124.185 -15.893 -15.893 1017 3HG2 THR 137 1HG2 THR 137 124.853 -17.522 -17.522 1018 H ARG 138 H ARG 138 124.890 -13.351 -13.351 1019 HA ARG 138 HA ARG 138 127.710 -13.626 -13.626 1020 1HB ARG 138 2HB ARG 138 126.774 -11.723 -11.723 1021 2HB ARG 138 1HB ARG 138 126.155 -11.056 -11.056 1022 1HG ARG 138 2HG ARG 138 128.971 -11.970 -11.970 1023 2HG ARG 138 1HG ARG 138 128.661 -10.568 -10.568 1024 1HD ARG 138 2HD ARG 138 128.640 -9.282 -9.282 1025 2HD ARG 138 1HD ARG 138 127.194 -10.155 -10.155 1026 HE ARG 138 HE ARG 138 129.758 -11.546 -11.546 1027 1HH1 ARG 138 1HH2 ARG 138 126.781 -11.065 -11.065 1028 2HH1 ARG 138 2HH2 ARG 138 127.310 -10.747 -10.747 1029 1HH2 ARG 138 2HH1 ARG 138 130.658 -10.477 -10.477 1030 2HH2 ARG 138 1HH1 ARG 138 129.504 -10.410 -10.410 1031 H GLY 139 H GLY 139 126.443 -15.033 -15.033 1032 1HA GLY 139 2HA GLY 139 126.465 -13.904 -13.904 1033 2HA GLY 139 1HA GLY 139 124.823 -13.595 -13.595 1034 H SER 140 H SER 140 124.989 -15.190 -15.190 1035 HA SER 140 HA SER 140 124.347 -17.309 -17.309 1036 1HB SER 140 2HB SER 140 123.558 -17.777 -17.777 1037 2HB SER 140 1HB SER 140 122.830 -18.491 -18.491 1038 HG SER 140 HG SER 140 121.531 -16.807 -16.807 1039 H ASN 141 H ASN 141 124.811 -19.727 -19.727 1040 HA ASN 141 HA ASN 141 127.592 -20.045 -20.045 1041 1HB ASN 141 2HB ASN 141 125.803 -21.191 -21.191 1042 2HB ASN 141 1HB ASN 141 126.534 -22.470 -22.470 1043 1HD2 ASN 141 1HD2 ASN 141 127.826 -23.049 -23.049 1044 2HD2 ASN 141 2HD2 ASN 141 129.199 -22.131 -22.131 1045 H HIS 142 H HIS 142 125.971 -19.636 -19.636 1046 HA HIS 142 HA HIS 142 125.947 -22.347 -22.347 1047 1HB HIS 142 2HB HIS 142 123.688 -21.008 -21.008 1048 2HB HIS 142 1HB HIS 142 123.824 -20.474 -20.474 1049 HD1 HIS 142 HD1 HIS 142 121.718 -22.611 -22.611 1050 HD2 HIS 142 HD2 HIS 142 125.023 -23.460 -23.460 1051 HE1 HIS 142 HE1 HIS 142 121.275 -24.868 -24.868 1052 H ALA 143 H ALA 143 125.154 -21.588 -21.588 1053 HA ALA 143 HA ALA 143 126.348 -19.191 -19.191 1054 1HB ALA 143 1HB ALA 143 128.159 -21.184 -21.184 1055 2HB ALA 143 3HB ALA 143 128.130 -21.292 -21.292 1056 3HB ALA 143 2HB ALA 143 128.533 -19.764 -19.764 1057 H ARG 144 H ARG 144 125.314 -18.946 -18.946 1058 HA ARG 144 HA ARG 144 124.211 -19.476 -19.476 1059 1HB ARG 144 2HB ARG 144 126.557 -20.492 -20.492 1060 2HB ARG 144 1HB ARG 144 125.809 -22.039 -22.039 1061 1HG ARG 144 2HG ARG 144 125.801 -21.929 -21.929 1062 2HG ARG 144 1HG ARG 144 124.151 -21.550 -21.550 1063 1HD ARG 144 2HD ARG 144 124.547 -19.166 -19.166 1064 2HD ARG 144 1HD ARG 144 126.268 -19.457 -19.457 1065 HE ARG 144 HE ARG 144 125.030 -21.068 -21.068 1066 1HH1 ARG 144 1HH2 ARG 144 125.900 -17.860 -17.860 1067 2HH1 ARG 144 2HH2 ARG 144 124.898 -17.287 -17.287 1068 1HH2 ARG 144 2HH1 ARG 144 123.215 -20.291 -20.291 1069 2HH2 ARG 144 1HH1 ARG 144 123.378 -18.660 -18.660 1070 H ILE 145 H ILE 145 122.211 -19.789 -19.789 1071 HA ILE 145 HA ILE 145 121.431 -22.506 -22.506 1072 HB ILE 145 HB ILE 145 119.330 -21.393 -21.393 1073 1HG1 ILE 145 2HG1 ILE 145 120.421 -18.835 -18.835 1074 2HG1 ILE 145 1HG1 ILE 145 119.395 -19.918 -19.918 1075 1HG2 ILE 145 1HG2 ILE 145 121.325 -21.107 -21.107 1076 2HG2 ILE 145 3HG2 ILE 145 121.721 -19.623 -19.623 1077 3HG2 ILE 145 2HG2 ILE 145 120.237 -19.721 -19.721 1078 1HD1 ILE 145 1HD1 ILE 145 117.756 -19.816 -19.816 1079 2HD1 ILE 145 3HD1 ILE 145 118.704 -18.434 -18.434 1080 3HD1 ILE 145 2HD1 ILE 145 117.886 -18.374 -18.374 1081 H ASP 146 H ASP 146 119.605 -23.665 -23.665 1082 HA ASP 146 HA ASP 146 118.445 -24.514 -24.514 1083 1HB ASP 146 2HB ASP 146 117.856 -21.871 -21.871 1084 2HB ASP 146 1HB ASP 146 118.536 -21.868 -21.868 1085 H ALA 147 H ALA 147 118.711 -24.789 -24.789 1086 HA ALA 147 HA ALA 147 120.076 -25.239 -25.239 1087 1HB ALA 147 1HB ALA 147 120.526 -22.641 -22.641 1088 2HB ALA 147 3HB ALA 147 122.159 -23.308 -23.308 1089 3HB ALA 147 2HB ALA 147 121.228 -23.387 -23.387 1090 H ALA 148 H ALA 148 121.741 -26.688 -26.688 1091 HA ALA 148 HA ALA 148 122.843 -28.322 -28.322 1092 1HB ALA 148 2HB ALA 148 123.591 -27.535 -27.535 1093 2HB ALA 148 1HB ALA 148 124.660 -28.614 -28.614 1094 3HB ALA 148 3HB ALA 148 122.985 -29.081 -29.081 1095 H GLU 149 H GLU 149 124.322 -27.937 -27.937 1096 HA GLU 149 HA GLU 149 126.289 -25.704 -25.704 1097 1HB GLU 149 2HB GLU 149 124.567 -25.423 -25.423 1098 2HB GLU 149 1HB GLU 149 125.122 -26.918 -26.918 1099 1HG GLU 149 2HG GLU 149 127.465 -25.783 -25.783 1100 2HG GLU 149 1HG GLU 149 126.564 -24.285 -24.285 1101 H GLY 150 H GLY 150 127.493 -27.579 -27.579 1102 1HA GLY 150 2HA GLY 150 129.691 -28.582 -28.582 1103 2HA GLY 150 1HA GLY 150 129.172 -28.987 -28.987 1104 HA PRO 151 HA PRO 151 128.472 -32.805 -32.805 1105 1HB PRO 151 2HB PRO 151 129.204 -34.507 -34.507 1106 2HB PRO 151 1HB PRO 151 130.374 -33.746 -33.746 1107 1HG PRO 151 2HG PRO 151 129.730 -33.110 -33.110 1108 2HG PRO 151 1HG PRO 151 131.246 -32.914 -32.914 1109 1HD PRO 151 2HD PRO 151 129.419 -30.886 -30.886 1110 2HD PRO 151 1HD PRO 151 130.747 -30.783 -30.783 1111 H SER 152 H SER 152 126.570 -34.016 -34.016 1112 HA SER 152 HA SER 152 124.586 -33.350 -33.350 1113 1HB SER 152 2HB SER 152 124.531 -35.033 -35.033 1114 2HB SER 152 1HB SER 152 123.112 -34.649 -34.649 1115 HG SER 152 HG SER 152 123.266 -33.132 -33.132 1116 H ASP 153 H ASP 153 124.985 -34.497 -34.497 1117 HA ASP 153 HA ASP 153 126.019 -37.177 -37.177 1118 1HB ASP 153 2HB ASP 153 124.255 -35.669 -35.669 1119 2HB ASP 153 1HB ASP 153 125.362 -36.986 -36.986 1120 H ILE 154 H ILE 154 124.746 -38.523 -38.523 1121 HA ILE 154 HA ILE 154 121.925 -38.951 -38.951 1122 HB ILE 154 HB ILE 154 122.111 -37.856 -37.856 1123 1HG1 ILE 154 2HG1 ILE 154 121.339 -40.426 -40.426 1124 2HG1 ILE 154 1HG1 ILE 154 120.722 -40.257 -40.257 1125 1HG2 ILE 154 3HG2 ILE 154 124.305 -39.677 -39.677 1126 2HG2 ILE 154 2HG2 ILE 154 123.151 -39.965 -39.965 1127 3HG2 ILE 154 1HG2 ILE 154 123.824 -38.354 -38.354 1128 1HD1 ILE 154 1HD1 ILE 154 120.027 -37.853 -37.853 1129 2HD1 ILE 154 3HD1 ILE 154 120.161 -38.554 -38.554 1130 3HD1 ILE 154 2HD1 ILE 154 119.028 -39.236 -39.236 1131 HA PRO 155 HA PRO 155 124.143 -42.883 -42.883 1132 1HB PRO 155 2HB PRO 155 122.437 -43.699 -43.699 1133 2HB PRO 155 1HB PRO 155 123.822 -42.627 -42.627 1134 1HG PRO 155 2HG PRO 155 120.937 -41.941 -41.941 1135 2HG PRO 155 1HG PRO 155 122.121 -41.293 -41.293 1136 1HD PRO 155 2HD PRO 155 121.403 -39.957 -39.957 1137 2HD PRO 155 1HD PRO 155 123.042 -39.856 -39.856 1138 H ASP 156 HN ASP 156 123.642 -44.265 -44.265 1139 HA ASP 156 HA ASP 156 120.805 -45.212 -45.212 1140 1HB ASP 156 2HB ASP 156 121.279 -45.260 -45.260 1141 2HB ASP 156 1HB ASP 156 121.360 -43.636 -43.636 Start of MODEL 18 1 1H MET 1 2H MET 1 126.570 29.884 29.884 2 2H MET 1 1H MET 1 126.848 30.231 30.231 3 3H MET 1 3H MET 1 127.459 31.261 31.261 4 HA MET 1 HA MET 1 129.373 30.119 30.119 5 1HB MET 1 2HB MET 1 127.410 28.407 28.407 6 2HB MET 1 1HB MET 1 128.809 27.533 27.533 7 1HG MET 1 2HG MET 1 129.045 30.061 30.061 8 2HG MET 1 1HG MET 1 129.082 28.447 28.447 9 1HE MET 1 2HE MET 1 130.455 26.561 26.561 10 2HE MET 1 1HE MET 1 132.201 26.784 26.784 11 3HE MET 1 3HE MET 1 131.258 27.062 27.062 12 H GLU 2 H GLU 2 130.567 28.923 28.923 13 HA GLU 2 HA GLU 2 129.170 28.130 28.130 14 1HB GLU 2 2HB GLU 2 131.861 28.720 28.720 15 2HB GLU 2 1HB GLU 2 131.850 27.345 27.345 16 1HG GLU 2 2HG GLU 2 130.728 28.650 28.650 17 2HG GLU 2 1HG GLU 2 130.520 30.003 30.003 18 HA PRO 3 HA PRO 3 130.826 23.769 23.769 19 1HB PRO 3 2HB PRO 3 132.063 23.325 23.325 20 2HB PRO 3 1HB PRO 3 132.935 23.849 23.849 21 1HG PRO 3 2HG PRO 3 132.004 25.463 25.463 22 2HG PRO 3 1HG PRO 3 133.528 25.553 25.553 23 1HD PRO 3 2HD PRO 3 131.485 27.295 27.295 24 2HD PRO 3 1HD PRO 3 132.618 26.829 26.829 25 H ALA 4 H ALA 4 129.565 22.095 22.095 26 HA ALA 4 HA ALA 4 127.776 21.172 21.172 27 1HB ALA 4 1HB ALA 4 129.542 21.991 21.991 28 2HB ALA 4 3HB ALA 4 128.353 23.249 23.249 29 3HB ALA 4 2HB ALA 4 127.924 21.552 21.552 30 H ALA 5 H ALA 5 126.406 22.300 22.300 31 HA ALA 5 HA ALA 5 124.609 24.305 24.305 32 1HB ALA 5 3HB ALA 5 126.029 24.369 24.369 33 2HB ALA 5 2HB ALA 5 124.525 25.263 25.263 34 3HB ALA 5 1HB ALA 5 125.930 25.633 25.633 35 H GLY 6 H GLY 6 122.873 22.855 22.855 36 1HA GLY 6 2HA GLY 6 122.053 21.067 21.067 37 2HA GLY 6 1HA GLY 6 121.260 21.217 21.217 38 H SER 7 H SER 7 120.640 21.678 21.678 39 HA SER 7 HA SER 7 118.627 23.795 23.795 40 1HB SER 7 2HB SER 7 120.301 23.912 23.912 41 2HB SER 7 1HB SER 7 119.426 25.213 25.213 42 HG SER 7 HG SER 7 120.954 24.936 24.936 43 H SER 8 H SER 8 118.382 20.911 20.911 44 HA SER 8 HA SER 8 117.211 19.343 19.343 45 1HB SER 8 2HB SER 8 115.311 20.562 20.562 46 2HB SER 8 1HB SER 8 115.803 21.993 21.993 47 HG SER 8 HG SER 8 114.118 20.868 20.868 48 H MET 9 H MET 9 119.042 19.019 19.019 49 HA MET 9 HA MET 9 118.592 20.335 20.335 50 1HB MET 9 2HB MET 9 121.005 20.098 20.098 51 2HB MET 9 1HB MET 9 120.693 20.928 20.928 52 1HG MET 9 2HG MET 9 121.137 18.940 18.940 53 2HG MET 9 1HG MET 9 121.156 17.940 17.940 54 1HE MET 9 2HE MET 9 122.227 21.094 21.094 55 2HE MET 9 1HE MET 9 123.778 20.614 20.614 56 3HE MET 9 3HE MET 9 123.723 21.532 21.532 57 H GLU 10 H GLU 10 118.523 17.365 17.365 58 HA GLU 10 HA GLU 10 119.387 15.504 15.504 59 1HB GLU 10 2HB GLU 10 117.702 15.572 15.572 60 2HB GLU 10 1HB GLU 10 117.399 14.212 14.212 61 1HG GLU 10 2HG GLU 10 119.116 13.340 13.340 62 2HG GLU 10 1HG GLU 10 120.043 14.062 14.062 63 HA PRO 11 HA PRO 11 116.077 16.223 16.223 64 1HB PRO 11 2HB PRO 11 116.715 14.237 14.237 65 2HB PRO 11 1HB PRO 11 117.609 15.767 15.767 66 1HG PRO 11 2HG PRO 11 118.329 13.089 13.089 67 2HG PRO 11 1HG PRO 11 119.364 14.356 14.356 68 1HD PRO 11 2HD PRO 11 119.083 13.833 13.833 69 2HD PRO 11 1HD PRO 11 119.625 15.384 15.384 70 H SER 12 H SER 12 114.566 15.402 15.402 71 HA SER 12 HA SER 12 112.789 13.983 13.983 72 1HB SER 12 2HB SER 12 111.801 12.996 12.996 73 2HB SER 12 1HB SER 12 113.084 13.789 13.789 74 HG SER 12 HG SER 12 114.305 11.889 11.889 75 H ALA 13 H ALA 13 115.919 13.254 13.254 76 HA ALA 13 HA ALA 13 115.807 10.363 10.363 77 1HB ALA 13 1HB ALA 13 117.762 12.586 12.586 78 2HB ALA 13 3HB ALA 13 118.134 11.282 11.282 79 3HB ALA 13 2HB ALA 13 117.938 10.932 10.932 80 H ASP 14 H ASP 14 115.680 13.323 13.323 81 HA ASP 14 HA ASP 14 115.875 11.897 11.897 82 1HB ASP 14 2HB ASP 14 116.770 14.115 14.115 83 2HB ASP 14 1HB ASP 14 115.270 14.733 14.733 84 H TRP 15 H TRP 15 113.347 12.305 12.305 85 HA TRP 15 HA TRP 15 111.142 12.798 12.798 86 1HB TRP 15 2HB TRP 15 111.598 12.579 12.579 87 2HB TRP 15 1HB TRP 15 110.552 11.206 11.206 88 HD1 TRP 15 HD1 TRP 15 109.057 12.739 12.739 89 HE1 TRP 15 HE1 TRP 15 107.259 14.492 14.492 90 HE3 TRP 15 HE3 TRP 15 110.375 13.771 13.771 91 HZ2 TRP 15 HZ2 TRP 15 106.482 16.117 16.117 92 HZ3 TRP 15 HZ3 TRP 15 109.090 15.421 15.421 93 HH2 TRP 15 HH2 TRP 15 107.148 16.593 16.593 94 H LEU 16 H LEU 16 113.166 10.118 10.118 95 HA LEU 16 HA LEU 16 111.161 8.024 8.024 96 1HB LEU 16 2HB LEU 16 114.150 7.976 7.976 97 2HB LEU 16 1HB LEU 16 113.102 6.605 6.605 98 HG LEU 16 HG LEU 16 113.648 8.909 8.909 99 1HD1 LEU 16 3HD1 LEU 16 115.360 6.833 6.833 100 2HD1 LEU 16 2HD1 LEU 16 114.550 6.237 6.237 101 3HD1 LEU 16 1HD1 LEU 16 115.416 7.773 7.773 102 1HD2 LEU 16 2HD2 LEU 16 111.480 7.226 7.226 103 2HD2 LEU 16 1HD2 LEU 16 112.111 7.976 7.976 104 3HD2 LEU 16 3HD2 LEU 16 112.585 6.331 6.331 105 H ALA 17 H ALA 17 113.663 9.636 9.636 106 HA ALA 17 HA ALA 17 112.894 8.390 8.390 107 1HB ALA 17 1HB ALA 17 114.654 10.576 10.576 108 2HB ALA 17 3HB ALA 17 114.192 10.665 10.665 109 3HB ALA 17 2HB ALA 17 115.028 9.240 9.240 110 H THR 18 H THR 18 112.211 11.620 11.620 111 HA THR 18 HA THR 18 110.676 12.687 12.687 112 HB THR 18 HB THR 18 109.536 13.556 13.556 113 HG1 THR 18 HG1 THR 18 111.084 12.448 12.448 114 1HG2 THR 18 1HG2 THR 18 111.654 14.538 14.538 115 2HG2 THR 18 3HG2 THR 18 111.323 15.434 15.434 116 3HG2 THR 18 2HG2 THR 18 110.041 15.183 15.183 117 H ALA 19 H ALA 19 109.303 11.291 11.291 118 HA ALA 19 HA ALA 19 106.630 11.127 11.127 119 1HB ALA 19 2HB ALA 19 108.231 9.236 9.236 120 2HB ALA 19 1HB ALA 19 106.472 9.371 9.371 121 3HB ALA 19 3HB ALA 19 107.455 10.732 10.732 122 H ALA 20 H ALA 20 109.194 8.642 8.642 123 HA ALA 20 HA ALA 20 107.622 6.651 6.651 124 1HB ALA 20 2HB ALA 20 110.499 7.476 7.476 125 2HB ALA 20 1HB ALA 20 110.026 6.268 6.268 126 3HB ALA 20 3HB ALA 20 109.759 5.963 5.963 127 H ALA 21 H ALA 21 109.552 9.275 9.275 128 HA ALA 21 HA ALA 21 108.864 8.725 8.725 129 1HB ALA 21 1HB ALA 21 110.572 10.355 10.355 130 2HB ALA 21 3HB ALA 21 109.337 11.526 11.526 131 3HB ALA 21 2HB ALA 21 110.163 10.585 10.585 132 H ARG 22 H ARG 22 107.133 10.388 10.388 133 HA ARG 22 HA ARG 22 105.235 11.651 11.651 134 1HB ARG 22 2HB ARG 22 106.052 11.817 11.817 135 2HB ARG 22 1HB ARG 22 104.310 11.968 11.968 136 1HG ARG 22 2HG ARG 22 105.282 13.551 13.551 137 2HG ARG 22 1HG ARG 22 106.465 13.828 13.828 138 1HD ARG 22 2HD ARG 22 103.459 14.039 14.039 139 2HD ARG 22 1HD ARG 22 104.533 15.423 15.423 140 HE ARG 22 HE ARG 22 105.747 13.995 13.995 141 1HH1 ARG 22 1HH2 ARG 22 103.348 16.320 16.320 142 2HH1 ARG 22 2HH2 ARG 22 102.750 16.307 16.307 143 1HH2 ARG 22 2HH1 ARG 22 104.683 13.600 13.600 144 2HH2 ARG 22 1HH1 ARG 22 103.506 14.771 14.771 145 H GLY 23 H GLY 23 105.444 8.609 8.609 146 1HA GLY 23 2HA GLY 23 104.023 6.762 6.762 147 2HA GLY 23 1HA GLY 23 102.809 7.847 7.847 148 H ARG 24 H ARG 24 104.453 8.487 8.487 149 HA ARG 24 HA ARG 24 101.826 8.282 8.282 150 1HB ARG 24 2HB ARG 24 103.864 10.211 10.211 151 2HB ARG 24 1HB ARG 24 104.037 9.511 9.511 152 1HG ARG 24 2HG ARG 24 102.230 10.637 10.637 153 2HG ARG 24 1HG ARG 24 101.239 9.913 9.913 154 1HD ARG 24 2HD ARG 24 102.628 11.742 11.742 155 2HD ARG 24 1HD ARG 24 102.512 12.588 12.588 156 HE ARG 24 HE ARG 24 100.063 12.312 12.312 157 1HH1 ARG 24 2HH1 ARG 24 101.230 13.519 13.519 158 2HH1 ARG 24 1HH1 ARG 24 100.184 12.747 12.747 159 1HH2 ARG 24 1HH2 ARG 24 98.970 10.429 10.429 160 2HH2 ARG 24 2HH2 ARG 24 98.906 11.000 11.000 161 H VAL 25 H VAL 25 101.837 6.042 6.042 162 HA VAL 25 HA VAL 25 104.102 4.656 4.656 163 HB VAL 25 HB VAL 25 101.118 4.164 4.164 164 1HG1 VAL 25 1HG1 VAL 25 103.262 2.287 2.287 165 2HG1 VAL 25 3HG1 VAL 25 101.601 1.826 1.826 166 3HG1 VAL 25 2HG1 VAL 25 101.932 2.966 2.966 167 1HG2 VAL 25 2HG2 VAL 25 103.204 3.989 3.989 168 2HG2 VAL 25 1HG2 VAL 25 101.610 3.246 3.246 169 3HG2 VAL 25 3HG2 VAL 25 102.953 2.321 2.321 170 H GLU 26 H GLU 26 101.005 5.775 5.775 171 HA GLU 26 HA GLU 26 101.391 5.152 5.152 172 1HB GLU 26 2HB GLU 26 100.161 7.560 7.560 173 2HB GLU 26 1HB GLU 26 99.964 7.237 7.237 174 1HG GLU 26 2HG GLU 26 98.780 5.229 5.229 175 2HG GLU 26 1HG GLU 26 99.315 5.141 5.141 176 H GLU 27 H GLU 27 102.647 8.011 8.011 177 HA GLU 27 HA GLU 27 103.787 9.393 9.393 178 1HB GLU 27 2HB GLU 27 104.086 9.241 9.241 179 2HB GLU 27 1HB GLU 27 105.455 9.940 9.940 180 1HG GLU 27 2HG GLU 27 102.625 10.831 10.831 181 2HG GLU 27 1HG GLU 27 103.588 11.554 11.554 182 H VAL 28 H VAL 28 105.365 7.156 7.156 183 HA VAL 28 HA VAL 28 107.859 6.982 6.982 184 HB VAL 28 HB VAL 28 106.693 4.780 4.780 185 1HG1 VAL 28 1HG1 VAL 28 109.385 5.826 5.826 186 2HG1 VAL 28 3HG1 VAL 28 109.190 5.163 5.163 187 3HG1 VAL 28 2HG1 VAL 28 108.847 4.164 4.164 188 1HG2 VAL 28 2HG2 VAL 28 106.936 7.565 7.565 189 2HG2 VAL 28 1HG2 VAL 28 106.333 6.213 6.213 190 3HG2 VAL 28 3HG2 VAL 28 108.056 6.587 6.587 191 H ARG 29 H ARG 29 105.031 4.786 4.786 192 HA ARG 29 HA ARG 29 105.681 2.669 2.669 193 1HB ARG 29 2HB ARG 29 103.240 4.460 4.460 194 2HB ARG 29 1HB ARG 29 103.294 2.951 2.951 195 1HG ARG 29 2HG ARG 29 103.931 3.079 3.079 196 2HG ARG 29 1HG ARG 29 102.298 2.801 2.801 197 1HD ARG 29 2HD ARG 29 103.898 1.016 1.016 198 2HD ARG 29 1HD ARG 29 104.502 0.915 0.915 199 HE ARG 29 HE ARG 29 101.820 0.885 0.885 200 1HH1 ARG 29 2HH1 ARG 29 104.103 -1.199 -1.199 201 2HH1 ARG 29 1HH1 ARG 29 102.949 -2.397 -2.397 202 1HH2 ARG 29 1HH2 ARG 29 100.192 -0.497 -0.497 203 2HH2 ARG 29 2HH2 ARG 29 100.738 -1.998 -1.998 204 H ALA 30 H ALA 30 104.630 5.828 5.828 205 HA ALA 30 HA ALA 30 105.305 5.069 5.069 206 1HB ALA 30 2HB ALA 30 103.796 7.027 7.027 207 2HB ALA 30 1HB ALA 30 104.998 7.902 7.902 208 3HB ALA 30 3HB ALA 30 103.890 6.786 6.786 209 H LEU 31 H LEU 31 106.643 7.489 7.489 210 HA LEU 31 HA LEU 31 108.782 8.482 8.482 211 1HB LEU 31 2HB LEU 31 108.485 7.771 7.771 212 2HB LEU 31 1HB LEU 31 109.879 8.658 8.658 213 HG LEU 31 HG LEU 31 107.062 9.556 9.556 214 1HD1 LEU 31 3HD1 LEU 31 107.765 9.331 9.331 215 2HD1 LEU 31 2HD1 LEU 31 108.690 10.790 10.790 216 3HD1 LEU 31 1HD1 LEU 31 106.941 10.782 10.782 217 1HD2 LEU 31 3HD2 LEU 31 109.817 10.810 10.810 218 2HD2 LEU 31 2HD2 LEU 31 108.709 10.587 10.587 219 3HD2 LEU 31 1HD2 LEU 31 108.339 11.768 11.768 220 H LEU 32 H LEU 32 109.452 6.028 6.028 221 HA LEU 32 HA LEU 32 111.946 5.201 5.201 222 1HB LEU 32 2HB LEU 32 110.670 4.635 4.635 223 2HB LEU 32 1HB LEU 32 109.895 3.351 3.351 224 HG LEU 32 HG LEU 32 112.583 3.062 3.062 225 1HD1 LEU 32 3HD1 LEU 32 112.248 3.825 3.825 226 2HD1 LEU 32 2HD1 LEU 32 113.622 2.894 2.894 227 3HD1 LEU 32 1HD1 LEU 32 113.350 4.537 4.537 228 1HD2 LEU 32 2HD2 LEU 32 110.764 1.706 1.706 229 2HD2 LEU 32 1HD2 LEU 32 111.216 1.160 1.160 230 3HD2 LEU 32 3HD2 LEU 32 112.396 1.118 1.118 231 H GLU 33 H GLU 33 108.749 3.870 3.870 232 HA GLU 33 HA GLU 33 109.894 1.904 1.904 233 1HB GLU 33 2HB GLU 33 107.625 1.967 1.967 234 2HB GLU 33 1HB GLU 33 107.096 3.036 3.036 235 1HG GLU 33 2HG GLU 33 107.866 1.270 1.270 236 2HG GLU 33 1HG GLU 33 108.108 0.196 0.196 237 H ALA 34 H ALA 34 109.476 5.294 5.294 238 HA ALA 34 HA ALA 34 109.037 5.356 5.356 239 1HB ALA 34 2HB ALA 34 109.048 7.199 7.199 240 2HB ALA 34 1HB ALA 34 109.701 7.902 7.902 241 3HB ALA 34 3HB ALA 34 108.067 7.245 7.245 242 H GLY 35 H GLY 35 111.695 5.109 5.109 243 1HA GLY 35 2HA GLY 35 113.819 4.524 4.524 244 2HA GLY 35 1HA GLY 35 113.548 6.046 6.046 245 H ALA 36 H ALA 36 112.824 5.874 5.874 246 HA ALA 36 HA ALA 36 114.651 8.022 8.022 247 1HB ALA 36 3HB ALA 36 112.411 6.898 6.898 248 2HB ALA 36 2HB ALA 36 113.657 6.301 6.301 249 3HB ALA 36 1HB ALA 36 113.456 8.036 8.036 250 H LEU 37 H LEU 37 116.003 7.456 7.456 251 HA LEU 37 HA LEU 37 118.070 5.535 5.535 252 1HB LEU 37 2HB LEU 37 117.822 7.933 7.933 253 2HB LEU 37 1HB LEU 37 119.032 6.754 6.754 254 HG LEU 37 HG LEU 37 119.852 8.565 8.565 255 1HD1 LEU 37 3HD1 LEU 37 120.350 5.742 5.742 256 2HD1 LEU 37 2HD1 LEU 37 120.515 6.296 6.296 257 3HD1 LEU 37 1HD1 LEU 37 121.474 7.044 7.044 258 1HD2 LEU 37 3HD2 LEU 37 117.633 8.191 8.191 259 2HD2 LEU 37 2HD2 LEU 37 119.136 8.619 8.619 260 3HD2 LEU 37 1HD2 LEU 37 118.594 6.941 6.941 261 HA PRO 38 HA PRO 38 116.457 2.614 2.614 262 1HB PRO 38 2HB PRO 38 118.390 0.701 0.701 263 2HB PRO 38 1HB PRO 38 117.038 0.925 0.925 264 1HG PRO 38 2HG PRO 38 119.865 1.830 1.830 265 2HG PRO 38 1HG PRO 38 118.778 1.203 1.203 266 1HD PRO 38 2HD PRO 38 119.338 3.853 3.853 267 2HD PRO 38 1HD PRO 38 117.815 3.246 3.246 268 H ASN 39 H ASN 39 119.549 4.165 4.165 269 HA ASN 39 HA ASN 39 119.813 3.641 3.641 270 1HB ASN 39 2HB ASN 39 121.914 3.439 3.439 271 2HB ASN 39 1HB ASN 39 122.277 3.390 3.390 272 1HD2 ASN 39 1HD2 ASN 39 120.146 1.791 1.791 273 2HD2 ASN 39 2HD2 ASN 39 120.262 0.240 0.240 274 H ALA 40 H ALA 40 118.673 5.967 5.967 275 HA ALA 40 HA ALA 40 120.617 8.068 8.068 276 1HB ALA 40 1HB ALA 40 117.672 7.848 7.848 277 2HB ALA 40 3HB ALA 40 118.446 9.433 9.433 278 3HB ALA 40 2HB ALA 40 118.472 8.434 8.434 279 HA PRO 41 HA PRO 41 121.612 8.739 8.739 280 1HB PRO 41 2HB PRO 41 122.933 11.114 11.114 281 2HB PRO 41 1HB PRO 41 123.647 9.551 9.551 282 1HG PRO 41 2HG PRO 41 122.469 11.654 11.654 283 2HG PRO 41 1HG PRO 41 123.827 10.562 10.562 284 1HD PRO 41 2HD PRO 41 121.282 10.232 10.232 285 2HD PRO 41 1HD PRO 41 122.482 8.933 8.933 286 H ASN 42 H ASN 42 121.250 10.551 10.551 287 HA ASN 42 HA ASN 42 118.968 12.328 12.328 288 1HB ASN 42 2HB ASN 42 119.234 10.684 10.684 289 2HB ASN 42 1HB ASN 42 117.843 11.659 11.659 290 1HD2 ASN 42 1HD2 ASN 42 119.028 8.499 8.499 291 2HD2 ASN 42 2HD2 ASN 42 118.058 7.879 7.879 292 H SER 43 H SER 43 118.548 13.704 13.704 293 HA SER 43 HA SER 43 121.196 14.978 14.978 294 1HB SER 43 2HB SER 43 118.334 15.991 15.991 295 2HB SER 43 1HB SER 43 119.732 16.960 16.960 296 HG SER 43 HG SER 43 120.257 17.159 17.159 297 H TYR 44 H TYR 44 119.430 12.678 12.678 298 HA TYR 44 HA TYR 44 119.573 13.821 13.821 299 1HB TYR 44 2HB TYR 44 117.900 11.487 11.487 300 2HB TYR 44 1HB TYR 44 117.685 12.443 12.443 301 HD1 TYR 44 HD2 TYR 44 117.621 15.145 15.145 302 HD2 TYR 44 HD1 TYR 44 116.292 11.878 11.878 303 HE1 TYR 44 HE2 TYR 44 116.112 16.682 16.682 304 HE2 TYR 44 HE1 TYR 44 114.783 13.417 13.417 305 HH TYR 44 HH TYR 44 114.303 15.612 15.612 306 H GLY 45 H GLY 45 121.360 11.950 11.950 307 1HA GLY 45 2HA GLY 45 122.945 10.273 10.273 308 2HA GLY 45 1HA GLY 45 122.788 10.650 10.650 309 H ARG 46 H ARG 46 120.085 9.655 9.655 310 HA ARG 46 HA ARG 46 119.963 7.095 7.095 311 1HB ARG 46 2HB ARG 46 117.756 8.859 8.859 312 2HB ARG 46 1HB ARG 46 117.513 7.395 7.395 313 1HG ARG 46 2HG ARG 46 119.331 9.363 9.363 314 2HG ARG 46 1HG ARG 46 117.669 9.924 9.924 315 1HD ARG 46 2HD ARG 46 117.210 7.417 7.417 316 2HD ARG 46 1HD ARG 46 118.757 7.774 7.774 317 HE ARG 46 HE ARG 46 116.459 9.690 9.690 318 1HH1 ARG 46 2HH1 ARG 46 116.389 7.774 7.774 319 2HH1 ARG 46 1HH1 ARG 46 117.380 8.521 8.521 320 1HH2 ARG 46 1HH2 ARG 46 118.889 10.716 10.716 321 2HH2 ARG 46 2HH2 ARG 46 118.788 10.193 10.193 322 H ARG 47 H ARG 47 118.056 5.771 5.771 323 HA ARG 47 HA ARG 47 119.280 5.396 5.396 324 1HB ARG 47 2HB ARG 47 117.557 3.561 3.561 325 2HB ARG 47 1HB ARG 47 118.385 3.110 3.110 326 1HG ARG 47 2HG ARG 47 120.144 4.341 4.341 327 2HG ARG 47 1HG ARG 47 119.432 2.809 2.809 328 1HD ARG 47 2HD ARG 47 121.594 2.455 2.455 329 2HD ARG 47 1HD ARG 47 120.251 1.749 1.749 330 HE ARG 47 HE ARG 47 120.262 3.844 3.844 331 1HH1 ARG 47 2HH1 ARG 47 122.837 2.263 2.263 332 2HH1 ARG 47 1HH1 ARG 47 124.021 3.524 3.524 333 1HH2 ARG 47 1HH2 ARG 47 121.853 5.825 5.825 334 2HH2 ARG 47 2HH2 ARG 47 123.464 5.539 5.539 335 HA PRO 48 HA PRO 48 115.607 6.680 6.680 336 1HB PRO 48 2HB PRO 48 115.197 4.735 4.735 337 2HB PRO 48 1HB PRO 48 116.469 5.968 5.968 338 1HG PRO 48 2HG PRO 48 116.663 3.139 3.139 339 2HG PRO 48 1HG PRO 48 117.757 4.058 4.058 340 1HD PRO 48 2HD PRO 48 118.303 3.639 3.639 341 2HD PRO 48 1HD PRO 48 118.761 5.144 5.144 342 H ILE 49 H ILE 49 115.651 3.603 3.603 343 HA ILE 49 HA ILE 49 112.660 3.435 3.435 344 HB ILE 49 HB ILE 49 114.925 1.469 1.469 345 1HG1 ILE 49 2HG1 ILE 49 112.567 1.754 1.754 346 2HG1 ILE 49 1HG1 ILE 49 114.280 1.686 1.686 347 1HG2 ILE 49 2HG2 ILE 49 112.843 1.312 1.312 348 2HG2 ILE 49 1HG2 ILE 49 112.106 0.526 0.526 349 3HG2 ILE 49 3HG2 ILE 49 113.586 -0.122 -0.122 350 1HD1 ILE 49 2HD1 ILE 49 113.957 -0.698 -0.698 351 2HD1 ILE 49 1HD1 ILE 49 112.378 -0.515 -0.515 352 3HD1 ILE 49 3HD1 ILE 49 113.839 -0.512 -0.512 353 H GLN 50 H GLN 50 115.488 3.433 3.433 354 HA GLN 50 HA GLN 50 114.326 3.057 3.057 355 1HB GLN 50 2HB GLN 50 116.596 4.624 4.624 356 2HB GLN 50 1HB GLN 50 116.169 4.934 4.934 357 1HG GLN 50 2HG GLN 50 116.122 2.256 2.256 358 2HG GLN 50 1HG GLN 50 117.281 2.468 2.468 359 1HE2 GLN 50 1HE2 GLN 50 118.863 4.544 4.544 360 2HE2 GLN 50 2HE2 GLN 50 119.571 4.330 4.330 361 H VAL 51 H VAL 51 113.967 5.779 5.779 362 HA VAL 51 HA VAL 51 112.554 7.314 7.314 363 HB VAL 51 HB VAL 51 114.558 8.305 8.305 364 1HG1 VAL 51 3HG1 VAL 51 112.770 8.050 8.050 365 2HG1 VAL 51 2HG1 VAL 51 114.190 9.092 9.092 366 3HG1 VAL 51 1HG1 VAL 51 114.371 7.346 7.346 367 1HG2 VAL 51 2HG2 VAL 51 112.237 9.514 9.514 368 2HG2 VAL 51 1HG2 VAL 51 113.639 10.394 10.394 369 3HG2 VAL 51 3HG2 VAL 51 112.318 9.982 9.982 370 H MET 52 H MET 52 111.271 5.088 5.088 371 HA MET 52 HA MET 52 109.447 6.492 6.492 372 1HB MET 52 2HB MET 52 108.718 4.194 4.194 373 2HB MET 52 1HB MET 52 110.473 4.331 4.331 374 1HG MET 52 2HG MET 52 110.636 2.634 2.634 375 2HG MET 52 1HG MET 52 109.891 3.664 3.664 376 1HE MET 52 2HE MET 52 110.053 0.548 0.548 377 2HE MET 52 1HE MET 52 109.397 0.525 0.525 378 3HE MET 52 3HE MET 52 108.501 -0.225 -0.225 379 H MET 53 H MET 53 109.361 7.007 7.007 380 HA MET 53 HA MET 53 107.683 7.356 7.356 381 1HB MET 53 2HB MET 53 106.465 7.703 7.703 382 2HB MET 53 1HB MET 53 105.736 6.136 6.136 383 1HG MET 53 2HG MET 53 105.705 8.068 8.068 384 2HG MET 53 1HG MET 53 104.699 8.503 8.503 385 1HE MET 53 3HE MET 53 102.867 7.065 7.065 386 2HE MET 53 2HE MET 53 103.986 5.722 5.722 387 3HE MET 53 1HE MET 53 102.416 5.441 5.441 388 H MET 54 H MET 54 108.576 4.337 4.337 389 HA MET 54 HA MET 54 108.169 2.110 2.110 390 1HB MET 54 2HB MET 54 108.676 3.908 3.908 391 2HB MET 54 1HB MET 54 108.091 2.293 2.293 392 1HG MET 54 2HG MET 54 110.561 2.342 2.342 393 2HG MET 54 1HG MET 54 109.886 1.291 1.291 394 1HE MET 54 2HE MET 54 111.397 1.001 1.001 395 2HE MET 54 1HE MET 54 110.955 1.809 1.809 396 3HE MET 54 3HE MET 54 112.540 2.098 2.098 397 H GLY 55 H GLY 55 105.731 3.634 3.634 398 1HA GLY 55 2HA GLY 55 103.824 2.207 2.207 399 2HA GLY 55 1HA GLY 55 103.473 3.798 3.798 400 H SER 56 H SER 56 105.124 2.301 2.301 401 HA SER 56 HA SER 56 102.809 0.788 0.788 402 1HB SER 56 2HB SER 56 103.799 3.451 3.451 403 2HB SER 56 1HB SER 56 103.642 2.339 2.339 404 HG SER 56 HG SER 56 101.521 2.211 2.211 405 H ALA 57 H ALA 57 104.320 -1.044 -1.044 406 HA ALA 57 HA ALA 57 106.946 -1.248 -1.248 407 1HB ALA 57 2HB ALA 57 104.636 -3.064 -3.064 408 2HB ALA 57 1HB ALA 57 105.953 -3.716 -3.716 409 3HB ALA 57 3HB ALA 57 106.274 -3.123 -3.123 410 H ARG 58 H ARG 58 103.910 -1.131 -1.131 411 HA ARG 58 HA ARG 58 104.507 -2.287 -2.287 412 1HB ARG 58 2HB ARG 58 103.099 0.335 0.335 413 2HB ARG 58 1HB ARG 58 102.907 -0.609 -0.609 414 1HG ARG 58 2HG ARG 58 102.254 -2.555 -2.555 415 2HG ARG 58 1HG ARG 58 101.995 -1.276 -1.276 416 1HD ARG 58 2HD ARG 58 99.863 -1.396 -1.396 417 2HD ARG 58 1HD ARG 58 100.631 -0.149 -0.149 418 HE ARG 58 HE ARG 58 101.376 -2.516 -2.516 419 1HH1 ARG 58 2HH1 ARG 58 98.666 -0.481 -0.481 420 2HH1 ARG 58 1HH1 ARG 58 97.621 -1.485 -1.485 421 1HH2 ARG 58 1HH2 ARG 58 99.907 -4.078 -4.078 422 2HH2 ARG 58 2HH2 ARG 58 98.318 -3.522 -3.522 423 H VAL 59 H VAL 59 105.346 0.975 0.975 424 HA VAL 59 HA VAL 59 106.618 1.942 1.942 425 HB VAL 59 HB VAL 59 107.468 2.539 2.539 426 1HG1 VAL 59 1HG1 VAL 59 107.571 3.903 3.903 427 2HG1 VAL 59 3HG1 VAL 59 107.434 4.893 4.893 428 3HG1 VAL 59 2HG1 VAL 59 108.806 3.803 3.803 429 1HG2 VAL 59 2HG2 VAL 59 104.824 2.769 2.769 430 2HG2 VAL 59 1HG2 VAL 59 105.371 3.224 3.224 431 3HG2 VAL 59 3HG2 VAL 59 105.473 4.382 4.382 432 H ALA 60 H ALA 60 108.079 0.485 0.485 433 HA ALA 60 HA ALA 60 110.741 0.289 0.289 434 1HB ALA 60 2HB ALA 60 109.141 -0.595 -0.595 435 2HB ALA 60 1HB ALA 60 109.631 -2.112 -2.112 436 3HB ALA 60 3HB ALA 60 110.853 -0.982 -0.982 437 H GLU 61 H GLU 61 107.985 -1.746 -1.746 438 HA GLU 61 HA GLU 61 109.333 -3.866 -3.866 439 1HB GLU 61 2HB GLU 61 106.711 -2.913 -2.913 440 2HB GLU 61 1HB GLU 61 106.895 -2.978 -2.978 441 1HG GLU 61 2HG GLU 61 107.475 -5.261 -5.261 442 2HG GLU 61 1HG GLU 61 106.045 -5.122 -5.122 443 H LEU 62 H LEU 62 108.092 -0.765 -0.765 444 HA LEU 62 HA LEU 62 108.944 -1.001 -1.001 445 1HB LEU 62 2HB LEU 62 107.819 0.907 0.907 446 2HB LEU 62 1HB LEU 62 109.325 1.648 1.648 447 HG LEU 62 HG LEU 62 106.940 0.842 0.842 448 1HD1 LEU 62 2HD1 LEU 62 108.818 3.199 3.199 449 2HD1 LEU 62 1HD1 LEU 62 107.573 3.053 3.053 450 3HD1 LEU 62 3HD1 LEU 62 107.119 3.140 3.140 451 1HD2 LEU 62 3HD2 LEU 62 109.671 0.291 0.291 452 2HD2 LEU 62 2HD2 LEU 62 108.193 0.018 0.018 453 3HD2 LEU 62 1HD2 LEU 62 109.021 1.573 1.573 454 H LEU 63 H LEU 63 110.625 0.644 0.644 455 HA LEU 63 HA LEU 63 113.091 1.106 1.106 456 1HB LEU 63 2HB LEU 63 112.152 0.856 0.856 457 2HB LEU 63 1HB LEU 63 113.864 1.080 1.080 458 HG LEU 63 HG LEU 63 112.656 3.229 3.229 459 1HD1 LEU 63 1HD1 LEU 63 114.078 2.632 2.632 460 2HD1 LEU 63 3HD1 LEU 63 113.374 4.234 4.234 461 3HD1 LEU 63 2HD1 LEU 63 114.582 3.639 3.639 462 1HD2 LEU 63 2HD2 LEU 63 110.504 2.540 2.540 463 2HD2 LEU 63 1HD2 LEU 63 111.101 4.079 4.079 464 3HD2 LEU 63 3HD2 LEU 63 111.286 2.611 2.611 465 H LEU 64 H LEU 64 111.812 -1.774 -1.774 466 HA LEU 64 HA LEU 64 114.353 -3.166 -3.166 467 1HB LEU 64 2HB LEU 64 111.581 -3.545 -3.545 468 2HB LEU 64 1HB LEU 64 112.158 -4.980 -4.980 469 HG LEU 64 HG LEU 64 112.587 -5.283 -5.283 470 1HD1 LEU 64 1HD1 LEU 64 114.438 -5.714 -5.714 471 2HD1 LEU 64 3HD1 LEU 64 115.295 -4.452 -4.452 472 3HD1 LEU 64 2HD1 LEU 64 114.804 -5.933 -5.933 473 1HD2 LEU 64 3HD2 LEU 64 112.885 -2.507 -2.507 474 2HD2 LEU 64 2HD2 LEU 64 113.134 -3.588 -3.588 475 3HD2 LEU 64 1HD2 LEU 64 114.499 -3.114 -3.114 476 H LEU 65 H LEU 65 111.569 -3.674 -3.674 477 HA LEU 65 HA LEU 65 112.723 -5.576 -5.576 478 1HB LEU 65 2HB LEU 65 110.866 -5.129 -5.129 479 2HB LEU 65 1HB LEU 65 110.367 -4.323 -4.323 480 HG LEU 65 HG LEU 65 111.671 -2.265 -2.265 481 1HD1 LEU 65 3HD1 LEU 65 110.814 -4.081 -4.081 482 2HD1 LEU 65 2HD1 LEU 65 111.022 -2.344 -2.344 483 3HD1 LEU 65 1HD1 LEU 65 112.396 -3.347 -3.347 484 1HD2 LEU 65 2HD2 LEU 65 109.035 -2.981 -2.981 485 2HD2 LEU 65 1HD2 LEU 65 109.582 -1.408 -1.408 486 3HD2 LEU 65 3HD2 LEU 65 109.043 -2.609 -2.609 487 H HIS 66 H HIS 66 113.317 -2.161 -2.161 488 HA HIS 66 HA HIS 66 114.868 -1.959 -1.959 489 1HB HIS 66 2HB HIS 66 113.538 -0.330 -0.330 490 2HB HIS 66 1HB HIS 66 115.150 0.273 0.273 491 HD1 HIS 66 HD1 HIS 66 112.967 -1.459 -1.459 492 HD2 HIS 66 HD2 HIS 66 114.367 2.354 2.354 493 HE1 HIS 66 HE1 HIS 66 112.295 -0.004 -0.004 494 H GLY 67 H GLY 67 115.330 -2.381 -2.381 495 1HA GLY 67 2HA GLY 67 117.310 -3.429 -3.429 496 2HA GLY 67 1HA GLY 67 118.210 -2.744 -2.744 497 H ALA 68 H ALA 68 116.185 -1.526 -1.526 498 HA ALA 68 HA ALA 68 117.614 0.999 0.999 499 1HB ALA 68 1HB ALA 68 115.302 -0.202 -0.202 500 2HB ALA 68 3HB ALA 68 116.326 0.151 0.151 501 3HB ALA 68 2HB ALA 68 115.858 1.446 1.446 502 H GLU 69 H GLU 69 118.029 1.037 1.037 503 HA GLU 69 HA GLU 69 120.440 -0.731 -0.731 504 1HB GLU 69 2HB GLU 69 119.788 2.049 2.049 505 2HB GLU 69 1HB GLU 69 121.171 1.136 1.136 506 1HG GLU 69 2HG GLU 69 122.329 1.285 1.285 507 2HG GLU 69 1HG GLU 69 120.864 1.259 1.259 508 HA PRO 70 HA PRO 70 117.275 -1.889 -1.889 509 1HB PRO 70 2HB PRO 70 117.293 -4.574 -4.574 510 2HB PRO 70 1HB PRO 70 116.203 -3.428 -3.428 511 1HG PRO 70 2HG PRO 70 118.783 -4.578 -4.578 512 2HG PRO 70 1HG PRO 70 117.267 -4.321 -4.321 513 1HD PRO 70 2HD PRO 70 119.372 -2.647 -2.647 514 2HD PRO 70 1HD PRO 70 117.688 -2.085 -2.085 515 H ASN 71 H ASN 71 120.462 -2.865 -2.865 516 HA ASN 71 HA ASN 71 120.988 -4.284 -4.284 517 1HB ASN 71 2HB ASN 71 121.639 -5.019 -5.019 518 2HB ASN 71 1HB ASN 71 122.904 -3.797 -3.797 519 1HD2 ASN 71 1HD2 ASN 71 124.430 -4.041 -4.041 520 2HD2 ASN 71 2HD2 ASN 71 124.743 -5.602 -5.602 521 H CYS 72 H CYS 72 122.632 -1.757 -1.757 522 HA CYS 72 HA CYS 72 124.480 -0.826 -0.826 523 1HB CYS 72 2HB CYS 72 124.082 -0.104 -0.104 524 2HB CYS 72 1HB CYS 72 122.767 0.911 0.911 525 HG CYS 72 HG CYS 72 125.760 1.489 1.489 526 H ALA 73 H ALA 73 124.462 0.709 0.709 527 HA ALA 73 HA ALA 73 121.762 1.561 1.561 528 1HB ALA 73 2HB ALA 73 123.091 -0.432 -0.432 529 2HB ALA 73 1HB ALA 73 124.055 0.856 0.856 530 3HB ALA 73 3HB ALA 73 122.323 0.768 0.768 531 H ASP 74 H ASP 74 123.252 2.814 2.814 532 HA ASP 74 HA ASP 74 124.286 5.211 5.211 533 1HB ASP 74 2HB ASP 74 122.318 4.765 4.765 534 2HB ASP 74 1HB ASP 74 123.615 5.742 5.742 535 HA PRO 75 HA PRO 75 128.150 4.286 4.286 536 1HB PRO 75 2HB PRO 75 129.403 6.691 6.691 537 2HB PRO 75 1HB PRO 75 129.173 5.509 5.509 538 1HG PRO 75 2HG PRO 75 127.647 7.989 7.989 539 2HG PRO 75 1HG PRO 75 128.107 7.296 7.296 540 1HD PRO 75 2HD PRO 75 125.604 7.087 7.087 541 2HD PRO 75 1HD PRO 75 126.284 5.920 5.920 542 H ALA 76 H ALA 76 126.051 6.909 6.909 543 HA ALA 76 HA ALA 76 127.477 7.869 7.869 544 1HB ALA 76 2HB ALA 76 124.599 7.918 7.918 545 2HB ALA 76 1HB ALA 76 125.124 8.747 8.747 546 3HB ALA 76 3HB ALA 76 125.788 9.218 9.218 547 H THR 77 H THR 77 124.544 5.806 5.806 548 HA THR 77 HA THR 77 125.416 4.443 4.443 549 HB THR 77 HB THR 77 122.520 4.693 4.693 550 HG1 THR 77 HG1 THR 77 122.371 6.843 6.843 551 1HG2 THR 77 3HG2 THR 77 124.553 4.902 4.902 552 2HG2 THR 77 2HG2 THR 77 123.129 5.917 5.917 553 3HG2 THR 77 1HG2 THR 77 122.947 4.173 4.173 554 H LEU 78 H LEU 78 125.573 3.659 3.659 555 HA LEU 78 HA LEU 78 124.988 1.851 1.851 556 1HB LEU 78 2HB LEU 78 125.588 0.981 0.981 557 2HB LEU 78 1HB LEU 78 124.769 -0.231 -0.231 558 HG LEU 78 HG LEU 78 127.391 1.162 1.162 559 1HD1 LEU 78 3HD1 LEU 78 127.304 -0.863 -0.863 560 2HD1 LEU 78 2HD1 LEU 78 126.703 -1.783 -1.783 561 3HD1 LEU 78 1HD1 LEU 78 128.310 -1.056 -1.056 562 1HD2 LEU 78 1HD2 LEU 78 125.403 -0.010 -0.010 563 2HD2 LEU 78 3HD2 LEU 78 126.797 1.007 1.007 564 3HD2 LEU 78 2HD2 LEU 78 127.004 -0.733 -0.733 565 H THR 79 H THR 79 122.651 3.382 3.382 566 HA THR 79 HA THR 79 120.540 1.597 1.597 567 HB THR 79 HB THR 79 120.589 4.272 4.272 568 HG1 THR 79 HG1 THR 79 120.171 3.500 3.500 569 1HG2 THR 79 3HG2 THR 79 118.293 2.727 2.727 570 2HG2 THR 79 2HG2 THR 79 118.215 4.442 4.442 571 3HG2 THR 79 1HG2 THR 79 118.449 3.244 3.244 572 H ARG 80 H ARG 80 120.421 -0.236 -0.236 573 HA ARG 80 HA ARG 80 120.435 0.003 0.003 574 1HB ARG 80 2HB ARG 80 120.767 -1.982 -1.982 575 2HB ARG 80 1HB ARG 80 119.309 -2.446 -2.446 576 1HG ARG 80 2HG ARG 80 120.591 -3.223 -3.223 577 2HG ARG 80 1HG ARG 80 121.208 -1.593 -1.593 578 1HD ARG 80 2HD ARG 80 122.743 -2.210 -2.210 579 2HD ARG 80 1HD ARG 80 122.436 -3.856 -3.856 580 HE ARG 80 HE ARG 80 123.085 -2.192 -2.192 581 1HH1 ARG 80 1HH2 ARG 80 124.345 -4.816 -4.816 582 2HH1 ARG 80 2HH2 ARG 80 125.977 -4.443 -4.443 583 1HH2 ARG 80 2HH1 ARG 80 125.257 -1.197 -1.197 584 2HH2 ARG 80 1HH1 ARG 80 126.495 -2.396 -2.396 585 HA PRO 81 HA PRO 81 116.126 0.706 0.706 586 1HB PRO 81 2HB PRO 81 115.511 -0.940 -0.940 587 2HB PRO 81 1HB PRO 81 116.459 0.550 0.550 588 1HG PRO 81 2HG PRO 81 117.399 -2.273 -2.273 589 2HG PRO 81 1HG PRO 81 117.955 -0.969 -0.969 590 1HD PRO 81 2HD PRO 81 119.301 -1.705 -1.705 591 2HD PRO 81 1HD PRO 81 119.285 -0.031 -0.031 592 H VAL 82 H VAL 82 117.294 -2.252 -2.252 593 HA VAL 82 HA VAL 82 114.825 -3.786 -3.786 594 HB VAL 82 HB VAL 82 117.335 -3.995 -3.995 595 1HG1 VAL 82 2HG1 VAL 82 115.218 -6.014 -6.014 596 2HG1 VAL 82 1HG1 VAL 82 116.698 -6.403 -6.403 597 3HG1 VAL 82 3HG1 VAL 82 115.482 -5.361 -5.361 598 1HG2 VAL 82 2HG2 VAL 82 117.476 -3.987 -3.987 599 2HG2 VAL 82 1HG2 VAL 82 118.400 -5.147 -5.147 600 3HG2 VAL 82 3HG2 VAL 82 116.886 -5.637 -5.637 601 H HIS 83 H HIS 83 116.399 -1.430 -1.430 602 HA HIS 83 HA HIS 83 114.719 -1.915 -1.915 603 1HB HIS 83 2HB HIS 83 116.387 0.484 0.484 604 2HB HIS 83 1HB HIS 83 115.777 0.195 0.195 605 HD2 HIS 83 HD2 HIS 83 118.066 -0.598 -0.598 606 HE1 HIS 83 HE1 HIS 83 119.475 -3.433 -3.433 607 HE2 HIS 83 HE2 HIS 83 119.841 -2.402 -2.402 608 H ASP 84 H ASP 84 114.683 0.120 0.120 609 HA ASP 84 HA ASP 84 112.659 1.987 1.987 610 1HB ASP 84 2HB ASP 84 113.731 0.591 0.591 611 2HB ASP 84 1HB ASP 84 112.287 1.575 1.575 612 H ALA 85 H ALA 85 112.227 -1.101 -1.101 613 HA ALA 85 HA ALA 85 109.402 -1.163 -1.163 614 1HB ALA 85 2HB ALA 85 111.243 -2.672 -2.672 615 2HB ALA 85 1HB ALA 85 111.143 -3.585 -3.585 616 3HB ALA 85 3HB ALA 85 109.725 -3.438 -3.438 617 H ALA 86 H ALA 86 111.487 -2.980 -2.980 618 HA ALA 86 HA ALA 86 109.511 -3.809 -3.809 619 1HB ALA 86 3HB ALA 86 112.086 -4.279 -4.279 620 2HB ALA 86 2HB ALA 86 112.255 -3.000 -3.000 621 3HB ALA 86 1HB ALA 86 111.343 -4.461 -4.461 622 H ARG 87 H ARG 87 111.719 -1.002 -1.002 623 HA ARG 87 HA ARG 87 110.640 0.081 0.081 624 1HB ARG 87 2HB ARG 87 112.611 0.889 0.889 625 2HB ARG 87 1HB ARG 87 111.509 1.584 1.584 626 1HG ARG 87 2HG ARG 87 110.545 2.562 2.562 627 2HG ARG 87 1HG ARG 87 112.297 2.615 2.615 628 1HD ARG 87 2HD ARG 87 112.518 3.888 3.888 629 2HD ARG 87 1HD ARG 87 110.759 3.818 3.818 630 HE ARG 87 HE ARG 87 111.028 4.820 4.820 631 1HH1 ARG 87 1HH2 ARG 87 113.484 5.677 5.677 632 2HH1 ARG 87 2HH2 ARG 87 113.069 7.353 7.353 633 1HH2 ARG 87 2HH1 ARG 87 109.970 6.991 6.991 634 2HH2 ARG 87 1HH1 ARG 87 111.089 8.097 8.097 635 H GLU 88 H GLU 88 109.207 0.141 0.141 636 HA GLU 88 HA GLU 88 107.028 1.937 1.937 637 1HB GLU 88 2HB GLU 88 108.531 1.659 1.659 638 2HB GLU 88 1HB GLU 88 106.891 1.158 1.158 639 1HG GLU 88 2HG GLU 88 107.674 3.766 3.766 640 2HG GLU 88 1HG GLU 88 107.142 3.578 3.578 641 H GLY 89 H GLY 89 107.613 -1.330 -1.330 642 1HA GLY 89 2HA GLY 89 106.192 -3.188 -3.188 643 2HA GLY 89 1HA GLY 89 104.875 -2.044 -2.044 644 H PHE 90 H PHE 90 107.015 -2.941 -2.941 645 HA PHE 90 HA PHE 90 104.536 -3.291 -3.291 646 1HB PHE 90 2HB PHE 90 106.263 -1.143 -1.143 647 2HB PHE 90 1HB PHE 90 106.877 -2.195 -2.195 648 HD1 PHE 90 HD1 PHE 90 105.165 -3.179 -3.179 649 HD2 PHE 90 HD2 PHE 90 104.329 0.145 0.145 650 HE1 PHE 90 HE1 PHE 90 103.261 -2.537 -2.537 651 HE2 PHE 90 HE2 PHE 90 102.426 0.792 0.792 652 HZ PHE 90 HZ PHE 90 101.894 -0.549 -0.549 653 H LEU 91 H LEU 91 104.881 -5.590 -5.590 654 HA LEU 91 HA LEU 91 107.273 -7.003 -7.003 655 1HB LEU 91 2HB LEU 91 104.619 -7.525 -7.525 656 2HB LEU 91 1HB LEU 91 104.813 -8.328 -8.328 657 HG LEU 91 HG LEU 91 105.445 -9.900 -9.900 658 1HD1 LEU 91 1HD1 LEU 91 107.122 -9.114 -9.114 659 2HD1 LEU 91 3HD1 LEU 91 108.198 -9.195 -9.195 660 3HD1 LEU 91 2HD1 LEU 91 107.254 -10.610 -10.610 661 1HD2 LEU 91 3HD2 LEU 91 105.886 -8.213 -8.213 662 2HD2 LEU 91 2HD2 LEU 91 107.192 -9.387 -9.387 663 3HD2 LEU 91 1HD2 LEU 91 107.388 -7.775 -7.775 664 H ASP 92 H ASP 92 104.602 -6.071 -6.071 665 HA ASP 92 HA ASP 92 105.270 -7.278 -7.278 666 1HB ASP 92 2HB ASP 92 103.435 -5.583 -5.583 667 2HB ASP 92 1HB ASP 92 104.620 -4.335 -4.335 668 H THR 93 H THR 93 106.705 -4.267 -4.267 669 HA THR 93 HA THR 93 108.516 -3.762 -3.762 670 HB THR 93 HB THR 93 108.627 -3.196 -3.196 671 HG1 THR 93 HG1 THR 93 107.657 -1.795 -1.795 672 1HG2 THR 93 2HG2 THR 93 110.187 -1.934 -1.934 673 2HG2 THR 93 1HG2 THR 93 110.194 -1.381 -1.381 674 3HG2 THR 93 3HG2 THR 93 110.858 -2.963 -2.963 675 H LEU 94 H LEU 94 109.025 -5.471 -5.471 676 HA LEU 94 HA LEU 94 111.715 -6.275 -6.275 677 1HB LEU 94 2HB LEU 94 109.589 -6.668 -6.668 678 2HB LEU 94 1HB LEU 94 110.073 -8.287 -8.287 679 HG LEU 94 HG LEU 94 112.393 -7.826 -7.826 680 1HD1 LEU 94 2HD1 LEU 94 111.533 -5.116 -5.116 681 2HD1 LEU 94 1HD1 LEU 94 112.088 -5.367 -5.367 682 3HD1 LEU 94 3HD1 LEU 94 113.163 -5.712 -5.712 683 1HD2 LEU 94 3HD2 LEU 94 110.158 -7.759 -7.759 684 2HD2 LEU 94 2HD2 LEU 94 111.720 -8.554 -8.554 685 3HD2 LEU 94 1HD2 LEU 94 111.528 -6.868 -6.868 686 H VAL 95 H VAL 95 108.693 -7.966 -7.966 687 HA VAL 95 HA VAL 95 109.821 -10.334 -10.334 688 HB VAL 95 HB VAL 95 107.407 -8.738 -8.738 689 1HG1 VAL 95 3HG1 VAL 95 108.459 -10.867 -10.867 690 2HG1 VAL 95 2HG1 VAL 95 107.501 -11.715 -11.715 691 3HG1 VAL 95 1HG1 VAL 95 106.721 -10.587 -10.587 692 1HG2 VAL 95 2HG2 VAL 95 107.988 -10.402 -10.402 693 2HG2 VAL 95 1HG2 VAL 95 106.792 -9.125 -9.125 694 3HG2 VAL 95 3HG2 VAL 95 106.460 -10.754 -10.754 695 H VAL 96 H VAL 96 109.018 -7.291 -7.291 696 HA VAL 96 HA VAL 96 109.933 -7.999 -7.999 697 HB VAL 96 HB VAL 96 110.166 -5.337 -5.337 698 1HG1 VAL 96 1HG1 VAL 96 110.962 -6.142 -6.142 699 2HG1 VAL 96 3HG1 VAL 96 109.497 -5.179 -5.179 700 3HG1 VAL 96 2HG1 VAL 96 110.893 -4.502 -4.502 701 1HG2 VAL 96 2HG2 VAL 96 107.879 -6.918 -6.918 702 2HG2 VAL 96 1HG2 VAL 96 107.913 -5.323 -5.323 703 3HG2 VAL 96 3HG2 VAL 96 107.921 -5.475 -5.475 704 H LEU 97 H LEU 97 111.835 -6.352 -6.352 705 HA LEU 97 HA LEU 97 114.330 -6.196 -6.196 706 1HB LEU 97 2HB LEU 97 113.680 -6.917 -6.917 707 2HB LEU 97 1HB LEU 97 115.228 -6.293 -6.293 708 HG LEU 97 HG LEU 97 112.802 -4.717 -4.717 709 1HD1 LEU 97 1HD1 LEU 97 113.635 -5.351 -5.351 710 2HD1 LEU 97 3HD1 LEU 97 113.470 -3.629 -3.629 711 3HD1 LEU 97 2HD1 LEU 97 112.104 -4.712 -4.712 712 1HD2 LEU 97 3HD2 LEU 97 115.375 -4.292 -4.292 713 2HD2 LEU 97 2HD2 LEU 97 114.318 -2.945 -2.945 714 3HD2 LEU 97 1HD2 LEU 97 115.348 -3.682 -3.682 715 H HIS 98 H HIS 98 113.520 -8.784 -8.784 716 HA HIS 98 HA HIS 98 115.600 -10.576 -10.576 717 1HB HIS 98 2HB HIS 98 114.019 -10.543 -10.543 718 2HB HIS 98 1HB HIS 98 112.800 -11.262 -11.262 719 HD1 HIS 98 HD1 HIS 98 113.517 -13.008 -13.008 720 HD2 HIS 98 HD2 HIS 98 115.791 -13.008 -13.008 721 HE1 HIS 98 HE1 HIS 98 114.752 -15.217 -15.217 722 H ARG 99 H ARG 99 112.405 -10.068 -10.068 723 HA ARG 99 HA ARG 99 112.319 -12.415 -12.415 724 1HB ARG 99 2HB ARG 99 110.334 -11.144 -11.144 725 2HB ARG 99 1HB ARG 99 111.019 -9.679 -9.679 726 1HG ARG 99 2HG ARG 99 111.011 -10.754 -10.754 727 2HG ARG 99 1HG ARG 99 110.282 -12.197 -12.197 728 1HD ARG 99 2HD ARG 99 108.289 -11.191 -11.191 729 2HD ARG 99 1HD ARG 99 108.625 -10.163 -10.163 730 HE ARG 99 HE ARG 99 109.754 -8.572 -8.572 731 1HH1 ARG 99 1HH2 ARG 99 106.772 -9.705 -9.705 732 2HH1 ARG 99 2HH2 ARG 99 106.835 -9.454 -9.454 733 1HH2 ARG 99 2HH1 ARG 99 110.241 -8.823 -8.823 734 2HH2 ARG 99 1HH1 ARG 99 108.794 -8.949 -8.949 735 H ALA 100 H ALA 100 114.330 -9.659 -9.659 736 HA ALA 100 HA ALA 100 115.124 -10.427 -10.427 737 1HB ALA 100 1HB ALA 100 113.814 -7.906 -7.906 738 2HB ALA 100 3HB ALA 100 115.071 -7.771 -7.771 739 3HB ALA 100 2HB ALA 100 113.647 -8.768 -8.768 740 H GLY 101 H GLY 101 116.774 -11.027 -11.027 741 1HA GLY 101 2HA GLY 101 118.926 -10.700 -10.700 742 2HA GLY 101 1HA GLY 101 119.149 -9.606 -9.606 743 H ALA 102 H ALA 102 118.888 -9.802 -9.802 744 HA ALA 102 HA ALA 102 119.262 -6.920 -6.920 745 1HB ALA 102 1HB ALA 102 116.697 -8.268 -8.268 746 2HB ALA 102 3HB ALA 102 117.156 -6.610 -6.610 747 3HB ALA 102 2HB ALA 102 116.844 -7.064 -7.064 748 H ARG 103 H ARG 103 120.637 -6.725 -6.725 749 HA ARG 103 HA ARG 103 121.212 -8.927 -8.927 750 1HB ARG 103 2HB ARG 103 122.965 -7.398 -7.398 751 2HB ARG 103 1HB ARG 103 121.950 -5.996 -5.996 752 1HG ARG 103 2HG ARG 103 122.438 -6.045 -6.045 753 2HG ARG 103 1HG ARG 103 122.189 -7.786 -7.786 754 1HD ARG 103 2HD ARG 103 124.583 -7.390 -7.390 755 2HD ARG 103 1HD ARG 103 124.681 -6.360 -6.360 756 HE ARG 103 HE ARG 103 123.692 -8.667 -8.667 757 1HH1 ARG 103 2HH1 ARG 103 126.435 -7.868 -7.868 758 2HH1 ARG 103 1HH1 ARG 103 127.304 -9.307 -9.307 759 1HH2 ARG 103 1HH2 ARG 103 124.774 -10.598 -10.598 760 2HH2 ARG 103 2HH2 ARG 103 126.370 -10.844 -10.844 761 H LEU 104 H LEU 104 119.765 -9.527 -9.527 762 HA LEU 104 HA LEU 104 118.147 -7.386 -7.386 763 1HB LEU 104 2HB LEU 104 117.501 -9.816 -9.816 764 2HB LEU 104 1HB LEU 104 117.326 -10.136 -10.136 765 HG LEU 104 HG LEU 104 116.219 -7.543 -7.543 766 1HD1 LEU 104 2HD1 LEU 104 115.562 -9.993 -9.993 767 2HD1 LEU 104 1HD1 LEU 104 114.147 -9.303 -9.303 768 3HD1 LEU 104 3HD1 LEU 104 115.078 -8.330 -8.330 769 1HD2 LEU 104 2HD2 LEU 104 116.000 -9.265 -9.265 770 2HD2 LEU 104 1HD2 LEU 104 114.955 -7.884 -7.884 771 3HD2 LEU 104 3HD2 LEU 104 114.475 -9.494 -9.494 772 H ASP 105 H ASP 105 120.974 -8.373 -8.373 773 HA ASP 105 HA ASP 105 120.412 -8.809 -8.809 774 1HB ASP 105 2HB ASP 105 122.330 -10.588 -10.588 775 2HB ASP 105 1HB ASP 105 120.696 -11.042 -11.042 776 H VAL 106 H VAL 106 121.209 -6.389 -6.389 777 HA VAL 106 HA VAL 106 124.193 -6.316 -6.316 778 HB VAL 106 HB VAL 106 122.913 -5.244 -5.244 779 1HG1 VAL 106 2HG1 VAL 106 121.398 -4.177 -4.177 780 2HG1 VAL 106 1HG1 VAL 106 122.201 -2.828 -2.828 781 3HG1 VAL 106 3HG1 VAL 106 121.168 -3.914 -3.914 782 1HG2 VAL 106 3HG2 VAL 106 125.203 -4.496 -4.496 783 2HG2 VAL 106 2HG2 VAL 106 124.440 -3.519 -3.519 784 3HG2 VAL 106 1HG2 VAL 106 124.272 -3.063 -3.063 785 H ARG 107 H ARG 107 124.777 -4.040 -4.040 786 HA ARG 107 HA ARG 107 123.166 -3.823 -3.823 787 1HB ARG 107 2HB ARG 107 126.162 -4.072 -4.072 788 2HB ARG 107 1HB ARG 107 125.426 -3.638 -3.638 789 1HG ARG 107 2HG ARG 107 124.246 -5.748 -5.748 790 2HG ARG 107 1HG ARG 107 124.764 -6.166 -6.166 791 1HD ARG 107 2HD ARG 107 127.160 -5.593 -5.593 792 2HD ARG 107 1HD ARG 107 126.208 -6.501 -6.501 793 HE ARG 107 HE ARG 107 125.758 -7.992 -7.992 794 1HH1 ARG 107 2HH1 ARG 107 128.237 -7.879 -7.879 795 2HH1 ARG 107 1HH1 ARG 107 129.468 -8.475 -8.475 796 1HH2 ARG 107 1HH2 ARG 107 127.511 -8.193 -8.193 797 2HH2 ARG 107 2HH2 ARG 107 129.051 -8.664 -8.664 798 H ASP 108 H ASP 108 122.733 -1.709 -1.709 799 HA ASP 108 HA ASP 108 123.571 0.450 0.450 800 1HB ASP 108 2HB ASP 108 121.851 -0.036 -0.036 801 2HB ASP 108 1HB ASP 108 122.490 1.604 1.604 802 H ALA 109 H ALA 109 125.990 -0.410 -0.410 803 HA ALA 109 HA ALA 109 128.041 0.080 0.080 804 1HB ALA 109 3HB ALA 109 126.417 2.597 2.597 805 2HB ALA 109 2HB ALA 109 127.964 2.627 2.627 806 3HB ALA 109 1HB ALA 109 127.903 2.192 2.192 807 H TRP 110 H TRP 110 126.323 2.306 2.306 808 HA TRP 110 HA TRP 110 126.735 0.369 0.369 809 1HB TRP 110 2HB TRP 110 126.975 2.725 2.725 810 2HB TRP 110 1HB TRP 110 128.352 1.946 1.946 811 HD1 TRP 110 HD1 TRP 110 129.638 3.396 3.396 812 HE1 TRP 110 HE1 TRP 110 129.160 5.526 5.526 813 HE3 TRP 110 HE3 TRP 110 124.697 4.081 4.081 814 HZ2 TRP 110 HZ2 TRP 110 126.984 7.285 7.285 815 HZ3 TRP 110 HZ3 TRP 110 123.449 5.988 5.988 816 HH2 TRP 110 HH2 TRP 110 124.586 7.592 7.592 817 H GLY 111 H GLY 111 124.325 1.097 1.097 818 1HA GLY 111 2HA GLY 111 122.583 2.393 2.393 819 2HA GLY 111 1HA GLY 111 122.136 2.003 2.003 820 H ARG 112 H ARG 112 121.947 -0.361 -0.361 821 HA ARG 112 HA ARG 112 121.837 -2.452 -2.452 822 1HB ARG 112 2HB ARG 112 119.741 -0.480 -0.480 823 2HB ARG 112 1HB ARG 112 119.033 -2.033 -2.033 824 1HG ARG 112 2HG ARG 112 120.052 -3.136 -3.136 825 2HG ARG 112 1HG ARG 112 121.109 -1.763 -1.763 826 1HD ARG 112 2HD ARG 112 119.208 -0.396 -0.396 827 2HD ARG 112 1HD ARG 112 118.082 -1.696 -1.696 828 HE ARG 112 HE ARG 112 120.226 -2.369 -2.369 829 1HH1 ARG 112 2HH1 ARG 112 117.732 -0.483 -0.483 830 2HH1 ARG 112 1HH1 ARG 112 116.786 -1.629 -1.629 831 1HH2 ARG 112 1HH2 ARG 112 118.650 -4.367 -4.367 832 2HH2 ARG 112 2HH2 ARG 112 117.300 -3.827 -3.827 833 H LEU 113 H LEU 113 119.402 -3.730 -3.730 834 HA LEU 113 HA LEU 113 120.112 -4.298 -4.298 835 1HB LEU 113 2HB LEU 113 119.003 -5.764 -5.764 836 2HB LEU 113 1HB LEU 113 118.514 -6.318 -6.318 837 HG LEU 113 HG LEU 113 120.621 -7.384 -7.384 838 1HD1 LEU 113 3HD1 LEU 113 120.590 -6.162 -6.162 839 2HD1 LEU 113 2HD1 LEU 113 121.801 -7.334 -7.334 840 3HD1 LEU 113 1HD1 LEU 113 120.098 -7.790 -7.790 841 1HD2 LEU 113 3HD2 LEU 113 121.747 -4.699 -4.699 842 2HD2 LEU 113 2HD2 LEU 113 121.720 -5.345 -5.345 843 3HD2 LEU 113 1HD2 LEU 113 122.719 -6.108 -6.108 844 HA PRO 114 HA PRO 114 116.216 -2.910 -2.910 845 1HB PRO 114 2HB PRO 114 115.380 -4.945 -4.945 846 2HB PRO 114 1HB PRO 114 116.711 -3.852 -3.852 847 1HG PRO 114 2HG PRO 114 116.809 -6.617 -6.617 848 2HG PRO 114 1HG PRO 114 117.823 -5.857 -5.857 849 1HD PRO 114 2HD PRO 114 118.633 -6.193 -6.193 850 2HD PRO 114 1HD PRO 114 119.192 -4.853 -4.853 851 H VAL 115 H VAL 115 116.308 -6.024 -6.024 852 HA VAL 115 HA VAL 115 113.393 -6.240 -6.240 853 HB VAL 115 HB VAL 115 115.096 -8.143 -8.143 854 1HG1 VAL 115 1HG1 VAL 115 116.714 -7.211 -7.211 855 2HG1 VAL 115 3HG1 VAL 115 115.519 -7.397 -7.397 856 3HG1 VAL 115 2HG1 VAL 115 116.171 -8.822 -8.822 857 1HG2 VAL 115 2HG2 VAL 115 113.080 -7.999 -7.999 858 2HG2 VAL 115 1HG2 VAL 115 112.830 -8.639 -8.639 859 3HG2 VAL 115 3HG2 VAL 115 113.876 -9.494 -9.494 860 H ASP 116 H ASP 116 116.115 -5.308 -5.308 861 HA ASP 116 HA ASP 116 114.803 -5.051 -5.051 862 1HB ASP 116 2HB ASP 116 116.982 -3.442 -3.442 863 2HB ASP 116 1HB ASP 116 116.547 -3.209 -3.209 864 H LEU 117 H LEU 117 114.851 -2.778 -2.778 865 HA LEU 117 HA LEU 117 113.524 -0.578 -0.578 866 1HB LEU 117 2HB LEU 117 114.076 -1.633 -1.633 867 2HB LEU 117 1HB LEU 117 112.698 -0.536 -0.536 868 HG LEU 117 HG LEU 117 115.444 0.078 0.078 869 1HD1 LEU 117 2HD1 LEU 117 114.888 -0.089 -0.089 870 2HD1 LEU 117 1HD1 LEU 117 114.400 1.575 1.575 871 3HD1 LEU 117 3HD1 LEU 117 116.044 1.053 1.053 872 1HD2 LEU 117 3HD2 LEU 117 112.791 1.383 1.383 873 2HD2 LEU 117 2HD2 LEU 117 114.168 1.594 1.594 874 3HD2 LEU 117 1HD2 LEU 117 114.120 2.447 2.447 875 H ALA 118 H ALA 118 112.096 -3.104 -3.104 876 HA ALA 118 HA ALA 118 109.380 -2.500 -2.500 877 1HB ALA 118 1HB ALA 118 110.907 -5.091 -5.091 878 2HB ALA 118 3HB ALA 118 109.145 -5.027 -5.027 879 3HB ALA 118 2HB ALA 118 110.120 -4.136 -4.136 880 H GLU 119 H GLU 119 111.446 -4.454 -4.454 881 HA GLU 119 HA GLU 119 109.485 -5.458 -5.458 882 1HB GLU 119 2HB GLU 119 112.334 -4.503 -4.503 883 2HB GLU 119 1HB GLU 119 111.433 -5.384 -5.384 884 1HG GLU 119 2HG GLU 119 111.003 -7.112 -7.112 885 2HG GLU 119 1HG GLU 119 112.401 -6.344 -6.344 886 H GLU 120 H GLU 120 111.252 -2.349 -2.349 887 HA GLU 120 HA GLU 120 109.828 -1.402 -1.402 888 1HB GLU 120 2HB GLU 120 112.115 -0.766 -0.766 889 2HB GLU 120 1HB GLU 120 111.047 0.613 0.613 890 1HG GLU 120 2HG GLU 120 111.041 1.212 1.212 891 2HG GLU 120 1HG GLU 120 111.302 -0.442 -0.442 892 H LEU 121 H LEU 121 109.282 -1.287 -1.287 893 HA LEU 121 HA LEU 121 107.290 0.869 0.869 894 1HB LEU 121 2HB LEU 121 108.554 -0.826 -0.826 895 2HB LEU 121 1HB LEU 121 107.091 0.085 0.085 896 HG LEU 121 HG LEU 121 108.862 1.812 1.812 897 1HD1 LEU 121 1HD1 LEU 121 110.144 0.097 0.097 898 2HD1 LEU 121 3HD1 LEU 121 110.611 1.794 1.794 899 3HD1 LEU 121 2HD1 LEU 121 110.824 0.727 0.727 900 1HD2 LEU 121 2HD2 LEU 121 107.155 1.851 1.851 901 2HD2 LEU 121 1HD2 LEU 121 107.997 3.225 3.225 902 3HD2 LEU 121 3HD2 LEU 121 108.742 2.326 2.326 903 H GLY 122 H GLY 122 106.855 -2.162 -2.162 904 1HA GLY 122 2HA GLY 122 105.121 -3.667 -3.667 905 2HA GLY 122 1HA GLY 122 104.087 -2.329 -2.329 906 H HIS 123 H HIS 123 106.718 -3.892 -3.892 907 HA HIS 123 HA HIS 123 104.791 -4.453 -4.453 908 1HB HIS 123 2HB HIS 123 107.823 -4.296 -4.296 909 2HB HIS 123 1HB HIS 123 106.796 -4.305 -4.305 910 HD1 HIS 123 HD1 HIS 123 104.653 -2.296 -2.296 911 HD2 HIS 123 HD2 HIS 123 108.683 -1.646 -1.646 912 HE1 HIS 123 HE1 HIS 123 104.932 0.204 0.204 913 H ARG 124 H ARG 124 104.560 -6.227 -6.227 914 HA ARG 124 HA ARG 124 106.169 -8.424 -8.424 915 1HB ARG 124 2HB ARG 124 104.007 -9.669 -9.669 916 2HB ARG 124 1HB ARG 124 103.965 -8.088 -8.088 917 1HG ARG 124 2HG ARG 124 102.928 -7.159 -7.159 918 2HG ARG 124 1HG ARG 124 102.809 -8.810 -8.810 919 1HD ARG 124 2HD ARG 124 101.454 -7.667 -7.667 920 2HD ARG 124 1HD ARG 124 100.678 -8.314 -8.314 921 HE ARG 124 HE ARG 124 102.163 -10.450 -10.450 922 1HH1 ARG 124 2HH1 ARG 124 101.654 -8.521 -8.521 923 2HH1 ARG 124 1HH1 ARG 124 100.562 -9.562 -9.562 924 1HH2 ARG 124 1HH2 ARG 124 100.106 -11.710 -11.710 925 2HH2 ARG 124 2HH2 ARG 124 99.680 -11.366 -11.366 926 H ASP 125 H ASP 125 104.103 -7.855 -7.855 927 HA ASP 125 HA ASP 125 104.549 -10.350 -10.350 928 1HB ASP 125 2HB ASP 125 103.729 -7.567 -7.567 929 2HB ASP 125 1HB ASP 125 104.207 -8.617 -8.617 930 H VAL 126 H VAL 126 106.352 -7.285 -7.285 931 HA VAL 126 HA VAL 126 108.400 -8.375 -8.375 932 HB VAL 126 HB VAL 126 108.698 -5.795 -5.795 933 1HG1 VAL 126 3HG1 VAL 126 109.489 -7.013 -7.013 934 2HG1 VAL 126 2HG1 VAL 126 109.167 -5.281 -5.281 935 3HG1 VAL 126 1HG1 VAL 126 110.397 -5.933 -5.933 936 1HG2 VAL 126 1HG2 VAL 126 106.636 -6.357 -6.357 937 2HG2 VAL 126 3HG2 VAL 126 106.364 -5.630 -5.630 938 3HG2 VAL 126 2HG2 VAL 126 107.235 -4.735 -4.735 939 H ALA 127 H ALA 127 108.127 -7.453 -7.453 940 HA ALA 127 HA ALA 127 110.776 -7.840 -7.840 941 1HB ALA 127 2HB ALA 127 108.089 -7.786 -7.786 942 2HB ALA 127 1HB ALA 127 109.096 -8.949 -8.949 943 3HB ALA 127 3HB ALA 127 109.603 -7.262 -7.262 944 H ARG 128 H ARG 128 108.202 -10.302 -10.302 945 HA ARG 128 HA ARG 128 110.029 -12.486 -12.486 946 1HB ARG 128 2HB ARG 128 107.215 -12.466 -12.466 947 2HB ARG 128 1HB ARG 128 108.013 -13.848 -13.848 948 1HG ARG 128 2HG ARG 128 107.820 -12.978 -12.978 949 2HG ARG 128 1HG ARG 128 107.855 -11.309 -11.309 950 1HD ARG 128 2HD ARG 128 105.593 -11.481 -11.481 951 2HD ARG 128 1HD ARG 128 105.539 -12.061 -12.061 952 HE ARG 128 HE ARG 128 104.936 -14.154 -14.154 953 1HH1 ARG 128 2HH1 ARG 128 106.323 -12.230 -12.230 954 2HH1 ARG 128 1HH1 ARG 128 106.529 -13.558 -13.558 955 1HH2 ARG 128 1HH2 ARG 128 105.445 -15.948 -15.948 956 2HH2 ARG 128 2HH2 ARG 128 106.036 -15.657 -15.657 957 H TYR 129 H TYR 129 108.409 -11.337 -11.337 958 HA TYR 129 HA TYR 129 109.449 -13.382 -13.382 959 1HB TYR 129 2HB TYR 129 107.551 -11.953 -11.953 960 2HB TYR 129 1HB TYR 129 108.571 -10.519 -10.519 961 HD1 TYR 129 HD2 TYR 129 110.262 -10.036 -10.036 962 HD2 TYR 129 HD1 TYR 129 107.733 -13.496 -13.496 963 HE1 TYR 129 HE2 TYR 129 110.936 -10.329 -10.329 964 HE2 TYR 129 HE1 TYR 129 108.408 -13.792 -13.792 965 HH TYR 129 HH TYR 129 111.023 -12.023 -12.023 966 H LEU 130 H LEU 130 110.450 -9.943 -9.943 967 HA LEU 130 HA LEU 130 112.826 -10.195 -10.195 968 1HB LEU 130 2HB LEU 130 113.135 -7.986 -7.986 969 2HB LEU 130 1HB LEU 130 111.439 -8.179 -8.179 970 HG LEU 130 HG LEU 130 112.419 -8.955 -8.955 971 1HD1 LEU 130 2HD1 LEU 130 114.759 -7.985 -7.985 972 2HD1 LEU 130 1HD1 LEU 130 114.509 -7.099 -7.099 973 3HD1 LEU 130 3HD1 LEU 130 114.677 -8.854 -8.854 974 1HD2 LEU 130 2HD2 LEU 130 111.085 -6.846 -6.846 975 2HD2 LEU 130 1HD2 LEU 130 112.063 -6.753 -6.753 976 3HD2 LEU 130 3HD2 LEU 130 112.642 -6.023 -6.023 977 H ARG 131 H ARG 131 112.203 -10.924 -10.924 978 HA ARG 131 HA ARG 131 114.937 -11.136 -11.136 979 1HB ARG 131 2HB ARG 131 113.214 -10.949 -10.949 980 2HB ARG 131 1HB ARG 131 112.263 -12.236 -12.236 981 1HG ARG 131 2HG ARG 131 113.465 -13.889 -13.889 982 2HG ARG 131 1HG ARG 131 114.977 -12.985 -12.985 983 1HD ARG 131 2HD ARG 131 114.657 -12.038 -12.038 984 2HD ARG 131 1HD ARG 131 112.928 -11.770 -11.770 985 HE ARG 131 HE ARG 131 114.128 -14.259 -14.259 986 1HH1 ARG 131 1HH2 ARG 131 111.641 -12.522 -12.522 987 2HH1 ARG 131 2HH2 ARG 131 110.379 -13.661 -13.661 988 1HH2 ARG 131 2HH1 ARG 131 112.403 -15.764 -15.764 989 2HH2 ARG 131 1HH1 ARG 131 110.808 -15.492 -15.492 990 H ALA 132 H ALA 132 112.780 -13.329 -13.329 991 HA ALA 132 HA ALA 132 114.368 -15.722 -15.722 992 1HB ALA 132 2HB ALA 132 111.881 -15.362 -15.362 993 2HB ALA 132 1HB ALA 132 112.541 -15.192 -15.192 994 3HB ALA 132 3HB ALA 132 112.776 -16.693 -16.693 995 H ALA 133 H ALA 133 114.184 -13.266 -13.266 996 HA ALA 133 HA ALA 133 116.309 -14.603 -14.603 997 1HB ALA 133 3HB ALA 133 114.092 -13.262 -13.262 998 2HB ALA 133 2HB ALA 133 115.220 -11.907 -11.907 999 3HB ALA 133 1HB ALA 133 115.517 -13.286 -13.286 1000 H ALA 134 H ALA 134 116.096 -12.203 -12.203 1001 HA ALA 134 HA ALA 134 118.702 -10.985 -10.985 1002 1HB ALA 134 1HB ALA 134 116.735 -9.523 -9.523 1003 2HB ALA 134 3HB ALA 134 116.609 -10.145 -10.145 1004 3HB ALA 134 2HB ALA 134 118.014 -9.195 -9.195 1005 H GLY 135 H GLY 135 117.093 -12.664 -12.664 1006 1HA GLY 135 2HA GLY 135 119.448 -13.888 -13.888 1007 2HA GLY 135 1HA GLY 135 119.236 -12.390 -12.390 1008 H GLY 136 H GLY 136 117.881 -15.560 -15.560 1009 1HA GLY 136 2HA GLY 136 115.910 -15.102 -15.102 1010 2HA GLY 136 1HA GLY 136 115.667 -16.256 -16.256 1011 H THR 137 H THR 137 118.632 -15.745 -15.745 1012 HA THR 137 HA THR 137 118.685 -18.647 -18.647 1013 HB THR 137 HB THR 137 120.990 -18.116 -18.116 1014 HG1 THR 137 HG1 THR 137 121.259 -16.188 -16.188 1015 1HG2 THR 137 3HG2 THR 137 119.915 -17.764 -17.764 1016 2HG2 THR 137 2HG2 THR 137 121.104 -16.481 -16.481 1017 3HG2 THR 137 1HG2 THR 137 121.578 -18.167 -18.167 1018 H ARG 138 H ARG 138 118.008 -19.418 -19.418 1019 HA ARG 138 HA ARG 138 117.135 -17.568 -17.568 1020 1HB ARG 138 2HB ARG 138 117.299 -20.599 -20.599 1021 2HB ARG 138 1HB ARG 138 116.369 -19.665 -19.665 1022 1HG ARG 138 2HG ARG 138 114.651 -19.471 -19.471 1023 2HG ARG 138 1HG ARG 138 115.713 -18.793 -18.793 1024 1HD ARG 138 2HD ARG 138 116.317 -20.996 -20.996 1025 2HD ARG 138 1HD ARG 138 115.471 -21.768 -21.768 1026 HE ARG 138 HE ARG 138 114.173 -20.439 -20.439 1027 1HH1 ARG 138 1HH2 ARG 138 113.551 -23.208 -23.208 1028 2HH1 ARG 138 2HH2 ARG 138 112.042 -22.919 -22.919 1029 1HH2 ARG 138 2HH1 ARG 138 112.401 -19.474 -19.474 1030 2HH2 ARG 138 1HH1 ARG 138 111.398 -20.810 -20.810 1031 H GLY 139 H GLY 139 119.504 -20.263 -20.263 1032 1HA GLY 139 2HA GLY 139 120.619 -19.945 -19.945 1033 2HA GLY 139 1HA GLY 139 121.503 -20.596 -20.596 1034 H SER 140 H SER 140 121.994 -18.456 -18.456 1035 HA SER 140 HA SER 140 122.475 -15.932 -15.932 1036 1HB SER 140 2HB SER 140 123.917 -15.591 -15.591 1037 2HB SER 140 1HB SER 140 122.475 -16.476 -16.476 1038 HG SER 140 HG SER 140 123.706 -18.396 -18.396 1039 H ASN 141 H ASN 141 124.248 -18.945 -18.945 1040 HA ASN 141 HA ASN 141 126.825 -17.951 -17.951 1041 1HB ASN 141 2HB ASN 141 125.238 -20.469 -20.469 1042 2HB ASN 141 1HB ASN 141 126.692 -20.321 -20.321 1043 1HD2 ASN 141 1HD2 ASN 141 128.700 -19.481 -19.481 1044 2HD2 ASN 141 2HD2 ASN 141 128.878 -20.165 -20.165 1045 H HIS 142 H HIS 142 126.924 -16.416 -16.416 1046 HA HIS 142 HA HIS 142 125.175 -16.429 -16.429 1047 1HB HIS 142 2HB HIS 142 126.518 -14.548 -14.548 1048 2HB HIS 142 1HB HIS 142 126.414 -14.485 -14.485 1049 HD1 HIS 142 HD1 HIS 142 128.817 -13.773 -13.773 1050 HD2 HIS 142 HD2 HIS 142 128.851 -16.430 -16.430 1051 HE1 HIS 142 HE1 HIS 142 131.251 -14.196 -14.196 1052 H ALA 143 H ALA 143 127.551 -15.900 -15.900 1053 HA ALA 143 HA ALA 143 128.743 -17.140 -17.140 1054 1HB ALA 143 3HB ALA 143 129.805 -17.696 -17.696 1055 2HB ALA 143 2HB ALA 143 129.055 -19.275 -19.275 1056 3HB ALA 143 1HB ALA 143 130.246 -18.678 -18.678 1057 H ARG 144 H ARG 144 125.870 -17.495 -17.495 1058 HA ARG 144 HA ARG 144 125.157 -20.301 -20.301 1059 1HB ARG 144 2HB ARG 144 123.538 -18.639 -18.639 1060 2HB ARG 144 1HB ARG 144 123.861 -17.677 -17.677 1061 1HG ARG 144 2HG ARG 144 121.831 -18.801 -18.801 1062 2HG ARG 144 1HG ARG 144 123.060 -19.728 -19.728 1063 1HD ARG 144 2HD ARG 144 122.477 -21.582 -21.582 1064 2HD ARG 144 1HD ARG 144 122.842 -20.750 -20.750 1065 HE ARG 144 HE ARG 144 120.351 -19.771 -19.771 1066 1HH1 ARG 144 1HH2 ARG 144 120.748 -20.673 -20.673 1067 2HH1 ARG 144 2HH2 ARG 144 119.762 -22.095 -22.095 1068 1HH2 ARG 144 2HH1 ARG 144 119.531 -22.441 -22.441 1069 2HH2 ARG 144 1HH1 ARG 144 119.072 -23.094 -23.094 1070 H ILE 145 H ILE 145 126.095 -21.501 -21.501 1071 HA ILE 145 HA ILE 145 126.639 -20.315 -20.315 1072 HB ILE 145 HB ILE 145 127.002 -23.010 -23.010 1073 1HG1 ILE 145 2HG1 ILE 145 128.904 -20.917 -20.917 1074 2HG1 ILE 145 1HG1 ILE 145 128.568 -21.217 -21.217 1075 1HG2 ILE 145 1HG2 ILE 145 126.449 -23.382 -23.382 1076 2HG2 ILE 145 3HG2 ILE 145 127.750 -22.279 -22.279 1077 3HG2 ILE 145 2HG2 ILE 145 128.123 -23.797 -23.797 1078 1HD1 ILE 145 3HD1 ILE 145 129.280 -23.715 -23.715 1079 2HD1 ILE 145 2HD1 ILE 145 130.470 -22.530 -22.530 1080 3HD1 ILE 145 1HD1 ILE 145 130.189 -22.777 -22.777 1081 H ASP 146 H ASP 146 125.324 -20.560 -20.560 1082 HA ASP 146 HA ASP 146 123.415 -21.130 -21.130 1083 1HB ASP 146 2HB ASP 146 124.659 -23.392 -23.392 1084 2HB ASP 146 1HB ASP 146 123.111 -23.636 -23.636 1085 H ALA 147 H ALA 147 122.500 -19.324 -19.324 1086 HA ALA 147 HA ALA 147 120.758 -20.084 -20.084 1087 1HB ALA 147 2HB ALA 147 121.845 -17.835 -17.835 1088 2HB ALA 147 1HB ALA 147 120.614 -17.625 -17.625 1089 3HB ALA 147 3HB ALA 147 120.144 -17.757 -17.757 1090 H ALA 148 H ALA 148 118.901 -21.253 -21.253 1091 HA ALA 148 HA ALA 148 116.839 -21.969 -21.969 1092 1HB ALA 148 3HB ALA 148 117.069 -19.182 -19.182 1093 2HB ALA 148 2HB ALA 148 116.498 -19.772 -19.772 1094 3HB ALA 148 1HB ALA 148 115.585 -20.129 -20.129 1095 H GLU 149 H GLU 149 116.352 -23.382 -23.382 1096 HA GLU 149 HA GLU 149 118.233 -24.188 -24.188 1097 1HB GLU 149 2HB GLU 149 115.837 -25.051 -25.051 1098 2HB GLU 149 1HB GLU 149 115.323 -24.316 -24.316 1099 1HG GLU 149 2HG GLU 149 117.760 -25.992 -25.992 1100 2HG GLU 149 1HG GLU 149 116.266 -26.860 -26.860 1101 H GLY 150 H GLY 150 118.408 -23.774 -23.774 1102 1HA GLY 150 2HA GLY 150 116.814 -21.750 -21.750 1103 2HA GLY 150 1HA GLY 150 118.385 -21.109 -21.109 1104 HA PRO 151 HA PRO 151 119.133 -22.909 -22.909 1105 1HB PRO 151 2HB PRO 151 121.259 -21.279 -21.279 1106 2HB PRO 151 1HB PRO 151 119.571 -20.792 -20.792 1107 1HG PRO 151 2HG PRO 151 121.411 -20.126 -20.126 1108 2HG PRO 151 1HG PRO 151 120.243 -19.096 -19.096 1109 1HD PRO 151 2HD PRO 151 119.745 -20.189 -20.189 1110 2HD PRO 151 1HD PRO 151 118.465 -19.873 -19.873 1111 H SER 152 H SER 152 120.959 -24.192 -24.192 1112 HA SER 152 HA SER 152 122.341 -25.690 -25.690 1113 1HB SER 152 2HB SER 152 122.833 -26.912 -26.912 1114 2HB SER 152 1HB SER 152 121.912 -25.720 -25.720 1115 HG SER 152 HG SER 152 124.096 -26.054 -26.054 1116 H ASP 153 H ASP 153 124.879 -25.870 -25.870 1117 HA ASP 153 HA ASP 153 125.976 -23.231 -23.231 1118 1HB ASP 153 2HB ASP 153 127.940 -24.683 -24.683 1119 2HB ASP 153 1HB ASP 153 126.423 -25.145 -25.145 1120 H ILE 154 H ILE 154 126.533 -22.012 -22.012 1121 HA ILE 154 HA ILE 154 128.360 -23.320 -23.320 1122 HB ILE 154 HB ILE 154 126.095 -21.344 -21.344 1123 1HG1 ILE 154 2HG1 ILE 154 126.418 -24.157 -24.157 1124 2HG1 ILE 154 1HG1 ILE 154 125.556 -23.809 -23.809 1125 1HG2 ILE 154 2HG2 ILE 154 128.295 -21.240 -21.240 1126 2HG2 ILE 154 1HG2 ILE 154 127.631 -22.699 -22.699 1127 3HG2 ILE 154 3HG2 ILE 154 126.715 -21.193 -21.193 1128 1HD1 ILE 154 3HD1 ILE 154 124.266 -22.057 -22.057 1129 2HD1 ILE 154 2HD1 ILE 154 124.832 -23.060 -23.060 1130 3HD1 ILE 154 1HD1 ILE 154 123.818 -23.762 -23.762 1131 HA PRO 155 HA PRO 155 130.307 -19.500 -19.500 1132 1HB PRO 155 2HB PRO 155 132.727 -20.643 -20.643 1133 2HB PRO 155 1HB PRO 155 131.364 -20.657 -20.657 1134 1HG PRO 155 2HG PRO 155 132.398 -22.818 -22.818 1135 2HG PRO 155 1HG PRO 155 131.662 -22.915 -22.915 1136 1HD PRO 155 2HD PRO 155 130.371 -23.500 -23.500 1137 2HD PRO 155 1HD PRO 155 129.561 -23.095 -23.095 1138 H ASP 156 HN ASP 156 131.394 -18.145 -18.145 1139 HA ASP 156 HA ASP 156 132.827 -19.456 -19.456 1140 1HB ASP 156 2HB ASP 156 132.020 -17.563 -17.563 1141 2HB ASP 156 1HB ASP 156 130.662 -18.349 -18.349
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