NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11157 | 1r2a | 4473 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H HIS 1 1H HIS 1 88.722 47.768 62.614 2 2H HIS 1 2H HIS 1 89.694 47.347 61.287 3 3H HIS 1 3H HIS 1 90.363 47.407 62.847 4 HA HIS 1 HA HIS 1 91.070 49.386 61.786 5 1HB HIS 1 1HB HIS 1 89.352 50.768 60.604 6 2HB HIS 1 2HB HIS 1 89.500 49.150 59.919 7 HD1 HIS 1 HD1 HIS 1 87.222 51.263 62.055 8 HD2 HIS 1 HD2 HIS 1 87.221 47.507 60.246 9 HE1 HIS 1 HE1 HIS 1 84.858 50.374 62.251 10 H MET 2 H MET 2 90.747 51.635 62.658 11 HA MET 2 HA MET 2 89.185 51.587 65.223 12 1HB MET 2 1HB MET 2 91.632 51.536 65.489 13 2HB MET 2 2HB MET 2 91.781 52.972 64.476 14 1HG MET 2 1HG MET 2 91.320 54.334 66.212 15 2HG MET 2 2HG MET 2 89.869 53.416 66.614 16 1HE MET 2 1HE MET 2 93.418 53.712 66.470 17 2HE MET 2 2HE MET 2 93.806 53.859 68.189 18 3HE MET 2 3HE MET 2 94.099 52.342 67.344 19 H GLY 3 H GLY 3 90.119 53.474 62.379 20 1HA GLY 3 1HA GLY 3 87.721 55.079 62.533 21 2HA GLY 3 2HA GLY 3 89.135 56.008 63.032 22 H HIS 4 H HIS 4 88.478 57.268 61.019 23 HA HIS 4 HA HIS 4 89.369 55.946 58.493 24 1HB HIS 4 1HB HIS 4 87.297 57.755 59.281 25 2HB HIS 4 2HB HIS 4 88.345 58.597 58.140 26 HD1 HIS 4 HD1 HIS 4 89.074 56.726 56.051 27 HD2 HIS 4 HD2 HIS 4 85.335 56.439 57.870 28 HE1 HIS 4 HE1 HIS 4 87.596 55.434 54.450 29 H ILE 5 H ILE 5 91.047 57.255 60.806 30 HA ILE 5 HA ILE 5 92.740 58.904 58.968 31 HB ILE 5 HB ILE 5 91.863 59.474 61.818 32 1HG1 ILE 5 1HG1 ILE 5 91.313 61.699 60.395 33 2HG1 ILE 5 2HG1 ILE 5 91.173 60.500 59.108 34 1HG2 ILE 5 1HG2 ILE 5 94.009 60.707 60.090 35 2HG2 ILE 5 2HG2 ILE 5 93.212 61.638 61.359 36 3HG2 ILE 5 3HG2 ILE 5 94.119 60.183 61.770 37 1HD1 ILE 5 1HD1 ILE 5 89.870 59.745 61.650 38 2HD1 ILE 5 2HD1 ILE 5 89.148 61.130 60.830 39 3HD1 ILE 5 3HD1 ILE 5 89.287 59.583 59.994 40 H GLN 6 H GLN 6 94.369 57.339 58.736 41 HA GLN 6 HA GLN 6 96.007 56.805 61.149 42 1HB GLN 6 1HB GLN 6 94.184 55.032 60.836 43 2HB GLN 6 2HB GLN 6 95.032 54.564 59.361 44 1HG GLN 6 1HG GLN 6 96.581 53.428 60.535 45 2HG GLN 6 2HG GLN 6 96.894 54.824 61.565 46 1HE2 GLN 6 2HE2 GLN 6 95.380 55.123 63.460 47 2HE2 GLN 6 1HE2 GLN 6 94.632 53.758 64.136 48 H ILE 7 H ILE 7 96.733 58.461 59.052 49 HA ILE 7 HA ILE 7 98.008 57.298 56.816 50 HB ILE 7 HB ILE 7 97.496 59.692 57.195 51 1HG1 ILE 7 1HG1 ILE 7 100.397 59.913 56.984 52 2HG1 ILE 7 2HG1 ILE 7 99.745 58.614 55.989 53 1HG2 ILE 7 1HG2 ILE 7 98.364 59.419 59.673 54 2HG2 ILE 7 2HG2 ILE 7 99.908 59.890 58.966 55 3HG2 ILE 7 3HG2 ILE 7 98.519 60.971 58.850 56 1HD1 ILE 7 1HD1 ILE 7 98.114 60.189 55.003 57 2HD1 ILE 7 2HD1 ILE 7 98.789 61.491 55.982 58 3HD1 ILE 7 3HD1 ILE 7 99.770 60.731 54.728 59 HA PRO 8 HA PRO 8 101.336 55.241 58.967 60 1HB PRO 8 1HB PRO 8 102.767 54.476 56.768 61 2HB PRO 8 2HB PRO 8 101.290 53.646 57.299 62 1HG PRO 8 1HG PRO 8 101.663 55.638 55.128 63 2HG PRO 8 2HG PRO 8 100.637 54.198 55.175 64 1HD PRO 8 1HD PRO 8 99.698 56.734 55.535 65 2HD PRO 8 2HD PRO 8 98.929 55.291 56.230 66 HA PRO 9 HA PRO 9 104.241 58.614 58.959 67 1HB PRO 9 1HB PRO 9 106.109 57.519 60.632 68 2HB PRO 9 2HB PRO 9 104.567 58.184 61.209 69 1HG PRO 9 1HG PRO 9 105.354 55.352 60.753 70 2HG PRO 9 2HG PRO 9 104.362 56.056 62.039 71 1HD PRO 9 1HD PRO 9 103.330 54.732 59.886 72 2HD PRO 9 2HD PRO 9 102.455 55.995 60.780 73 H GLY 10 H GLY 10 106.804 58.739 58.693 74 1HA GLY 10 1HA GLY 10 108.793 57.853 57.647 75 2HA GLY 10 2HA GLY 10 107.816 56.564 56.944 76 H LEU 11 H LEU 11 105.718 58.404 56.011 77 HA LEU 11 HA LEU 11 106.803 59.036 53.415 78 1HB LEU 11 1HB LEU 11 104.272 59.120 54.888 79 2HB LEU 11 2HB LEU 11 104.426 60.444 53.732 80 HG LEU 11 HG LEU 11 105.366 58.333 52.262 81 1HD1 LEU 11 1HD1 LEU 11 103.570 57.314 54.397 82 2HD1 LEU 11 2HD1 LEU 11 103.232 56.741 52.764 83 3HD1 LEU 11 3HD1 LEU 11 104.821 56.473 53.481 84 1HD2 LEU 11 1HD2 LEU 11 103.324 60.157 52.119 85 2HD2 LEU 11 2HD2 LEU 11 103.614 58.899 50.918 86 3HD2 LEU 11 3HD2 LEU 11 102.428 58.640 52.197 87 H THR 12 H THR 12 105.534 61.207 55.980 88 HA THR 12 HA THR 12 106.284 63.672 54.860 89 HB THR 12 HB THR 12 106.272 62.736 57.748 90 HG1 THR 12 HG1 THR 12 104.240 62.572 57.247 91 1HG2 THR 12 1HG2 THR 12 107.464 64.928 57.294 92 2HG2 THR 12 2HG2 THR 12 105.927 65.549 56.690 93 3HG2 THR 12 3HG2 THR 12 106.074 65.045 58.374 94 H GLU 13 H GLU 13 108.285 61.263 56.468 95 HA GLU 13 HA GLU 13 110.588 62.967 56.908 96 1HB GLU 13 1HB GLU 13 110.089 59.985 56.741 97 2HB GLU 13 2HB GLU 13 111.678 60.653 57.118 98 1HG GLU 13 1HG GLU 13 110.327 62.050 58.906 99 2HG GLU 13 2HG GLU 13 109.154 60.744 58.734 100 H LEU 14 H LEU 14 110.073 60.314 54.542 101 HA LEU 14 HA LEU 14 112.356 60.779 52.950 102 1HB LEU 14 1HB LEU 14 109.852 59.327 52.870 103 2HB LEU 14 2HB LEU 14 110.242 59.953 51.267 104 HG LEU 14 HG LEU 14 112.663 59.050 51.869 105 1HD1 LEU 14 1HD1 LEU 14 111.977 58.397 54.178 106 2HD1 LEU 14 2HD1 LEU 14 110.839 57.242 53.483 107 3HD1 LEU 14 3HD1 LEU 14 112.572 57.028 53.238 108 1HD2 LEU 14 1HD2 LEU 14 110.351 57.999 50.499 109 2HD2 LEU 14 2HD2 LEU 14 112.057 57.795 50.098 110 3HD2 LEU 14 3HD2 LEU 14 111.271 56.671 51.208 111 H LEU 15 H LEU 15 109.120 62.265 52.755 112 HA LEU 15 HA LEU 15 109.529 63.731 50.333 113 1HB LEU 15 1HB LEU 15 107.841 64.306 52.793 114 2HB LEU 15 2HB LEU 15 107.617 65.062 51.215 115 HG LEU 15 HG LEU 15 107.550 62.064 51.626 116 1HD1 LEU 15 1HD1 LEU 15 105.714 63.734 52.725 117 2HD1 LEU 15 2HD1 LEU 15 105.041 63.555 51.105 118 3HD1 LEU 15 3HD1 LEU 15 105.318 62.131 52.107 119 1HD2 LEU 15 1HD2 LEU 15 108.031 62.924 49.337 120 2HD2 LEU 15 2HD2 LEU 15 106.480 62.088 49.421 121 3HD2 LEU 15 3HD2 LEU 15 106.531 63.851 49.393 122 H GLN 16 H GLN 16 110.079 64.631 53.755 123 HA GLN 16 HA GLN 16 110.867 67.321 53.399 124 1HB GLN 16 1HB GLN 16 110.764 65.411 55.425 125 2HB GLN 16 2HB GLN 16 112.479 65.811 55.327 126 1HG GLN 16 1HG GLN 16 111.563 68.295 55.229 127 2HG GLN 16 2HG GLN 16 110.159 67.576 56.019 128 1HE2 GLN 16 2HE2 GLN 16 112.971 69.133 56.772 129 2HE2 GLN 16 1HE2 GLN 16 113.299 68.431 58.282 130 H GLY 17 H GLY 17 112.740 64.322 53.002 131 1HA GLY 17 1HA GLY 17 115.314 65.453 52.661 132 2HA GLY 17 2HA GLY 17 114.785 63.945 51.910 133 H TYR 18 H TYR 18 112.928 64.595 50.124 134 HA TYR 18 HA TYR 18 114.199 65.588 47.853 135 1HB TYR 18 1HB TYR 18 111.800 64.537 48.458 136 2HB TYR 18 2HB TYR 18 111.312 66.223 48.285 137 HD1 TYR 18 HD1 TYR 18 113.861 64.101 46.529 138 HD2 TYR 18 HD2 TYR 18 110.339 66.567 46.184 139 HE1 TYR 18 HE1 TYR 18 113.941 63.867 44.043 140 HE2 TYR 18 HE2 TYR 18 110.414 66.338 43.703 141 HH TYR 18 HH TYR 18 111.412 65.313 41.969 142 H THR 19 H THR 19 112.393 67.410 50.313 143 HA THR 19 HA THR 19 112.396 69.959 49.022 144 HB THR 19 HB THR 19 112.646 69.660 51.996 145 HG1 THR 19 HG1 THR 19 110.351 68.979 51.852 146 1HG2 THR 19 1HG2 THR 19 110.785 71.145 50.125 147 2HG2 THR 19 2HG2 THR 19 110.653 71.172 51.883 148 3HG2 THR 19 3HG2 THR 19 112.084 71.838 51.096 149 H VAL 20 H VAL 20 114.779 68.353 51.113 150 HA VAL 20 HA VAL 20 116.522 70.700 51.265 151 HB VAL 20 HB VAL 20 116.875 67.769 51.968 152 1HG1 VAL 20 1HG1 VAL 20 119.029 68.974 51.650 153 2HG1 VAL 20 2HG1 VAL 20 118.499 70.190 52.813 154 3HG1 VAL 20 3HG1 VAL 20 118.764 68.526 53.335 155 1HG2 VAL 20 1HG2 VAL 20 115.496 70.021 53.217 156 2HG2 VAL 20 2HG2 VAL 20 115.434 68.307 53.626 157 3HG2 VAL 20 3HG2 VAL 20 116.718 69.323 54.280 158 H GLU 21 H GLU 21 116.199 67.906 49.162 159 HA GLU 21 HA GLU 21 118.899 68.177 48.015 160 1HB GLU 21 1HB GLU 21 116.651 66.710 46.665 161 2HB GLU 21 2HB GLU 21 118.343 66.252 46.807 162 1HG GLU 21 1HG GLU 21 117.493 66.254 49.439 163 2HG GLU 21 2HG GLU 21 116.084 65.643 48.568 164 H VAL 22 H VAL 22 115.597 68.512 46.733 165 HA VAL 22 HA VAL 22 116.228 69.697 44.255 166 HB VAL 22 HB VAL 22 113.845 70.257 46.052 167 1HG1 VAL 22 1HG1 VAL 22 114.437 71.361 43.649 168 2HG1 VAL 22 2HG1 VAL 22 113.599 69.902 43.124 169 3HG1 VAL 22 3HG1 VAL 22 112.789 71.048 44.191 170 1HG2 VAL 22 1HG2 VAL 22 114.795 67.761 45.127 171 2HG2 VAL 22 2HG2 VAL 22 113.206 68.104 45.809 172 3HG2 VAL 22 3HG2 VAL 22 113.453 68.183 44.065 173 H LEU 23 H LEU 23 115.947 71.157 47.469 174 HA LEU 23 HA LEU 23 116.023 73.910 46.541 175 1HB LEU 23 1HB LEU 23 115.115 72.995 48.725 176 2HB LEU 23 2HB LEU 23 116.786 72.749 49.236 177 HG LEU 23 HG LEU 23 117.192 75.202 48.753 178 1HD1 LEU 23 1HD1 LEU 23 114.237 75.005 48.242 179 2HD1 LEU 23 2HD1 LEU 23 114.908 76.500 48.895 180 3HD1 LEU 23 3HD1 LEU 23 115.466 75.890 47.337 181 1HD2 LEU 23 1HD2 LEU 23 116.698 74.219 51.039 182 2HD2 LEU 23 2HD2 LEU 23 116.279 75.923 50.864 183 3HD2 LEU 23 3HD2 LEU 23 115.016 74.694 50.801 184 H ARG 24 H ARG 24 118.449 71.537 47.576 185 HA ARG 24 HA ARG 24 120.624 73.541 47.368 186 1HB ARG 24 1HB ARG 24 120.108 70.943 48.608 187 2HB ARG 24 2HB ARG 24 121.686 71.001 47.822 188 1HG ARG 24 1HG ARG 24 121.908 71.773 50.127 189 2HG ARG 24 2HG ARG 24 122.170 73.130 49.031 190 1HD ARG 24 1HD ARG 24 119.993 74.027 49.459 191 2HD ARG 24 2HD ARG 24 119.461 72.535 50.260 192 HE ARG 24 HE ARG 24 120.589 73.253 52.208 193 1HH1 ARG 24 1HH1 ARG 24 120.684 75.781 50.086 194 2HH1 ARG 24 2HH1 ARG 24 122.166 76.471 50.658 195 1HH2 ARG 24 1HH2 ARG 24 122.961 73.759 52.667 196 2HH2 ARG 24 2HH2 ARG 24 123.455 75.326 52.120 197 H GLN 25 H GLN 25 120.148 70.228 46.069 198 HA GLN 25 HA GLN 25 122.093 70.299 44.048 199 1HB GLN 25 1HB GLN 25 120.073 68.621 44.950 200 2HB GLN 25 2HB GLN 25 119.597 68.965 43.287 201 1HG GLN 25 1HG GLN 25 122.456 68.266 43.866 202 2HG GLN 25 2HG GLN 25 121.255 66.976 43.799 203 1HE2 GLN 25 1HE2 GLN 25 123.024 66.712 41.808 204 2HE2 GLN 25 2HE2 GLN 25 122.437 67.299 40.328 205 H GLN 26 H GLN 26 118.695 71.361 43.870 206 HA GLN 26 HA GLN 26 117.582 72.681 42.254 207 1HB GLN 26 1HB GLN 26 120.259 73.725 42.824 208 2HB GLN 26 2HB GLN 26 119.654 74.245 41.250 209 1HG GLN 26 1HG GLN 26 117.446 74.506 42.931 210 2HG GLN 26 2HG GLN 26 118.798 75.060 43.919 211 1HE2 GLN 26 2HE2 GLN 26 120.441 76.134 41.802 212 2HE2 GLN 26 1HE2 GLN 26 119.647 77.492 41.164 213 HA PRO 27 HA PRO 27 119.506 70.071 38.846 214 1HB PRO 27 1HB PRO 27 117.387 68.377 38.479 215 2HB PRO 27 2HB PRO 27 118.706 68.044 39.620 216 1HG PRO 27 1HG PRO 27 115.980 69.124 40.143 217 2HG PRO 27 2HG PRO 27 116.932 67.961 41.079 218 1HD PRO 27 1HD PRO 27 116.688 70.578 41.770 219 2HD PRO 27 2HD PRO 27 118.120 69.599 42.156 220 HA PRO 28 HA PRO 28 117.249 72.337 35.821 221 1HB PRO 28 1HB PRO 28 117.497 70.752 33.602 222 2HB PRO 28 2HB PRO 28 118.838 71.710 34.262 223 1HG PRO 28 1HG PRO 28 118.252 68.807 34.577 224 2HG PRO 28 2HG PRO 28 119.805 69.626 34.343 225 1HD PRO 28 1HD PRO 28 118.947 68.734 36.763 226 2HD PRO 28 2HD PRO 28 120.023 70.135 36.567 227 H ASP 29 H ASP 29 116.457 68.890 36.112 228 HA ASP 29 HA ASP 29 113.601 69.574 35.495 229 1HB ASP 29 1HB ASP 29 115.378 67.300 34.602 230 2HB ASP 29 2HB ASP 29 113.621 67.154 34.564 231 H LEU 30 H LEU 30 112.319 69.116 37.235 232 HA LEU 30 HA LEU 30 113.332 67.610 39.523 233 1HB LEU 30 1HB LEU 30 111.850 69.608 39.641 234 2HB LEU 30 2HB LEU 30 110.573 68.686 38.848 235 HG LEU 30 HG LEU 30 111.191 66.981 40.858 236 1HD1 LEU 30 1HD1 LEU 30 112.760 69.051 41.570 237 2HD1 LEU 30 2HD1 LEU 30 111.261 69.556 42.351 238 3HD1 LEU 30 3HD1 LEU 30 111.985 68.000 42.757 239 1HD2 LEU 30 1HD2 LEU 30 109.235 69.225 40.565 240 2HD2 LEU 30 2HD2 LEU 30 108.941 67.489 40.664 241 3HD2 LEU 30 3HD2 LEU 30 109.317 68.404 42.123 242 H VAL 31 H VAL 31 110.889 67.055 36.980 243 HA VAL 31 HA VAL 31 109.719 64.662 37.856 244 HB VAL 31 HB VAL 31 110.630 65.414 35.057 245 1HG1 VAL 31 1HG1 VAL 31 109.500 63.060 35.875 246 2HG1 VAL 31 2HG1 VAL 31 108.065 64.016 35.504 247 3HG1 VAL 31 3HG1 VAL 31 109.292 63.750 34.266 248 1HG2 VAL 31 1HG2 VAL 31 108.410 66.350 36.838 249 2HG2 VAL 31 2HG2 VAL 31 109.371 67.263 35.674 250 3HG2 VAL 31 3HG2 VAL 31 108.084 66.196 35.111 251 H ASP 32 H ASP 32 112.407 64.776 35.506 252 HA ASP 32 HA ASP 32 113.143 62.055 35.666 253 1HB ASP 32 1HB ASP 32 113.834 64.215 34.215 254 2HB ASP 32 2HB ASP 32 115.231 64.150 35.291 255 H PHE 33 H PHE 33 114.221 64.839 37.616 256 HA PHE 33 HA PHE 33 116.283 63.510 39.080 257 1HB PHE 33 1HB PHE 33 115.949 65.944 39.006 258 2HB PHE 33 2HB PHE 33 114.401 65.769 39.835 259 HD1 PHE 33 HD1 PHE 33 117.984 64.676 40.259 260 HD2 PHE 33 HD2 PHE 33 114.377 66.109 42.152 261 HE1 PHE 33 HE1 PHE 33 119.156 64.719 42.460 262 HE2 PHE 33 HE2 PHE 33 115.549 66.151 44.351 263 HZ PHE 33 HZ PHE 33 117.936 65.456 44.506 264 H ALA 34 H ALA 34 112.818 63.983 39.820 265 HA ALA 34 HA ALA 34 112.706 62.730 42.341 266 1HB ALA 34 1HB ALA 34 110.975 63.900 40.609 267 2HB ALA 34 2HB ALA 34 110.514 62.211 40.400 268 3HB ALA 34 3HB ALA 34 110.444 62.952 41.998 269 H VAL 35 H VAL 35 112.809 61.294 39.102 270 HA VAL 35 HA VAL 35 112.210 58.592 39.973 271 HB VAL 35 HB VAL 35 113.479 59.813 37.501 272 1HG1 VAL 35 1HG1 VAL 35 112.447 57.014 38.022 273 2HG1 VAL 35 2HG1 VAL 35 112.862 57.644 36.428 274 3HG1 VAL 35 3HG1 VAL 35 114.111 57.471 37.662 275 1HG2 VAL 35 1HG2 VAL 35 111.111 60.461 38.064 276 2HG2 VAL 35 2HG2 VAL 35 111.262 59.592 36.537 277 3HG2 VAL 35 3HG2 VAL 35 110.675 58.755 37.974 278 H GLU 36 H GLU 36 115.232 60.249 38.969 279 HA GLU 36 HA GLU 36 116.999 58.064 39.457 280 1HB GLU 36 1HB GLU 36 117.390 61.071 39.597 281 2HB GLU 36 2HB GLU 36 118.701 59.895 39.494 282 1HG GLU 36 1HG GLU 36 116.570 59.598 37.459 283 2HG GLU 36 2HG GLU 36 117.555 61.054 37.316 284 H TYR 37 H TYR 37 115.897 60.702 41.595 285 HA TYR 37 HA TYR 37 117.566 60.114 43.833 286 1HB TYR 37 1HB TYR 37 116.278 62.178 43.552 287 2HB TYR 37 2HB TYR 37 114.767 61.270 43.623 288 HD1 TYR 37 HD1 TYR 37 117.946 61.261 45.652 289 HD2 TYR 37 HD2 TYR 37 113.641 61.603 45.647 290 HE1 TYR 37 HE1 TYR 37 117.957 61.432 48.138 291 HE2 TYR 37 HE2 TYR 37 113.652 61.774 48.134 292 HH TYR 37 HH TYR 37 115.734 62.636 49.914 293 H PHE 38 H PHE 38 114.103 59.258 43.422 294 HA PHE 38 HA PHE 38 114.016 57.444 45.632 295 1HB PHE 38 1HB PHE 38 112.390 58.026 43.176 296 2HB PHE 38 2HB PHE 38 111.977 56.622 44.161 297 HD1 PHE 38 HD1 PHE 38 112.330 57.304 46.877 298 HD2 PHE 38 HD2 PHE 38 111.039 59.874 43.656 299 HE1 PHE 38 HE1 PHE 38 111.186 58.788 48.520 300 HE2 PHE 38 HE2 PHE 38 109.895 61.358 45.300 301 HZ PHE 38 HZ PHE 38 109.967 60.816 47.731 302 H THR 39 H THR 39 114.385 56.818 42.116 303 HA THR 39 HA THR 39 114.517 54.007 42.169 304 HB THR 39 HB THR 39 116.015 56.060 40.508 305 HG1 THR 39 HG1 THR 39 114.285 55.482 39.040 306 1HG2 THR 39 1HG2 THR 39 116.371 53.248 40.611 307 2HG2 THR 39 2HG2 THR 39 115.470 53.596 39.135 308 3HG2 THR 39 3HG2 THR 39 117.026 54.374 39.422 309 H ARG 40 H ARG 40 116.940 56.385 43.119 310 HA ARG 40 HA ARG 40 119.120 54.441 43.321 311 1HB ARG 40 1HB ARG 40 118.610 57.335 43.878 312 2HB ARG 40 2HB ARG 40 119.987 56.579 44.680 313 1HG ARG 40 1HG ARG 40 120.617 55.674 42.349 314 2HG ARG 40 2HG ARG 40 119.472 56.860 41.720 315 1HD ARG 40 1HD ARG 40 121.105 58.193 43.651 316 2HD ARG 40 2HD ARG 40 122.176 57.311 42.544 317 HE ARG 40 HE ARG 40 119.984 59.088 41.537 318 1HH1 ARG 40 1HH1 ARG 40 121.676 57.286 39.727 319 2HH1 ARG 40 2HH1 ARG 40 122.831 58.425 39.121 320 1HH2 ARG 40 1HH2 ARG 40 122.132 60.818 41.530 321 2HH2 ARG 40 2HH2 ARG 40 123.090 60.424 40.142 322 H LEU 41 H LEU 41 116.758 55.934 45.500 323 HA LEU 41 HA LEU 41 117.869 55.135 47.997 324 1HB LEU 41 1HB LEU 41 115.308 56.040 46.859 325 2HB LEU 41 2HB LEU 41 115.126 55.051 48.308 326 HG LEU 41 HG LEU 41 117.262 57.091 48.447 327 1HD1 LEU 41 1HD1 LEU 41 115.193 58.097 47.186 328 2HD1 LEU 41 2HD1 LEU 41 114.430 58.046 48.775 329 3HD1 LEU 41 3HD1 LEU 41 115.899 58.990 48.533 330 1HD2 LEU 41 1HD2 LEU 41 115.011 56.114 50.225 331 2HD2 LEU 41 2HD2 LEU 41 116.737 55.798 50.404 332 3HD2 LEU 41 3HD2 LEU 41 116.103 57.418 50.690 333 H ARG 42 H ARG 42 116.228 53.302 45.516 334 HA ARG 42 HA ARG 42 115.441 51.070 47.193 335 1HB ARG 42 1HB ARG 42 114.284 51.567 45.137 336 2HB ARG 42 2HB ARG 42 115.791 51.565 44.222 337 1HG ARG 42 1HG ARG 42 115.674 49.348 43.913 338 2HG ARG 42 2HG ARG 42 115.464 49.069 45.640 339 1HD ARG 42 1HD ARG 42 113.056 49.466 45.459 340 2HD ARG 42 2HD ARG 42 113.230 49.876 43.741 341 HE ARG 42 HE ARG 42 114.426 47.399 43.906 342 1HH1 ARG 42 1HH1 ARG 42 111.983 47.921 46.066 343 2HH1 ARG 42 2HH1 ARG 42 110.865 46.785 45.387 344 1HH2 ARG 42 1HH2 ARG 42 112.735 46.258 42.515 345 2HH2 ARG 42 2HH2 ARG 42 111.292 45.842 43.377 346 H GLU 43 H GLU 43 118.339 52.022 45.455 347 HA GLU 43 HA GLU 43 119.568 49.344 45.962 348 1HB GLU 43 1HB GLU 43 119.980 51.617 44.049 349 2HB GLU 43 2HB GLU 43 121.343 50.556 44.406 350 1HG GLU 43 1HG GLU 43 119.182 48.819 44.008 351 2HG GLU 43 2HG GLU 43 119.008 50.045 42.752 352 H ALA 44 H ALA 44 119.247 52.119 47.647 353 HA ALA 44 HA ALA 44 122.092 52.494 48.392 354 1HB ALA 44 1HB ALA 44 119.717 54.043 48.294 355 2HB ALA 44 2HB ALA 44 120.165 53.920 49.998 356 3HB ALA 44 3HB ALA 44 121.315 54.572 48.825 357 H ARG 45 H ARG 45 119.076 52.140 50.271 358 HA ARG 45 HA ARG 45 120.133 51.400 52.722 359 1HB ARG 45 1HB ARG 45 117.684 51.702 51.689 360 2HB ARG 45 2HB ARG 45 117.734 49.939 51.699 361 1HG ARG 45 1HG ARG 45 118.642 51.353 54.165 362 2HG ARG 45 2HG ARG 45 116.910 51.328 53.831 363 1HD ARG 45 1HD ARG 45 117.359 48.747 53.382 364 2HD ARG 45 2HD ARG 45 118.748 49.040 54.449 365 HE ARG 45 HE ARG 45 116.764 50.280 55.829 366 1HH1 ARG 45 1HH1 ARG 45 114.647 48.749 54.490 367 2HH1 ARG 45 2HH1 ARG 45 114.529 47.312 55.450 368 1HH2 ARG 45 1HH2 ARG 45 117.607 47.764 56.981 369 2HH2 ARG 45 2HH2 ARG 45 116.206 46.754 56.860 370 H ARG 46 H ARG 46 121.792 49.889 52.901 371 HA ARG 46 HA ARG 46 121.299 47.177 51.709 372 1HB ARG 46 1HB ARG 46 123.548 49.076 51.610 373 2HB ARG 46 2HB ARG 46 124.030 47.431 52.025 374 1HG ARG 46 1HG ARG 46 123.034 46.543 50.030 375 2HG ARG 46 2HG ARG 46 122.235 48.076 49.675 376 1HD ARG 46 1HD ARG 46 124.590 49.104 49.553 377 2HD ARG 46 2HD ARG 46 125.189 47.434 49.504 378 HE ARG 46 HE ARG 46 123.010 47.833 47.634 379 1HH1 ARG 46 1HH1 ARG 46 125.506 49.860 47.516 380 2HH1 ARG 46 2HH1 ARG 46 126.308 49.181 46.139 381 1HH2 ARG 46 1HH2 ARG 46 124.414 46.276 46.135 382 2HH2 ARG 46 2HH2 ARG 46 125.691 47.152 45.358 383 1H HIS 1 1H HIS 1 120.608 89.652 42.774 384 2H HIS 1 2H HIS 1 120.791 88.175 41.954 385 3H HIS 1 3H HIS 1 119.469 89.185 41.607 386 HA HIS 1 HA HIS 1 118.606 87.467 42.968 387 1HB HIS 1 1HB HIS 1 119.827 86.910 45.078 388 2HB HIS 1 2HB HIS 1 120.818 86.656 43.641 389 HD1 HIS 1 HD1 HIS 1 120.380 89.005 46.557 390 HD2 HIS 1 HD2 HIS 1 123.040 88.392 43.406 391 HE1 HIS 1 HE1 HIS 1 122.385 90.483 47.015 392 H MET 2 H MET 2 117.357 87.807 45.029 393 HA MET 2 HA MET 2 117.173 90.725 45.712 394 1HB MET 2 1HB MET 2 115.291 89.845 44.392 395 2HB MET 2 2HB MET 2 115.051 88.558 45.574 396 1HG MET 2 1HG MET 2 113.863 89.917 46.924 397 2HG MET 2 2HG MET 2 115.120 91.153 46.875 398 1HE MET 2 1HE MET 2 112.499 89.322 45.294 399 2HE MET 2 2HE MET 2 111.255 90.573 45.163 400 3HE MET 2 3HE MET 2 112.179 90.093 43.742 401 H GLY 3 H GLY 3 117.121 87.407 46.932 402 1HA GLY 3 1HA GLY 3 118.028 88.245 49.545 403 2HA GLY 3 2HA GLY 3 116.323 87.791 49.585 404 H HIS 4 H HIS 4 117.270 86.068 51.071 405 HA HIS 4 HA HIS 4 118.547 83.828 49.564 406 1HB HIS 4 1HB HIS 4 118.804 85.010 52.155 407 2HB HIS 4 2HB HIS 4 118.257 83.347 52.372 408 HD1 HIS 4 HD1 HIS 4 119.674 81.688 50.463 409 HD2 HIS 4 HD2 HIS 4 121.555 85.031 52.094 410 HE1 HIS 4 HE1 HIS 4 122.163 81.321 50.174 411 H ILE 5 H ILE 5 115.535 84.706 49.736 412 HA ILE 5 HA ILE 5 114.518 81.953 50.328 413 HB ILE 5 HB ILE 5 113.405 84.648 51.176 414 1HG1 ILE 5 1HG1 ILE 5 113.524 83.142 53.411 415 2HG1 ILE 5 2HG1 ILE 5 114.843 82.402 52.503 416 1HG2 ILE 5 1HG2 ILE 5 112.194 81.882 51.173 417 2HG2 ILE 5 2HG2 ILE 5 111.681 83.102 52.340 418 3HG2 ILE 5 3HG2 ILE 5 111.480 83.395 50.612 419 1HD1 ILE 5 1HD1 ILE 5 114.803 85.356 52.446 420 2HD1 ILE 5 2HD1 ILE 5 115.120 84.648 54.030 421 3HD1 ILE 5 3HD1 ILE 5 116.161 84.252 52.662 422 H GLN 6 H GLN 6 114.177 81.393 48.154 423 HA GLN 6 HA GLN 6 111.985 82.831 46.771 424 1HB GLN 6 1HB GLN 6 114.274 83.838 46.209 425 2HB GLN 6 2HB GLN 6 114.643 82.305 45.418 426 1HG GLN 6 1HG GLN 6 113.436 82.874 43.605 427 2HG GLN 6 2HG GLN 6 112.034 83.266 44.602 428 1HE2 GLN 6 2HE2 GLN 6 112.005 85.504 45.582 429 2HE2 GLN 6 1HE2 GLN 6 112.817 86.761 44.781 430 H ILE 7 H ILE 7 111.796 80.300 47.881 431 HA ILE 7 HA ILE 7 112.573 78.093 46.300 432 HB ILE 7 HB ILE 7 111.649 78.060 48.599 433 1HG1 ILE 7 1HG1 ILE 7 109.569 76.491 47.287 434 2HG1 ILE 7 2HG1 ILE 7 111.150 76.264 46.547 435 1HG2 ILE 7 1HG2 ILE 7 109.858 79.842 47.831 436 2HG2 ILE 7 2HG2 ILE 7 108.898 78.411 47.458 437 3HG2 ILE 7 3HG2 ILE 7 109.464 78.687 49.105 438 1HD1 ILE 7 1HD1 ILE 7 112.119 75.779 48.769 439 2HD1 ILE 7 2HD1 ILE 7 110.527 75.982 49.500 440 3HD1 ILE 7 3HD1 ILE 7 110.820 74.651 48.380 441 HA PRO 8 HA PRO 8 109.995 78.902 42.746 442 1HB PRO 8 1HB PRO 8 110.458 76.556 41.423 443 2HB PRO 8 2HB PRO 8 111.625 77.893 41.462 444 1HG PRO 8 1HG PRO 8 111.576 75.378 43.042 445 2HG PRO 8 2HG PRO 8 112.950 76.245 42.341 446 1HD PRO 8 1HD PRO 8 112.280 76.360 44.984 447 2HD PRO 8 2HD PRO 8 113.132 77.662 44.127 448 HA PRO 9 HA PRO 9 106.360 76.729 44.122 449 1HB PRO 9 1HB PRO 9 104.644 77.567 42.162 450 2HB PRO 9 2HB PRO 9 105.150 78.605 43.511 451 1HG PRO 9 1HG PRO 9 106.118 78.552 40.698 452 2HG PRO 9 2HG PRO 9 105.840 79.932 41.772 453 1HD PRO 9 1HD PRO 9 108.311 78.897 41.249 454 2HD PRO 9 2HD PRO 9 107.898 79.750 42.752 455 H GLY 10 H GLY 10 104.596 75.292 42.909 456 1HA GLY 10 1HA GLY 10 104.113 73.706 41.152 457 2HA GLY 10 2HA GLY 10 105.775 73.871 40.584 458 H LEU 11 H LEU 11 106.932 73.584 43.268 459 HA LEU 11 HA LEU 11 107.206 70.715 43.336 460 1HB LEU 11 1HB LEU 11 108.228 73.116 44.673 461 2HB LEU 11 2HB LEU 11 108.114 71.731 45.759 462 HG LEU 11 HG LEU 11 109.166 70.567 43.515 463 1HD1 LEU 11 1HD1 LEU 11 109.816 73.465 43.506 464 2HD1 LEU 11 2HD1 LEU 11 111.171 72.368 43.244 465 3HD1 LEU 11 3HD1 LEU 11 109.775 72.316 42.168 466 1HD2 LEU 11 1HD2 LEU 11 109.880 70.936 46.137 467 2HD2 LEU 11 2HD2 LEU 11 110.869 70.085 44.950 468 3HD2 LEU 11 3HD2 LEU 11 111.179 71.786 45.300 469 H THR 12 H THR 12 105.795 72.954 45.768 470 HA THR 12 HA THR 12 104.710 71.047 47.520 471 HB THR 12 HB THR 12 103.640 73.746 46.632 472 HG1 THR 12 HG1 THR 12 105.442 74.295 47.556 473 1HG2 THR 12 1HG2 THR 12 102.016 72.273 47.903 474 2HG2 THR 12 2HG2 THR 12 103.156 72.305 49.248 475 3HG2 THR 12 3HG2 THR 12 102.406 73.801 48.692 476 H GLU 13 H GLU 13 103.532 72.093 44.373 477 HA GLU 13 HA GLU 13 100.863 70.992 44.620 478 1HB GLU 13 1HB GLU 13 102.674 71.812 42.336 479 2HB GLU 13 2HB GLU 13 101.028 71.237 42.069 480 1HG GLU 13 1HG GLU 13 100.430 73.038 43.906 481 2HG GLU 13 2HG GLU 13 101.962 73.754 43.404 482 H LEU 14 H LEU 14 103.680 69.862 42.701 483 HA LEU 14 HA LEU 14 102.651 67.338 41.967 484 1HB LEU 14 1HB LEU 14 105.159 68.782 42.022 485 2HB LEU 14 2HB LEU 14 105.431 67.082 42.408 486 HG LEU 14 HG LEU 14 103.779 66.702 40.366 487 1HD1 LEU 14 1HD1 LEU 14 103.372 69.147 40.084 488 2HD1 LEU 14 2HD1 LEU 14 105.082 69.363 39.709 489 3HD1 LEU 14 3HD1 LEU 14 104.057 68.407 38.637 490 1HD2 LEU 14 1HD2 LEU 14 106.641 66.852 40.706 491 2HD2 LEU 14 2HD2 LEU 14 105.710 65.779 39.660 492 3HD2 LEU 14 3HD2 LEU 14 106.214 67.363 39.072 493 H LEU 15 H LEU 15 104.399 68.299 44.920 494 HA LEU 15 HA LEU 15 104.703 65.683 46.038 495 1HB LEU 15 1HB LEU 15 104.376 68.417 47.320 496 2HB LEU 15 2HB LEU 15 105.012 66.988 48.138 497 HG LEU 15 HG LEU 15 106.217 68.106 45.596 498 1HD1 LEU 15 1HD1 LEU 15 106.211 69.474 47.941 499 2HD1 LEU 15 2HD1 LEU 15 107.619 68.441 48.188 500 3HD1 LEU 15 3HD1 LEU 15 107.551 69.523 46.797 501 1HD2 LEU 15 1HD2 LEU 15 106.661 65.715 46.160 502 2HD2 LEU 15 2HD2 LEU 15 108.121 66.703 46.229 503 3HD2 LEU 15 3HD2 LEU 15 107.305 66.230 47.720 504 H GLN 16 H GLN 16 102.110 68.124 46.412 505 HA GLN 16 HA GLN 16 100.499 66.791 48.312 506 1HB GLN 16 1HB GLN 16 100.393 69.039 46.672 507 2HB GLN 16 2HB GLN 16 99.025 68.070 46.124 508 1HG GLN 16 1HG GLN 16 98.597 67.794 48.724 509 2HG GLN 16 2HG GLN 16 99.527 69.290 48.814 510 1HE2 GLN 16 2HE2 GLN 16 96.395 68.259 48.660 511 2HE2 GLN 16 1HE2 GLN 16 95.695 69.568 47.838 512 H GLY 17 H GLY 17 100.727 66.333 44.789 513 1HA GLY 17 1HA GLY 17 98.531 64.580 44.431 514 2HA GLY 17 2HA GLY 17 99.995 64.552 43.443 515 H TYR 18 H TYR 18 101.963 63.724 45.022 516 HA TYR 18 HA TYR 18 101.773 60.957 45.288 517 1HB TYR 18 1HB TYR 18 103.669 62.833 45.613 518 2HB TYR 18 2HB TYR 18 103.340 62.495 47.312 519 HD1 TYR 18 HD1 TYR 18 103.380 60.342 44.238 520 HD2 TYR 18 HD2 TYR 18 104.983 61.069 48.177 521 HE1 TYR 18 HE1 TYR 18 104.723 58.242 44.078 522 HE2 TYR 18 HE2 TYR 18 106.326 58.975 48.023 523 HH TYR 18 HH TYR 18 106.962 57.279 46.698 524 H THR 19 H THR 19 100.961 63.440 47.700 525 HA THR 19 HA THR 19 100.467 61.708 49.918 526 HB THR 19 HB THR 19 98.879 64.207 49.439 527 HG1 THR 19 HG1 THR 19 100.898 65.324 50.022 528 1HG2 THR 19 1HG2 THR 19 100.514 63.094 51.732 529 2HG2 THR 19 2HG2 THR 19 99.685 64.650 51.769 530 3HG2 THR 19 3HG2 THR 19 98.755 63.159 51.621 531 H VAL 20 H VAL 20 98.396 62.789 47.241 532 HA VAL 20 HA VAL 20 95.986 61.542 48.340 533 HB VAL 20 HB VAL 20 96.705 62.700 45.629 534 1HG1 VAL 20 1HG1 VAL 20 94.767 61.143 45.555 535 2HG1 VAL 20 2HG1 VAL 20 93.989 62.079 46.831 536 3HG1 VAL 20 3HG1 VAL 20 94.285 62.813 45.254 537 1HG2 VAL 20 1HG2 VAL 20 96.020 63.847 48.227 538 2HG2 VAL 20 2HG2 VAL 20 96.634 64.647 46.780 539 3HG2 VAL 20 3HG2 VAL 20 94.903 64.362 46.963 540 H GLU 21 H GLU 21 98.588 60.584 46.185 541 HA GLU 21 HA GLU 21 97.115 58.297 45.057 542 1HB GLU 21 1HB GLU 21 100.110 58.541 45.010 543 2HB GLU 21 2HB GLU 21 99.024 57.997 43.737 544 1HG GLU 21 1HG GLU 21 98.264 60.631 44.092 545 2HG GLU 21 2HG GLU 21 100.011 60.690 44.335 546 H VAL 22 H VAL 22 100.011 58.640 47.098 547 HA VAL 22 HA VAL 22 100.303 55.943 47.865 548 HB VAL 22 HB VAL 22 100.833 58.433 49.521 549 1HG1 VAL 22 1HG1 VAL 22 101.151 55.837 50.232 550 2HG1 VAL 22 2HG1 VAL 22 102.696 56.136 49.437 551 3HG1 VAL 22 3HG1 VAL 22 102.201 57.135 50.802 552 1HG2 VAL 22 1HG2 VAL 22 101.769 57.828 46.924 553 2HG2 VAL 22 2HG2 VAL 22 102.405 59.052 48.022 554 3HG2 VAL 22 3HG2 VAL 22 103.097 57.430 48.013 555 H LEU 23 H LEU 23 98.164 58.456 49.148 556 HA LEU 23 HA LEU 23 97.338 56.951 51.494 557 1HB LEU 23 1HB LEU 23 97.276 59.458 51.118 558 2HB LEU 23 2HB LEU 23 95.918 59.191 50.024 559 HG LEU 23 HG LEU 23 94.755 57.983 51.923 560 1HD1 LEU 23 1HD1 LEU 23 97.239 58.955 53.305 561 2HD1 LEU 23 2HD1 LEU 23 95.731 58.837 54.212 562 3HD1 LEU 23 3HD1 LEU 23 96.419 57.401 53.454 563 1HD2 LEU 23 1HD2 LEU 23 94.367 60.401 51.265 564 2HD2 LEU 23 2HD2 LEU 23 93.983 60.026 52.945 565 3HD2 LEU 23 3HD2 LEU 23 95.487 60.857 52.549 566 H ARG 24 H ARG 24 96.134 57.301 48.175 567 HA ARG 24 HA ARG 24 93.756 55.633 48.770 568 1HB ARG 24 1HB ARG 24 94.668 57.565 46.775 569 2HB ARG 24 2HB ARG 24 93.912 56.155 46.033 570 1HG ARG 24 1HG ARG 24 92.199 57.827 46.504 571 2HG ARG 24 2HG ARG 24 91.964 56.439 47.566 572 1HD ARG 24 1HD ARG 24 92.903 57.586 49.444 573 2HD ARG 24 2HD ARG 24 93.550 58.880 48.416 574 HE ARG 24 HE ARG 24 91.396 59.848 48.387 575 1HH1 ARG 24 1HH1 ARG 24 91.273 57.375 50.569 576 2HH1 ARG 24 2HH1 ARG 24 89.591 57.010 50.369 577 1HH2 ARG 24 1HH2 ARG 24 89.216 59.024 47.571 578 2HH2 ARG 24 2HH2 ARG 24 88.426 57.944 48.672 579 H GLN 25 H GLN 25 96.294 55.558 46.231 580 HA GLN 25 HA GLN 25 95.908 52.922 45.348 581 1HB GLN 25 1HB GLN 25 97.664 55.034 44.934 582 2HB GLN 25 2HB GLN 25 98.715 53.747 45.528 583 1HG GLN 25 1HG GLN 25 96.671 53.102 43.430 584 2HG GLN 25 2HG GLN 25 98.162 53.913 42.953 585 1HE2 GLN 25 2HE2 GLN 25 98.043 51.468 41.874 586 2HE2 GLN 25 1HE2 GLN 25 98.967 50.328 42.728 587 H GLN 26 H GLN 26 97.968 54.071 48.022 588 HA GLN 26 HA GLN 26 99.007 52.877 49.779 589 1HB GLN 26 1HB GLN 26 96.303 51.875 49.264 590 2HB GLN 26 2HB GLN 26 97.321 50.683 50.074 591 1HG GLN 26 1HG GLN 26 97.916 53.070 51.386 592 2HG GLN 26 2HG GLN 26 96.174 53.153 51.125 593 1HE2 GLN 26 2HE2 GLN 26 95.600 50.328 51.264 594 2HE2 GLN 26 1HE2 GLN 26 95.884 49.815 52.858 595 HA PRO 27 HA PRO 27 100.588 49.728 46.663 596 1HB PRO 27 1HB PRO 27 103.082 50.807 46.326 597 2HB PRO 27 2HB PRO 27 101.690 51.255 45.320 598 1HG PRO 27 1HG PRO 27 102.889 52.690 47.638 599 2HG PRO 27 2HG PRO 27 102.246 53.337 46.119 600 1HD PRO 27 1HD PRO 27 100.865 53.394 48.460 601 2HD PRO 27 2HD PRO 27 100.080 53.306 46.869 602 HA PRO 28 HA PRO 28 102.751 47.629 49.869 603 1HB PRO 28 1HB PRO 28 104.453 46.012 48.459 604 2HB PRO 28 2HB PRO 28 102.704 45.721 48.563 605 1HG PRO 28 1HG PRO 28 104.287 46.973 46.373 606 2HG PRO 28 2HG PRO 28 102.916 45.857 46.278 607 1HD PRO 28 1HD PRO 28 102.680 48.535 45.879 608 2HD PRO 28 2HD PRO 28 101.367 47.528 46.528 609 H ASP 29 H ASP 29 104.750 49.083 47.322 610 HA ASP 29 HA ASP 29 106.814 49.708 49.409 611 1HB ASP 29 1HB ASP 29 107.040 48.687 46.576 612 2HB ASP 29 2HB ASP 29 108.394 49.498 47.363 613 H LEU 30 H LEU 30 107.045 51.895 49.624 614 HA LEU 30 HA LEU 30 105.811 53.750 47.735 615 1HB LEU 30 1HB LEU 30 105.906 54.044 50.208 616 2HB LEU 30 2HB LEU 30 107.662 54.182 50.105 617 HG LEU 30 HG LEU 30 106.947 56.030 48.261 618 1HD1 LEU 30 1HD1 LEU 30 104.499 55.407 49.196 619 2HD1 LEU 30 2HD1 LEU 30 104.943 56.637 50.379 620 3HD1 LEU 30 3HD1 LEU 30 104.918 57.034 48.661 621 1HD2 LEU 30 1HD2 LEU 30 107.483 56.130 51.203 622 2HD2 LEU 30 2HD2 LEU 30 108.439 56.774 49.868 623 3HD2 LEU 30 3HD2 LEU 30 106.990 57.623 50.404 624 H VAL 31 H VAL 31 109.150 52.845 48.613 625 HA VAL 31 HA VAL 31 110.632 54.716 47.141 626 HB VAL 31 HB VAL 31 111.091 51.724 47.405 627 1HG1 VAL 31 1HG1 VAL 31 112.555 53.529 45.955 628 2HG1 VAL 31 2HG1 VAL 31 113.346 53.630 47.528 629 3HG1 VAL 31 3HG1 VAL 31 113.227 52.078 46.698 630 1HG2 VAL 31 1HG2 VAL 31 111.335 54.036 49.297 631 2HG2 VAL 31 2HG2 VAL 31 110.828 52.377 49.618 632 3HG2 VAL 31 3HG2 VAL 31 112.537 52.749 49.394 633 H ASP 32 H ASP 32 109.866 51.445 45.926 634 HA ASP 32 HA ASP 32 110.492 51.914 43.212 635 1HB ASP 32 1HB ASP 32 109.763 49.826 44.748 636 2HB ASP 32 2HB ASP 32 108.225 50.118 43.933 637 H PHE 33 H PHE 33 107.428 52.396 44.972 638 HA PHE 33 HA PHE 33 105.784 53.022 42.721 639 1HB PHE 33 1HB PHE 33 104.952 52.518 44.978 640 2HB PHE 33 2HB PHE 33 105.718 53.981 45.601 641 HD1 PHE 33 HD1 PHE 33 103.413 52.963 42.797 642 HD2 PHE 33 HD2 PHE 33 104.373 55.886 45.828 643 HE1 PHE 33 HE1 PHE 33 101.404 54.291 42.153 644 HE2 PHE 33 HE2 PHE 33 102.364 57.213 45.182 645 HZ PHE 33 HZ PHE 33 100.880 56.416 43.346 646 H ALA 34 H ALA 34 107.680 55.134 44.892 647 HA ALA 34 HA ALA 34 107.025 57.645 43.796 648 1HB ALA 34 1HB ALA 34 108.634 56.676 45.751 649 2HB ALA 34 2HB ALA 34 109.851 57.114 44.553 650 3HB ALA 34 3HB ALA 34 108.738 58.337 45.165 651 H VAL 35 H VAL 35 109.295 55.186 42.623 652 HA VAL 35 HA VAL 35 110.509 56.871 40.598 653 HB VAL 35 HB VAL 35 110.326 53.878 41.063 654 1HG1 VAL 35 1HG1 VAL 35 112.078 55.490 39.192 655 2HG1 VAL 35 2HG1 VAL 35 112.321 53.784 39.565 656 3HG1 VAL 35 3HG1 VAL 35 110.858 54.304 38.729 657 1HG2 VAL 35 1HG2 VAL 35 111.441 55.290 42.826 658 2HG2 VAL 35 2HG2 VAL 35 112.524 54.131 42.057 659 3HG2 VAL 35 3HG2 VAL 35 112.583 55.832 41.598 660 H GLU 36 H GLU 36 108.094 54.219 40.483 661 HA GLU 36 HA GLU 36 107.567 54.359 37.683 662 1HB GLU 36 1HB GLU 36 105.837 53.558 40.046 663 2HB GLU 36 2HB GLU 36 105.482 53.158 38.364 664 1HG GLU 36 1HG GLU 36 108.214 52.473 39.280 665 2HG GLU 36 2HG GLU 36 106.911 51.540 40.020 666 H TYR 37 H TYR 37 106.044 56.043 40.438 667 HA TYR 37 HA TYR 37 103.944 57.326 38.995 668 1HB TYR 37 1HB TYR 37 104.074 57.173 41.435 669 2HB TYR 37 2HB TYR 37 105.540 58.153 41.442 670 HD1 TYR 37 HD1 TYR 37 102.198 58.425 39.716 671 HD2 TYR 37 HD2 TYR 37 105.146 60.314 42.242 672 HE1 TYR 37 HE1 TYR 37 100.816 60.499 39.777 673 HE2 TYR 37 HE2 TYR 37 103.764 62.388 42.304 674 HH TYR 37 HH TYR 37 100.944 62.738 41.904 675 H PHE 38 H PHE 38 107.043 58.782 40.074 676 HA PHE 38 HA PHE 38 106.788 61.153 38.494 677 1HB PHE 38 1HB PHE 38 108.969 59.659 39.915 678 2HB PHE 38 2HB PHE 38 109.400 61.035 38.898 679 HD1 PHE 38 HD1 PHE 38 107.421 63.025 39.209 680 HD2 PHE 38 HD2 PHE 38 108.848 60.235 42.180 681 HE1 PHE 38 HE1 PHE 38 106.712 64.588 41.017 682 HE2 PHE 38 HE2 PHE 38 108.139 61.799 43.988 683 HZ PHE 38 HZ PHE 38 107.071 63.975 43.406 684 H THR 39 H THR 39 108.630 58.134 37.883 685 HA THR 39 HA THR 39 109.796 58.812 35.412 686 HB THR 39 HB THR 39 108.640 56.201 36.445 687 HG1 THR 39 HG1 THR 39 110.916 55.882 36.890 688 1HG2 THR 39 1HG2 THR 39 109.613 56.816 33.851 689 2HG2 THR 39 2HG2 THR 39 110.871 55.881 34.661 690 3HG2 THR 39 3HG2 THR 39 109.241 55.224 34.513 691 H ARG 40 H ARG 40 106.467 57.922 36.154 692 HA ARG 40 HA ARG 40 105.682 57.571 33.357 693 1HB ARG 40 1HB ARG 40 104.433 57.572 36.075 694 2HB ARG 40 2HB ARG 40 103.370 57.805 34.687 695 1HG ARG 40 1HG ARG 40 104.550 55.749 33.669 696 2HG ARG 40 2HG ARG 40 105.156 55.451 35.299 697 1HD ARG 40 1HD ARG 40 102.363 56.014 35.521 698 2HD ARG 40 2HD ARG 40 102.576 54.794 34.250 699 HE ARG 40 HE ARG 40 103.866 54.508 36.938 700 1HH1 ARG 40 1HH1 ARG 40 104.410 52.627 34.584 701 2HH1 ARG 40 2HH1 ARG 40 103.371 51.299 34.979 702 1HH2 ARG 40 1HH2 ARG 40 101.527 53.091 37.306 703 2HH2 ARG 40 2HH2 ARG 40 101.740 51.561 36.521 704 H LEU 41 H LEU 41 105.563 60.148 35.785 705 HA LEU 41 HA LEU 41 103.831 61.967 34.446 706 1HB LEU 41 1HB LEU 41 105.858 61.949 36.583 707 2HB LEU 41 2HB LEU 41 105.687 63.513 35.785 708 HG LEU 41 HG LEU 41 103.141 62.147 36.419 709 1HD1 LEU 41 1HD1 LEU 41 104.831 61.775 38.392 710 2HD1 LEU 41 2HD1 LEU 41 104.577 63.495 38.691 711 3HD1 LEU 41 3HD1 LEU 41 103.212 62.380 38.746 712 1HD2 LEU 41 1HD2 LEU 41 104.286 64.939 36.691 713 2HD2 LEU 41 2HD2 LEU 41 103.094 64.376 35.520 714 3HD2 LEU 41 3HD2 LEU 41 102.660 64.513 37.224 715 H ARG 42 H ARG 42 107.143 61.053 33.810 716 HA ARG 42 HA ARG 42 107.860 63.395 32.256 717 1HB ARG 42 1HB ARG 42 109.536 62.050 33.348 718 2HB ARG 42 2HB ARG 42 108.927 60.577 32.594 719 1HG ARG 42 1HG ARG 42 110.187 60.914 30.771 720 2HG ARG 42 2HG ARG 42 109.565 62.552 30.585 721 1HD ARG 42 1HD ARG 42 111.212 63.411 32.175 722 2HD ARG 42 2HD ARG 42 111.792 61.765 32.500 723 HE ARG 42 HE ARG 42 111.988 61.951 29.759 724 1HH1 ARG 42 1HH1 ARG 42 112.378 64.794 31.402 725 2HH1 ARG 42 2HH1 ARG 42 114.054 65.014 31.029 726 1HH2 ARG 42 1HH2 ARG 42 114.448 61.836 29.697 727 2HH2 ARG 42 2HH2 ARG 42 115.227 63.339 30.064 728 H GLU 43 H GLU 43 106.239 60.346 31.624 729 HA GLU 43 HA GLU 43 106.313 60.873 28.682 730 1HB GLU 43 1HB GLU 43 105.974 58.493 30.475 731 2HB GLU 43 2HB GLU 43 105.289 58.431 28.851 732 1HG GLU 43 1HG GLU 43 107.848 59.514 28.497 733 2HG GLU 43 2HG GLU 43 108.069 58.221 29.676 734 H ALA 44 H ALA 44 104.398 61.773 31.168 735 HA ALA 44 HA ALA 44 101.787 61.009 29.988 736 1HB ALA 44 1HB ALA 44 102.840 61.640 32.546 737 2HB ALA 44 2HB ALA 44 101.686 62.917 32.150 738 3HB ALA 44 3HB ALA 44 101.171 61.227 32.152 739 H ARG 45 H ARG 45 103.146 64.086 31.185 740 HA ARG 45 HA ARG 45 101.446 65.873 29.924 741 1HB ARG 45 1HB ARG 45 103.610 66.043 31.486 742 2HB ARG 45 2HB ARG 45 104.376 66.465 29.955 743 1HG ARG 45 1HG ARG 45 101.790 67.802 30.611 744 2HG ARG 45 2HG ARG 45 103.223 68.319 31.500 745 1HD ARG 45 1HD ARG 45 104.317 68.367 29.078 746 2HD ARG 45 2HD ARG 45 102.627 68.565 28.572 747 HE ARG 45 HE ARG 45 102.769 70.353 30.613 748 1HH1 ARG 45 1HH1 ARG 45 105.695 70.561 30.445 749 2HH1 ARG 45 2HH1 ARG 45 105.936 71.787 29.245 750 1HH2 ARG 45 1HH2 ARG 45 102.713 71.565 27.987 751 2HH2 ARG 45 2HH2 ARG 45 104.248 72.355 27.854 752 H ARG 46 H ARG 46 100.848 65.633 27.769 753 HA ARG 46 HA ARG 46 103.062 65.512 25.745 754 1HB ARG 46 1HB ARG 46 100.623 63.927 26.206 755 2HB ARG 46 2HB ARG 46 100.814 64.464 24.536 756 1HG ARG 46 1HG ARG 46 102.978 63.440 24.363 757 2HG ARG 46 2HG ARG 46 103.035 63.127 26.099 758 1HD ARG 46 1HD ARG 46 100.932 61.686 25.758 759 2HD ARG 46 2HD ARG 46 101.291 61.782 24.022 760 HE ARG 46 HE ARG 46 103.652 61.090 25.555 761 1HH1 ARG 46 1HH1 ARG 46 100.988 59.343 25.997 762 2HH1 ARG 46 2HH1 ARG 46 101.435 57.967 25.046 763 1HH2 ARG 46 1HH2 ARG 46 104.130 59.548 23.542 764 2HH2 ARG 46 2HH2 ARG 46 103.215 58.082 23.657 Start of MODEL 2 1 1H HIS 1 1H HIS 1 89.710 68.794 56.186 2 2H HIS 1 2H HIS 1 90.619 68.767 54.754 3 3H HIS 1 3H HIS 1 88.978 68.328 54.724 4 HA HIS 1 HA HIS 1 89.371 66.321 55.886 5 1HB HIS 1 1HB HIS 1 91.417 67.028 53.767 6 2HB HIS 1 2HB HIS 1 91.181 65.379 54.345 7 HD1 HIS 1 HD1 HIS 1 89.644 68.008 52.207 8 HD2 HIS 1 HD2 HIS 1 88.598 64.255 53.690 9 HE1 HIS 1 HE1 HIS 1 87.605 67.265 50.902 10 H MET 2 H MET 2 90.129 66.133 57.988 11 HA MET 2 HA MET 2 92.970 66.887 58.546 12 1HB MET 2 1HB MET 2 90.565 67.431 59.811 13 2HB MET 2 2HB MET 2 91.224 66.110 60.776 14 1HG MET 2 1HG MET 2 93.218 67.311 61.256 15 2HG MET 2 2HG MET 2 92.897 68.499 59.993 16 1HE MET 2 1HE MET 2 91.964 66.849 63.111 17 2HE MET 2 2HE MET 2 92.807 68.200 63.866 18 3HE MET 2 3HE MET 2 91.074 68.005 64.111 19 H GLY 3 H GLY 3 90.605 64.247 58.997 20 1HA GLY 3 1HA GLY 3 90.958 61.935 59.218 21 2HA GLY 3 2HA GLY 3 92.601 62.205 58.634 22 H HIS 4 H HIS 4 91.920 60.415 60.776 23 HA HIS 4 HA HIS 4 93.407 61.747 63.008 24 1HB HIS 4 1HB HIS 4 90.796 60.272 62.960 25 2HB HIS 4 2HB HIS 4 91.802 60.169 64.405 26 HD1 HIS 4 HD1 HIS 4 92.888 62.921 64.754 27 HD2 HIS 4 HD2 HIS 4 88.971 62.276 63.477 28 HE1 HIS 4 HE1 HIS 4 91.603 65.039 65.282 29 H ILE 5 H ILE 5 92.222 58.594 61.808 30 HA ILE 5 HA ILE 5 94.821 57.388 62.701 31 HB ILE 5 HB ILE 5 92.793 56.711 63.969 32 1HG1 ILE 5 1HG1 ILE 5 93.002 54.153 62.933 33 2HG1 ILE 5 2HG1 ILE 5 94.517 54.901 62.426 34 1HG2 ILE 5 1HG2 ILE 5 91.851 55.756 61.248 35 2HG2 ILE 5 2HG2 ILE 5 91.065 55.366 62.776 36 3HG2 ILE 5 3HG2 ILE 5 91.123 57.037 62.217 37 1HD1 ILE 5 1HD1 ILE 5 94.197 55.769 65.053 38 2HD1 ILE 5 2HD1 ILE 5 93.657 54.091 65.096 39 3HD1 ILE 5 3HD1 ILE 5 95.274 54.482 64.511 40 H GLN 6 H GLN 6 94.639 58.572 60.146 41 HA GLN 6 HA GLN 6 94.806 56.150 58.405 42 1HB GLN 6 1HB GLN 6 92.639 57.807 58.431 43 2HB GLN 6 2HB GLN 6 93.641 58.602 57.216 44 1HG GLN 6 1HG GLN 6 93.685 56.692 55.829 45 2HG GLN 6 2HG GLN 6 93.163 55.626 57.133 46 1HE2 GLN 6 2HE2 GLN 6 90.864 56.187 58.026 47 2HE2 GLN 6 1HE2 GLN 6 89.701 56.659 56.882 48 H ILE 7 H ILE 7 96.931 57.735 59.605 49 HA ILE 7 HA ILE 7 98.035 59.144 57.199 50 HB ILE 7 HB ILE 7 98.518 59.452 60.178 51 1HG1 ILE 7 1HG1 ILE 7 96.404 60.413 59.316 52 2HG1 ILE 7 2HG1 ILE 7 97.528 61.683 59.806 53 1HG2 ILE 7 1HG2 ILE 7 99.990 60.468 57.783 54 2HG2 ILE 7 2HG2 ILE 7 99.767 61.575 59.138 55 3HG2 ILE 7 3HG2 ILE 7 100.605 60.041 59.379 56 1HD1 ILE 7 1HD1 ILE 7 98.180 61.179 57.135 57 2HD1 ILE 7 2HD1 ILE 7 96.417 61.126 57.172 58 3HD1 ILE 7 3HD1 ILE 7 97.270 62.561 57.745 59 HA PRO 8 HA PRO 8 100.831 55.625 57.335 60 1HB PRO 8 1HB PRO 8 102.249 56.271 55.092 61 2HB PRO 8 2HB PRO 8 100.650 55.501 55.038 62 1HG PRO 8 1HG PRO 8 101.393 58.351 54.645 63 2HG PRO 8 2HG PRO 8 100.188 57.372 53.798 64 1HD PRO 8 1HD PRO 8 99.564 59.173 55.746 65 2HD PRO 8 2HD PRO 8 98.585 57.734 55.390 66 HA PRO 9 HA PRO 9 103.986 58.176 59.337 67 1HB PRO 9 1HB PRO 9 105.114 56.146 60.784 68 2HB PRO 9 2HB PRO 9 103.626 56.975 61.283 69 1HG PRO 9 1HG PRO 9 103.969 54.337 59.955 70 2HG PRO 9 2HG PRO 9 102.817 54.831 61.205 71 1HD PRO 9 1HD PRO 9 102.175 54.589 58.559 72 2HD PRO 9 2HD PRO 9 101.332 55.673 59.687 73 H GLY 10 H GLY 10 106.272 58.363 58.980 74 1HA GLY 10 1HA GLY 10 108.410 57.533 58.190 75 2HA GLY 10 2HA GLY 10 107.558 56.246 57.335 76 H LEU 11 H LEU 11 105.539 58.227 56.315 77 HA LEU 11 HA LEU 11 106.828 58.853 53.815 78 1HB LEU 11 1HB LEU 11 104.416 58.394 54.124 79 2HB LEU 11 2HB LEU 11 104.261 59.864 55.088 80 HG LEU 11 HG LEU 11 105.167 61.132 53.072 81 1HD1 LEU 11 1HD1 LEU 11 106.069 58.992 52.017 82 2HD1 LEU 11 2HD1 LEU 11 104.402 58.609 51.589 83 3HD1 LEU 11 3HD1 LEU 11 105.170 60.055 50.935 84 1HD2 LEU 11 1HD2 LEU 11 102.523 59.783 53.318 85 2HD2 LEU 11 2HD2 LEU 11 102.905 61.504 53.250 86 3HD2 LEU 11 3HD2 LEU 11 102.877 60.548 51.768 87 H THR 12 H THR 12 106.208 60.700 56.769 88 HA THR 12 HA THR 12 106.836 63.303 55.686 89 HB THR 12 HB THR 12 106.996 62.186 58.506 90 HG1 THR 12 HG1 THR 12 104.912 62.278 58.465 91 1HG2 THR 12 1HG2 THR 12 107.007 64.972 57.362 92 2HG2 THR 12 2HG2 THR 12 106.413 64.668 58.994 93 3HG2 THR 12 3HG2 THR 12 108.079 64.274 58.575 94 H GLU 13 H GLU 13 108.768 60.687 57.056 95 HA GLU 13 HA GLU 13 111.194 62.223 57.432 96 1HB GLU 13 1HB GLU 13 110.344 59.894 58.335 97 2HB GLU 13 2HB GLU 13 111.105 59.270 56.870 98 1HG GLU 13 1HG GLU 13 113.243 59.951 57.530 99 2HG GLU 13 2HG GLU 13 112.618 61.164 58.649 100 H LEU 14 H LEU 14 110.263 59.823 54.926 101 HA LEU 14 HA LEU 14 112.511 60.123 53.240 102 1HB LEU 14 1HB LEU 14 110.614 58.435 53.170 103 2HB LEU 14 2HB LEU 14 109.634 59.679 52.391 104 HG LEU 14 HG LEU 14 112.207 59.500 51.092 105 1HD1 LEU 14 1HD1 LEU 14 112.026 57.140 52.018 106 2HD1 LEU 14 2HD1 LEU 14 110.580 56.948 51.027 107 3HD1 LEU 14 3HD1 LEU 14 112.139 57.249 50.261 108 1HD2 LEU 14 1HD2 LEU 14 109.304 59.386 50.435 109 2HD2 LEU 14 2HD2 LEU 14 110.578 60.378 49.726 110 3HD2 LEU 14 3HD2 LEU 14 110.408 58.688 49.250 111 H LEU 15 H LEU 15 109.339 61.779 52.954 112 HA LEU 15 HA LEU 15 109.938 63.472 50.788 113 1HB LEU 15 1HB LEU 15 108.028 63.260 52.986 114 2HB LEU 15 2HB LEU 15 108.330 64.942 52.546 115 HG LEU 15 HG LEU 15 106.469 63.967 51.227 116 1HD1 LEU 15 1HD1 LEU 15 108.984 64.994 50.041 117 2HD1 LEU 15 2HD1 LEU 15 107.852 64.256 48.908 118 3HD1 LEU 15 3HD1 LEU 15 107.340 65.616 49.908 119 1HD2 LEU 15 1HD2 LEU 15 107.704 61.639 51.278 120 2HD2 LEU 15 2HD2 LEU 15 106.713 62.069 49.885 121 3HD2 LEU 15 3HD2 LEU 15 108.467 62.230 49.803 122 H GLN 16 H GLN 16 110.644 63.928 54.254 123 HA GLN 16 HA GLN 16 111.543 66.602 54.231 124 1HB GLN 16 1HB GLN 16 111.472 64.412 55.962 125 2HB GLN 16 2HB GLN 16 113.189 64.792 55.834 126 1HG GLN 16 1HG GLN 16 112.235 67.290 56.106 127 2HG GLN 16 2HG GLN 16 110.969 66.419 56.971 128 1HE2 GLN 16 2HE2 GLN 16 112.546 64.311 58.096 129 2HE2 GLN 16 1HE2 GLN 16 113.627 64.989 59.215 130 H GLY 17 H GLY 17 113.365 63.615 53.483 131 1HA GLY 17 1HA GLY 17 115.907 64.784 53.068 132 2HA GLY 17 2HA GLY 17 115.345 63.325 52.250 133 H TYR 18 H TYR 18 113.402 64.069 50.605 134 HA TYR 18 HA TYR 18 114.569 65.234 48.352 135 1HB TYR 18 1HB TYR 18 112.202 64.102 49.015 136 2HB TYR 18 2HB TYR 18 111.692 65.784 48.887 137 HD1 TYR 18 HD1 TYR 18 114.256 63.780 47.010 138 HD2 TYR 18 HD2 TYR 18 110.618 66.093 46.827 139 HE1 TYR 18 HE1 TYR 18 114.261 63.592 44.520 140 HE2 TYR 18 HE2 TYR 18 110.617 65.907 44.342 141 HH TYR 18 HH TYR 18 112.399 65.521 42.524 142 H THR 19 H THR 19 112.571 66.874 50.823 143 HA THR 19 HA THR 19 112.535 69.475 49.765 144 HB THR 19 HB THR 19 112.759 68.489 52.628 145 HG1 THR 19 HG1 THR 19 110.578 69.050 50.910 146 1HG2 THR 19 1HG2 THR 19 112.937 71.111 51.729 147 2HG2 THR 19 2HG2 THR 19 111.231 70.929 52.141 148 3HG2 THR 19 3HG2 THR 19 112.470 70.605 53.353 149 H VAL 20 H VAL 20 115.099 67.848 51.616 150 HA VAL 20 HA VAL 20 116.755 70.244 51.842 151 HB VAL 20 HB VAL 20 117.347 67.287 52.198 152 1HG1 VAL 20 1HG1 VAL 20 119.088 69.500 52.152 153 2HG1 VAL 20 2HG1 VAL 20 118.846 69.129 53.860 154 3HG1 VAL 20 3HG1 VAL 20 119.445 67.885 52.764 155 1HG2 VAL 20 1HG2 VAL 20 115.497 68.656 53.584 156 2HG2 VAL 20 2HG2 VAL 20 116.532 67.453 54.350 157 3HG2 VAL 20 3HG2 VAL 20 116.927 69.166 54.479 158 H GLU 21 H GLU 21 116.369 67.655 49.510 159 HA GLU 21 HA GLU 21 118.928 68.273 48.150 160 1HB GLU 21 1HB GLU 21 116.800 66.556 46.926 161 2HB GLU 21 2HB GLU 21 118.541 66.304 46.974 162 1HG GLU 21 1HG GLU 21 117.935 66.103 49.621 163 2HG GLU 21 2HG GLU 21 116.452 65.478 48.895 164 H VAL 22 H VAL 22 115.512 68.122 47.156 165 HA VAL 22 HA VAL 22 115.711 69.496 44.713 166 HB VAL 22 HB VAL 22 113.459 69.609 46.748 167 1HG1 VAL 22 1HG1 VAL 22 113.255 71.089 44.752 168 2HG1 VAL 22 2HG1 VAL 22 113.429 69.669 43.721 169 3HG1 VAL 22 3HG1 VAL 22 112.032 69.819 44.786 170 1HG2 VAL 22 1HG2 VAL 22 114.460 67.436 44.936 171 2HG2 VAL 22 2HG2 VAL 22 113.798 67.312 46.566 172 3HG2 VAL 22 3HG2 VAL 22 112.722 67.586 45.196 173 H LEU 23 H LEU 23 115.741 70.758 47.992 174 HA LEU 23 HA LEU 23 115.302 73.542 47.143 175 1HB LEU 23 1HB LEU 23 114.490 72.614 49.293 176 2HB LEU 23 2HB LEU 23 116.156 72.293 49.776 177 HG LEU 23 HG LEU 23 116.329 74.924 49.084 178 1HD1 LEU 23 1HD1 LEU 23 113.552 74.424 50.190 179 2HD1 LEU 23 2HD1 LEU 23 114.333 76.006 50.194 180 3HD1 LEU 23 3HD1 LEU 23 113.967 75.206 48.665 181 1HD2 LEU 23 1HD2 LEU 23 117.032 73.700 51.209 182 2HD2 LEU 23 2HD2 LEU 23 116.462 75.352 51.443 183 3HD2 LEU 23 3HD2 LEU 23 115.401 73.993 51.814 184 H ARG 24 H ARG 24 118.022 71.474 48.119 185 HA ARG 24 HA ARG 24 119.932 73.724 47.956 186 1HB ARG 24 1HB ARG 24 119.796 71.592 49.542 187 2HB ARG 24 2HB ARG 24 120.699 70.840 48.227 188 1HG ARG 24 1HG ARG 24 121.671 73.513 49.029 189 2HG ARG 24 2HG ARG 24 121.860 72.257 50.252 190 1HD ARG 24 1HD ARG 24 123.016 70.815 48.602 191 2HD ARG 24 2HD ARG 24 122.844 72.091 47.380 192 HE ARG 24 HE ARG 24 124.314 73.509 48.721 193 1HH1 ARG 24 1HH2 ARG 24 125.052 70.312 48.765 194 2HH1 ARG 24 2HH2 ARG 24 125.916 70.312 50.267 195 1HH2 ARG 24 1HH1 ARG 24 124.918 73.516 51.143 196 2HH2 ARG 24 2HH1 ARG 24 125.839 72.126 51.614 197 H GLN 25 H GLN 25 119.628 70.511 46.374 198 HA GLN 25 HA GLN 25 121.585 70.914 44.369 199 1HB GLN 25 1HB GLN 25 119.406 69.105 45.027 200 2HB GLN 25 2HB GLN 25 119.547 69.317 43.281 201 1HG GLN 25 1HG GLN 25 121.199 67.772 43.404 202 2HG GLN 25 2HG GLN 25 122.182 69.080 44.064 203 1HE2 GLN 25 2HE2 GLN 25 122.766 68.967 46.285 204 2HE2 GLN 25 1HE2 GLN 25 122.290 67.703 47.313 205 H GLN 26 H GLN 26 118.098 71.661 44.324 206 HA GLN 26 HA GLN 26 116.835 72.982 42.820 207 1HB GLN 26 1HB GLN 26 119.408 74.213 43.421 208 2HB GLN 26 2HB GLN 26 118.799 74.734 41.850 209 1HG GLN 26 1HG GLN 26 116.596 75.246 42.945 210 2HG GLN 26 2HG GLN 26 117.343 74.890 44.503 211 1HE2 GLN 26 2HE2 GLN 26 118.185 76.701 45.536 212 2HE2 GLN 26 1HE2 GLN 26 118.722 78.111 44.755 213 HA PRO 27 HA PRO 27 118.908 70.732 39.229 214 1HB PRO 27 1HB PRO 27 117.016 68.783 38.888 215 2HB PRO 27 2HB PRO 27 118.426 68.589 39.949 216 1HG PRO 27 1HG PRO 27 115.612 69.267 40.647 217 2HG PRO 27 2HG PRO 27 116.761 68.212 41.486 218 1HD PRO 27 1HD PRO 27 116.202 70.746 42.298 219 2HD PRO 27 2HD PRO 27 117.769 69.956 42.578 220 HA PRO 28 HA PRO 28 116.204 72.851 36.469 221 1HB PRO 28 1HB PRO 28 116.717 71.552 34.115 222 2HB PRO 28 2HB PRO 28 117.858 72.690 34.861 223 1HG PRO 28 1HG PRO 28 117.854 69.713 34.903 224 2HG PRO 28 2HG PRO 28 119.213 70.838 34.753 225 1HD PRO 28 1HD PRO 28 118.574 69.572 37.076 226 2HD PRO 28 2HD PRO 28 119.365 71.163 37.016 227 H ASP 29 H ASP 29 116.048 69.342 36.663 228 HA ASP 29 HA ASP 29 113.134 69.489 35.968 229 1HB ASP 29 1HB ASP 29 115.324 67.634 35.028 230 2HB ASP 29 2HB ASP 29 113.630 67.147 34.960 231 H LEU 30 H LEU 30 111.992 68.834 37.746 232 HA LEU 30 HA LEU 30 113.273 67.299 39.898 233 1HB LEU 30 1HB LEU 30 111.693 69.173 40.274 234 2HB LEU 30 2HB LEU 30 110.426 68.262 39.452 235 HG LEU 30 HG LEU 30 111.181 66.411 41.259 236 1HD1 LEU 30 1HD1 LEU 30 111.879 69.114 42.406 237 2HD1 LEU 30 2HD1 LEU 30 111.397 67.775 43.447 238 3HD1 LEU 30 3HD1 LEU 30 112.833 67.632 42.433 239 1HD2 LEU 30 1HD2 LEU 30 109.218 68.692 41.459 240 2HD2 LEU 30 2HD2 LEU 30 108.900 66.994 41.104 241 3HD2 LEU 30 3HD2 LEU 30 109.331 67.487 42.742 242 H VAL 31 H VAL 31 110.940 66.713 37.302 243 HA VAL 31 HA VAL 31 109.821 64.252 38.093 244 HB VAL 31 HB VAL 31 110.779 65.087 35.333 245 1HG1 VAL 31 1HG1 VAL 31 109.971 62.717 35.629 246 2HG1 VAL 31 2HG1 VAL 31 108.417 63.368 36.150 247 3HG1 VAL 31 3HG1 VAL 31 108.995 63.671 34.511 248 1HG2 VAL 31 1HG2 VAL 31 108.779 66.214 37.129 249 2HG2 VAL 31 2HG2 VAL 31 109.359 66.832 35.583 250 3HG2 VAL 31 3HG2 VAL 31 108.047 65.654 35.626 251 H ASP 32 H ASP 32 112.582 64.569 35.847 252 HA ASP 32 HA ASP 32 113.437 61.874 35.957 253 1HB ASP 32 1HB ASP 32 114.110 64.223 34.687 254 2HB ASP 32 2HB ASP 32 115.530 63.933 35.695 255 H PHE 33 H PHE 33 114.379 64.669 37.977 256 HA PHE 33 HA PHE 33 116.418 63.366 39.495 257 1HB PHE 33 1HB PHE 33 115.965 65.807 39.410 258 2HB PHE 33 2HB PHE 33 114.454 65.546 40.282 259 HD1 PHE 33 HD1 PHE 33 118.073 64.532 40.594 260 HD2 PHE 33 HD2 PHE 33 114.505 65.928 42.585 261 HE1 PHE 33 HE1 PHE 33 119.305 64.592 42.760 262 HE2 PHE 33 HE2 PHE 33 115.738 65.987 44.752 263 HZ PHE 33 HZ PHE 33 118.138 65.320 44.839 264 H ALA 34 H ALA 34 112.924 63.794 40.166 265 HA ALA 34 HA ALA 34 112.784 62.414 42.631 266 1HB ALA 34 1HB ALA 34 111.061 63.737 41.095 267 2HB ALA 34 2HB ALA 34 110.651 62.114 40.541 268 3HB ALA 34 3HB ALA 34 110.486 62.532 42.246 269 H VAL 35 H VAL 35 112.845 61.187 39.306 270 HA VAL 35 HA VAL 35 112.371 58.408 40.097 271 HB VAL 35 HB VAL 35 113.176 59.860 37.559 272 1HG1 VAL 35 1HG1 VAL 35 114.062 57.543 37.570 273 2HG1 VAL 35 2HG1 VAL 35 112.439 56.942 37.908 274 3HG1 VAL 35 3HG1 VAL 35 112.779 57.753 36.379 275 1HG2 VAL 35 1HG2 VAL 35 110.610 58.648 38.612 276 2HG2 VAL 35 2HG2 VAL 35 110.908 60.328 38.167 277 3HG2 VAL 35 3HG2 VAL 35 110.829 59.086 36.917 278 H GLU 36 H GLU 36 115.147 60.357 38.957 279 HA GLU 36 HA GLU 36 117.069 58.226 39.014 280 1HB GLU 36 1HB GLU 36 117.547 60.130 37.708 281 2HB GLU 36 2HB GLU 36 117.053 61.242 38.979 282 1HG GLU 36 1HG GLU 36 119.123 61.306 39.855 283 2HG GLU 36 2HG GLU 36 119.281 59.552 39.806 284 H TYR 37 H TYR 37 115.767 60.367 41.485 285 HA TYR 37 HA TYR 37 117.889 59.851 43.427 286 1HB TYR 37 1HB TYR 37 116.587 61.919 43.415 287 2HB TYR 37 2HB TYR 37 115.090 61.009 43.618 288 HD1 TYR 37 HD1 TYR 37 118.491 61.005 45.252 289 HD2 TYR 37 HD2 TYR 37 114.206 61.129 45.775 290 HE1 TYR 37 HE1 TYR 37 118.794 61.046 47.727 291 HE2 TYR 37 HE2 TYR 37 114.510 61.169 48.249 292 HH TYR 37 HH TYR 37 116.090 61.589 49.906 293 H PHE 38 H PHE 38 114.387 59.121 43.653 294 HA PHE 38 HA PHE 38 114.530 57.195 45.688 295 1HB PHE 38 1HB PHE 38 112.708 57.594 43.309 296 2HB PHE 38 2HB PHE 38 112.378 56.368 44.534 297 HD1 PHE 38 HD1 PHE 38 113.191 57.614 47.039 298 HD2 PHE 38 HD2 PHE 38 111.192 59.364 43.636 299 HE1 PHE 38 HE1 PHE 38 112.200 59.358 48.519 300 HE2 PHE 38 HE2 PHE 38 110.200 61.108 45.116 301 HZ PHE 38 HZ PHE 38 110.705 61.106 47.557 302 H THR 39 H THR 39 114.541 56.574 42.152 303 HA THR 39 HA THR 39 114.781 53.783 42.155 304 HB THR 39 HB THR 39 116.119 55.861 40.391 305 HG1 THR 39 HG1 THR 39 114.207 56.091 39.580 306 1HG2 THR 39 1HG2 THR 39 116.303 53.004 40.395 307 2HG2 THR 39 2HG2 THR 39 115.378 53.507 38.979 308 3HG2 THR 39 3HG2 THR 39 117.000 54.147 39.245 309 H ARG 40 H ARG 40 117.504 56.128 42.165 310 HA ARG 40 HA ARG 40 119.574 54.172 42.460 311 1HB ARG 40 1HB ARG 40 119.619 56.676 41.800 312 2HB ARG 40 2HB ARG 40 119.626 56.996 43.535 313 1HG ARG 40 1HG ARG 40 121.790 56.367 43.753 314 2HG ARG 40 2HG ARG 40 121.561 54.941 42.739 315 1HD ARG 40 1HD ARG 40 121.414 56.764 40.798 316 2HD ARG 40 2HD ARG 40 122.383 57.709 41.947 317 HE ARG 40 HE ARG 40 123.529 55.156 41.947 318 1HH1 ARG 40 1HH1 ARG 40 124.151 58.082 40.635 319 2HH1 ARG 40 2HH1 ARG 40 124.913 57.516 39.186 320 1HH2 ARG 40 1HH2 ARG 40 123.953 54.217 39.652 321 2HH2 ARG 40 2HH2 ARG 40 124.801 55.328 38.629 322 H LEU 41 H LEU 41 117.358 55.614 44.748 323 HA LEU 41 HA LEU 41 118.827 55.162 47.172 324 1HB LEU 41 1HB LEU 41 116.495 56.353 46.431 325 2HB LEU 41 2HB LEU 41 115.873 54.871 47.157 326 HG LEU 41 HG LEU 41 117.893 56.667 48.521 327 1HD1 LEU 41 1HD1 LEU 41 115.619 57.738 48.054 328 2HD1 LEU 41 2HD1 LEU 41 114.930 56.504 49.107 329 3HD1 LEU 41 3HD1 LEU 41 116.098 57.659 49.748 330 1HD2 LEU 41 1HD2 LEU 41 116.545 54.107 49.120 331 2HD2 LEU 41 2HD2 LEU 41 118.050 54.763 49.765 332 3HD2 LEU 41 3HD2 LEU 41 116.503 55.281 50.435 333 H ARG 42 H ARG 42 116.870 53.064 45.126 334 HA ARG 42 HA ARG 42 116.372 50.930 46.942 335 1HB ARG 42 1HB ARG 42 116.266 51.517 44.107 336 2HB ARG 42 2HB ARG 42 116.847 49.872 44.365 337 1HG ARG 42 1HG ARG 42 114.745 49.212 44.809 338 2HG ARG 42 2HG ARG 42 114.701 50.311 46.188 339 1HD ARG 42 1HD ARG 42 112.863 50.832 44.620 340 2HD ARG 42 2HD ARG 42 114.036 52.164 44.643 341 HE ARG 42 HE ARG 42 114.977 51.284 42.542 342 1HH1 ARG 42 1HH1 ARG 42 113.806 48.467 43.049 343 2HH1 ARG 42 2HH1 ARG 42 112.604 48.401 41.803 344 1HH2 ARG 42 1HH2 ARG 42 112.670 51.815 41.191 345 2HH2 ARG 42 2HH2 ARG 42 111.963 50.296 40.750 346 H GLU 43 H GLU 43 118.973 51.146 44.477 347 HA GLU 43 HA GLU 43 120.447 48.875 45.355 348 1HB GLU 43 1HB GLU 43 120.903 51.341 43.729 349 2HB GLU 43 2HB GLU 43 122.323 50.406 44.202 350 1HG GLU 43 1HG GLU 43 121.748 48.612 42.896 351 2HG GLU 43 2HG GLU 43 120.019 48.857 43.141 352 H ALA 44 H ALA 44 120.277 52.131 46.619 353 HA ALA 44 HA ALA 44 122.761 52.297 48.003 354 1HB ALA 44 1HB ALA 44 120.268 53.677 47.803 355 2HB ALA 44 2HB ALA 44 120.632 53.470 49.519 356 3HB ALA 44 3HB ALA 44 121.789 54.282 48.460 357 H ARG 45 H ARG 45 119.643 51.754 49.629 358 HA ARG 45 HA ARG 45 120.604 50.743 52.032 359 1HB ARG 45 1HB ARG 45 118.246 51.359 51.328 360 2HB ARG 45 2HB ARG 45 118.134 49.768 50.574 361 1HG ARG 45 1HG ARG 45 117.222 49.407 52.714 362 2HG ARG 45 2HG ARG 45 118.890 48.865 52.894 363 1HD ARG 45 1HD ARG 45 119.454 50.627 54.264 364 2HD ARG 45 2HD ARG 45 118.361 51.753 53.434 365 HE ARG 45 HE ARG 45 116.886 49.648 54.767 366 1HH1 ARG 45 1HH1 ARG 45 119.092 51.428 56.367 367 2HH1 ARG 45 2HH1 ARG 45 117.983 52.407 57.268 368 1HH2 ARG 45 1HH2 ARG 45 115.210 51.419 55.434 369 2HH2 ARG 45 2HH2 ARG 45 115.785 52.403 56.739 370 H ARG 46 H ARG 46 120.169 49.018 48.976 371 HA ARG 46 HA ARG 46 121.208 46.522 50.274 372 1HB ARG 46 1HB ARG 46 118.904 46.776 49.026 373 2HB ARG 46 2HB ARG 46 119.895 46.675 47.571 374 1HG ARG 46 1HG ARG 46 120.858 44.544 48.380 375 2HG ARG 46 2HG ARG 46 119.841 44.638 49.819 376 1HD ARG 46 1HD ARG 46 117.908 44.116 48.654 377 2HD ARG 46 2HD ARG 46 118.500 44.841 47.146 378 HE ARG 46 HE ARG 46 120.020 42.497 48.069 379 1HH1 ARG 46 1HH1 ARG 46 119.751 43.503 45.211 380 2HH1 ARG 46 2HH1 ARG 46 118.731 42.287 44.519 381 1HH2 ARG 46 1HH2 ARG 46 117.710 41.024 47.582 382 2HH2 ARG 46 2HH2 ARG 46 117.576 40.883 45.862 383 1H HIS 1 1H HIS 1 113.565 78.542 60.501 384 2H HIS 1 2H HIS 1 113.669 76.909 60.054 385 3H HIS 1 3H HIS 1 115.067 77.749 60.533 386 HA HIS 1 HA HIS 1 115.098 79.052 58.576 387 1HB HIS 1 1HB HIS 1 114.408 76.128 58.187 388 2HB HIS 1 2HB HIS 1 115.034 77.138 56.884 389 HD1 HIS 1 HD1 HIS 1 116.046 75.373 60.001 390 HD2 HIS 1 HD2 HIS 1 117.749 78.048 57.293 391 HE1 HIS 1 HE1 HIS 1 118.535 75.384 60.472 392 H MET 2 H MET 2 113.546 80.540 57.952 393 HA MET 2 HA MET 2 110.864 79.528 57.098 394 1HB MET 2 1HB MET 2 111.688 81.578 58.772 395 2HB MET 2 2HB MET 2 111.320 82.424 57.269 396 1HG MET 2 1HG MET 2 109.083 81.624 57.240 397 2HG MET 2 2HG MET 2 109.423 80.398 58.461 398 1HE MET 2 1HE MET 2 109.229 83.891 57.436 399 2HE MET 2 2HE MET 2 107.609 83.812 58.125 400 3HE MET 2 3HE MET 2 108.817 84.869 58.852 401 H GLY 3 H GLY 3 113.544 81.651 56.062 402 1HA GLY 3 1HA GLY 3 114.239 82.247 53.898 403 2HA GLY 3 2HA GLY 3 113.235 80.928 53.292 404 H HIS 4 H HIS 4 113.434 83.509 52.048 405 HA HIS 4 HA HIS 4 110.588 84.401 52.336 406 1HB HIS 4 1HB HIS 4 113.170 85.926 52.440 407 2HB HIS 4 2HB HIS 4 111.740 86.721 51.781 408 HD1 HIS 4 HD1 HIS 4 109.513 85.836 53.551 409 HD2 HIS 4 HD2 HIS 4 113.290 86.712 55.083 410 HE1 HIS 4 HE1 HIS 4 109.187 86.358 56.008 411 H ILE 5 H ILE 5 113.515 84.703 50.304 412 HA ILE 5 HA ILE 5 111.734 84.567 47.891 413 HB ILE 5 HB ILE 5 112.842 86.749 48.328 414 1HG1 ILE 5 1HG1 ILE 5 114.408 86.401 46.072 415 2HG1 ILE 5 2HG1 ILE 5 113.237 85.088 45.938 416 1HG2 ILE 5 1HG2 ILE 5 115.375 85.097 48.097 417 2HG2 ILE 5 2HG2 ILE 5 115.324 86.859 48.119 418 3HG2 ILE 5 3HG2 ILE 5 114.805 85.944 49.535 419 1HD1 ILE 5 1HD1 ILE 5 111.700 87.262 46.757 420 2HD1 ILE 5 2HD1 ILE 5 112.837 87.961 45.603 421 3HD1 ILE 5 3HD1 ILE 5 111.797 86.621 45.117 422 H GLN 6 H GLN 6 112.654 82.180 49.085 423 HA GLN 6 HA GLN 6 114.554 81.215 46.989 424 1HB GLN 6 1HB GLN 6 115.336 81.823 49.532 425 2HB GLN 6 2HB GLN 6 114.882 80.130 49.727 426 1HG GLN 6 1HG GLN 6 116.452 79.399 48.123 427 2HG GLN 6 2HG GLN 6 116.637 81.016 47.441 428 1HE2 GLN 6 2HE2 GLN 6 117.568 82.697 49.088 429 2HE2 GLN 6 1HE2 GLN 6 118.783 82.138 50.133 430 H ILE 7 H ILE 7 111.670 80.872 47.195 431 HA ILE 7 HA ILE 7 111.481 77.964 47.900 432 HB ILE 7 HB ILE 7 109.441 80.207 47.813 433 1HG1 ILE 7 1HG1 ILE 7 110.967 80.206 49.763 434 2HG1 ILE 7 2HG1 ILE 7 109.321 79.794 50.243 435 1HG2 ILE 7 1HG2 ILE 7 109.160 77.237 47.992 436 2HG2 ILE 7 2HG2 ILE 7 108.106 78.222 49.006 437 3HG2 ILE 7 3HG2 ILE 7 108.083 78.422 47.254 438 1HD1 ILE 7 1HD1 ILE 7 110.474 77.340 49.565 439 2HD1 ILE 7 2HD1 ILE 7 111.746 78.195 50.438 440 3HD1 ILE 7 3HD1 ILE 7 110.176 77.938 51.198 441 HA PRO 8 HA PRO 8 111.015 77.662 43.439 442 1HB PRO 8 1HB PRO 8 110.867 74.939 43.326 443 2HB PRO 8 2HB PRO 8 112.399 75.817 43.504 444 1HG PRO 8 1HG PRO 8 110.761 74.436 45.561 445 2HG PRO 8 2HG PRO 8 112.519 74.511 45.383 446 1HD PRO 8 1HD PRO 8 111.121 76.013 47.178 447 2HD PRO 8 2HD PRO 8 112.674 76.515 46.474 448 HA PRO 9 HA PRO 9 106.529 77.290 43.905 449 1HB PRO 9 1HB PRO 9 105.899 78.505 41.536 450 2HB PRO 9 2HB PRO 9 106.328 79.411 43.002 451 1HG PRO 9 1HG PRO 9 107.987 78.772 40.619 452 2HG PRO 9 2HG PRO 9 107.936 80.245 41.598 453 1HD PRO 9 1HD PRO 9 109.888 78.345 41.816 454 2HD PRO 9 2HD PRO 9 109.406 79.427 43.142 455 H GLY 10 H GLY 10 104.983 75.890 42.884 456 1HA GLY 10 1HA GLY 10 104.240 74.436 41.091 457 2HA GLY 10 2HA GLY 10 105.890 74.416 40.465 458 H LEU 11 H LEU 11 106.964 73.986 43.240 459 HA LEU 11 HA LEU 11 107.054 71.106 43.190 460 1HB LEU 11 1HB LEU 11 108.836 72.594 44.045 461 2HB LEU 11 2HB LEU 11 107.768 73.120 45.348 462 HG LEU 11 HG LEU 11 107.586 70.673 46.025 463 1HD1 LEU 11 1HD1 LEU 11 108.470 69.888 43.762 464 2HD1 LEU 11 2HD1 LEU 11 110.069 70.380 44.319 465 3HD1 LEU 11 3HD1 LEU 11 109.190 69.113 45.174 466 1HD2 LEU 11 1HD2 LEU 11 109.982 72.429 46.240 467 2HD2 LEU 11 2HD2 LEU 11 108.953 71.771 47.513 468 3HD2 LEU 11 3HD2 LEU 11 110.184 70.755 46.759 469 H THR 12 H THR 12 105.109 73.452 44.987 470 HA THR 12 HA THR 12 104.027 71.598 46.918 471 HB THR 12 HB THR 12 102.957 74.206 45.789 472 HG1 THR 12 HG1 THR 12 104.434 75.106 46.956 473 1HG2 THR 12 1HG2 THR 12 102.264 72.536 48.196 474 2HG2 THR 12 2HG2 THR 12 101.982 74.276 48.192 475 3HG2 THR 12 3HG2 THR 12 101.182 73.251 47.002 476 H GLU 13 H GLU 13 103.127 72.521 43.634 477 HA GLU 13 HA GLU 13 100.479 71.348 43.670 478 1HB GLU 13 1HB GLU 13 101.689 73.087 42.098 479 2HB GLU 13 2HB GLU 13 102.191 71.644 41.216 480 1HG GLU 13 1HG GLU 13 99.996 71.054 40.664 481 2HG GLU 13 2HG GLU 13 99.306 71.997 41.985 482 H LEU 14 H LEU 14 103.558 70.232 42.193 483 HA LEU 14 HA LEU 14 102.680 67.687 41.333 484 1HB LEU 14 1HB LEU 14 104.856 68.917 40.884 485 2HB LEU 14 2HB LEU 14 105.395 68.396 42.480 486 HG LEU 14 HG LEU 14 104.304 66.149 41.031 487 1HD1 LEU 14 1HD1 LEU 14 105.038 67.606 39.081 488 2HD1 LEU 14 2HD1 LEU 14 106.682 67.474 39.704 489 3HD1 LEU 14 3HD1 LEU 14 105.821 66.029 39.172 490 1HD2 LEU 14 1HD2 LEU 14 106.786 66.953 42.467 491 2HD2 LEU 14 2HD2 LEU 14 105.783 65.517 42.673 492 3HD2 LEU 14 3HD2 LEU 14 106.931 65.607 41.337 493 H LEU 15 H LEU 15 104.350 68.494 44.406 494 HA LEU 15 HA LEU 15 104.270 65.952 45.612 495 1HB LEU 15 1HB LEU 15 104.597 68.758 46.350 496 2HB LEU 15 2HB LEU 15 103.839 67.829 47.643 497 HG LEU 15 HG LEU 15 106.313 67.800 47.822 498 1HD1 LEU 15 1HD1 LEU 15 104.647 65.379 47.430 499 2HD1 LEU 15 2HD1 LEU 15 106.390 65.115 47.430 500 3HD1 LEU 15 3HD1 LEU 15 105.612 65.869 48.821 501 1HD2 LEU 15 1HD2 LEU 15 106.466 67.849 45.190 502 2HD2 LEU 15 2HD2 LEU 15 107.707 67.007 46.118 503 3HD2 LEU 15 3HD2 LEU 15 106.410 66.094 45.347 504 H GLN 16 H GLN 16 101.747 68.472 45.517 505 HA GLN 16 HA GLN 16 99.884 67.377 47.331 506 1HB GLN 16 1HB GLN 16 100.042 69.432 45.448 507 2HB GLN 16 2HB GLN 16 98.698 68.441 44.876 508 1HG GLN 16 1HG GLN 16 98.093 68.488 47.496 509 2HG GLN 16 2HG GLN 16 98.951 70.024 47.386 510 1HE2 GLN 16 2HE2 GLN 16 98.203 70.779 44.727 511 2HE2 GLN 16 1HE2 GLN 16 96.530 71.068 44.702 512 H GLY 17 H GLY 17 100.331 66.642 43.857 513 1HA GLY 17 1HA GLY 17 98.182 64.830 43.546 514 2HA GLY 17 2HA GLY 17 99.684 64.750 42.622 515 H TYR 18 H TYR 18 101.597 64.053 44.318 516 HA TYR 18 HA TYR 18 101.395 61.309 44.786 517 1HB TYR 18 1HB TYR 18 103.274 63.242 45.031 518 2HB TYR 18 2HB TYR 18 102.934 62.950 46.736 519 HD1 TYR 18 HD1 TYR 18 102.987 60.670 43.752 520 HD2 TYR 18 HD2 TYR 18 104.635 61.603 47.629 521 HE1 TYR 18 HE1 TYR 18 104.363 58.590 43.667 522 HE2 TYR 18 HE2 TYR 18 106.011 59.527 47.549 523 HH TYR 18 HH TYR 18 105.876 57.271 46.362 524 H THR 19 H THR 19 100.793 63.932 47.141 525 HA THR 19 HA THR 19 100.178 62.403 49.417 526 HB THR 19 HB THR 19 98.979 64.986 48.362 527 HG1 THR 19 HG1 THR 19 101.184 64.384 50.036 528 1HG2 THR 19 1HG2 THR 19 98.112 63.491 50.536 529 2HG2 THR 19 2HG2 THR 19 99.208 64.671 51.255 530 3HG2 THR 19 3HG2 THR 19 97.836 65.216 50.291 531 H VAL 20 H VAL 20 98.113 63.205 46.634 532 HA VAL 20 HA VAL 20 95.704 62.044 47.809 533 HB VAL 20 HB VAL 20 96.452 62.803 44.966 534 1HG1 VAL 20 1HG1 VAL 20 94.206 61.418 45.946 535 2HG1 VAL 20 2HG1 VAL 20 93.661 63.077 45.699 536 3HG1 VAL 20 3HG1 VAL 20 94.374 62.174 44.362 537 1HG2 VAL 20 1HG2 VAL 20 96.431 64.501 47.047 538 2HG2 VAL 20 2HG2 VAL 20 95.840 64.972 45.454 539 3HG2 VAL 20 3HG2 VAL 20 94.701 64.479 46.707 540 H GLU 21 H GLU 21 98.384 60.873 45.873 541 HA GLU 21 HA GLU 21 96.968 58.383 45.118 542 1HB GLU 21 1HB GLU 21 99.925 58.739 44.797 543 2HB GLU 21 2HB GLU 21 98.762 58.044 43.675 544 1HG GLU 21 1HG GLU 21 97.910 60.628 43.732 545 2HG GLU 21 2HG GLU 21 99.641 60.849 43.996 546 H VAL 22 H VAL 22 100.014 59.144 46.799 547 HA VAL 22 HA VAL 22 100.511 56.629 47.950 548 HB VAL 22 HB VAL 22 101.019 59.371 49.151 549 1HG1 VAL 22 1HG1 VAL 22 101.524 57.397 50.588 550 2HG1 VAL 22 2HG1 VAL 22 102.588 56.788 49.320 551 3HG1 VAL 22 3HG1 VAL 22 102.971 58.301 50.141 552 1HG2 VAL 22 1HG2 VAL 22 102.243 57.903 46.838 553 2HG2 VAL 22 2HG2 VAL 22 101.926 59.628 47.023 554 3HG2 VAL 22 3HG2 VAL 22 103.288 58.886 47.863 555 H LEU 23 H LEU 23 98.202 59.101 48.899 556 HA LEU 23 HA LEU 23 97.681 57.891 51.532 557 1HB LEU 23 1HB LEU 23 97.570 60.329 51.088 558 2HB LEU 23 2HB LEU 23 96.266 60.051 49.932 559 HG LEU 23 HG LEU 23 95.297 58.732 52.111 560 1HD1 LEU 23 1HD1 LEU 23 96.948 61.075 53.093 561 2HD1 LEU 23 2HD1 LEU 23 95.657 60.329 54.035 562 3HD1 LEU 23 3HD1 LEU 23 97.084 59.389 53.596 563 1HD2 LEU 23 1HD2 LEU 23 94.246 60.523 50.630 564 2HD2 LEU 23 2HD2 LEU 23 93.775 60.575 52.330 565 3HD2 LEU 23 3HD2 LEU 23 94.968 61.716 51.710 566 H ARG 24 H ARG 24 96.165 57.982 48.319 567 HA ARG 24 HA ARG 24 93.843 56.409 49.251 568 1HB ARG 24 1HB ARG 24 94.092 58.352 47.451 569 2HB ARG 24 2HB ARG 24 94.474 57.001 46.382 570 1HG ARG 24 1HG ARG 24 92.129 56.576 48.129 571 2HG ARG 24 2HG ARG 24 91.934 57.845 46.918 572 1HD ARG 24 1HD ARG 24 92.624 56.262 45.142 573 2HD ARG 24 2HD ARG 24 92.798 54.982 46.361 574 HE ARG 24 HE ARG 24 90.391 55.102 46.761 575 1HH1 ARG 24 1HH2 ARG 24 91.307 55.590 43.647 576 2HH1 ARG 24 2HH2 ARG 24 89.903 56.473 43.148 577 1HH2 ARG 24 1HH1 ARG 24 88.692 56.886 46.370 578 2HH2 ARG 24 2HH1 ARG 24 88.423 57.206 44.690 579 H GLN 25 H GLN 25 96.359 55.994 46.720 580 HA GLN 25 HA GLN 25 95.813 53.284 46.111 581 1HB GLN 25 1HB GLN 25 97.869 55.295 45.684 582 2HB GLN 25 2HB GLN 25 98.578 53.689 45.850 583 1HG GLN 25 1HG GLN 25 98.040 53.417 43.666 584 2HG GLN 25 2HG GLN 25 96.388 53.202 44.246 585 1HE2 GLN 25 2HE2 GLN 25 94.861 54.858 43.775 586 2HE2 GLN 25 1HE2 GLN 25 95.248 56.265 42.909 587 H GLN 26 H GLN 26 97.998 54.665 48.569 588 HA GLN 26 HA GLN 26 99.086 53.635 50.401 589 1HB GLN 26 1HB GLN 26 96.357 52.659 50.092 590 2HB GLN 26 2HB GLN 26 97.376 51.472 50.907 591 1HG GLN 26 1HG GLN 26 98.154 53.292 52.453 592 2HG GLN 26 2HG GLN 26 96.968 54.365 51.708 593 1HE2 GLN 26 2HE2 GLN 26 94.994 54.412 52.782 594 2HE2 GLN 26 1HE2 GLN 26 94.368 53.152 53.730 595 HA PRO 27 HA PRO 27 100.499 50.176 47.524 596 1HB PRO 27 1HB PRO 27 102.934 51.234 46.857 597 2HB PRO 27 2HB PRO 27 101.458 51.539 45.921 598 1HG PRO 27 1HG PRO 27 102.808 53.262 47.938 599 2HG PRO 27 2HG PRO 27 102.026 53.709 46.413 600 1HD PRO 27 1HD PRO 27 100.847 54.033 48.844 601 2HD PRO 27 2HD PRO 27 99.934 53.752 47.346 602 HA PRO 28 HA PRO 28 102.907 48.543 50.833 603 1HB PRO 28 1HB PRO 28 104.363 46.620 49.537 604 2HB PRO 28 2HB PRO 28 102.630 46.449 49.886 605 1HG PRO 28 1HG PRO 28 103.983 47.227 47.349 606 2HG PRO 28 2HG PRO 28 102.567 46.194 47.604 607 1HD PRO 28 1HD PRO 28 102.396 48.781 46.780 608 2HD PRO 28 2HD PRO 28 101.128 47.972 47.726 609 H ASP 29 H ASP 29 104.531 49.646 47.914 610 HA ASP 29 HA ASP 29 106.921 50.356 49.580 611 1HB ASP 29 1HB ASP 29 106.683 49.004 46.890 612 2HB ASP 29 2HB ASP 29 108.163 49.846 47.354 613 H LEU 30 H LEU 30 107.119 52.558 49.557 614 HA LEU 30 HA LEU 30 105.785 54.184 47.507 615 1HB LEU 30 1HB LEU 30 105.868 54.768 49.916 616 2HB LEU 30 2HB LEU 30 107.626 54.876 49.822 617 HG LEU 30 HG LEU 30 106.985 56.525 47.789 618 1HD1 LEU 30 1HD1 LEU 30 104.648 56.512 49.697 619 2HD1 LEU 30 2HD1 LEU 30 105.063 57.953 48.770 620 3HD1 LEU 30 3HD1 LEU 30 104.625 56.463 47.934 621 1HD2 LEU 30 1HD2 LEU 30 107.251 57.037 50.749 622 2HD2 LEU 30 2HD2 LEU 30 108.442 57.300 49.474 623 3HD2 LEU 30 3HD2 LEU 30 107.051 58.376 49.619 624 H VAL 31 H VAL 31 109.088 53.191 48.311 625 HA VAL 31 HA VAL 31 110.612 54.983 46.764 626 HB VAL 31 HB VAL 31 110.973 51.982 47.071 627 1HG1 VAL 31 1HG1 VAL 31 112.492 53.183 45.457 628 2HG1 VAL 31 2HG1 VAL 31 113.039 54.187 46.799 629 3HG1 VAL 31 3HG1 VAL 31 113.339 52.449 46.820 630 1HG2 VAL 31 1HG2 VAL 31 110.960 54.156 49.012 631 2HG2 VAL 31 2HG2 VAL 31 111.067 52.417 49.289 632 3HG2 VAL 31 3HG2 VAL 31 112.529 53.350 48.964 633 H ASP 32 H ASP 32 109.645 51.719 45.674 634 HA ASP 32 HA ASP 32 110.212 52.084 42.926 635 1HB ASP 32 1HB ASP 32 109.307 50.113 44.624 636 2HB ASP 32 2HB ASP 32 107.895 50.393 43.601 637 H PHE 33 H PHE 33 107.198 52.688 44.749 638 HA PHE 33 HA PHE 33 105.539 53.368 42.524 639 1HB PHE 33 1HB PHE 33 104.787 52.900 44.845 640 2HB PHE 33 2HB PHE 33 105.541 54.403 45.380 641 HD1 PHE 33 HD1 PHE 33 103.237 53.258 42.620 642 HD2 PHE 33 HD2 PHE 33 104.130 56.251 45.602 643 HE1 PHE 33 HE1 PHE 33 101.193 54.523 41.960 644 HE2 PHE 33 HE2 PHE 33 102.086 57.517 44.941 645 HZ PHE 33 HZ PHE 33 100.618 56.654 43.121 646 H ALA 34 H ALA 34 107.507 55.441 44.682 647 HA ALA 34 HA ALA 34 106.956 57.948 43.496 648 1HB ALA 34 1HB ALA 34 108.389 57.103 45.573 649 2HB ALA 34 2HB ALA 34 109.718 57.219 44.420 650 3HB ALA 34 3HB ALA 34 108.757 58.647 44.806 651 H VAL 35 H VAL 35 109.211 55.390 42.532 652 HA VAL 35 HA VAL 35 110.419 56.961 40.378 653 HB VAL 35 HB VAL 35 110.487 54.067 41.284 654 1HG1 VAL 35 1HG1 VAL 35 110.915 54.243 38.848 655 2HG1 VAL 35 2HG1 VAL 35 112.182 55.425 39.170 656 3HG1 VAL 35 3HG1 VAL 35 112.360 53.765 39.736 657 1HG2 VAL 35 1HG2 VAL 35 112.344 56.443 41.555 658 2HG2 VAL 35 2HG2 VAL 35 111.583 55.514 42.847 659 3HG2 VAL 35 3HG2 VAL 35 112.863 54.788 41.876 660 H GLU 36 H GLU 36 108.114 54.236 40.639 661 HA GLU 36 HA GLU 36 107.681 53.927 37.818 662 1HB GLU 36 1HB GLU 36 107.145 52.122 39.234 663 2HB GLU 36 2HB GLU 36 106.327 53.158 40.400 664 1HG GLU 36 1HG GLU 36 104.351 52.939 39.349 665 2HG GLU 36 2HG GLU 36 105.068 53.257 37.770 666 H TYR 37 H TYR 37 106.351 56.108 40.239 667 HA TYR 37 HA TYR 37 104.048 56.914 38.629 668 1HB TYR 37 1HB TYR 37 104.039 56.991 41.073 669 2HB TYR 37 2HB TYR 37 105.428 58.077 41.070 670 HD1 TYR 37 HD1 TYR 37 102.132 57.909 39.240 671 HD2 TYR 37 HD2 TYR 37 104.885 60.295 41.558 672 HE1 TYR 37 HE1 TYR 37 100.606 59.869 39.036 673 HE2 TYR 37 HE2 TYR 37 103.359 62.255 41.353 674 HH TYR 37 HH TYR 37 101.167 62.840 40.835 675 H PHE 38 H PHE 38 106.786 58.895 39.821 676 HA PHE 38 HA PHE 38 106.510 61.043 38.035 677 1HB PHE 38 1HB PHE 38 108.875 59.749 39.404 678 2HB PHE 38 2HB PHE 38 109.039 61.249 38.490 679 HD1 PHE 38 HD1 PHE 38 106.576 62.705 39.044 680 HD2 PHE 38 HD2 PHE 38 108.982 60.289 41.693 681 HE1 PHE 38 HE1 PHE 38 105.717 63.992 40.998 682 HE2 PHE 38 HE2 PHE 38 108.123 61.577 43.648 683 HZ PHE 38 HZ PHE 38 106.490 63.428 43.300 684 H THR 39 H THR 39 108.625 58.171 37.619 685 HA THR 39 HA THR 39 109.732 58.753 35.114 686 HB THR 39 HB THR 39 108.735 56.120 36.249 687 HG1 THR 39 HG1 THR 39 110.426 56.256 37.466 688 1HG2 THR 39 1HG2 THR 39 109.902 56.744 33.709 689 2HG2 THR 39 2HG2 THR 39 111.075 55.833 34.661 690 3HG2 THR 39 3HG2 THR 39 109.472 55.161 34.360 691 H ARG 40 H ARG 40 106.691 56.932 35.696 692 HA ARG 40 HA ARG 40 105.945 56.715 32.940 693 1HB ARG 40 1HB ARG 40 105.104 55.515 35.075 694 2HB ARG 40 2HB ARG 40 104.050 56.913 35.286 695 1HG ARG 40 1HG ARG 40 102.667 56.257 33.618 696 2HG ARG 40 2HG ARG 40 104.013 55.853 32.553 697 1HD ARG 40 1HD ARG 40 104.297 53.815 34.248 698 2HD ARG 40 2HD ARG 40 102.568 54.112 34.514 699 HE ARG 40 HE ARG 40 102.912 54.217 31.738 700 1HH1 ARG 40 1HH1 ARG 40 101.809 52.088 33.956 701 2HH1 ARG 40 2HH1 ARG 40 102.275 50.641 33.125 702 1HH2 ARG 40 1HH2 ARG 40 104.238 52.295 30.795 703 2HH2 ARG 40 2HH2 ARG 40 103.651 50.759 31.335 704 H LEU 41 H LEU 41 105.687 59.330 35.247 705 HA LEU 41 HA LEU 41 103.577 60.834 34.016 706 1HB LEU 41 1HB LEU 41 105.091 60.978 36.271 707 2HB LEU 41 2HB LEU 41 105.844 62.251 35.309 708 HG LEU 41 HG LEU 41 102.853 62.040 35.741 709 1HD1 LEU 41 1HD1 LEU 41 104.238 62.427 37.857 710 2HD1 LEU 41 2HD1 LEU 41 104.751 63.947 37.125 711 3HD1 LEU 41 3HD1 LEU 41 103.045 63.669 37.478 712 1HD2 LEU 41 1HD2 LEU 41 104.686 63.804 34.238 713 2HD2 LEU 41 2HD2 LEU 41 102.967 63.499 33.993 714 3HD2 LEU 41 3HD2 LEU 41 103.491 64.656 35.216 715 H ARG 42 H ARG 42 107.016 60.510 33.310 716 HA ARG 42 HA ARG 42 107.406 62.814 31.685 717 1HB ARG 42 1HB ARG 42 108.687 60.297 32.333 718 2HB ARG 42 2HB ARG 42 108.892 60.660 30.620 719 1HG ARG 42 1HG ARG 42 110.478 62.165 31.141 720 2HG ARG 42 2HG ARG 42 109.286 63.090 32.056 721 1HD ARG 42 1HD ARG 42 111.180 62.464 33.514 722 2HD ARG 42 2HD ARG 42 109.711 61.610 34.031 723 HE ARG 42 HE ARG 42 110.539 59.609 32.858 724 1HH1 ARG 42 1HH1 ARG 42 112.413 61.280 31.055 725 2HH1 ARG 42 2HH1 ARG 42 113.956 60.787 31.668 726 1HH2 ARG 42 1HH2 ARG 42 112.655 59.391 34.563 727 2HH2 ARG 42 2HH2 ARG 42 114.093 59.717 33.655 728 H GLU 43 H GLU 43 106.720 59.464 30.601 729 HA GLU 43 HA GLU 43 106.244 60.093 27.867 730 1HB GLU 43 1HB GLU 43 105.631 57.888 29.789 731 2HB GLU 43 2HB GLU 43 104.794 57.869 28.236 732 1HG GLU 43 1HG GLU 43 106.712 57.462 27.050 733 2HG GLU 43 2HG GLU 43 107.716 58.406 28.152 734 H ALA 44 H ALA 44 104.216 60.451 30.693 735 HA ALA 44 HA ALA 44 101.630 60.443 29.493 736 1HB ALA 44 1HB ALA 44 102.893 61.080 31.976 737 2HB ALA 44 2HB ALA 44 101.828 62.423 31.553 738 3HB ALA 44 3HB ALA 44 101.179 60.784 31.678 739 H ARG 45 H ARG 45 103.275 63.397 30.601 740 HA ARG 45 HA ARG 45 101.798 65.254 29.157 741 1HB ARG 45 1HB ARG 45 103.577 65.587 30.934 742 2HB ARG 45 2HB ARG 45 104.782 65.388 29.662 743 1HG ARG 45 1HG ARG 45 104.490 67.721 29.752 744 2HG ARG 45 2HG ARG 45 103.441 67.239 28.418 745 1HD ARG 45 1HD ARG 45 101.514 67.715 29.585 746 2HD ARG 45 2HD ARG 45 102.219 67.231 31.141 747 HE ARG 45 HE ARG 45 103.552 69.566 30.066 748 1HH1 ARG 45 1HH1 ARG 45 100.313 69.474 30.385 749 2HH1 ARG 45 2HH1 ARG 45 100.191 70.512 31.766 750 1HH2 ARG 45 1HH2 ARG 45 103.593 70.467 32.432 751 2HH2 ARG 45 2HH2 ARG 45 102.048 71.074 32.924 752 H ARG 46 H ARG 46 104.494 63.274 28.014 753 HA ARG 46 HA ARG 46 104.215 64.519 25.300 754 1HB ARG 46 1HB ARG 46 106.408 64.453 26.757 755 2HB ARG 46 2HB ARG 46 106.499 62.781 26.202 756 1HG ARG 46 1HG ARG 46 106.362 63.557 23.857 757 2HG ARG 46 2HG ARG 46 106.304 65.228 24.420 758 1HD ARG 46 1HD ARG 46 108.542 65.246 25.022 759 2HD ARG 46 2HD ARG 46 108.564 63.508 25.378 760 HE ARG 46 HE ARG 46 108.071 64.183 22.558 761 1HH1 ARG 46 1HH1 ARG 46 109.289 61.617 23.655 762 2HH1 ARG 46 2HH1 ARG 46 110.943 61.797 23.174 763 1HH2 ARG 46 1HH2 ARG 46 110.661 65.192 22.523 764 2HH2 ARG 46 2HH2 ARG 46 111.720 63.821 22.532 Start of MODEL 3 1 1H HIS 1 1H HIS 1 80.378 63.155 56.527 2 2H HIS 1 2H HIS 1 80.901 63.912 57.955 3 3H HIS 1 3H HIS 1 81.985 63.688 56.670 4 HA HIS 1 HA HIS 1 82.524 62.015 58.235 5 1HB HIS 1 1HB HIS 1 79.564 62.122 58.486 6 2HB HIS 1 2HB HIS 1 80.304 60.545 58.758 7 HD1 HIS 1 HD1 HIS 1 80.362 64.095 60.062 8 HD2 HIS 1 HD2 HIS 1 81.761 60.322 61.151 9 HE1 HIS 1 HE1 HIS 1 81.251 64.315 62.423 10 H MET 2 H MET 2 83.563 60.623 56.862 11 HA MET 2 HA MET 2 82.000 58.693 55.282 12 1HB MET 2 1HB MET 2 82.802 61.166 54.188 13 2HB MET 2 2HB MET 2 83.925 59.974 53.532 14 1HG MET 2 1HG MET 2 80.948 59.476 53.559 15 2HG MET 2 2HG MET 2 81.722 60.356 52.240 16 1HE MET 2 1HE MET 2 84.128 59.486 51.448 17 2HE MET 2 2HE MET 2 84.053 57.964 50.551 18 3HE MET 2 3HE MET 2 82.868 59.230 50.243 19 H GLY 3 H GLY 3 83.309 57.445 56.959 20 1HA GLY 3 1HA GLY 3 85.005 55.743 56.987 21 2HA GLY 3 2HA GLY 3 85.888 56.639 55.749 22 H HIS 4 H HIS 4 87.862 56.906 56.780 23 HA HIS 4 HA HIS 4 87.856 58.717 59.143 24 1HB HIS 4 1HB HIS 4 88.096 55.964 59.359 25 2HB HIS 4 2HB HIS 4 89.775 56.504 59.346 26 HD1 HIS 4 HD1 HIS 4 90.639 57.142 61.590 27 HD2 HIS 4 HD2 HIS 4 86.514 57.697 61.336 28 HE1 HIS 4 HE1 HIS 4 89.883 57.952 63.868 29 H ILE 5 H ILE 5 90.191 59.442 59.591 30 HA ILE 5 HA ILE 5 91.660 59.702 56.989 31 HB ILE 5 HB ILE 5 91.415 61.507 59.418 32 1HG1 ILE 5 1HG1 ILE 5 90.601 62.968 57.293 33 2HG1 ILE 5 2HG1 ILE 5 90.146 61.359 56.731 34 1HG2 ILE 5 1HG2 ILE 5 93.348 61.431 57.189 35 2HG2 ILE 5 2HG2 ILE 5 92.590 63.003 57.447 36 3HG2 ILE 5 3HG2 ILE 5 93.473 62.223 58.759 37 1HD1 ILE 5 1HD1 ILE 5 88.956 61.002 58.915 38 2HD1 ILE 5 2HD1 ILE 5 89.297 62.683 59.323 39 3HD1 ILE 5 3HD1 ILE 5 88.267 62.301 57.944 40 H GLN 6 H GLN 6 93.952 59.447 57.046 41 HA GLN 6 HA GLN 6 95.092 58.428 59.626 42 1HB GLN 6 1HB GLN 6 94.876 57.231 56.912 43 2HB GLN 6 2HB GLN 6 96.413 56.989 57.744 44 1HG GLN 6 1HG GLN 6 93.965 56.560 59.372 45 2HG GLN 6 2HG GLN 6 94.277 55.369 58.109 46 1HE2 GLN 6 2HE2 GLN 6 95.482 56.685 61.156 47 2HE2 GLN 6 1HE2 GLN 6 96.692 55.517 61.392 48 H ILE 7 H ILE 7 97.223 59.090 60.027 49 HA ILE 7 HA ILE 7 98.703 60.531 57.896 50 HB ILE 7 HB ILE 7 99.080 62.362 59.750 51 1HG1 ILE 7 1HG1 ILE 7 97.122 62.688 61.202 52 2HG1 ILE 7 2HG1 ILE 7 96.393 61.209 60.577 53 1HG2 ILE 7 1HG2 ILE 7 97.479 62.154 57.520 54 2HG2 ILE 7 2HG2 ILE 7 96.326 62.634 58.767 55 3HG2 ILE 7 3HG2 ILE 7 97.742 63.633 58.442 56 1HD1 ILE 7 1HD1 ILE 7 99.059 61.328 62.013 57 2HD1 ILE 7 2HD1 ILE 7 97.534 60.878 62.776 58 3HD1 ILE 7 3HD1 ILE 7 98.209 59.874 61.494 59 HA PRO 8 HA PRO 8 101.189 57.980 60.966 60 1HB PRO 8 1HB PRO 8 102.129 56.124 59.191 61 2HB PRO 8 2HB PRO 8 100.621 55.916 60.105 62 1HG PRO 8 1HG PRO 8 101.021 56.803 57.294 63 2HG PRO 8 2HG PRO 8 99.793 55.724 57.971 64 1HD PRO 8 1HD PRO 8 99.297 58.318 57.354 65 2HD PRO 8 2HD PRO 8 98.460 57.458 58.666 66 HA PRO 9 HA PRO 9 104.718 60.218 59.509 67 1HB PRO 9 1HB PRO 9 106.609 59.188 61.195 68 2HB PRO 9 2HB PRO 9 105.380 60.355 61.722 69 1HG PRO 9 1HG PRO 9 105.477 57.409 62.100 70 2HG PRO 9 2HG PRO 9 104.896 58.671 63.197 71 1HD PRO 9 1HD PRO 9 103.259 57.075 61.684 72 2HD PRO 9 2HD PRO 9 102.812 58.693 62.270 73 H GLY 10 H GLY 10 107.268 59.441 59.163 74 1HA GLY 10 1HA GLY 10 108.731 57.818 58.175 75 2HA GLY 10 2HA GLY 10 107.343 56.757 57.923 76 H LEU 11 H LEU 11 105.610 58.509 56.588 77 HA LEU 11 HA LEU 11 106.755 58.456 53.907 78 1HB LEU 11 1HB LEU 11 104.422 57.894 54.353 79 2HB LEU 11 2HB LEU 11 104.148 59.478 55.078 80 HG LEU 11 HG LEU 11 104.677 60.552 52.910 81 1HD1 LEU 11 1HD1 LEU 11 105.135 57.680 52.135 82 2HD1 LEU 11 2HD1 LEU 11 104.635 58.856 50.921 83 3HD1 LEU 11 3HD1 LEU 11 106.142 59.090 51.806 84 1HD2 LEU 11 1HD2 LEU 11 102.487 58.513 53.153 85 2HD2 LEU 11 2HD2 LEU 11 102.372 60.273 53.116 86 3HD2 LEU 11 3HD2 LEU 11 102.684 59.378 51.629 87 H THR 12 H THR 12 105.883 60.990 56.254 88 HA THR 12 HA THR 12 106.308 63.248 54.551 89 HB THR 12 HB THR 12 106.703 62.945 57.545 90 HG1 THR 12 HG1 THR 12 104.427 63.320 55.916 91 1HG2 THR 12 1HG2 THR 12 107.510 65.080 56.487 92 2HG2 THR 12 2HG2 THR 12 105.862 65.360 55.926 93 3HG2 THR 12 3HG2 THR 12 106.208 65.306 57.655 94 H GLU 13 H GLU 13 108.521 61.390 56.618 95 HA GLU 13 HA GLU 13 110.800 63.045 56.552 96 1HB GLU 13 1HB GLU 13 110.308 60.071 56.615 97 2HB GLU 13 2HB GLU 13 111.956 60.702 56.633 98 1HG GLU 13 1HG GLU 13 110.763 62.282 58.521 99 2HG GLU 13 2HG GLU 13 109.895 60.763 58.746 100 H LEU 14 H LEU 14 109.700 60.648 54.148 101 HA LEU 14 HA LEU 14 111.966 60.944 52.386 102 1HB LEU 14 1HB LEU 14 109.121 59.950 52.068 103 2HB LEU 14 2HB LEU 14 110.331 59.817 50.792 104 HG LEU 14 HG LEU 14 110.805 58.761 53.586 105 1HD1 LEU 14 1HD1 LEU 14 109.494 57.463 51.197 106 2HD1 LEU 14 2HD1 LEU 14 110.343 56.503 52.408 107 3HD1 LEU 14 3HD1 LEU 14 108.949 57.479 52.874 108 1HD2 LEU 14 1HD2 LEU 14 112.758 59.188 52.075 109 2HD2 LEU 14 2HD2 LEU 14 112.565 57.483 52.484 110 3HD2 LEU 14 3HD2 LEU 14 112.049 58.075 50.904 111 H LEU 15 H LEU 15 108.690 62.381 52.398 112 HA LEU 15 HA LEU 15 109.044 63.915 49.984 113 1HB LEU 15 1HB LEU 15 107.244 64.295 52.402 114 2HB LEU 15 2HB LEU 15 107.010 65.064 50.832 115 HG LEU 15 HG LEU 15 107.079 62.067 51.293 116 1HD1 LEU 15 1HD1 LEU 15 105.077 63.546 52.166 117 2HD1 LEU 15 2HD1 LEU 15 104.649 63.620 50.456 118 3HD1 LEU 15 3HD1 LEU 15 104.749 62.060 51.274 119 1HD2 LEU 15 1HD2 LEU 15 107.344 63.704 48.949 120 2HD2 LEU 15 2HD2 LEU 15 107.304 61.944 49.055 121 3HD2 LEU 15 3HD2 LEU 15 105.803 62.851 48.867 122 H GLN 16 H GLN 16 109.200 64.890 53.443 123 HA GLN 16 HA GLN 16 109.907 67.586 53.141 124 1HB GLN 16 1HB GLN 16 109.658 65.766 55.170 125 2HB GLN 16 2HB GLN 16 111.399 66.051 55.185 126 1HG GLN 16 1HG GLN 16 110.871 68.539 55.162 127 2HG GLN 16 2HG GLN 16 109.191 68.097 55.471 128 1HE2 GLN 16 2HE2 GLN 16 108.706 67.009 57.549 129 2HE2 GLN 16 1HE2 GLN 16 109.785 67.128 58.853 130 H GLY 17 H GLY 17 111.945 64.703 52.810 131 1HA GLY 17 1HA GLY 17 114.479 65.998 52.725 132 2HA GLY 17 2HA GLY 17 114.110 64.463 51.932 133 H TYR 18 H TYR 18 112.441 64.932 49.965 134 HA TYR 18 HA TYR 18 113.830 66.081 47.853 135 1HB TYR 18 1HB TYR 18 111.538 64.744 48.162 136 2HB TYR 18 2HB TYR 18 110.854 66.358 47.977 137 HD1 TYR 18 HD1 TYR 18 113.910 64.823 46.417 138 HD2 TYR 18 HD2 TYR 18 109.958 66.456 45.806 139 HE1 TYR 18 HE1 TYR 18 114.231 64.684 43.945 140 HE2 TYR 18 HE2 TYR 18 110.278 66.320 43.340 141 HH TYR 18 HH TYR 18 111.931 66.114 41.706 142 H THR 19 H THR 19 111.434 67.720 49.963 143 HA THR 19 HA THR 19 111.329 70.242 48.717 144 HB THR 19 HB THR 19 111.392 69.435 51.648 145 HG1 THR 19 HG1 THR 19 109.259 69.231 51.411 146 1HG2 THR 19 1HG2 THR 19 110.669 72.051 50.321 147 2HG2 THR 19 2HG2 THR 19 110.093 71.612 51.929 148 3HG2 THR 19 3HG2 THR 19 111.823 71.779 51.627 149 H VAL 20 H VAL 20 113.578 69.245 51.324 150 HA VAL 20 HA VAL 20 115.298 71.545 51.127 151 HB VAL 20 HB VAL 20 115.366 68.752 52.254 152 1HG1 VAL 20 1HG1 VAL 20 117.767 70.604 52.132 153 2HG1 VAL 20 2HG1 VAL 20 117.653 69.181 53.169 154 3HG1 VAL 20 3HG1 VAL 20 117.644 68.994 51.413 155 1HG2 VAL 20 1HG2 VAL 20 115.080 71.524 53.192 156 2HG2 VAL 20 2HG2 VAL 20 114.488 70.026 53.911 157 3HG2 VAL 20 3HG2 VAL 20 116.151 70.542 54.192 158 H GLU 21 H GLU 21 115.377 68.281 49.739 159 HA GLU 21 HA GLU 21 117.794 68.308 48.330 160 1HB GLU 21 1HB GLU 21 115.508 66.743 48.587 161 2HB GLU 21 2HB GLU 21 115.538 67.146 46.872 162 1HG GLU 21 1HG GLU 21 117.333 65.856 46.486 163 2HG GLU 21 2HG GLU 21 118.169 66.452 47.926 164 H VAL 22 H VAL 22 114.658 68.862 46.720 165 HA VAL 22 HA VAL 22 115.646 69.971 44.344 166 HB VAL 22 HB VAL 22 113.099 70.679 45.843 167 1HG1 VAL 22 1HG1 VAL 22 113.839 71.983 43.728 168 2HG1 VAL 22 2HG1 VAL 22 113.518 70.481 42.861 169 3HG1 VAL 22 3HG1 VAL 22 112.216 71.291 43.733 170 1HG2 VAL 22 1HG2 VAL 22 113.964 68.282 44.238 171 2HG2 VAL 22 2HG2 VAL 22 113.048 68.337 45.744 172 3HG2 VAL 22 3HG2 VAL 22 112.272 68.776 44.223 173 H LEU 23 H LEU 23 115.417 71.444 47.503 174 HA LEU 23 HA LEU 23 115.641 74.199 46.509 175 1HB LEU 23 1HB LEU 23 115.262 72.732 49.027 176 2HB LEU 23 2HB LEU 23 116.270 74.168 49.203 177 HG LEU 23 HG LEU 23 113.608 74.199 47.763 178 1HD1 LEU 23 1HD1 LEU 23 114.279 74.722 50.669 179 2HD1 LEU 23 2HD1 LEU 23 112.810 75.327 49.903 180 3HD1 LEU 23 3HD1 LEU 23 113.091 73.589 50.025 181 1HD2 LEU 23 1HD2 LEU 23 115.584 76.262 48.741 182 2HD2 LEU 23 2HD2 LEU 23 114.880 76.088 47.133 183 3HD2 LEU 23 3HD2 LEU 23 113.893 76.684 48.468 184 H ARG 24 H ARG 24 117.799 71.604 47.365 185 HA ARG 24 HA ARG 24 120.120 73.470 47.555 186 1HB ARG 24 1HB ARG 24 119.663 71.694 49.278 187 2HB ARG 24 2HB ARG 24 119.914 70.479 48.025 188 1HG ARG 24 1HG ARG 24 122.143 70.618 48.281 189 2HG ARG 24 2HG ARG 24 122.097 72.355 47.983 190 1HD ARG 24 1HD ARG 24 121.127 72.303 50.520 191 2HD ARG 24 2HD ARG 24 122.204 70.893 50.565 192 HE ARG 24 HE ARG 24 123.840 72.632 49.361 193 1HH1 ARG 24 1HH1 ARG 24 121.991 74.887 50.184 194 2HH1 ARG 24 2HH1 ARG 24 122.722 75.408 51.666 195 1HH2 ARG 24 1HH2 ARG 24 124.633 72.538 52.040 196 2HH2 ARG 24 2HH2 ARG 24 124.217 74.077 52.716 197 H GLN 25 H GLN 25 119.333 70.343 45.972 198 HA GLN 25 HA GLN 25 121.489 70.313 44.137 199 1HB GLN 25 1HB GLN 25 118.765 69.120 44.381 200 2HB GLN 25 2HB GLN 25 119.554 68.996 42.807 201 1HG GLN 25 1HG GLN 25 120.476 67.121 43.745 202 2HG GLN 25 2HG GLN 25 121.620 68.291 44.404 203 1HE2 GLN 25 2HE2 GLN 25 121.202 65.933 45.853 204 2HE2 GLN 25 1HE2 GLN 25 120.319 66.270 47.262 205 H GLN 26 H GLN 26 118.214 71.682 43.777 206 HA GLN 26 HA GLN 26 117.355 73.195 42.174 207 1HB GLN 26 1HB GLN 26 119.853 74.044 43.205 208 2HB GLN 26 2HB GLN 26 119.888 74.400 41.478 209 1HG GLN 26 1HG GLN 26 117.625 75.181 43.340 210 2HG GLN 26 2HG GLN 26 118.922 76.267 42.837 211 1HE2 GLN 26 2HE2 GLN 26 117.768 77.690 41.456 212 2HE2 GLN 26 1HE2 GLN 26 116.919 77.178 40.077 213 HA PRO 27 HA PRO 27 119.419 70.611 38.780 214 1HB PRO 27 1HB PRO 27 117.390 68.817 38.366 215 2HB PRO 27 2HB PRO 27 118.718 68.528 39.507 216 1HG PRO 27 1HG PRO 27 115.940 69.460 40.035 217 2HG PRO 27 2HG PRO 27 116.942 68.323 40.952 218 1HD PRO 27 1HD PRO 27 116.568 70.907 41.703 219 2HD PRO 27 2HD PRO 27 118.047 69.993 42.070 220 HA PRO 28 HA PRO 28 117.032 72.909 35.867 221 1HB PRO 28 1HB PRO 28 117.569 71.551 33.550 222 2HB PRO 28 2HB PRO 28 118.751 72.610 34.347 223 1HG PRO 28 1HG PRO 28 118.527 69.642 34.408 224 2HG PRO 28 2HG PRO 28 119.970 70.664 34.321 225 1HD PRO 28 1HD PRO 28 119.125 69.473 36.617 226 2HD PRO 28 2HD PRO 28 120.029 71.003 36.587 227 H ASP 29 H ASP 29 116.644 69.406 36.003 228 HA ASP 29 HA ASP 29 113.796 69.739 35.113 229 1HB ASP 29 1HB ASP 29 115.944 67.734 34.483 230 2HB ASP 29 2HB ASP 29 114.255 67.228 34.430 231 H LEU 30 H LEU 30 112.451 69.341 36.824 232 HA LEU 30 HA LEU 30 113.390 67.945 39.223 233 1HB LEU 30 1HB LEU 30 111.880 69.933 39.196 234 2HB LEU 30 2HB LEU 30 110.647 68.954 38.399 235 HG LEU 30 HG LEU 30 111.079 67.329 40.445 236 1HD1 LEU 30 1HD1 LEU 30 112.447 69.838 41.164 237 2HD1 LEU 30 2HD1 LEU 30 111.315 69.260 42.387 238 3HD1 LEU 30 3HD1 LEU 30 112.632 68.220 41.843 239 1HD2 LEU 30 1HD2 LEU 30 109.507 69.920 40.614 240 2HD2 LEU 30 2HD2 LEU 30 108.931 68.392 39.948 241 3HD2 LEU 30 3HD2 LEU 30 109.269 68.530 41.674 242 H VAL 31 H VAL 31 111.043 67.291 36.614 243 HA VAL 31 HA VAL 31 109.873 64.908 37.519 244 HB VAL 31 HB VAL 31 110.855 65.568 34.720 245 1HG1 VAL 31 1HG1 VAL 31 109.964 63.235 35.177 246 2HG1 VAL 31 2HG1 VAL 31 108.422 63.982 35.590 247 3HG1 VAL 31 3HG1 VAL 31 109.071 64.144 33.959 248 1HG2 VAL 31 1HG2 VAL 31 108.986 66.921 36.442 249 2HG2 VAL 31 2HG2 VAL 31 109.424 67.314 34.779 250 3HG2 VAL 31 3HG2 VAL 31 108.101 66.192 35.102 251 H ASP 32 H ASP 32 112.725 65.089 35.371 252 HA ASP 32 HA ASP 32 113.450 62.339 35.578 253 1HB ASP 32 1HB ASP 32 114.134 64.380 34.028 254 2HB ASP 32 2HB ASP 32 115.454 64.537 35.190 255 H PHE 33 H PHE 33 114.345 65.180 37.518 256 HA PHE 33 HA PHE 33 116.411 63.924 39.071 257 1HB PHE 33 1HB PHE 33 116.097 66.343 38.919 258 2HB PHE 33 2HB PHE 33 114.489 66.207 39.629 259 HD1 PHE 33 HD1 PHE 33 118.004 65.070 40.403 260 HD2 PHE 33 HD2 PHE 33 114.300 66.710 41.900 261 HE1 PHE 33 HE1 PHE 33 118.992 65.219 42.687 262 HE2 PHE 33 HE2 PHE 33 115.289 66.858 44.183 263 HZ PHE 33 HZ PHE 33 117.634 66.114 44.577 264 H ALA 34 H ALA 34 112.906 64.341 39.622 265 HA ALA 34 HA ALA 34 112.722 63.179 42.198 266 1HB ALA 34 1HB ALA 34 111.002 63.776 39.879 267 2HB ALA 34 2HB ALA 34 110.399 62.465 40.894 268 3HB ALA 34 3HB ALA 34 110.705 64.054 41.595 269 H VAL 35 H VAL 35 112.833 61.658 38.986 270 HA VAL 35 HA VAL 35 112.313 58.971 39.983 271 HB VAL 35 HB VAL 35 113.434 60.083 37.390 272 1HG1 VAL 35 1HG1 VAL 35 112.470 57.343 38.208 273 2HG1 VAL 35 2HG1 VAL 35 112.511 57.855 36.521 274 3HG1 VAL 35 3HG1 VAL 35 114.003 57.779 37.457 275 1HG2 VAL 35 1HG2 VAL 35 111.157 60.882 37.996 276 2HG2 VAL 35 2HG2 VAL 35 111.131 59.834 36.577 277 3HG2 VAL 35 3HG2 VAL 35 110.629 59.207 38.146 278 H GLU 36 H GLU 36 115.209 60.750 38.866 279 HA GLU 36 HA GLU 36 117.101 58.648 39.135 280 1HB GLU 36 1HB GLU 36 117.286 61.659 39.442 281 2HB GLU 36 2HB GLU 36 118.695 60.604 39.326 282 1HG GLU 36 1HG GLU 36 116.534 60.416 37.248 283 2HG GLU 36 2HG GLU 36 117.727 61.712 37.146 284 H TYR 37 H TYR 37 115.685 60.803 41.553 285 HA TYR 37 HA TYR 37 117.600 60.139 43.650 286 1HB TYR 37 1HB TYR 37 116.348 62.248 43.578 287 2HB TYR 37 2HB TYR 37 114.822 61.365 43.672 288 HD1 TYR 37 HD1 TYR 37 118.099 61.669 45.507 289 HD2 TYR 37 HD2 TYR 37 113.835 61.037 45.771 290 HE1 TYR 37 HE1 TYR 37 118.255 61.649 47.995 291 HE2 TYR 37 HE2 TYR 37 113.992 61.017 48.259 292 HH TYR 37 HH TYR 37 115.505 61.856 50.017 293 H PHE 38 H PHE 38 114.113 59.370 43.270 294 HA PHE 38 HA PHE 38 114.061 57.406 45.360 295 1HB PHE 38 1HB PHE 38 112.352 58.137 42.988 296 2HB PHE 38 2HB PHE 38 111.924 56.763 44.008 297 HD1 PHE 38 HD1 PHE 38 112.650 57.577 46.697 298 HD2 PHE 38 HD2 PHE 38 110.914 59.923 43.515 299 HE1 PHE 38 HE1 PHE 38 111.663 59.128 48.380 300 HE2 PHE 38 HE2 PHE 38 109.928 61.474 45.198 301 HZ PHE 38 HZ PHE 38 110.301 61.077 47.631 302 H THR 39 H THR 39 114.415 57.090 41.812 303 HA THR 39 HA THR 39 114.377 54.276 41.603 304 HB THR 39 HB THR 39 115.991 56.385 40.135 305 HG1 THR 39 HG1 THR 39 113.726 56.616 40.058 306 1HG2 THR 39 1HG2 THR 39 116.225 53.580 39.984 307 2HG2 THR 39 2HG2 THR 39 115.282 54.063 38.573 308 3HG2 THR 39 3HG2 THR 39 116.875 54.766 38.852 309 H ARG 40 H ARG 40 117.150 56.433 42.300 310 HA ARG 40 HA ARG 40 119.154 54.403 42.442 311 1HB ARG 40 1HB ARG 40 119.249 57.009 42.397 312 2HB ARG 40 2HB ARG 40 119.090 56.888 44.151 313 1HG ARG 40 1HG ARG 40 121.352 56.680 44.134 314 2HG ARG 40 2HG ARG 40 121.033 55.017 43.641 315 1HD ARG 40 1HD ARG 40 120.961 55.989 41.217 316 2HD ARG 40 2HD ARG 40 121.827 57.367 41.926 317 HE ARG 40 HE ARG 40 122.818 54.552 41.909 318 1HH1 ARG 40 1HH1 ARG 40 123.216 57.318 43.729 319 2HH1 ARG 40 2HH1 ARG 40 124.914 57.490 43.439 320 1HH2 ARG 40 1HH2 ARG 40 125.020 55.018 41.010 321 2HH2 ARG 40 2HH2 ARG 40 125.936 56.188 41.900 322 H LEU 41 H LEU 41 116.790 55.560 44.800 323 HA LEU 41 HA LEU 41 117.929 54.332 47.136 324 1HB LEU 41 1HB LEU 41 115.561 55.762 46.294 325 2HB LEU 41 2HB LEU 41 115.104 54.409 47.330 326 HG LEU 41 HG LEU 41 117.324 55.449 48.619 327 1HD1 LEU 41 1HD1 LEU 41 116.145 57.509 46.933 328 2HD1 LEU 41 2HD1 LEU 41 116.039 57.939 48.640 329 3HD1 LEU 41 3HD1 LEU 41 117.607 57.575 47.919 330 1HD2 LEU 41 1HD2 LEU 41 114.356 55.925 48.990 331 2HD2 LEU 41 2HD2 LEU 41 115.361 54.719 49.793 332 3HD2 LEU 41 3HD2 LEU 41 115.559 56.428 50.176 333 H ARG 42 H ARG 42 115.937 53.116 44.503 334 HA ARG 42 HA ARG 42 115.034 50.696 45.783 335 1HB ARG 42 1HB ARG 42 115.087 51.973 43.136 336 2HB ARG 42 2HB ARG 42 115.162 50.212 43.059 337 1HG ARG 42 1HG ARG 42 113.233 50.926 45.044 338 2HG ARG 42 2HG ARG 42 112.885 51.854 43.585 339 1HD ARG 42 1HD ARG 42 113.406 48.865 43.527 340 2HD ARG 42 2HD ARG 42 111.779 49.562 43.662 341 HE ARG 42 HE ARG 42 112.039 50.521 41.461 342 1HH1 ARG 42 1HH1 ARG 42 113.839 47.790 41.900 343 2HH1 ARG 42 2HH1 ARG 42 115.005 48.112 40.660 344 1HH2 ARG 42 1HH2 ARG 42 113.947 51.373 40.142 345 2HH2 ARG 42 2HH2 ARG 42 115.066 50.140 39.665 346 H GLU 43 H GLU 43 117.988 51.596 44.070 347 HA GLU 43 HA GLU 43 118.995 48.931 43.635 348 1HB GLU 43 1HB GLU 43 119.695 51.604 43.099 349 2HB GLU 43 2HB GLU 43 121.025 50.964 44.065 350 1HG GLU 43 1HG GLU 43 121.170 49.013 42.532 351 2HG GLU 43 2HG GLU 43 119.893 49.720 41.541 352 H ALA 44 H ALA 44 119.191 51.204 46.341 353 HA ALA 44 HA ALA 44 121.242 50.069 47.896 354 1HB ALA 44 1HB ALA 44 119.084 51.899 48.159 355 2HB ALA 44 2HB ALA 44 118.975 50.782 49.524 356 3HB ALA 44 3HB ALA 44 120.458 51.701 49.249 357 H ARG 45 H ARG 45 117.764 49.426 48.397 358 HA ARG 45 HA ARG 45 117.949 47.268 50.132 359 1HB ARG 45 1HB ARG 45 116.036 48.499 48.369 360 2HB ARG 45 2HB ARG 45 115.837 46.748 48.297 361 1HG ARG 45 1HG ARG 45 114.749 46.831 50.263 362 2HG ARG 45 2HG ARG 45 116.236 47.393 51.026 363 1HD ARG 45 1HD ARG 45 115.608 49.640 50.909 364 2HD ARG 45 2HD ARG 45 114.511 49.364 49.542 365 HE ARG 45 HE ARG 45 113.642 47.835 51.816 366 1HH1 ARG 45 1HH1 ARG 45 114.377 51.012 52.106 367 2HH1 ARG 45 2HH1 ARG 45 112.755 51.595 52.283 368 1HH2 ARG 45 1HH2 ARG 45 111.294 48.583 51.373 369 2HH2 ARG 45 2HH2 ARG 45 111.009 50.219 51.867 370 H ARG 46 H ARG 46 117.716 44.910 49.709 371 HA ARG 46 HA ARG 46 118.822 44.047 47.060 372 1HB ARG 46 1HB ARG 46 120.291 42.504 48.324 373 2HB ARG 46 2HB ARG 46 120.587 44.179 48.790 374 1HG ARG 46 1HG ARG 46 118.488 43.193 50.444 375 2HG ARG 46 2HG ARG 46 119.782 41.994 50.456 376 1HD ARG 46 1HD ARG 46 121.418 43.769 51.030 377 2HD ARG 46 2HD ARG 46 120.099 44.958 51.059 378 HE ARG 46 HE ARG 46 119.173 42.954 52.713 379 1HH1 ARG 46 1HH1 ARG 46 121.973 42.242 53.358 380 2HH1 ARG 46 2HH1 ARG 46 122.343 43.301 54.679 381 1HH2 ARG 46 1HH2 ARG 46 119.681 45.434 54.057 382 2HH2 ARG 46 2HH2 ARG 46 121.046 45.110 55.074 383 1H HIS 1 1H HIS 1 122.725 84.286 60.872 384 2H HIS 1 2H HIS 1 121.258 85.083 61.186 385 3H HIS 1 3H HIS 1 121.250 83.547 60.465 386 HA HIS 1 HA HIS 1 120.843 85.062 58.710 387 1HB HIS 1 1HB HIS 1 122.788 86.586 60.362 388 2HB HIS 1 2HB HIS 1 122.857 86.876 58.624 389 HD1 HIS 1 HD1 HIS 1 120.477 87.086 61.556 390 HD2 HIS 1 HD2 HIS 1 120.685 88.324 57.581 391 HE1 HIS 1 HE1 HIS 1 118.519 88.650 61.190 392 H MET 2 H MET 2 121.456 83.761 57.026 393 HA MET 2 HA MET 2 124.295 83.588 56.271 394 1HB MET 2 1HB MET 2 123.117 81.677 57.980 395 2HB MET 2 2HB MET 2 123.208 80.903 56.397 396 1HG MET 2 1HG MET 2 125.566 82.387 57.554 397 2HG MET 2 2HG MET 2 125.272 80.690 57.934 398 1HE MET 2 1HE MET 2 124.361 79.140 55.947 399 2HE MET 2 2HE MET 2 125.590 78.784 54.726 400 3HE MET 2 3HE MET 2 126.005 78.738 56.437 401 H GLY 3 H GLY 3 123.078 84.747 54.464 402 1HA GLY 3 1HA GLY 3 122.645 84.428 52.122 403 2HA GLY 3 2HA GLY 3 122.227 82.746 52.454 404 H HIS 4 H HIS 4 120.155 82.671 51.601 405 HA HIS 4 HA HIS 4 118.094 84.249 53.058 406 1HB HIS 4 1HB HIS 4 119.106 85.008 50.592 407 2HB HIS 4 2HB HIS 4 117.655 84.105 50.158 408 HD1 HIS 4 HD1 HIS 4 115.581 85.481 50.163 409 HD2 HIS 4 HD2 HIS 4 118.411 86.983 52.829 410 HE1 HIS 4 HE1 HIS 4 114.572 87.572 51.174 411 H ILE 5 H ILE 5 115.848 83.400 52.421 412 HA ILE 5 HA ILE 5 116.006 80.444 51.948 413 HB ILE 5 HB ILE 5 114.088 82.191 53.527 414 1HG1 ILE 5 1HG1 ILE 5 115.081 80.371 55.266 415 2HG1 ILE 5 2HG1 ILE 5 116.450 80.495 54.162 416 1HG2 ILE 5 1HG2 ILE 5 113.880 79.423 52.515 417 2HG2 ILE 5 2HG2 ILE 5 113.551 79.599 54.238 418 3HG2 ILE 5 3HG2 ILE 5 112.611 80.519 53.064 419 1HD1 ILE 5 1HD1 ILE 5 116.348 82.992 54.418 420 2HD1 ILE 5 2HD1 ILE 5 115.105 82.770 55.648 421 3HD1 ILE 5 3HD1 ILE 5 116.732 82.148 55.917 422 H GLN 6 H GLN 6 114.451 79.521 50.517 423 HA GLN 6 HA GLN 6 112.788 81.471 48.958 424 1HB GLN 6 1HB GLN 6 114.901 79.537 48.153 425 2HB GLN 6 2HB GLN 6 113.484 79.617 47.104 426 1HG GLN 6 1HG GLN 6 114.606 82.223 47.982 427 2HG GLN 6 2HG GLN 6 115.590 81.296 46.850 428 1HE2 GLN 6 2HE2 GLN 6 112.544 83.040 47.223 429 2HE2 GLN 6 1HE2 GLN 6 112.101 82.983 45.585 430 H ILE 7 H ILE 7 110.741 80.690 48.377 431 HA ILE 7 HA ILE 7 110.097 77.837 48.884 432 HB ILE 7 HB ILE 7 108.014 78.800 50.172 433 1HG1 ILE 7 1HG1 ILE 7 108.520 80.848 51.440 434 2HG1 ILE 7 2HG1 ILE 7 110.058 81.011 50.592 435 1HG2 ILE 7 1HG2 ILE 7 110.408 77.665 50.923 436 2HG2 ILE 7 2HG2 ILE 7 110.368 79.135 51.896 437 3HG2 ILE 7 3HG2 ILE 7 109.049 77.971 52.005 438 1HD1 ILE 7 1HD1 ILE 7 107.348 81.006 49.236 439 2HD1 ILE 7 2HD1 ILE 7 108.257 82.461 49.639 440 3HD1 ILE 7 3HD1 ILE 7 108.907 81.311 48.471 441 HA PRO 8 HA PRO 8 107.935 79.982 45.302 442 1HB PRO 8 1HB PRO 8 109.042 78.496 43.290 443 2HB PRO 8 2HB PRO 8 109.756 80.010 43.884 444 1HG PRO 8 1HG PRO 8 110.489 77.195 44.518 445 2HG PRO 8 2HG PRO 8 111.534 78.595 44.231 446 1HD PRO 8 1HD PRO 8 110.985 77.647 46.713 447 2HD PRO 8 2HD PRO 8 111.321 79.363 46.384 448 HA PRO 9 HA PRO 9 105.098 76.583 45.377 449 1HB PRO 9 1HB PRO 9 103.360 77.429 43.443 450 2HB PRO 9 2HB PRO 9 103.421 78.147 45.066 451 1HG PRO 9 1HG PRO 9 104.542 79.158 42.506 452 2HG PRO 9 2HG PRO 9 103.801 80.047 43.844 453 1HD PRO 9 1HD PRO 9 106.503 79.887 43.413 454 2HD PRO 9 2HD PRO 9 105.763 80.189 45.001 455 H GLY 10 H GLY 10 103.809 75.330 43.377 456 1HA GLY 10 1HA GLY 10 104.030 74.225 41.259 457 2HA GLY 10 2HA GLY 10 105.653 74.899 41.105 458 H LEU 11 H LEU 11 106.763 74.102 43.552 459 HA LEU 11 HA LEU 11 107.339 71.298 42.994 460 1HB LEU 11 1HB LEU 11 109.049 72.872 43.737 461 2HB LEU 11 2HB LEU 11 108.132 73.225 45.201 462 HG LEU 11 HG LEU 11 108.360 70.860 45.903 463 1HD1 LEU 11 1HD1 LEU 11 109.782 70.700 43.254 464 2HD1 LEU 11 2HD1 LEU 11 110.209 69.593 44.558 465 3HD1 LEU 11 3HD1 LEU 11 108.564 69.615 43.925 466 1HD2 LEU 11 1HD2 LEU 11 110.767 72.561 45.328 467 2HD2 LEU 11 2HD2 LEU 11 110.039 72.148 46.881 468 3HD2 LEU 11 3HD2 LEU 11 111.000 70.952 46.011 469 H THR 12 H THR 12 105.569 73.075 45.524 470 HA THR 12 HA THR 12 105.079 70.864 47.270 471 HB THR 12 HB THR 12 103.399 73.327 46.700 472 HG1 THR 12 HG1 THR 12 105.696 72.865 48.275 473 1HG2 THR 12 1HG2 THR 12 102.359 71.525 48.116 474 2HG2 THR 12 2HG2 THR 12 103.697 71.720 49.249 475 3HG2 THR 12 3HG2 THR 12 102.585 73.058 48.958 476 H GLU 13 H GLU 13 103.298 72.101 44.455 477 HA GLU 13 HA GLU 13 100.922 70.604 44.649 478 1HB GLU 13 1HB GLU 13 102.639 71.619 42.388 479 2HB GLU 13 2HB GLU 13 101.152 70.734 42.048 480 1HG GLU 13 1HG GLU 13 100.293 72.497 43.957 481 2HG GLU 13 2HG GLU 13 101.514 73.459 43.123 482 H LEU 14 H LEU 14 104.074 69.633 43.285 483 HA LEU 14 HA LEU 14 103.208 67.026 42.393 484 1HB LEU 14 1HB LEU 14 105.881 68.283 43.068 485 2HB LEU 14 2HB LEU 14 105.729 66.677 42.355 486 HG LEU 14 HG LEU 14 104.450 69.120 41.119 487 1HD1 LEU 14 1HD1 LEU 14 107.228 67.987 40.796 488 2HD1 LEU 14 2HD1 LEU 14 106.448 68.880 39.491 489 3HD1 LEU 14 3HD1 LEU 14 106.749 69.667 41.041 490 1HD2 LEU 14 1HD2 LEU 14 103.623 66.840 40.492 491 2HD2 LEU 14 2HD2 LEU 14 104.355 67.701 39.139 492 3HD2 LEU 14 3HD2 LEU 14 105.255 66.431 39.967 493 H LEU 15 H LEU 15 104.879 68.159 45.346 494 HA LEU 15 HA LEU 15 105.148 65.551 46.538 495 1HB LEU 15 1HB LEU 15 105.018 68.341 47.732 496 2HB LEU 15 2HB LEU 15 105.634 66.911 48.562 497 HG LEU 15 HG LEU 15 106.751 68.020 45.970 498 1HD1 LEU 15 1HD1 LEU 15 107.047 69.302 48.255 499 2HD1 LEU 15 2HD1 LEU 15 108.200 68.012 48.598 500 3HD1 LEU 15 3HD1 LEU 15 108.438 69.057 47.198 501 1HD2 LEU 15 1HD2 LEU 15 106.996 65.481 47.283 502 2HD2 LEU 15 2HD2 LEU 15 107.806 66.034 45.816 503 3HD2 LEU 15 3HD2 LEU 15 108.545 66.318 47.392 504 H GLN 16 H GLN 16 102.799 68.202 47.158 505 HA GLN 16 HA GLN 16 101.184 66.958 49.084 506 1HB GLN 16 1HB GLN 16 101.176 69.261 47.603 507 2HB GLN 16 2HB GLN 16 99.783 68.419 46.923 508 1HG GLN 16 1HG GLN 16 99.008 68.021 49.314 509 2HG GLN 16 2HG GLN 16 100.264 69.155 49.815 510 1HE2 GLN 16 2HE2 GLN 16 100.050 71.423 49.084 511 2HE2 GLN 16 1HE2 GLN 16 98.549 72.023 48.568 512 H GLY 17 H GLY 17 101.244 66.466 45.574 513 1HA GLY 17 1HA GLY 17 98.858 64.931 45.333 514 2HA GLY 17 2HA GLY 17 100.249 64.798 44.253 515 H TYR 18 H TYR 18 102.239 63.749 45.605 516 HA TYR 18 HA TYR 18 101.783 61.027 45.911 517 1HB TYR 18 1HB TYR 18 103.900 62.654 45.983 518 2HB TYR 18 2HB TYR 18 103.729 62.403 47.720 519 HD1 TYR 18 HD1 TYR 18 103.055 60.074 44.846 520 HD2 TYR 18 HD2 TYR 18 105.434 60.916 48.352 521 HE1 TYR 18 HE1 TYR 18 104.159 57.843 44.640 522 HE2 TYR 18 HE2 TYR 18 106.533 58.689 48.146 523 HH TYR 18 HH TYR 18 106.294 56.603 47.146 524 H THR 19 H THR 19 101.653 63.509 48.500 525 HA THR 19 HA THR 19 101.182 61.862 50.734 526 HB THR 19 HB THR 19 100.015 64.548 49.916 527 HG1 THR 19 HG1 THR 19 101.764 65.355 50.884 528 1HG2 THR 19 1HG2 THR 19 99.983 63.089 52.562 529 2HG2 THR 19 2HG2 THR 19 99.775 64.837 52.439 530 3HG2 THR 19 3HG2 THR 19 98.612 63.754 51.673 531 H VAL 20 H VAL 20 98.700 63.328 48.604 532 HA VAL 20 HA VAL 20 96.485 61.816 49.651 533 HB VAL 20 HB VAL 20 97.167 63.442 47.209 534 1HG1 VAL 20 1HG1 VAL 20 94.635 61.797 47.511 535 2HG1 VAL 20 2HG1 VAL 20 94.856 63.085 46.328 536 3HG1 VAL 20 3HG1 VAL 20 95.851 61.628 46.240 537 1HG2 VAL 20 1HG2 VAL 20 95.589 63.691 49.677 538 2HG2 VAL 20 2HG2 VAL 20 96.345 64.945 48.694 539 3HG2 VAL 20 3HG2 VAL 20 94.764 64.304 48.244 540 H GLU 21 H GLU 21 98.671 61.401 46.891 541 HA GLU 21 HA GLU 21 97.648 59.097 45.679 542 1HB GLU 21 1HB GLU 21 99.891 60.739 45.555 543 2HB GLU 21 2HB GLU 21 100.564 59.156 45.940 544 1HG GLU 21 1HG GLU 21 100.076 58.334 43.907 545 2HG GLU 21 2HG GLU 21 98.459 59.046 43.920 546 H VAL 22 H VAL 22 100.467 58.994 47.867 547 HA VAL 22 HA VAL 22 100.455 56.235 48.365 548 HB VAL 22 HB VAL 22 101.187 58.495 50.261 549 1HG1 VAL 22 1HG1 VAL 22 101.127 56.023 51.044 550 2HG1 VAL 22 2HG1 VAL 22 102.512 55.800 49.975 551 3HG1 VAL 22 3HG1 VAL 22 102.613 56.933 51.322 552 1HG2 VAL 22 1HG2 VAL 22 102.504 57.322 47.822 553 2HG2 VAL 22 2HG2 VAL 22 102.375 59.011 48.308 554 3HG2 VAL 22 3HG2 VAL 22 103.504 57.940 49.136 555 H LEU 23 H LEU 23 98.306 58.682 49.626 556 HA LEU 23 HA LEU 23 97.363 57.045 51.875 557 1HB LEU 23 1HB LEU 23 97.026 59.741 50.749 558 2HB LEU 23 2HB LEU 23 95.539 59.076 51.427 559 HG LEU 23 HG LEU 23 98.175 59.039 52.912 560 1HD1 LEU 23 1HD1 LEU 23 95.956 61.098 52.903 561 2HD1 LEU 23 2HD1 LEU 23 97.123 60.955 54.218 562 3HD1 LEU 23 3HD1 LEU 23 97.672 61.362 52.591 563 1HD2 LEU 23 1HD2 LEU 23 95.285 58.476 53.579 564 2HD2 LEU 23 2HD2 LEU 23 96.697 57.456 53.861 565 3HD2 LEU 23 3HD2 LEU 23 96.440 58.898 54.843 566 H ARG 24 H ARG 24 96.590 57.461 48.504 567 HA ARG 24 HA ARG 24 93.954 56.106 48.847 568 1HB ARG 24 1HB ARG 24 94.226 58.230 47.524 569 2HB ARG 24 2HB ARG 24 95.261 57.344 46.403 570 1HG ARG 24 1HG ARG 24 93.463 56.516 45.335 571 2HG ARG 24 2HG ARG 24 92.835 55.855 46.845 572 1HD ARG 24 1HD ARG 24 92.251 58.480 47.221 573 2HD ARG 24 2HD ARG 24 92.117 58.380 45.454 574 HE ARG 24 HE ARG 24 90.745 56.178 46.103 575 1HH1 ARG 24 1HH1 ARG 24 90.589 57.152 48.965 576 2HH1 ARG 24 2HH1 ARG 24 89.061 57.967 48.971 577 1HH2 ARG 24 1HH2 ARG 24 88.844 58.143 45.514 578 2HH2 ARG 24 2HH2 ARG 24 88.072 58.527 47.015 579 H GLN 25 H GLN 25 96.804 55.876 46.670 580 HA GLN 25 HA GLN 25 96.205 53.336 45.565 581 1HB GLN 25 1HB GLN 25 98.602 55.064 45.986 582 2HB GLN 25 2HB GLN 25 98.895 53.388 45.516 583 1HG GLN 25 1HG GLN 25 98.636 54.245 43.408 584 2HG GLN 25 2HG GLN 25 96.927 54.004 43.769 585 1HE2 GLN 25 2HE2 GLN 25 97.586 56.019 41.943 586 2HE2 GLN 25 1HE2 GLN 25 97.340 57.542 42.653 587 H GLN 26 H GLN 26 98.108 54.166 48.467 588 HA GLN 26 HA GLN 26 98.830 52.808 50.263 589 1HB GLN 26 1HB GLN 26 96.110 52.354 49.617 590 2HB GLN 26 2HB GLN 26 96.803 50.768 49.959 591 1HG GLN 26 1HG GLN 26 97.097 53.189 51.761 592 2HG GLN 26 2HG GLN 26 95.918 51.899 52.006 593 1HE2 GLN 26 2HE2 GLN 26 96.789 50.889 53.873 594 2HE2 GLN 26 1HE2 GLN 26 98.346 50.217 53.937 595 HA PRO 27 HA PRO 27 100.308 49.603 47.097 596 1HB PRO 27 1HB PRO 27 102.820 50.609 46.667 597 2HB PRO 27 2HB PRO 27 101.416 51.055 45.675 598 1HG PRO 27 1HG PRO 27 102.699 52.541 47.915 599 2HG PRO 27 2HG PRO 27 102.041 53.149 46.388 600 1HD PRO 27 1HD PRO 27 100.711 53.327 48.749 601 2HD PRO 27 2HD PRO 27 99.889 53.194 47.179 602 HA PRO 28 HA PRO 28 102.436 47.612 50.406 603 1HB PRO 28 1HB PRO 28 103.879 45.722 49.047 604 2HB PRO 28 2HB PRO 28 102.123 45.610 49.286 605 1HG PRO 28 1HG PRO 28 103.654 46.510 46.896 606 2HG PRO 28 2HG PRO 28 102.185 45.526 46.990 607 1HD PRO 28 1HD PRO 28 102.164 48.171 46.359 608 2HD PRO 28 2HD PRO 28 100.814 47.353 47.176 609 H ASP 29 H ASP 29 104.284 48.780 47.639 610 HA ASP 29 HA ASP 29 106.634 49.216 49.457 611 1HB ASP 29 1HB ASP 29 106.350 48.198 46.643 612 2HB ASP 29 2HB ASP 29 107.829 49.042 47.105 613 H LEU 30 H LEU 30 106.907 51.386 49.776 614 HA LEU 30 HA LEU 30 105.658 53.365 48.015 615 1HB LEU 30 1HB LEU 30 105.823 53.529 50.500 616 2HB LEU 30 2HB LEU 30 107.575 53.646 50.350 617 HG LEU 30 HG LEU 30 106.977 55.606 48.674 618 1HD1 LEU 30 1HD1 LEU 30 104.447 54.985 50.050 619 2HD1 LEU 30 2HD1 LEU 30 104.905 56.686 50.120 620 3HD1 LEU 30 3HD1 LEU 30 104.725 55.885 48.559 621 1HD2 LEU 30 1HD2 LEU 30 106.806 55.816 51.697 622 2HD2 LEU 30 2HD2 LEU 30 108.277 55.887 50.728 623 3HD2 LEU 30 3HD2 LEU 30 107.082 57.178 50.611 624 H VAL 31 H VAL 31 108.990 52.349 48.795 625 HA VAL 31 HA VAL 31 110.487 54.242 47.367 626 HB VAL 31 HB VAL 31 110.908 51.236 47.495 627 1HG1 VAL 31 1HG1 VAL 31 112.410 52.609 45.976 628 2HG1 VAL 31 2HG1 VAL 31 112.952 53.473 47.414 629 3HG1 VAL 31 3HG1 VAL 31 113.250 51.743 47.261 630 1HG2 VAL 31 1HG2 VAL 31 110.733 53.217 49.579 631 2HG2 VAL 31 2HG2 VAL 31 111.083 51.495 49.731 632 3HG2 VAL 31 3HG2 VAL 31 112.397 52.644 49.473 633 H ASP 32 H ASP 32 109.456 51.070 46.081 634 HA ASP 32 HA ASP 32 110.122 51.602 43.360 635 1HB ASP 32 1HB ASP 32 109.467 49.457 44.778 636 2HB ASP 32 2HB ASP 32 107.850 49.819 44.172 637 H PHE 33 H PHE 33 107.150 52.160 45.226 638 HA PHE 33 HA PHE 33 105.457 52.867 43.015 639 1HB PHE 33 1HB PHE 33 104.622 52.278 45.234 640 2HB PHE 33 2HB PHE 33 105.477 53.644 45.950 641 HD1 PHE 33 HD1 PHE 33 103.093 53.006 43.097 642 HD2 PHE 33 HD2 PHE 33 104.211 55.555 46.399 643 HE1 PHE 33 HE1 PHE 33 101.143 54.483 42.618 644 HE2 PHE 33 HE2 PHE 33 102.261 57.030 45.919 645 HZ PHE 33 HZ PHE 33 100.727 56.495 44.030 646 H ALA 34 H ALA 34 107.503 54.814 45.201 647 HA ALA 34 HA ALA 34 106.852 57.394 44.226 648 1HB ALA 34 1HB ALA 34 108.994 56.037 45.729 649 2HB ALA 34 2HB ALA 34 109.526 57.501 44.901 650 3HB ALA 34 3HB ALA 34 108.196 57.576 46.058 651 H VAL 35 H VAL 35 109.142 54.968 42.989 652 HA VAL 35 HA VAL 35 110.266 56.727 40.957 653 HB VAL 35 HB VAL 35 110.275 53.722 41.393 654 1HG1 VAL 35 1HG1 VAL 35 111.819 55.532 39.538 655 2HG1 VAL 35 2HG1 VAL 35 112.420 53.942 40.008 656 3HG1 VAL 35 3HG1 VAL 35 110.897 54.086 39.133 657 1HG2 VAL 35 1HG2 VAL 35 111.240 55.107 43.240 658 2HG2 VAL 35 2HG2 VAL 35 112.448 54.106 42.435 659 3HG2 VAL 35 3HG2 VAL 35 112.350 55.830 42.074 660 H GLU 36 H GLU 36 107.922 54.023 40.968 661 HA GLU 36 HA GLU 36 107.413 53.920 38.175 662 1HB GLU 36 1HB GLU 36 105.708 53.355 40.619 663 2HB GLU 36 2HB GLU 36 105.250 52.882 38.982 664 1HG GLU 36 1HG GLU 36 107.957 52.117 40.034 665 2HG GLU 36 2HG GLU 36 106.543 51.175 40.508 666 H TYR 37 H TYR 37 106.165 56.094 40.670 667 HA TYR 37 HA TYR 37 104.030 57.192 39.020 668 1HB TYR 37 1HB TYR 37 103.974 57.176 41.473 669 2HB TYR 37 2HB TYR 37 105.437 58.162 41.530 670 HD1 TYR 37 HD1 TYR 37 102.001 58.184 39.989 671 HD2 TYR 37 HD2 TYR 37 105.222 60.490 41.704 672 HE1 TYR 37 HE1 TYR 37 100.620 60.250 39.804 673 HE2 TYR 37 HE2 TYR 37 103.840 62.557 41.519 674 HH TYR 37 HH TYR 37 101.456 63.174 41.369 675 H PHE 38 H PHE 38 107.090 58.632 40.229 676 HA PHE 38 HA PHE 38 106.976 60.932 38.518 677 1HB PHE 38 1HB PHE 38 109.082 59.492 40.125 678 2HB PHE 38 2HB PHE 38 109.510 60.898 39.151 679 HD1 PHE 38 HD1 PHE 38 107.223 62.674 39.365 680 HD2 PHE 38 HD2 PHE 38 109.006 60.151 42.382 681 HE1 PHE 38 HE1 PHE 38 106.337 64.177 41.146 682 HE2 PHE 38 HE2 PHE 38 108.119 61.655 44.163 683 HZ PHE 38 HZ PHE 38 106.785 63.668 43.544 684 H THR 39 H THR 39 108.677 57.799 38.183 685 HA THR 39 HA THR 39 110.142 58.336 35.828 686 HB THR 39 HB THR 39 108.742 55.823 36.801 687 HG1 THR 39 HG1 THR 39 110.304 56.740 38.200 688 1HG2 THR 39 1HG2 THR 39 109.976 56.292 34.311 689 2HG2 THR 39 2HG2 THR 39 111.153 55.389 35.265 690 3HG2 THR 39 3HG2 THR 39 109.537 54.731 35.003 691 H ARG 40 H ARG 40 106.782 57.155 36.160 692 HA ARG 40 HA ARG 40 106.222 56.880 33.374 693 1HB ARG 40 1HB ARG 40 104.953 56.157 35.537 694 2HB ARG 40 2HB ARG 40 104.225 57.761 35.454 695 1HG ARG 40 1HG ARG 40 102.706 56.773 34.084 696 2HG ARG 40 2HG ARG 40 103.969 56.909 32.860 697 1HD ARG 40 1HD ARG 40 104.814 54.624 33.803 698 2HD ARG 40 2HD ARG 40 103.181 54.497 34.488 699 HE ARG 40 HE ARG 40 103.801 54.730 31.579 700 1HH1 ARG 40 1HH1 ARG 40 101.282 55.423 33.654 701 2HH1 ARG 40 2HH1 ARG 40 100.129 54.370 32.906 702 1HH2 ARG 40 1HH2 ARG 40 102.462 52.854 30.836 703 2HH2 ARG 40 2HH2 ARG 40 100.798 52.913 31.311 704 H LEU 41 H LEU 41 106.169 59.680 35.531 705 HA LEU 41 HA LEU 41 104.731 61.475 33.809 706 1HB LEU 41 1HB LEU 41 106.192 61.465 36.305 707 2HB LEU 41 2HB LEU 41 106.625 62.894 35.367 708 HG LEU 41 HG LEU 41 103.880 62.741 35.026 709 1HD1 LEU 41 1HD1 LEU 41 104.624 61.319 37.453 710 2HD1 LEU 41 2HD1 LEU 41 103.621 62.723 37.814 711 3HD1 LEU 41 3HD1 LEU 41 103.038 61.486 36.700 712 1HD2 LEU 41 1HD2 LEU 41 105.596 64.281 36.991 713 2HD2 LEU 41 2HD2 LEU 41 105.030 64.815 35.408 714 3HD2 LEU 41 3HD2 LEU 41 103.887 64.630 36.738 715 H ARG 42 H ARG 42 108.085 60.417 33.922 716 HA ARG 42 HA ARG 42 109.212 62.521 32.304 717 1HB ARG 42 1HB ARG 42 109.933 59.911 33.449 718 2HB ARG 42 2HB ARG 42 110.747 60.248 31.922 719 1HG ARG 42 1HG ARG 42 110.775 62.644 33.482 720 2HG ARG 42 2HG ARG 42 111.339 61.319 34.502 721 1HD ARG 42 1HD ARG 42 112.398 61.775 31.695 722 2HD ARG 42 2HD ARG 42 113.169 62.454 33.143 723 HE ARG 42 HE ARG 42 113.663 60.211 33.894 724 1HH1 ARG 42 1HH1 ARG 42 113.425 60.454 30.611 725 2HH1 ARG 42 2HH1 ARG 42 113.081 58.784 30.309 726 1HH2 ARG 42 1HH2 ARG 42 112.572 58.008 33.650 727 2HH2 ARG 42 2HH2 ARG 42 112.597 57.400 32.028 728 H GLU 43 H GLU 43 107.546 59.500 31.560 729 HA GLU 43 HA GLU 43 108.302 59.334 28.783 730 1HB GLU 43 1HB GLU 43 106.822 57.892 30.696 731 2HB GLU 43 2HB GLU 43 105.670 58.279 29.417 732 1HG GLU 43 1HG GLU 43 107.269 57.385 27.736 733 2HG GLU 43 2HG GLU 43 108.363 56.935 29.047 734 H ALA 44 H ALA 44 105.702 60.997 30.514 735 HA ALA 44 HA ALA 44 103.966 61.688 28.411 736 1HB ALA 44 1HB ALA 44 104.516 62.433 31.099 737 2HB ALA 44 2HB ALA 44 104.411 63.927 30.164 738 3HB ALA 44 3HB ALA 44 103.063 62.788 30.165 739 H ARG 45 H ARG 45 106.509 63.843 29.698 740 HA ARG 45 HA ARG 45 106.497 65.784 27.713 741 1HB ARG 45 1HB ARG 45 108.203 64.831 29.826 742 2HB ARG 45 2HB ARG 45 109.201 65.296 28.449 743 1HG ARG 45 1HG ARG 45 108.932 67.450 29.034 744 2HG ARG 45 2HG ARG 45 107.209 67.292 28.694 745 1HD ARG 45 1HD ARG 45 106.664 66.916 30.936 746 2HD ARG 45 2HD ARG 45 108.286 66.312 31.331 747 HE ARG 45 HE ARG 45 108.455 69.033 30.416 748 1HH1 ARG 45 1HH1 ARG 45 106.285 68.165 32.708 749 2HH1 ARG 45 2HH1 ARG 45 107.085 68.903 34.055 750 1HH2 ARG 45 1HH2 ARG 45 110.019 69.524 32.312 751 2HH2 ARG 45 2HH2 ARG 45 109.200 69.672 33.831 752 H ARG 46 H ARG 46 107.992 66.111 25.853 753 HA ARG 46 HA ARG 46 108.956 63.553 24.625 754 1HB ARG 46 1HB ARG 46 107.977 64.355 22.497 755 2HB ARG 46 2HB ARG 46 106.738 64.209 23.744 756 1HG ARG 46 1HG ARG 46 107.864 66.818 23.963 757 2HG ARG 46 2HG ARG 46 107.495 66.542 22.260 758 1HD ARG 46 1HD ARG 46 105.187 65.861 22.873 759 2HD ARG 46 2HD ARG 46 105.559 66.184 24.578 760 HE ARG 46 HE ARG 46 106.319 68.520 23.320 761 1HH1 ARG 46 1HH1 ARG 46 104.313 67.984 21.207 762 2HH1 ARG 46 2HH1 ARG 46 102.871 68.687 21.862 763 1HH2 ARG 46 1HH2 ARG 46 104.095 68.826 25.104 764 2HH2 ARG 46 2HH2 ARG 46 102.748 69.162 24.068 Start of MODEL 4 1 1H HIS 1 1H HIS 1 95.438 59.356 70.933 2 2H HIS 1 2H HIS 1 94.904 57.790 71.325 3 3H HIS 1 3H HIS 1 95.599 58.771 72.521 4 HA HIS 1 HA HIS 1 97.745 58.672 71.458 5 1HB HIS 1 1HB HIS 1 96.428 56.734 72.842 6 2HB HIS 1 2HB HIS 1 96.865 55.838 71.388 7 HD1 HIS 1 HD1 HIS 1 99.155 54.859 71.420 8 HD2 HIS 1 HD2 HIS 1 98.873 58.168 73.940 9 HE1 HIS 1 HE1 HIS 1 101.402 55.080 72.567 10 H MET 2 H MET 2 95.366 56.616 69.730 11 HA MET 2 HA MET 2 96.616 57.369 67.150 12 1HB MET 2 1HB MET 2 97.730 55.314 68.338 13 2HB MET 2 2HB MET 2 96.275 54.455 67.832 14 1HG MET 2 1HG MET 2 96.761 55.466 65.487 15 2HG MET 2 2HG MET 2 98.383 55.753 66.116 16 1HE MET 2 1HE MET 2 99.327 54.328 64.199 17 2HE MET 2 2HE MET 2 100.175 54.201 65.739 18 3HE MET 2 3HE MET 2 99.913 52.759 64.748 19 H GLY 3 H GLY 3 93.970 57.772 68.414 20 1HA GLY 3 1HA GLY 3 92.247 56.033 66.709 21 2HA GLY 3 2HA GLY 3 91.685 56.937 68.115 22 H HIS 4 H HIS 4 93.305 57.611 64.989 23 HA HIS 4 HA HIS 4 91.257 59.683 64.425 24 1HB HIS 4 1HB HIS 4 93.442 60.423 65.790 25 2HB HIS 4 2HB HIS 4 94.125 60.484 64.165 26 HD1 HIS 4 HD1 HIS 4 93.548 62.488 62.760 27 HD2 HIS 4 HD2 HIS 4 91.034 62.122 66.065 28 HE1 HIS 4 HE1 HIS 4 92.115 64.576 62.804 29 H ILE 5 H ILE 5 91.318 60.350 62.155 30 HA ILE 5 HA ILE 5 92.557 58.277 60.406 31 HB ILE 5 HB ILE 5 90.117 58.708 60.326 32 1HG1 ILE 5 1HG1 ILE 5 90.249 59.611 57.769 33 2HG1 ILE 5 2HG1 ILE 5 91.934 59.153 58.020 34 1HG2 ILE 5 1HG2 ILE 5 91.059 61.450 60.340 35 2HG2 ILE 5 2HG2 ILE 5 89.987 61.169 58.968 36 3HG2 ILE 5 3HG2 ILE 5 89.429 60.835 60.608 37 1HD1 ILE 5 1HD1 ILE 5 89.637 57.315 58.722 38 2HD1 ILE 5 2HD1 ILE 5 90.394 57.313 57.130 39 3HD1 ILE 5 3HD1 ILE 5 91.344 56.904 58.559 40 H GLN 6 H GLN 6 94.587 59.813 61.149 41 HA GLN 6 HA GLN 6 94.857 62.027 59.152 42 1HB GLN 6 1HB GLN 6 95.324 61.850 61.888 43 2HB GLN 6 2HB GLN 6 96.938 61.704 61.192 44 1HG GLN 6 1HG GLN 6 96.030 63.730 59.682 45 2HG GLN 6 2HG GLN 6 95.043 64.002 61.119 46 1HE2 GLN 6 2HE2 GLN 6 96.439 63.841 63.275 47 2HE2 GLN 6 1HE2 GLN 6 97.947 64.619 63.223 48 H ILE 7 H ILE 7 97.528 62.199 58.822 49 HA ILE 7 HA ILE 7 98.186 59.692 57.382 50 HB ILE 7 HB ILE 7 99.113 62.567 57.384 51 1HG1 ILE 7 1HG1 ILE 7 98.546 62.320 54.958 52 2HG1 ILE 7 2HG1 ILE 7 98.041 60.662 55.281 53 1HG2 ILE 7 1HG2 ILE 7 100.688 60.191 56.618 54 2HG2 ILE 7 2HG2 ILE 7 100.559 61.411 55.351 55 3HG2 ILE 7 3HG2 ILE 7 101.223 61.844 56.927 56 1HD1 ILE 7 1HD1 ILE 7 96.888 62.960 56.852 57 2HD1 ILE 7 2HD1 ILE 7 96.218 62.508 55.285 58 3HD1 ILE 7 3HD1 ILE 7 96.223 61.345 56.613 59 HA PRO 8 HA PRO 8 100.953 58.504 60.636 60 1HB PRO 8 1HB PRO 8 102.386 56.616 59.278 61 2HB PRO 8 2HB PRO 8 100.736 56.338 59.872 62 1HG PRO 8 1HG PRO 8 101.672 57.019 57.135 63 2HG PRO 8 2HG PRO 8 100.391 55.911 57.647 64 1HD PRO 8 1HD PRO 8 99.913 58.415 56.682 65 2HD PRO 8 2HD PRO 8 98.837 57.583 57.826 66 HA PRO 9 HA PRO 9 104.574 60.893 59.815 67 1HB PRO 9 1HB PRO 9 106.240 59.914 61.755 68 2HB PRO 9 2HB PRO 9 104.884 61.005 62.107 69 1HG PRO 9 1HG PRO 9 105.065 58.050 62.415 70 2HG PRO 9 2HG PRO 9 104.287 59.250 63.460 71 1HD PRO 9 1HD PRO 9 102.919 57.665 61.717 72 2HD PRO 9 2HD PRO 9 102.363 59.276 62.221 73 H GLY 10 H GLY 10 107.042 60.487 59.437 74 1HA GLY 10 1HA GLY 10 108.805 59.019 58.683 75 2HA GLY 10 2HA GLY 10 107.608 57.742 58.458 76 H LEU 11 H LEU 11 105.692 59.207 56.971 77 HA LEU 11 HA LEU 11 106.864 59.057 54.318 78 1HB LEU 11 1HB LEU 11 104.543 58.431 54.858 79 2HB LEU 11 2HB LEU 11 104.202 60.088 55.355 80 HG LEU 11 HG LEU 11 105.095 60.658 52.928 81 1HD1 LEU 11 1HD1 LEU 11 105.237 57.869 52.891 82 2HD1 LEU 11 2HD1 LEU 11 103.764 58.239 51.994 83 3HD1 LEU 11 3HD1 LEU 11 105.303 58.934 51.486 84 1HD2 LEU 11 1HD2 LEU 11 102.442 59.843 53.967 85 2HD2 LEU 11 2HD2 LEU 11 102.926 61.337 53.166 86 3HD2 LEU 11 3HD2 LEU 11 102.580 59.897 52.210 87 H THR 12 H THR 12 106.170 61.647 56.599 88 HA THR 12 HA THR 12 106.370 63.831 54.709 89 HB THR 12 HB THR 12 106.777 63.679 57.713 90 HG1 THR 12 HG1 THR 12 104.491 64.363 56.185 91 1HG2 THR 12 1HG2 THR 12 107.614 65.758 56.449 92 2HG2 THR 12 2HG2 THR 12 105.915 66.078 56.099 93 3HG2 THR 12 3HG2 THR 12 106.477 66.030 57.770 94 H GLU 13 H GLU 13 108.669 62.314 56.975 95 HA GLU 13 HA GLU 13 110.891 64.007 56.620 96 1HB GLU 13 1HB GLU 13 110.276 61.308 57.536 97 2HB GLU 13 2HB GLU 13 111.876 61.392 56.800 98 1HG GLU 13 1HG GLU 13 112.452 63.299 58.254 99 2HG GLU 13 2HG GLU 13 110.851 63.224 58.989 100 H LEU 14 H LEU 14 109.746 61.342 54.560 101 HA LEU 14 HA LEU 14 112.037 61.322 52.797 102 1HB LEU 14 1HB LEU 14 110.059 59.633 53.279 103 2HB LEU 14 2HB LEU 14 109.265 60.514 51.973 104 HG LEU 14 HG LEU 14 111.462 60.146 50.656 105 1HD1 LEU 14 1HD1 LEU 14 112.726 59.392 52.694 106 2HD1 LEU 14 2HD1 LEU 14 111.734 57.933 52.710 107 3HD1 LEU 14 3HD1 LEU 14 112.810 58.254 51.349 108 1HD2 LEU 14 1HD2 LEU 14 109.306 58.190 51.301 109 2HD2 LEU 14 2HD2 LEU 14 109.738 58.915 49.752 110 3HD2 LEU 14 3HD2 LEU 14 110.693 57.580 50.397 111 H LEU 15 H LEU 15 108.742 62.703 52.442 112 HA LEU 15 HA LEU 15 109.228 63.957 49.909 113 1HB LEU 15 1HB LEU 15 107.309 64.636 52.164 114 2HB LEU 15 2HB LEU 15 107.151 65.182 50.494 115 HG LEU 15 HG LEU 15 107.163 62.286 51.398 116 1HD1 LEU 15 1HD1 LEU 15 105.119 63.816 51.892 117 2HD1 LEU 15 2HD1 LEU 15 104.859 63.773 50.148 118 3HD1 LEU 15 3HD1 LEU 15 104.830 62.276 51.081 119 1HD2 LEU 15 1HD2 LEU 15 106.751 63.570 48.678 120 2HD2 LEU 15 2HD2 LEU 15 108.112 62.555 49.158 121 3HD2 LEU 15 3HD2 LEU 15 106.496 61.860 49.028 122 H GLN 16 H GLN 16 109.287 65.309 53.238 123 HA GLN 16 HA GLN 16 109.997 67.972 52.608 124 1HB GLN 16 1HB GLN 16 109.716 66.334 54.857 125 2HB GLN 16 2HB GLN 16 111.392 66.876 54.934 126 1HG GLN 16 1HG GLN 16 110.584 69.229 54.602 127 2HG GLN 16 2HG GLN 16 108.929 68.628 54.714 128 1HE2 GLN 16 2HE2 GLN 16 109.950 70.492 56.633 129 2HE2 GLN 16 1HE2 GLN 16 110.068 69.706 58.133 130 H GLY 17 H GLY 17 112.019 65.058 52.801 131 1HA GLY 17 1HA GLY 17 114.579 66.268 52.722 132 2HA GLY 17 2HA GLY 17 114.211 64.683 52.034 133 H TYR 18 H TYR 18 112.542 65.168 49.992 134 HA TYR 18 HA TYR 18 114.062 65.980 47.804 135 1HB TYR 18 1HB TYR 18 111.609 64.976 48.231 136 2HB TYR 18 2HB TYR 18 111.147 66.644 47.891 137 HD1 TYR 18 HD1 TYR 18 113.905 64.496 46.531 138 HD2 TYR 18 HD2 TYR 18 110.315 66.737 45.705 139 HE1 TYR 18 HE1 TYR 18 114.206 64.077 44.086 140 HE2 TYR 18 HE2 TYR 18 110.607 66.323 43.268 141 HH TYR 18 HH TYR 18 111.736 65.052 41.737 142 H THR 19 H THR 19 112.034 67.972 49.920 143 HA THR 19 HA THR 19 112.202 70.426 48.444 144 HB THR 19 HB THR 19 111.956 70.063 51.440 145 HG1 THR 19 HG1 THR 19 109.889 69.439 51.119 146 1HG2 THR 19 1HG2 THR 19 112.003 72.376 50.574 147 2HG2 THR 19 2HG2 THR 19 110.663 71.989 49.492 148 3HG2 THR 19 3HG2 THR 19 110.421 71.965 51.239 149 H VAL 20 H VAL 20 114.304 68.928 50.871 150 HA VAL 20 HA VAL 20 115.989 71.303 51.194 151 HB VAL 20 HB VAL 20 116.347 68.394 51.986 152 1HG1 VAL 20 1HG1 VAL 20 118.250 70.362 51.998 153 2HG1 VAL 20 2HG1 VAL 20 117.539 70.560 53.599 154 3HG1 VAL 20 3HG1 VAL 20 118.221 69.005 53.124 155 1HG2 VAL 20 1HG2 VAL 20 115.086 70.770 53.381 156 2HG2 VAL 20 2HG2 VAL 20 114.320 69.234 52.974 157 3HG2 VAL 20 3HG2 VAL 20 115.559 69.297 54.228 158 H GLU 21 H GLU 21 115.994 68.414 49.184 159 HA GLU 21 HA GLU 21 118.799 68.706 48.359 160 1HB GLU 21 1HB GLU 21 116.744 67.168 46.791 161 2HB GLU 21 2HB GLU 21 118.415 66.743 47.140 162 1HG GLU 21 1HG GLU 21 117.254 66.809 49.655 163 2HG GLU 21 2HG GLU 21 115.978 66.133 48.640 164 H VAL 22 H VAL 22 115.680 68.967 46.666 165 HA VAL 22 HA VAL 22 116.619 70.095 44.255 166 HB VAL 22 HB VAL 22 114.005 70.617 45.708 167 1HG1 VAL 22 1HG1 VAL 22 114.854 71.738 43.408 168 2HG1 VAL 22 2HG1 VAL 22 114.188 70.235 42.773 169 3HG1 VAL 22 3HG1 VAL 22 113.164 71.328 43.705 170 1HG2 VAL 22 1HG2 VAL 22 115.146 68.146 44.945 171 2HG2 VAL 22 2HG2 VAL 22 113.473 68.441 45.419 172 3HG2 VAL 22 3HG2 VAL 22 113.934 68.516 43.718 173 H LEU 23 H LEU 23 115.905 71.627 47.366 174 HA LEU 23 HA LEU 23 116.033 74.356 46.362 175 1HB LEU 23 1HB LEU 23 114.807 73.689 48.386 176 2HB LEU 23 2HB LEU 23 116.311 73.145 49.132 177 HG LEU 23 HG LEU 23 117.194 75.495 48.862 178 1HD1 LEU 23 1HD1 LEU 23 115.609 76.163 47.067 179 2HD1 LEU 23 2HD1 LEU 23 114.286 76.083 48.230 180 3HD1 LEU 23 3HD1 LEU 23 115.567 77.279 48.433 181 1HD2 LEU 23 1HD2 LEU 23 115.000 74.605 50.640 182 2HD2 LEU 23 2HD2 LEU 23 116.578 75.278 51.051 183 3HD2 LEU 23 3HD2 LEU 23 115.256 76.349 50.584 184 H ARG 24 H ARG 24 118.365 72.042 47.670 185 HA ARG 24 HA ARG 24 120.494 74.117 47.741 186 1HB ARG 24 1HB ARG 24 119.829 71.717 49.133 187 2HB ARG 24 2HB ARG 24 121.384 71.456 48.342 188 1HG ARG 24 1HG ARG 24 121.867 72.424 50.484 189 2HG ARG 24 2HG ARG 24 122.113 73.699 49.289 190 1HD ARG 24 1HD ARG 24 120.151 74.832 49.897 191 2HD ARG 24 2HD ARG 24 119.421 73.378 50.611 192 HE ARG 24 HE ARG 24 121.035 73.570 52.472 193 1HH1 ARG 24 1HH1 ARG 24 122.532 75.567 50.414 194 2HH1 ARG 24 2HH1 ARG 24 122.510 76.988 51.403 195 1HH2 ARG 24 1HH2 ARG 24 120.263 75.678 53.698 196 2HH2 ARG 24 2HH2 ARG 24 121.224 77.052 53.261 197 H GLN 25 H GLN 25 119.982 70.872 46.280 198 HA GLN 25 HA GLN 25 122.288 71.070 44.550 199 1HB GLN 25 1HB GLN 25 121.501 68.927 45.244 200 2HB GLN 25 2HB GLN 25 119.841 69.307 44.793 201 1HG GLN 25 1HG GLN 25 120.169 68.633 42.674 202 2HG GLN 25 2HG GLN 25 121.658 69.564 42.536 203 1HE2 GLN 25 2HE2 GLN 25 123.498 68.465 44.089 204 2HE2 GLN 25 1HE2 GLN 25 123.665 66.791 43.860 205 H GLN 26 H GLN 26 118.831 71.773 44.203 206 HA GLN 26 HA GLN 26 117.635 72.804 42.441 207 1HB GLN 26 1HB GLN 26 120.095 74.140 43.002 208 2HB GLN 26 2HB GLN 26 119.839 74.210 41.258 209 1HG GLN 26 1HG GLN 26 117.321 74.751 42.194 210 2HG GLN 26 2HG GLN 26 118.327 75.508 43.430 211 1HE2 GLN 26 2HE2 GLN 26 120.529 76.365 41.872 212 2HE2 GLN 26 1HE2 GLN 26 120.000 77.524 40.750 213 HA PRO 27 HA PRO 27 119.487 69.802 39.387 214 1HB PRO 27 1HB PRO 27 117.257 68.240 39.112 215 2HB PRO 27 2HB PRO 27 118.497 67.948 40.349 216 1HG PRO 27 1HG PRO 27 115.842 69.271 40.607 217 2HG PRO 27 2HG PRO 27 116.671 68.173 41.723 218 1HD PRO 27 1HD PRO 27 116.585 70.875 42.063 219 2HD PRO 27 2HD PRO 27 117.911 69.853 42.661 220 HA PRO 28 HA PRO 28 117.531 71.713 35.939 221 1HB PRO 28 1HB PRO 28 117.370 69.712 34.075 222 2HB PRO 28 2HB PRO 28 118.898 70.501 34.519 223 1HG PRO 28 1HG PRO 28 117.787 67.888 35.424 224 2HG PRO 28 2HG PRO 28 119.451 68.320 34.997 225 1HD PRO 28 1HD PRO 28 118.601 68.109 37.563 226 2HD PRO 28 2HD PRO 28 119.885 69.231 37.060 227 H ASP 29 H ASP 29 116.132 68.553 36.792 228 HA ASP 29 HA ASP 29 113.413 69.729 36.477 229 1HB ASP 29 1HB ASP 29 114.460 68.401 34.425 230 2HB ASP 29 2HB ASP 29 113.976 66.997 35.377 231 H LEU 30 H LEU 30 111.869 68.715 37.852 232 HA LEU 30 HA LEU 30 112.999 67.202 40.106 233 1HB LEU 30 1HB LEU 30 110.156 68.054 39.456 234 2HB LEU 30 2HB LEU 30 110.761 67.563 41.039 235 HG LEU 30 HG LEU 30 112.398 69.675 39.885 236 1HD1 LEU 30 1HD1 LEU 30 109.995 70.084 38.939 237 2HD1 LEU 30 2HD1 LEU 30 109.604 70.538 40.597 238 3HD1 LEU 30 3HD1 LEU 30 110.844 71.424 39.710 239 1HD2 LEU 30 1HD2 LEU 30 110.805 69.229 42.416 240 2HD2 LEU 30 2HD2 LEU 30 112.556 69.206 42.213 241 3HD2 LEU 30 3HD2 LEU 30 111.677 70.733 42.120 242 H VAL 31 H VAL 31 110.657 66.624 37.476 243 HA VAL 31 HA VAL 31 109.707 64.070 38.176 244 HB VAL 31 HB VAL 31 110.522 65.093 35.433 245 1HG1 VAL 31 1HG1 VAL 31 108.411 63.101 36.327 246 2HG1 VAL 31 2HG1 VAL 31 108.636 63.665 34.670 247 3HG1 VAL 31 3HG1 VAL 31 109.897 62.717 35.459 248 1HG2 VAL 31 1HG2 VAL 31 108.731 66.222 37.302 249 2HG2 VAL 31 2HG2 VAL 31 108.864 66.621 35.590 250 3HG2 VAL 31 3HG2 VAL 31 107.720 65.389 36.122 251 H ASP 32 H ASP 32 112.392 64.660 35.890 252 HA ASP 32 HA ASP 32 113.376 61.994 35.848 253 1HB ASP 32 1HB ASP 32 113.831 64.337 34.554 254 2HB ASP 32 2HB ASP 32 115.269 64.271 35.575 255 H PHE 33 H PHE 33 114.215 64.766 37.927 256 HA PHE 33 HA PHE 33 116.408 63.552 39.306 257 1HB PHE 33 1HB PHE 33 115.880 65.951 39.339 258 2HB PHE 33 2HB PHE 33 114.356 65.620 40.162 259 HD1 PHE 33 HD1 PHE 33 117.905 64.432 40.610 260 HD2 PHE 33 HD2 PHE 33 114.423 66.238 42.417 261 HE1 PHE 33 HE1 PHE 33 119.074 64.485 42.811 262 HE2 PHE 33 HE2 PHE 33 115.593 66.289 44.618 263 HZ PHE 33 HZ PHE 33 117.919 65.414 44.815 264 H ALA 34 H ALA 34 112.958 63.820 40.227 265 HA ALA 34 HA ALA 34 113.043 62.346 42.633 266 1HB ALA 34 1HB ALA 34 111.089 63.180 40.589 267 2HB ALA 34 2HB ALA 34 110.603 61.745 41.493 268 3HB ALA 34 3HB ALA 34 110.966 63.244 42.348 269 H VAL 35 H VAL 35 112.912 61.224 39.274 270 HA VAL 35 HA VAL 35 112.435 58.438 39.934 271 HB VAL 35 HB VAL 35 113.435 59.934 37.491 272 1HG1 VAL 35 1HG1 VAL 35 112.786 57.030 37.942 273 2HG1 VAL 35 2HG1 VAL 35 112.606 57.763 36.349 274 3HG1 VAL 35 3HG1 VAL 35 114.184 57.734 37.134 275 1HG2 VAL 35 1HG2 VAL 35 111.059 60.285 38.451 276 2HG2 VAL 35 2HG2 VAL 35 111.187 59.866 36.743 277 3HG2 VAL 35 3HG2 VAL 35 110.744 58.632 37.923 278 H GLU 36 H GLU 36 115.321 60.256 38.813 279 HA GLU 36 HA GLU 36 117.165 58.080 38.961 280 1HB GLU 36 1HB GLU 36 117.561 61.070 39.322 281 2HB GLU 36 2HB GLU 36 118.828 59.914 38.907 282 1HG GLU 36 1HG GLU 36 116.525 59.664 37.139 283 2HG GLU 36 2HG GLU 36 117.201 61.293 37.103 284 H TYR 37 H TYR 37 115.922 60.272 41.424 285 HA TYR 37 HA TYR 37 117.942 59.612 43.424 286 1HB TYR 37 1HB TYR 37 116.663 61.742 43.300 287 2HB TYR 37 2HB TYR 37 115.179 60.854 43.642 288 HD1 TYR 37 HD1 TYR 37 118.679 60.822 45.052 289 HD2 TYR 37 HD2 TYR 37 114.445 61.149 45.837 290 HE1 TYR 37 HE1 TYR 37 119.144 60.979 47.495 291 HE2 TYR 37 HE2 TYR 37 114.911 61.307 48.281 292 HH TYR 37 HH TYR 37 118.167 60.829 49.572 293 H PHE 38 H PHE 38 114.406 58.991 43.392 294 HA PHE 38 HA PHE 38 114.405 57.058 45.468 295 1HB PHE 38 1HB PHE 38 112.634 57.613 43.081 296 2HB PHE 38 2HB PHE 38 112.215 56.398 44.289 297 HD1 PHE 38 HD1 PHE 38 113.071 57.546 46.817 298 HD2 PHE 38 HD2 PHE 38 111.254 59.490 43.416 299 HE1 PHE 38 HE1 PHE 38 112.187 59.334 48.311 300 HE2 PHE 38 HE2 PHE 38 110.371 61.279 44.911 301 HZ PHE 38 HZ PHE 38 110.837 61.201 47.358 302 H THR 39 H THR 39 114.649 56.603 41.929 303 HA THR 39 HA THR 39 114.618 53.770 41.866 304 HB THR 39 HB THR 39 116.090 55.813 40.171 305 HG1 THR 39 HG1 THR 39 114.234 55.590 38.876 306 1HG2 THR 39 1HG2 THR 39 115.718 52.860 39.935 307 2HG2 THR 39 2HG2 THR 39 115.605 53.823 38.461 308 3HG2 THR 39 3HG2 THR 39 117.077 53.865 39.431 309 H ARG 40 H ARG 40 117.406 55.994 42.182 310 HA ARG 40 HA ARG 40 119.371 53.876 42.391 311 1HB ARG 40 1HB ARG 40 119.506 56.433 41.774 312 2HB ARG 40 2HB ARG 40 119.694 56.647 43.514 313 1HG ARG 40 1HG ARG 40 121.805 55.831 43.495 314 2HG ARG 40 2HG ARG 40 121.364 54.490 42.436 315 1HD ARG 40 1HD ARG 40 121.222 56.370 40.586 316 2HD ARG 40 2HD ARG 40 122.290 57.252 41.696 317 HE ARG 40 HE ARG 40 122.942 54.701 40.338 318 1HH1 ARG 40 1HH2 ARG 40 124.634 57.250 40.432 319 2HH1 ARG 40 2HH2 ARG 40 125.885 56.773 41.530 320 1HH2 ARG 40 1HH1 ARG 40 124.152 54.019 42.725 321 2HH2 ARG 40 2HH1 ARG 40 125.613 54.944 42.828 322 H LEU 41 H LEU 41 117.206 55.406 44.655 323 HA LEU 41 HA LEU 41 118.719 54.738 47.058 324 1HB LEU 41 1HB LEU 41 116.697 56.441 46.397 325 2HB LEU 41 2HB LEU 41 115.783 55.141 47.164 326 HG LEU 41 HG LEU 41 118.245 56.331 48.447 327 1HD1 LEU 41 1HD1 LEU 41 116.361 58.023 47.946 328 2HD1 LEU 41 2HD1 LEU 41 115.407 57.114 49.118 329 3HD1 LEU 41 3HD1 LEU 41 116.907 57.897 49.619 330 1HD2 LEU 41 1HD2 LEU 41 115.909 54.635 49.357 331 2HD2 LEU 41 2HD2 LEU 41 117.627 54.237 49.416 332 3HD2 LEU 41 3HD2 LEU 41 116.969 55.465 50.498 333 H ARG 42 H ARG 42 116.518 53.038 44.965 334 HA ARG 42 HA ARG 42 115.662 51.072 46.940 335 1HB ARG 42 1HB ARG 42 114.214 51.608 45.113 336 2HB ARG 42 2HB ARG 42 115.512 51.417 43.936 337 1HG ARG 42 1HG ARG 42 115.072 49.229 43.721 338 2HG ARG 42 2HG ARG 42 115.187 48.990 45.463 339 1HD ARG 42 1HD ARG 42 112.821 49.903 45.649 340 2HD ARG 42 2HD ARG 42 112.734 49.814 43.878 341 HE ARG 42 HE ARG 42 113.318 47.356 44.137 342 1HH1 ARG 42 1HH1 ARG 42 113.530 48.212 47.233 343 2HH1 ARG 42 2HH1 ARG 42 112.208 47.270 47.838 344 1HH2 ARG 42 1HH2 ARG 42 110.940 46.544 44.692 345 2HH2 ARG 42 2HH2 ARG 42 110.741 46.327 46.400 346 H GLU 43 H GLU 43 118.364 51.481 44.765 347 HA GLU 43 HA GLU 43 119.140 48.664 44.697 348 1HB GLU 43 1HB GLU 43 120.178 51.322 43.795 349 2HB GLU 43 2HB GLU 43 121.327 49.989 43.903 350 1HG GLU 43 1HG GLU 43 118.885 49.077 42.661 351 2HG GLU 43 2HG GLU 43 119.499 50.496 41.811 352 H ALA 44 H ALA 44 119.593 51.324 46.887 353 HA ALA 44 HA ALA 44 121.994 50.170 48.163 354 1HB ALA 44 1HB ALA 44 120.735 52.686 47.920 355 2HB ALA 44 2HB ALA 44 120.622 52.256 49.630 356 3HB ALA 44 3HB ALA 44 122.197 52.320 48.835 357 H ARG 45 H ARG 45 118.710 51.056 49.272 358 HA ARG 45 HA ARG 45 118.714 49.915 51.794 359 1HB ARG 45 1HB ARG 45 116.927 51.250 50.572 360 2HB ARG 45 2HB ARG 45 116.424 49.733 49.822 361 1HG ARG 45 1HG ARG 45 115.025 49.836 51.695 362 2HG ARG 45 2HG ARG 45 116.358 48.842 52.283 363 1HD ARG 45 1HD ARG 45 117.415 50.855 53.281 364 2HD ARG 45 2HD ARG 45 116.042 51.833 52.727 365 HE ARG 45 HE ARG 45 115.527 49.444 54.436 366 1HH1 ARG 45 1HH1 ARG 45 113.418 51.462 53.572 367 2HH1 ARG 45 2HH1 ARG 45 113.257 52.416 55.008 368 1HH2 ARG 45 1HH2 ARG 45 116.207 51.265 56.422 369 2HH2 ARG 45 2HH2 ARG 45 114.837 52.305 56.622 370 H ARG 46 H ARG 46 118.535 48.241 48.705 371 HA ARG 46 HA ARG 46 118.771 45.645 50.151 372 1HB ARG 46 1HB ARG 46 116.570 46.608 48.364 373 2HB ARG 46 2HB ARG 46 117.029 44.908 48.265 374 1HG ARG 46 1HG ARG 46 116.481 46.247 50.916 375 2HG ARG 46 2HG ARG 46 115.188 45.523 49.960 376 1HD ARG 46 1HD ARG 46 115.736 43.516 50.860 377 2HD ARG 46 2HD ARG 46 117.298 43.619 50.022 378 HE ARG 46 HE ARG 46 117.989 45.078 52.062 379 1HH1 ARG 46 1HH2 ARG 46 117.437 41.913 52.190 380 2HH1 ARG 46 2HH2 ARG 46 116.884 41.824 53.828 381 1HH2 ARG 46 1HH1 ARG 46 116.506 45.255 54.166 382 2HH2 ARG 46 2HH1 ARG 46 116.360 43.716 54.947 383 1H HIS 1 1H HIS 1 106.297 90.777 49.007 384 2H HIS 1 2H HIS 1 107.201 91.739 47.936 385 3H HIS 1 3H HIS 1 105.631 92.207 48.375 386 HA HIS 1 HA HIS 1 104.674 90.345 47.206 387 1HB HIS 1 1HB HIS 1 105.805 92.606 46.195 388 2HB HIS 1 2HB HIS 1 106.651 91.381 45.249 389 HD1 HIS 1 HD1 HIS 1 105.432 90.611 43.220 390 HD2 HIS 1 HD2 HIS 1 102.811 92.082 46.108 391 HE1 HIS 1 HE1 HIS 1 103.116 90.515 42.200 392 H MET 2 H MET 2 108.229 90.454 46.746 393 HA MET 2 HA MET 2 108.312 87.491 46.821 394 1HB MET 2 1HB MET 2 107.839 88.507 44.450 395 2HB MET 2 2HB MET 2 109.547 88.947 44.491 396 1HG MET 2 1HG MET 2 109.940 86.469 45.174 397 2HG MET 2 2HG MET 2 108.311 86.200 44.553 398 1HE MET 2 1HE MET 2 109.277 84.482 42.907 399 2HE MET 2 2HE MET 2 107.928 85.443 42.308 400 3HE MET 2 3HE MET 2 109.295 85.070 41.247 401 H GLY 3 H GLY 3 109.382 89.679 48.501 402 1HA GLY 3 1HA GLY 3 112.308 89.431 47.972 403 2HA GLY 3 2HA GLY 3 111.569 90.668 48.990 404 H HIS 4 H HIS 4 111.706 87.089 48.822 405 HA HIS 4 HA HIS 4 112.522 87.027 51.674 406 1HB HIS 4 1HB HIS 4 109.896 87.022 51.125 407 2HB HIS 4 2HB HIS 4 110.213 85.306 50.871 408 HD1 HIS 4 HD1 HIS 4 110.432 83.871 52.926 409 HD2 HIS 4 HD2 HIS 4 110.713 87.933 53.821 410 HE1 HIS 4 HE1 HIS 4 110.488 84.046 55.451 411 H ILE 5 H ILE 5 113.339 84.892 52.283 412 HA ILE 5 HA ILE 5 114.301 83.339 49.926 413 HB ILE 5 HB ILE 5 115.905 84.273 51.570 414 1HG1 ILE 5 1HG1 ILE 5 116.713 81.801 52.350 415 2HG1 ILE 5 2HG1 ILE 5 115.579 81.365 51.071 416 1HG2 ILE 5 1HG2 ILE 5 113.955 83.179 53.416 417 2HG2 ILE 5 2HG2 ILE 5 115.568 82.565 53.777 418 3HG2 ILE 5 3HG2 ILE 5 115.277 84.303 53.733 419 1HD1 ILE 5 1HD1 ILE 5 117.720 83.464 50.683 420 2HD1 ILE 5 2HD1 ILE 5 117.998 81.756 50.337 421 3HD1 ILE 5 3HD1 ILE 5 116.765 82.648 49.446 422 H GLN 6 H GLN 6 111.743 82.676 50.155 423 HA GLN 6 HA GLN 6 111.560 80.300 51.968 424 1HB GLN 6 1HB GLN 6 109.890 82.470 51.485 425 2HB GLN 6 2HB GLN 6 109.154 81.174 50.541 426 1HG GLN 6 1HG GLN 6 109.655 79.797 52.789 427 2HG GLN 6 2HG GLN 6 109.502 81.408 53.493 428 1HE2 GLN 6 2HE2 GLN 6 107.456 82.661 52.557 429 2HE2 GLN 6 1HE2 GLN 6 106.035 81.740 52.436 430 H ILE 7 H ILE 7 109.721 78.762 50.730 431 HA ILE 7 HA ILE 7 111.147 77.846 48.297 432 HB ILE 7 HB ILE 7 109.153 76.719 50.266 433 1HG1 ILE 7 1HG1 ILE 7 110.930 74.960 50.424 434 2HG1 ILE 7 2HG1 ILE 7 111.889 75.877 49.262 435 1HG2 ILE 7 1HG2 ILE 7 109.500 75.932 47.442 436 2HG2 ILE 7 2HG2 ILE 7 109.686 74.606 48.589 437 3HG2 ILE 7 3HG2 ILE 7 108.195 75.547 48.565 438 1HD1 ILE 7 1HD1 ILE 7 110.853 77.179 51.775 439 2HD1 ILE 7 2HD1 ILE 7 112.355 76.255 51.787 440 3HD1 ILE 7 3HD1 ILE 7 112.202 77.674 50.750 441 HA PRO 8 HA PRO 8 108.018 79.667 45.735 442 1HB PRO 8 1HB PRO 8 108.554 78.316 43.422 443 2HB PRO 8 2HB PRO 8 109.569 79.641 44.027 444 1HG PRO 8 1HG PRO 8 109.987 76.705 44.212 445 2HG PRO 8 2HG PRO 8 111.160 77.995 43.915 446 1HD PRO 8 1HD PRO 8 110.851 76.777 46.331 447 2HD PRO 8 2HD PRO 8 111.420 78.451 46.143 448 HA PRO 9 HA PRO 9 104.725 76.731 45.913 449 1HB PRO 9 1HB PRO 9 102.971 77.870 44.148 450 2HB PRO 9 2HB PRO 9 103.269 78.523 45.771 451 1HG PRO 9 1HG PRO 9 104.340 79.424 43.145 452 2HG PRO 9 2HG PRO 9 103.808 80.382 44.535 453 1HD PRO 9 1HD PRO 9 106.427 79.901 43.956 454 2HD PRO 9 2HD PRO 9 105.824 80.192 45.604 455 H GLY 10 H GLY 10 103.323 75.384 44.292 456 1HA GLY 10 1HA GLY 10 103.116 74.295 42.148 457 2HA GLY 10 2HA GLY 10 104.683 74.963 41.687 458 H LEU 11 H LEU 11 106.155 74.199 43.991 459 HA LEU 11 HA LEU 11 106.750 71.433 43.328 460 1HB LEU 11 1HB LEU 11 108.436 73.104 43.987 461 2HB LEU 11 2HB LEU 11 107.665 73.274 45.563 462 HG LEU 11 HG LEU 11 108.009 70.651 45.659 463 1HD1 LEU 11 1HD1 LEU 11 109.210 71.244 43.207 464 2HD1 LEU 11 2HD1 LEU 11 110.566 71.055 44.318 465 3HD1 LEU 11 3HD1 LEU 11 109.397 69.749 44.124 466 1HD2 LEU 11 1HD2 LEU 11 109.764 72.948 46.312 467 2HD2 LEU 11 2HD2 LEU 11 109.141 71.676 47.361 468 3HD2 LEU 11 3HD2 LEU 11 110.547 71.369 46.343 469 H THR 12 H THR 12 104.883 73.062 45.826 470 HA THR 12 HA THR 12 104.707 70.817 47.645 471 HB THR 12 HB THR 12 102.935 73.242 47.203 472 HG1 THR 12 HG1 THR 12 105.058 72.805 49.030 473 1HG2 THR 12 1HG2 THR 12 102.025 71.271 48.582 474 2HG2 THR 12 2HG2 THR 12 103.284 71.665 49.751 475 3HG2 THR 12 3HG2 THR 12 102.040 72.852 49.363 476 H GLU 13 H GLU 13 102.576 72.086 45.082 477 HA GLU 13 HA GLU 13 100.376 70.355 45.375 478 1HB GLU 13 1HB GLU 13 101.593 72.083 43.368 479 2HB GLU 13 2HB GLU 13 100.778 70.705 42.627 480 1HG GLU 13 1HG GLU 13 98.733 71.217 43.905 481 2HG GLU 13 2HG GLU 13 99.543 72.593 44.654 482 H LEU 14 H LEU 14 103.496 69.767 43.770 483 HA LEU 14 HA LEU 14 102.758 67.221 42.612 484 1HB LEU 14 1HB LEU 14 104.719 68.947 42.186 485 2HB LEU 14 2HB LEU 14 105.559 67.972 43.393 486 HG LEU 14 HG LEU 14 104.820 65.938 41.976 487 1HD1 LEU 14 1HD1 LEU 14 103.203 67.294 40.606 488 2HD1 LEU 14 2HD1 LEU 14 104.584 68.116 39.880 489 3HD1 LEU 14 3HD1 LEU 14 104.362 66.384 39.636 490 1HD2 LEU 14 1HD2 LEU 14 106.945 67.951 41.410 491 2HD2 LEU 14 2HD2 LEU 14 107.099 66.251 41.855 492 3HD2 LEU 14 3HD2 LEU 14 106.692 66.697 40.197 493 H LEU 15 H LEU 15 104.682 68.074 45.519 494 HA LEU 15 HA LEU 15 105.058 65.376 46.418 495 1HB LEU 15 1HB LEU 15 104.968 68.013 47.923 496 2HB LEU 15 2HB LEU 15 105.692 66.522 48.527 497 HG LEU 15 HG LEU 15 106.551 67.999 46.020 498 1HD1 LEU 15 1HD1 LEU 15 107.071 68.978 48.373 499 2HD1 LEU 15 2HD1 LEU 15 108.177 67.613 48.526 500 3HD1 LEU 15 3HD1 LEU 15 108.405 68.791 47.233 501 1HD2 LEU 15 1HD2 LEU 15 107.658 65.543 47.417 502 2HD2 LEU 15 2HD2 LEU 15 106.894 65.583 45.829 503 3HD2 LEU 15 3HD2 LEU 15 108.447 66.377 46.078 504 H GLN 16 H GLN 16 102.675 67.868 47.432 505 HA GLN 16 HA GLN 16 101.261 66.351 49.351 506 1HB GLN 16 1HB GLN 16 101.061 68.808 48.031 507 2HB GLN 16 2HB GLN 16 99.560 67.981 47.617 508 1HG GLN 16 1HG GLN 16 99.231 67.483 50.054 509 2HG GLN 16 2HG GLN 16 100.645 68.479 50.403 510 1HE2 GLN 16 2HE2 GLN 16 98.059 69.198 51.398 511 2HE2 GLN 16 1HE2 GLN 16 97.562 70.623 50.620 512 H GLY 17 H GLY 17 101.043 66.315 45.806 513 1HA GLY 17 1HA GLY 17 98.679 64.784 45.503 514 2HA GLY 17 2HA GLY 17 100.033 64.752 44.369 515 H TYR 18 H TYR 18 102.067 63.645 45.716 516 HA TYR 18 HA TYR 18 101.726 60.882 45.689 517 1HB TYR 18 1HB TYR 18 103.740 62.609 46.093 518 2HB TYR 18 2HB TYR 18 103.484 62.121 47.767 519 HD1 TYR 18 HD1 TYR 18 103.178 60.224 44.547 520 HD2 TYR 18 HD2 TYR 18 105.173 60.607 48.351 521 HE1 TYR 18 HE1 TYR 18 104.415 58.096 44.112 522 HE2 TYR 18 HE2 TYR 18 106.411 58.489 47.924 523 HH TYR 18 HH TYR 18 106.965 56.972 46.305 524 H THR 19 H THR 19 101.180 63.126 48.378 525 HA THR 19 HA THR 19 100.688 61.180 50.428 526 HB THR 19 HB THR 19 99.489 63.948 50.155 527 HG1 THR 19 HG1 THR 19 101.434 64.765 50.706 528 1HG2 THR 19 1HG2 THR 19 98.835 62.610 52.128 529 2HG2 THR 19 2HG2 THR 19 100.538 62.390 52.533 530 3HG2 THR 19 3HG2 THR 19 99.821 64.000 52.584 531 H VAL 20 H VAL 20 98.611 62.671 47.975 532 HA VAL 20 HA VAL 20 96.132 61.598 49.112 533 HB VAL 20 HB VAL 20 96.805 62.830 46.419 534 1HG1 VAL 20 1HG1 VAL 20 94.518 61.490 47.107 535 2HG1 VAL 20 2HG1 VAL 20 94.114 63.135 47.596 536 3HG1 VAL 20 3HG1 VAL 20 94.582 62.800 45.929 537 1HG2 VAL 20 1HG2 VAL 20 95.900 64.012 49.059 538 2HG2 VAL 20 2HG2 VAL 20 97.371 64.390 48.163 539 3HG2 VAL 20 3HG2 VAL 20 95.801 64.885 47.530 540 H GLU 21 H GLU 21 98.498 60.587 46.710 541 HA GLU 21 HA GLU 21 96.762 58.532 45.525 542 1HB GLU 21 1HB GLU 21 99.762 58.499 45.332 543 2HB GLU 21 2HB GLU 21 98.571 58.145 44.089 544 1HG GLU 21 1HG GLU 21 98.086 60.810 44.669 545 2HG GLU 21 2HG GLU 21 99.842 60.685 44.792 546 H VAL 22 H VAL 22 99.770 58.434 47.426 547 HA VAL 22 HA VAL 22 99.817 55.667 47.979 548 HB VAL 22 HB VAL 22 100.710 57.974 49.740 549 1HG1 VAL 22 1HG1 VAL 22 100.771 55.339 50.326 550 2HG1 VAL 22 2HG1 VAL 22 102.275 55.476 49.416 551 3HG1 VAL 22 3HG1 VAL 22 102.021 56.468 50.852 552 1HG2 VAL 22 1HG2 VAL 22 101.421 57.414 47.063 553 2HG2 VAL 22 2HG2 VAL 22 102.253 58.501 48.177 554 3HG2 VAL 22 3HG2 VAL 22 102.757 56.815 48.046 555 H LEU 23 H LEU 23 98.014 58.276 49.554 556 HA LEU 23 HA LEU 23 97.185 56.687 51.847 557 1HB LEU 23 1HB LEU 23 97.337 59.142 51.855 558 2HB LEU 23 2HB LEU 23 96.117 59.233 50.583 559 HG LEU 23 HG LEU 23 94.533 58.023 52.134 560 1HD1 LEU 23 1HD1 LEU 23 96.296 57.044 53.590 561 2HD1 LEU 23 2HD1 LEU 23 96.687 58.661 54.174 562 3HD1 LEU 23 3HD1 LEU 23 95.107 57.957 54.518 563 1HD2 LEU 23 1HD2 LEU 23 95.610 60.762 52.463 564 2HD2 LEU 23 2HD2 LEU 23 93.949 60.230 52.202 565 3HD2 LEU 23 3HD2 LEU 23 94.651 60.168 53.819 566 H ARG 24 H ARG 24 95.896 57.312 48.616 567 HA ARG 24 HA ARG 24 93.364 55.901 49.275 568 1HB ARG 24 1HB ARG 24 94.233 57.983 47.530 569 2HB ARG 24 2HB ARG 24 93.638 56.662 46.522 570 1HG ARG 24 1HG ARG 24 91.739 58.039 47.028 571 2HG ARG 24 2HG ARG 24 91.589 56.593 48.025 572 1HD ARG 24 1HD ARG 24 92.172 57.729 49.995 573 2HD ARG 24 2HD ARG 24 92.999 59.027 49.111 574 HE ARG 24 HE ARG 24 90.785 59.840 48.376 575 1HH1 ARG 24 1HH1 ARG 24 89.846 56.906 49.364 576 2HH1 ARG 24 2HH1 ARG 24 88.696 57.415 50.555 577 1HH2 ARG 24 1HH2 ARG 24 89.739 60.722 50.535 578 2HH2 ARG 24 2HH2 ARG 24 88.637 59.574 51.220 579 H GLN 25 H GLN 25 95.980 55.678 46.822 580 HA GLN 25 HA GLN 25 95.118 53.098 45.845 581 1HB GLN 25 1HB GLN 25 96.311 54.576 44.403 582 2HB GLN 25 2HB GLN 25 97.567 54.858 45.606 583 1HG GLN 25 1HG GLN 25 98.740 53.064 44.931 584 2HG GLN 25 2HG GLN 25 97.310 52.034 44.952 585 1HE2 GLN 25 2HE2 GLN 25 95.684 52.798 43.006 586 2HE2 GLN 25 1HE2 GLN 25 96.453 52.936 41.500 587 H GLN 26 H GLN 26 97.472 54.206 48.254 588 HA GLN 26 HA GLN 26 98.767 52.991 49.816 589 1HB GLN 26 1HB GLN 26 96.087 52.021 49.651 590 2HB GLN 26 2HB GLN 26 97.138 50.627 49.900 591 1HG GLN 26 1HG GLN 26 98.221 52.442 51.647 592 2HG GLN 26 2HG GLN 26 96.507 52.853 51.728 593 1HE2 GLN 26 2HE2 GLN 26 95.329 50.309 51.360 594 2HE2 GLN 26 1HE2 GLN 26 95.756 49.303 52.657 595 HA PRO 27 HA PRO 27 100.390 50.271 46.388 596 1HB PRO 27 1HB PRO 27 102.864 51.433 46.227 597 2HB PRO 27 2HB PRO 27 101.466 51.998 45.291 598 1HG PRO 27 1HG PRO 27 102.640 53.103 47.794 599 2HG PRO 27 2HG PRO 27 101.972 53.951 46.390 600 1HD PRO 27 1HD PRO 27 100.611 53.621 48.726 601 2HD PRO 27 2HD PRO 27 99.818 53.777 47.143 602 HA PRO 28 HA PRO 28 102.699 47.737 49.147 603 1HB PRO 28 1HB PRO 28 104.699 46.704 47.585 604 2HB PRO 28 2HB PRO 28 103.003 46.197 47.446 605 1HG PRO 28 1HG PRO 28 104.546 48.118 45.769 606 2HG PRO 28 2HG PRO 28 103.364 46.891 45.282 607 1HD PRO 28 1HD PRO 28 102.752 49.525 45.463 608 2HD PRO 28 2HD PRO 28 101.566 48.236 45.767 609 H ASP 29 H ASP 29 104.723 49.882 47.155 610 HA ASP 29 HA ASP 29 106.309 50.562 49.584 611 1HB ASP 29 1HB ASP 29 107.223 48.651 47.974 612 2HB ASP 29 2HB ASP 29 107.729 50.030 46.997 613 H LEU 30 H LEU 30 107.177 52.687 49.481 614 HA LEU 30 HA LEU 30 105.901 54.475 47.527 615 1HB LEU 30 1HB LEU 30 107.896 55.004 49.755 616 2HB LEU 30 2HB LEU 30 106.865 56.202 48.972 617 HG LEU 30 HG LEU 30 105.309 53.950 49.959 618 1HD1 LEU 30 1HD1 LEU 30 107.346 54.128 51.588 619 2HD1 LEU 30 2HD1 LEU 30 106.568 55.616 52.128 620 3HD1 LEU 30 3HD1 LEU 30 105.718 54.077 52.266 621 1HD2 LEU 30 1HD2 LEU 30 105.360 56.950 50.330 622 2HD2 LEU 30 2HD2 LEU 30 104.212 55.985 49.402 623 3HD2 LEU 30 3HD2 LEU 30 104.189 55.929 51.164 624 H VAL 31 H VAL 31 109.217 53.435 48.345 625 HA VAL 31 HA VAL 31 110.720 55.090 46.640 626 HB VAL 31 HB VAL 31 111.074 52.120 47.169 627 1HG1 VAL 31 1HG1 VAL 31 113.053 54.335 46.543 628 2HG1 VAL 31 2HG1 VAL 31 113.487 52.677 46.960 629 3HG1 VAL 31 3HG1 VAL 31 112.605 53.010 45.470 630 1HG2 VAL 31 1HG2 VAL 31 110.885 54.253 49.011 631 2HG2 VAL 31 2HG2 VAL 31 111.487 52.626 49.332 632 3HG2 VAL 31 3HG2 VAL 31 112.608 53.905 48.863 633 H ASP 32 H ASP 32 109.688 51.769 45.815 634 HA ASP 32 HA ASP 32 110.226 51.941 43.030 635 1HB ASP 32 1HB ASP 32 109.491 50.048 44.831 636 2HB ASP 32 2HB ASP 32 107.954 50.284 43.996 637 H PHE 33 H PHE 33 107.268 52.655 44.890 638 HA PHE 33 HA PHE 33 105.532 53.133 42.668 639 1HB PHE 33 1HB PHE 33 104.789 52.815 44.987 640 2HB PHE 33 2HB PHE 33 105.619 54.293 45.473 641 HD1 PHE 33 HD1 PHE 33 103.372 53.354 42.597 642 HD2 PHE 33 HD2 PHE 33 104.123 56.045 45.889 643 HE1 PHE 33 HE1 PHE 33 101.368 54.691 41.959 644 HE2 PHE 33 HE2 PHE 33 102.120 57.383 45.250 645 HZ PHE 33 HZ PHE 33 100.742 56.706 43.286 646 H ALA 34 H ALA 34 107.428 55.424 44.660 647 HA ALA 34 HA ALA 34 106.801 57.808 43.283 648 1HB ALA 34 1HB ALA 34 108.881 56.744 45.080 649 2HB ALA 34 2HB ALA 34 109.430 58.087 44.078 650 3HB ALA 34 3HB ALA 34 108.036 58.291 45.139 651 H VAL 35 H VAL 35 109.148 55.268 42.504 652 HA VAL 35 HA VAL 35 110.436 56.738 40.357 653 HB VAL 35 HB VAL 35 110.289 53.825 41.195 654 1HG1 VAL 35 1HG1 VAL 35 111.860 55.218 39.037 655 2HG1 VAL 35 2HG1 VAL 35 112.475 53.756 39.806 656 3HG1 VAL 35 3HG1 VAL 35 110.941 53.718 38.936 657 1HG2 VAL 35 1HG2 VAL 35 111.348 55.647 42.695 658 2HG2 VAL 35 2HG2 VAL 35 112.330 54.229 42.327 659 3HG2 VAL 35 3HG2 VAL 35 112.607 55.741 41.463 660 H GLU 36 H GLU 36 108.091 54.020 40.438 661 HA GLU 36 HA GLU 36 107.692 53.846 37.616 662 1HB GLU 36 1HB GLU 36 105.838 53.231 39.942 663 2HB GLU 36 2HB GLU 36 105.676 52.586 38.308 664 1HG GLU 36 1HG GLU 36 108.363 52.182 39.353 665 2HG GLU 36 2HG GLU 36 107.144 51.445 40.394 666 H TYR 37 H TYR 37 106.306 55.978 40.055 667 HA TYR 37 HA TYR 37 104.119 56.932 38.377 668 1HB TYR 37 1HB TYR 37 104.126 56.887 40.863 669 2HB TYR 37 2HB TYR 37 105.430 58.074 40.865 670 HD1 TYR 37 HD1 TYR 37 102.190 57.694 38.972 671 HD2 TYR 37 HD2 TYR 37 104.689 60.214 41.431 672 HE1 TYR 37 HE1 TYR 37 100.518 59.533 38.787 673 HE2 TYR 37 HE2 TYR 37 103.017 62.053 41.246 674 HH TYR 37 HH TYR 37 100.228 61.800 39.095 675 H PHE 38 H PHE 38 106.970 58.672 39.691 676 HA PHE 38 HA PHE 38 106.792 60.921 37.974 677 1HB PHE 38 1HB PHE 38 109.050 59.549 39.445 678 2HB PHE 38 2HB PHE 38 109.283 61.074 38.589 679 HD1 PHE 38 HD1 PHE 38 106.833 62.563 39.046 680 HD2 PHE 38 HD2 PHE 38 109.008 59.999 41.755 681 HE1 PHE 38 HE1 PHE 38 105.878 63.804 40.986 682 HE2 PHE 38 HE2 PHE 38 108.053 61.240 43.695 683 HZ PHE 38 HZ PHE 38 106.488 63.142 43.311 684 H THR 39 H THR 39 108.657 57.894 37.575 685 HA THR 39 HA THR 39 110.017 58.546 35.176 686 HB THR 39 HB THR 39 108.882 55.926 36.208 687 HG1 THR 39 HG1 THR 39 110.995 55.712 37.020 688 1HG2 THR 39 1HG2 THR 39 110.630 56.613 33.887 689 2HG2 THR 39 2HG2 THR 39 111.028 55.166 34.816 690 3HG2 THR 39 3HG2 THR 39 109.443 55.318 34.056 691 H ARG 40 H ARG 40 106.813 57.006 35.612 692 HA ARG 40 HA ARG 40 106.263 56.810 32.773 693 1HB ARG 40 1HB ARG 40 105.306 55.590 34.902 694 2HB ARG 40 2HB ARG 40 104.172 56.941 34.930 695 1HG ARG 40 1HG ARG 40 103.036 56.165 33.132 696 2HG ARG 40 2HG ARG 40 104.519 55.790 32.255 697 1HD ARG 40 1HD ARG 40 104.707 53.807 33.990 698 2HD ARG 40 2HD ARG 40 102.957 54.056 34.150 699 HE ARG 40 HE ARG 40 104.362 53.225 31.676 700 1HH1 ARG 40 1HH2 ARG 40 101.918 51.908 32.966 701 2HH1 ARG 40 2HH2 ARG 40 100.666 52.396 31.871 702 1HH2 ARG 40 1HH1 ARG 40 102.570 54.886 30.388 703 2HH2 ARG 40 2HH1 ARG 40 101.036 54.083 30.413 704 H LEU 41 H LEU 41 105.957 59.356 35.133 705 HA LEU 41 HA LEU 41 103.930 60.886 33.697 706 1HB LEU 41 1HB LEU 41 104.941 60.823 36.226 707 2HB LEU 41 2HB LEU 41 105.806 62.214 35.572 708 HG LEU 41 HG LEU 41 102.818 61.901 35.259 709 1HD1 LEU 41 1HD1 LEU 41 103.655 61.914 37.701 710 2HD1 LEU 41 2HD1 LEU 41 104.158 63.574 37.385 711 3HD1 LEU 41 3HD1 LEU 41 102.458 63.129 37.253 712 1HD2 LEU 41 1HD2 LEU 41 104.818 64.157 35.001 713 2HD2 LEU 41 2HD2 LEU 41 103.731 63.525 33.765 714 3HD2 LEU 41 3HD2 LEU 41 103.083 64.450 35.119 715 H ARG 42 H ARG 42 107.382 60.512 33.461 716 HA ARG 42 HA ARG 42 107.888 63.076 32.169 717 1HB ARG 42 1HB ARG 42 109.629 62.042 33.440 718 2HB ARG 42 2HB ARG 42 109.390 60.490 32.639 719 1HG ARG 42 1HG ARG 42 110.823 61.044 31.009 720 2HG ARG 42 2HG ARG 42 109.950 62.541 30.688 721 1HD ARG 42 1HD ARG 42 111.142 63.555 32.693 722 2HD ARG 42 2HD ARG 42 112.161 62.101 32.720 723 HE ARG 42 HE ARG 42 112.735 62.659 30.309 724 1HH1 ARG 42 1HH1 ARG 42 110.591 65.007 30.829 725 2HH1 ARG 42 2HH1 ARG 42 111.671 66.355 30.695 726 1HH2 ARG 42 1HH2 ARG 42 114.540 64.414 30.840 727 2HH2 ARG 42 2HH2 ARG 42 113.906 66.020 30.700 728 H GLU 43 H GLU 43 106.864 59.887 31.180 729 HA GLU 43 HA GLU 43 107.641 60.170 28.376 730 1HB GLU 43 1HB GLU 43 106.130 58.270 30.125 731 2HB GLU 43 2HB GLU 43 105.861 58.170 28.384 732 1HG GLU 43 1HG GLU 43 108.685 58.441 28.923 733 2HG GLU 43 2HG GLU 43 108.026 57.086 29.839 734 H ALA 44 H ALA 44 104.956 61.183 30.337 735 HA ALA 44 HA ALA 44 103.096 61.469 28.060 736 1HB ALA 44 1HB ALA 44 102.973 61.218 30.871 737 2HB ALA 44 2HB ALA 44 102.368 62.837 30.505 738 3HB ALA 44 3HB ALA 44 101.613 61.422 29.766 739 H ARG 45 H ARG 45 104.492 63.691 30.491 740 HA ARG 45 HA ARG 45 103.710 66.129 29.436 741 1HB ARG 45 1HB ARG 45 105.017 65.569 31.546 742 2HB ARG 45 2HB ARG 45 106.466 65.527 30.539 743 1HG ARG 45 1HG ARG 45 106.463 67.743 31.293 744 2HG ARG 45 2HG ARG 45 105.654 67.884 29.732 745 1HD ARG 45 1HD ARG 45 103.449 67.761 30.867 746 2HD ARG 45 2HD ARG 45 104.277 67.672 32.434 747 HE ARG 45 HE ARG 45 104.865 69.957 30.609 748 1HH1 ARG 45 1HH1 ARG 45 105.904 69.679 33.458 749 2HH1 ARG 45 2HH1 ARG 45 104.840 70.747 34.309 750 1HH2 ARG 45 1HH2 ARG 45 102.510 70.900 31.745 751 2HH2 ARG 45 2HH2 ARG 45 102.917 71.438 33.340 752 H ARG 46 H ARG 46 106.201 63.976 28.195 753 HA ARG 46 HA ARG 46 106.484 65.748 25.815 754 1HB ARG 46 1HB ARG 46 108.549 64.982 27.844 755 2HB ARG 46 2HB ARG 46 109.055 65.106 26.159 756 1HG ARG 46 1HG ARG 46 107.465 67.297 27.499 757 2HG ARG 46 2HG ARG 46 109.226 67.243 27.587 758 1HD ARG 46 1HD ARG 46 109.291 68.258 25.564 759 2HD ARG 46 2HD ARG 46 108.549 66.807 24.861 760 HE ARG 46 HE ARG 46 106.323 67.879 25.677 761 1HH1 ARG 46 1HH2 ARG 46 108.117 69.017 23.264 762 2HH1 ARG 46 2HH2 ARG 46 107.710 70.693 23.422 763 1HH2 ARG 46 1HH1 ARG 46 106.229 70.311 26.536 764 2HH2 ARG 46 2HH1 ARG 46 106.641 71.426 25.276 Start of MODEL 5 1 1H HIS 1 1H HIS 1 81.861 52.510 63.762 2 2H HIS 1 2H HIS 1 81.401 52.162 65.360 3 3H HIS 1 3H HIS 1 81.207 53.731 64.748 4 HA HIS 1 HA HIS 1 83.589 54.033 64.605 5 1HB HIS 1 1HB HIS 1 82.091 54.292 66.721 6 2HB HIS 1 2HB HIS 1 82.921 52.846 67.298 7 HD1 HIS 1 HD1 HIS 1 84.071 56.075 65.597 8 HD2 HIS 1 HD2 HIS 1 85.102 53.606 68.793 9 HE1 HIS 1 HE1 HIS 1 86.114 57.113 66.673 10 H MET 2 H MET 2 85.431 52.949 64.031 11 HA MET 2 HA MET 2 85.842 50.178 65.096 12 1HB MET 2 1HB MET 2 85.407 51.131 62.377 13 2HB MET 2 2HB MET 2 86.941 50.270 62.519 14 1HG MET 2 1HG MET 2 85.424 48.535 62.082 15 2HG MET 2 2HG MET 2 85.548 48.503 63.841 16 1HE MET 2 1HE MET 2 83.657 47.936 65.017 17 2HE MET 2 2HE MET 2 81.998 47.985 64.424 18 3HE MET 2 3HE MET 2 83.208 47.044 63.555 19 H GLY 3 H GLY 3 87.360 52.987 63.479 20 1HA GLY 3 1HA GLY 3 89.409 53.580 65.146 21 2HA GLY 3 2HA GLY 3 90.030 52.120 64.374 22 H HIS 4 H HIS 4 91.466 54.389 63.965 23 HA HIS 4 HA HIS 4 91.032 54.875 61.064 24 1HB HIS 4 1HB HIS 4 91.091 56.946 63.273 25 2HB HIS 4 2HB HIS 4 91.361 57.361 61.579 26 HD1 HIS 4 HD1 HIS 4 89.315 55.860 60.064 27 HD2 HIS 4 HD2 HIS 4 88.441 57.498 63.797 28 HE1 HIS 4 HE1 HIS 4 86.796 56.099 60.170 29 H ILE 5 H ILE 5 93.021 53.565 60.941 30 HA ILE 5 HA ILE 5 95.471 54.988 61.924 31 HB ILE 5 HB ILE 5 95.009 52.698 62.787 32 1HG1 ILE 5 1HG1 ILE 5 97.282 51.977 61.152 33 2HG1 ILE 5 2HG1 ILE 5 97.394 53.673 61.621 34 1HG2 ILE 5 1HG2 ILE 5 94.175 52.225 60.161 35 2HG2 ILE 5 2HG2 ILE 5 95.674 51.310 60.311 36 3HG2 ILE 5 3HG2 ILE 5 94.347 51.016 61.434 37 1HD1 ILE 5 1HD1 ILE 5 96.794 52.862 63.998 38 2HD1 ILE 5 2HD1 ILE 5 97.188 51.248 63.405 39 3HD1 ILE 5 3HD1 ILE 5 98.419 52.510 63.410 40 H GLN 6 H GLN 6 94.724 56.243 59.748 41 HA GLN 6 HA GLN 6 95.975 54.883 57.390 42 1HB GLN 6 1HB GLN 6 93.787 56.866 57.854 43 2HB GLN 6 2HB GLN 6 94.691 56.989 56.345 44 1HG GLN 6 1HG GLN 6 94.281 54.471 56.077 45 2HG GLN 6 2HG GLN 6 93.097 54.637 57.373 46 1HE2 GLN 6 2HE2 GLN 6 91.091 55.688 56.887 47 2HE2 GLN 6 1HE2 GLN 6 90.678 56.205 55.325 48 H ILE 7 H ILE 7 97.661 56.059 59.403 49 HA ILE 7 HA ILE 7 98.777 58.380 57.863 50 HB ILE 7 HB ILE 7 98.579 57.953 60.864 51 1HG1 ILE 7 1HG1 ILE 7 96.449 58.589 59.783 52 2HG1 ILE 7 2HG1 ILE 7 97.075 59.912 60.768 53 1HG2 ILE 7 1HG2 ILE 7 100.191 59.761 59.177 54 2HG2 ILE 7 2HG2 ILE 7 99.291 60.569 60.460 55 3HG2 ILE 7 3HG2 ILE 7 100.428 59.280 60.856 56 1HD1 ILE 7 1HD1 ILE 7 98.241 60.239 58.221 57 2HD1 ILE 7 2HD1 ILE 7 96.543 59.863 57.926 58 3HD1 ILE 7 3HD1 ILE 7 96.979 61.233 58.948 59 HA PRO 8 HA PRO 8 101.956 55.071 58.317 60 1HB PRO 8 1HB PRO 8 103.037 55.406 55.831 61 2HB PRO 8 2HB PRO 8 101.637 54.361 56.147 62 1HG PRO 8 1HG PRO 8 101.729 57.119 55.043 63 2HG PRO 8 2HG PRO 8 100.700 55.754 54.587 64 1HD PRO 8 1HD PRO 8 99.851 57.821 56.145 65 2HD PRO 8 2HD PRO 8 99.181 56.177 56.247 66 HA PRO 9 HA PRO 9 104.650 58.557 59.330 67 1HB PRO 9 1HB PRO 9 106.300 57.162 61.009 68 2HB PRO 9 2HB PRO 9 104.716 57.787 61.510 69 1HG PRO 9 1HG PRO 9 105.500 55.028 60.724 70 2HG PRO 9 2HG PRO 9 104.377 55.569 61.980 71 1HD PRO 9 1HD PRO 9 103.582 54.611 59.548 72 2HD PRO 9 2HD PRO 9 102.628 55.751 60.521 73 H GLY 10 H GLY 10 107.003 58.951 58.973 74 1HA GLY 10 1HA GLY 10 109.151 58.324 58.062 75 2HA GLY 10 2HA GLY 10 108.413 56.861 57.406 76 H LEU 11 H LEU 11 106.096 58.385 56.337 77 HA LEU 11 HA LEU 11 107.076 58.916 53.700 78 1HB LEU 11 1HB LEU 11 104.692 58.407 54.807 79 2HB LEU 11 2HB LEU 11 104.564 60.165 54.739 80 HG LEU 11 HG LEU 11 105.559 58.777 52.295 81 1HD1 LEU 11 1HD1 LEU 11 102.881 58.372 53.515 82 2HD1 LEU 11 2HD1 LEU 11 102.898 58.761 51.795 83 3HD1 LEU 11 3HD1 LEU 11 103.770 57.348 52.387 84 1HD2 LEU 11 1HD2 LEU 11 104.867 61.358 52.972 85 2HD2 LEU 11 2HD2 LEU 11 104.955 60.742 51.322 86 3HD2 LEU 11 3HD2 LEU 11 103.408 60.785 52.166 87 H THR 12 H THR 12 106.327 61.059 56.445 88 HA THR 12 HA THR 12 106.566 63.565 55.145 89 HB THR 12 HB THR 12 107.421 62.767 57.944 90 HG1 THR 12 HG1 THR 12 105.333 62.871 58.467 91 1HG2 THR 12 1HG2 THR 12 107.114 65.318 56.528 92 2HG2 THR 12 2HG2 THR 12 106.214 65.246 58.043 93 3HG2 THR 12 3HG2 THR 12 107.955 64.964 58.037 94 H GLU 13 H GLU 13 109.099 61.829 56.990 95 HA GLU 13 HA GLU 13 111.284 63.500 56.466 96 1HB GLU 13 1HB GLU 13 111.004 61.339 57.874 97 2HB GLU 13 2HB GLU 13 111.442 60.485 56.394 98 1HG GLU 13 1HG GLU 13 113.574 60.787 57.140 99 2HG GLU 13 2HG GLU 13 113.377 62.403 56.461 100 H LEU 14 H LEU 14 110.226 60.697 54.491 101 HA LEU 14 HA LEU 14 112.148 60.869 52.436 102 1HB LEU 14 1HB LEU 14 110.031 59.304 53.031 103 2HB LEU 14 2HB LEU 14 109.317 60.258 51.730 104 HG LEU 14 HG LEU 14 111.231 59.677 50.268 105 1HD1 LEU 14 1HD1 LEU 14 112.330 58.814 52.786 106 2HD1 LEU 14 2HD1 LEU 14 112.308 57.455 51.662 107 3HD1 LEU 14 3HD1 LEU 14 113.134 58.950 51.223 108 1HD2 LEU 14 1HD2 LEU 14 109.725 57.388 51.565 109 2HD2 LEU 14 2HD2 LEU 14 109.296 58.255 50.090 110 3HD2 LEU 14 3HD2 LEU 14 110.705 57.194 50.112 111 H LEU 15 H LEU 15 108.858 62.306 52.412 112 HA LEU 15 HA LEU 15 109.184 63.788 49.999 113 1HB LEU 15 1HB LEU 15 107.362 63.627 52.313 114 2HB LEU 15 2HB LEU 15 107.373 65.201 51.515 115 HG LEU 15 HG LEU 15 106.954 64.114 49.345 116 1HD1 LEU 15 1HD1 LEU 15 108.115 61.966 49.964 117 2HD1 LEU 15 2HD1 LEU 15 106.706 61.546 50.937 118 3HD1 LEU 15 3HD1 LEU 15 106.548 61.731 49.190 119 1HD2 LEU 15 1HD2 LEU 15 105.104 64.697 51.103 120 2HD2 LEU 15 2HD2 LEU 15 104.667 63.721 49.701 121 3HD2 LEU 15 3HD2 LEU 15 104.945 62.948 51.261 122 H GLN 16 H GLN 16 109.480 64.911 53.406 123 HA GLN 16 HA GLN 16 110.249 67.576 52.909 124 1HB GLN 16 1HB GLN 16 110.158 65.719 55.054 125 2HB GLN 16 2HB GLN 16 111.777 66.416 55.069 126 1HG GLN 16 1HG GLN 16 110.965 68.612 55.323 127 2HG GLN 16 2HG GLN 16 109.348 68.174 54.774 128 1HE2 GLN 16 2HE2 GLN 16 111.593 67.914 57.533 129 2HE2 GLN 16 1HE2 GLN 16 110.403 67.516 58.676 130 H GLY 17 H GLY 17 112.120 64.597 52.638 131 1HA GLY 17 1HA GLY 17 114.735 65.704 52.534 132 2HA GLY 17 2HA GLY 17 114.249 64.211 51.726 133 H TYR 18 H TYR 18 112.563 64.866 49.803 134 HA TYR 18 HA TYR 18 114.009 65.903 47.659 135 1HB TYR 18 1HB TYR 18 111.560 64.843 48.067 136 2HB TYR 18 2HB TYR 18 111.098 66.527 47.824 137 HD1 TYR 18 HD1 TYR 18 113.824 64.414 46.334 138 HD2 TYR 18 HD2 TYR 18 110.291 66.793 45.640 139 HE1 TYR 18 HE1 TYR 18 114.123 64.140 43.870 140 HE2 TYR 18 HE2 TYR 18 110.585 66.520 43.181 141 HH TYR 18 HH TYR 18 112.074 65.880 41.563 142 H THR 19 H THR 19 112.013 67.685 49.998 143 HA THR 19 HA THR 19 112.132 70.250 48.724 144 HB THR 19 HB THR 19 112.065 69.883 51.706 145 HG1 THR 19 HG1 THR 19 110.150 68.958 49.838 146 1HG2 THR 19 1HG2 THR 19 111.683 72.102 50.679 147 2HG2 THR 19 2HG2 THR 19 110.339 71.430 49.755 148 3HG2 THR 19 3HG2 THR 19 110.244 71.514 51.514 149 H VAL 20 H VAL 20 114.304 68.565 50.961 150 HA VAL 20 HA VAL 20 116.039 70.900 51.345 151 HB VAL 20 HB VAL 20 116.339 67.951 52.001 152 1HG1 VAL 20 1HG1 VAL 20 118.068 70.307 52.373 153 2HG1 VAL 20 2HG1 VAL 20 117.782 69.387 53.850 154 3HG1 VAL 20 3HG1 VAL 20 118.475 68.591 52.438 155 1HG2 VAL 20 1HG2 VAL 20 114.541 69.845 53.011 156 2HG2 VAL 20 2HG2 VAL 20 114.985 68.318 53.775 157 3HG2 VAL 20 3HG2 VAL 20 115.844 69.800 54.200 158 H GLU 21 H GLU 21 115.894 68.113 49.206 159 HA GLU 21 HA GLU 21 118.670 68.429 48.262 160 1HB GLU 21 1HB GLU 21 116.577 66.914 46.732 161 2HB GLU 21 2HB GLU 21 118.252 66.479 47.047 162 1HG GLU 21 1HG GLU 21 117.179 66.466 49.579 163 2HG GLU 21 2HG GLU 21 115.829 65.886 48.601 164 H VAL 22 H VAL 22 115.477 68.644 46.707 165 HA VAL 22 HA VAL 22 116.248 69.885 44.303 166 HB VAL 22 HB VAL 22 113.724 70.256 45.948 167 1HG1 VAL 22 1HG1 VAL 22 114.273 71.655 43.786 168 2HG1 VAL 22 2HG1 VAL 22 113.862 70.153 42.959 169 3HG1 VAL 22 3HG1 VAL 22 112.674 70.942 43.995 170 1HG2 VAL 22 1HG2 VAL 22 114.861 67.879 45.019 171 2HG2 VAL 22 2HG2 VAL 22 113.174 68.114 45.477 172 3HG2 VAL 22 3HG2 VAL 22 113.664 68.291 43.791 173 H LEU 23 H LEU 23 115.672 71.311 47.496 174 HA LEU 23 HA LEU 23 115.799 74.065 46.479 175 1HB LEU 23 1HB LEU 23 114.450 73.173 48.455 176 2HB LEU 23 2HB LEU 23 115.979 73.053 49.328 177 HG LEU 23 HG LEU 23 116.038 75.611 48.223 178 1HD1 LEU 23 1HD1 LEU 23 113.259 74.864 49.151 179 2HD1 LEU 23 2HD1 LEU 23 113.837 76.530 49.151 180 3HD1 LEU 23 3HD1 LEU 23 113.725 75.636 47.636 181 1HD2 LEU 23 1HD2 LEU 23 116.784 74.848 50.489 182 2HD2 LEU 23 2HD2 LEU 23 115.838 76.336 50.546 183 3HD2 LEU 23 3HD2 LEU 23 115.094 74.800 50.991 184 H ARG 24 H ARG 24 118.026 71.675 47.710 185 HA ARG 24 HA ARG 24 120.119 73.645 48.360 186 1HB ARG 24 1HB ARG 24 119.799 71.586 49.666 187 2HB ARG 24 2HB ARG 24 120.062 70.613 48.218 188 1HG ARG 24 1HG ARG 24 122.220 70.570 48.965 189 2HG ARG 24 2HG ARG 24 122.305 72.146 48.177 190 1HD ARG 24 1HD ARG 24 121.597 73.189 50.379 191 2HD ARG 24 2HD ARG 24 121.814 71.590 51.121 192 HE ARG 24 HE ARG 24 124.163 71.932 49.732 193 1HH1 ARG 24 1HH1 ARG 24 123.820 74.876 49.964 194 2HH1 ARG 24 2HH1 ARG 24 124.578 75.225 51.481 195 1HH2 ARG 24 1HH2 ARG 24 124.530 71.932 52.564 196 2HH2 ARG 24 2HH2 ARG 24 124.981 73.558 52.953 197 H GLN 25 H GLN 25 119.928 70.867 46.089 198 HA GLN 25 HA GLN 25 122.169 71.916 44.514 199 1HB GLN 25 1HB GLN 25 121.810 69.836 43.251 200 2HB GLN 25 2HB GLN 25 121.766 69.505 44.983 201 1HG GLN 25 1HG GLN 25 119.129 70.139 44.395 202 2HG GLN 25 2HG GLN 25 119.647 69.216 42.983 203 1HE2 GLN 25 2HE2 GLN 25 120.351 68.962 46.524 204 2HE2 GLN 25 1HE2 GLN 25 119.984 67.306 46.620 205 H GLN 26 H GLN 26 118.683 72.070 44.402 206 HA GLN 26 HA GLN 26 117.219 73.070 42.833 207 1HB GLN 26 1HB GLN 26 119.611 74.609 43.161 208 2HB GLN 26 2HB GLN 26 119.118 74.716 41.470 209 1HG GLN 26 1HG GLN 26 116.713 74.975 42.776 210 2HG GLN 26 2HG GLN 26 117.815 75.808 43.874 211 1HE2 GLN 26 2HE2 GLN 26 119.221 77.549 42.846 212 2HE2 GLN 26 1HE2 GLN 26 118.606 78.398 41.512 213 HA PRO 27 HA PRO 27 118.883 70.295 39.506 214 1HB PRO 27 1HB PRO 27 116.608 68.791 39.253 215 2HB PRO 27 2HB PRO 27 117.894 68.414 40.418 216 1HG PRO 27 1HG PRO 27 115.290 69.792 40.856 217 2HG PRO 27 2HG PRO 27 116.123 68.606 41.872 218 1HD PRO 27 1HD PRO 27 116.148 71.271 42.391 219 2HD PRO 27 2HD PRO 27 117.485 70.184 42.831 220 HA PRO 28 HA PRO 28 116.864 72.670 36.391 221 1HB PRO 28 1HB PRO 28 117.249 71.072 34.200 222 2HB PRO 28 2HB PRO 28 118.547 72.031 34.939 223 1HG PRO 28 1HG PRO 28 117.934 69.130 35.234 224 2HG PRO 28 2HG PRO 28 119.501 69.945 35.094 225 1HD PRO 28 1HD PRO 28 118.492 69.071 37.460 226 2HD PRO 28 2HD PRO 28 119.578 70.471 37.324 227 H ASP 29 H ASP 29 115.987 69.289 36.838 228 HA ASP 29 HA ASP 29 113.166 69.971 36.174 229 1HB ASP 29 1HB ASP 29 115.044 68.352 34.608 230 2HB ASP 29 2HB ASP 29 113.559 67.483 34.997 231 H LEU 30 H LEU 30 111.916 69.154 37.806 232 HA LEU 30 HA LEU 30 113.018 67.321 39.791 233 1HB LEU 30 1HB LEU 30 110.179 68.305 39.339 234 2HB LEU 30 2HB LEU 30 110.839 67.667 40.845 235 HG LEU 30 HG LEU 30 112.584 69.741 40.028 236 1HD1 LEU 30 1HD1 LEU 30 110.486 70.353 38.620 237 2HD1 LEU 30 2HD1 LEU 30 109.763 70.793 40.168 238 3HD1 LEU 30 3HD1 LEU 30 111.220 71.616 39.609 239 1HD2 LEU 30 1HD2 LEU 30 112.016 69.035 42.344 240 2HD2 LEU 30 2HD2 LEU 30 111.827 70.774 42.122 241 3HD2 LEU 30 3HD2 LEU 30 110.407 69.729 42.142 242 H VAL 31 H VAL 31 110.853 67.062 37.012 243 HA VAL 31 HA VAL 31 109.636 64.560 37.480 244 HB VAL 31 HB VAL 31 110.762 65.691 34.895 245 1HG1 VAL 31 1HG1 VAL 31 109.558 63.246 35.344 246 2HG1 VAL 31 2HG1 VAL 31 108.194 64.260 34.874 247 3HG1 VAL 31 3HG1 VAL 31 109.581 64.094 33.798 248 1HG2 VAL 31 1HG2 VAL 31 108.598 66.551 36.682 249 2HG2 VAL 31 2HG2 VAL 31 109.359 67.417 35.347 250 3HG2 VAL 31 3HG2 VAL 31 108.052 66.277 35.027 251 H ASP 32 H ASP 32 112.581 65.104 35.525 252 HA ASP 32 HA ASP 32 113.353 62.345 35.429 253 1HB ASP 32 1HB ASP 32 114.025 64.672 34.195 254 2HB ASP 32 2HB ASP 32 115.407 64.487 35.278 255 H PHE 33 H PHE 33 114.454 65.058 37.495 256 HA PHE 33 HA PHE 33 116.418 63.649 38.986 257 1HB PHE 33 1HB PHE 33 116.093 66.086 39.015 258 2HB PHE 33 2HB PHE 33 114.518 65.880 39.783 259 HD1 PHE 33 HD1 PHE 33 118.025 64.594 40.297 260 HD2 PHE 33 HD2 PHE 33 114.472 66.272 42.088 261 HE1 PHE 33 HE1 PHE 33 119.123 64.530 42.535 262 HE2 PHE 33 HE2 PHE 33 115.569 66.206 44.325 263 HZ PHE 33 HZ PHE 33 117.894 65.336 44.548 264 H ALA 34 H ALA 34 112.941 64.124 39.669 265 HA ALA 34 HA ALA 34 112.732 62.763 42.116 266 1HB ALA 34 1HB ALA 34 110.857 62.858 39.729 267 2HB ALA 34 2HB ALA 34 110.374 62.394 41.360 268 3HB ALA 34 3HB ALA 34 110.935 64.035 41.039 269 H VAL 35 H VAL 35 112.910 61.433 38.824 270 HA VAL 35 HA VAL 35 112.393 58.688 39.688 271 HB VAL 35 HB VAL 35 113.415 59.976 37.136 272 1HG1 VAL 35 1HG1 VAL 35 112.626 57.141 37.805 273 2HG1 VAL 35 2HG1 VAL 35 112.602 57.756 36.152 274 3HG1 VAL 35 3HG1 VAL 35 114.116 57.710 37.054 275 1HG2 VAL 35 1HG2 VAL 35 111.098 60.584 37.877 276 2HG2 VAL 35 2HG2 VAL 35 111.125 59.692 36.356 277 3HG2 VAL 35 3HG2 VAL 35 110.681 58.871 37.853 278 H GLU 36 H GLU 36 115.251 60.421 38.379 279 HA GLU 36 HA GLU 36 117.159 58.367 38.622 280 1HB GLU 36 1HB GLU 36 117.406 61.362 39.050 281 2HB GLU 36 2HB GLU 36 118.760 60.279 38.721 282 1HG GLU 36 1HG GLU 36 116.892 59.675 36.730 283 2HG GLU 36 2HG GLU 36 116.837 61.434 36.865 284 H TYR 37 H TYR 37 116.065 60.699 41.094 285 HA TYR 37 HA TYR 37 117.944 59.852 43.121 286 1HB TYR 37 1HB TYR 37 116.856 62.032 43.143 287 2HB TYR 37 2HB TYR 37 115.264 61.275 43.198 288 HD1 TYR 37 HD1 TYR 37 118.516 61.404 45.086 289 HD2 TYR 37 HD2 TYR 37 114.237 60.851 45.271 290 HE1 TYR 37 HE1 TYR 37 118.634 61.319 47.575 291 HE2 TYR 37 HE2 TYR 37 114.354 60.766 47.759 292 HH TYR 37 HH TYR 37 117.139 60.258 49.454 293 H PHE 38 H PHE 38 114.385 59.449 43.177 294 HA PHE 38 HA PHE 38 114.234 57.477 45.153 295 1HB PHE 38 1HB PHE 38 112.622 58.323 42.789 296 2HB PHE 38 2HB PHE 38 112.159 56.818 43.586 297 HD1 PHE 38 HD1 PHE 38 112.515 57.126 46.364 298 HD2 PHE 38 HD2 PHE 38 111.344 60.147 43.508 299 HE1 PHE 38 HE1 PHE 38 111.420 58.428 48.188 300 HE2 PHE 38 HE2 PHE 38 110.249 61.448 45.333 301 HZ PHE 38 HZ PHE 38 110.287 60.587 47.673 302 H THR 39 H THR 39 114.710 56.999 41.640 303 HA THR 39 HA THR 39 114.616 54.159 41.604 304 HB THR 39 HB THR 39 116.198 56.176 39.981 305 HG1 THR 39 HG1 THR 39 114.396 55.593 38.509 306 1HG2 THR 39 1HG2 THR 39 115.666 53.232 39.550 307 2HG2 THR 39 2HG2 THR 39 116.130 54.317 38.239 308 3HG2 THR 39 3HG2 THR 39 117.227 54.053 39.595 309 H ARG 40 H ARG 40 117.260 56.392 42.405 310 HA ARG 40 HA ARG 40 119.364 54.435 42.519 311 1HB ARG 40 1HB ARG 40 119.608 56.919 42.384 312 2HB ARG 40 2HB ARG 40 119.002 57.040 44.036 313 1HG ARG 40 1HG ARG 40 121.103 56.729 44.778 314 2HG ARG 40 2HG ARG 40 121.053 55.099 44.102 315 1HD ARG 40 1HD ARG 40 121.527 57.175 42.069 316 2HD ARG 40 2HD ARG 40 122.812 57.063 43.289 317 HE ARG 40 HE ARG 40 121.837 54.499 42.190 318 1HH1 ARG 40 1HH1 ARG 40 124.513 55.956 43.398 319 2HH1 ARG 40 2HH1 ARG 40 125.603 55.483 42.137 320 1HH2 ARG 40 1HH2 ARG 40 123.093 54.340 40.035 321 2HH2 ARG 40 2HH2 ARG 40 124.798 54.566 40.233 322 H LEU 41 H LEU 41 117.140 55.735 44.993 323 HA LEU 41 HA LEU 41 118.222 54.406 47.262 324 1HB LEU 41 1HB LEU 41 115.538 55.468 46.411 325 2HB LEU 41 2HB LEU 41 115.681 54.604 47.942 326 HG LEU 41 HG LEU 41 117.423 56.956 47.157 327 1HD1 LEU 41 1HD1 LEU 41 114.784 57.179 47.664 328 2HD1 LEU 41 2HD1 LEU 41 115.389 57.159 49.320 329 3HD1 LEU 41 3HD1 LEU 41 115.955 58.388 48.190 330 1HD2 LEU 41 1HD2 LEU 41 117.148 55.188 49.570 331 2HD2 LEU 41 2HD2 LEU 41 118.612 55.779 48.785 332 3HD2 LEU 41 3HD2 LEU 41 117.646 56.866 49.784 333 H ARG 42 H ARG 42 115.961 53.294 44.763 334 HA ARG 42 HA ARG 42 115.044 50.891 45.943 335 1HB ARG 42 1HB ARG 42 115.176 52.186 43.365 336 2HB ARG 42 2HB ARG 42 115.494 50.462 43.176 337 1HG ARG 42 1HG ARG 42 113.136 51.613 44.695 338 2HG ARG 42 2HG ARG 42 113.062 51.013 43.038 339 1HD ARG 42 1HD ARG 42 114.002 49.326 45.383 340 2HD ARG 42 2HD ARG 42 112.346 49.299 44.744 341 HE ARG 42 HE ARG 42 114.773 48.412 43.267 342 1HH1 ARG 42 1HH1 ARG 42 112.996 49.656 41.307 343 2HH1 ARG 42 2HH1 ARG 42 111.912 48.377 40.874 344 1HH2 ARG 42 1HH2 ARG 42 112.674 46.433 43.644 345 2HH2 ARG 42 2HH2 ARG 42 111.731 46.552 42.196 346 H GLU 43 H GLU 43 118.060 51.566 44.178 347 HA GLU 43 HA GLU 43 118.981 48.816 44.153 348 1HB GLU 43 1HB GLU 43 119.925 51.535 43.459 349 2HB GLU 43 2HB GLU 43 121.201 50.386 43.864 350 1HG GLU 43 1HG GLU 43 120.947 49.307 41.905 351 2HG GLU 43 2HG GLU 43 119.209 49.143 42.162 352 H ALA 44 H ALA 44 118.882 51.256 46.595 353 HA ALA 44 HA ALA 44 121.177 50.173 48.115 354 1HB ALA 44 1HB ALA 44 119.733 52.601 47.904 355 2HB ALA 44 2HB ALA 44 119.461 52.003 49.543 356 3HB ALA 44 3HB ALA 44 121.108 52.268 48.958 357 H ARG 45 H ARG 45 117.761 50.825 48.943 358 HA ARG 45 HA ARG 45 117.551 49.338 51.270 359 1HB ARG 45 1HB ARG 45 115.767 50.211 49.072 360 2HB ARG 45 2HB ARG 45 115.120 48.934 50.103 361 1HG ARG 45 1HG ARG 45 116.420 50.970 51.702 362 2HG ARG 45 2HG ARG 45 115.180 51.688 50.674 363 1HD ARG 45 1HD ARG 45 113.575 49.916 51.482 364 2HD ARG 45 2HD ARG 45 114.817 49.404 52.644 365 HE ARG 45 HE ARG 45 114.487 52.248 52.800 366 1HH1 ARG 45 1HH1 ARG 45 114.145 49.547 54.620 367 2HH1 ARG 45 2HH1 ARG 45 112.738 50.052 55.494 368 1HH2 ARG 45 1HH2 ARG 45 112.135 52.798 53.464 369 2HH2 ARG 45 2HH2 ARG 45 111.599 51.892 54.839 370 H ARG 46 H ARG 46 117.447 47.156 51.777 371 HA ARG 46 HA ARG 46 118.203 45.185 49.786 372 1HB ARG 46 1HB ARG 46 118.419 45.454 52.475 373 2HB ARG 46 2HB ARG 46 117.026 44.376 52.394 374 1HG ARG 46 1HG ARG 46 118.649 43.196 50.565 375 2HG ARG 46 2HG ARG 46 119.853 43.865 51.668 376 1HD ARG 46 1HD ARG 46 118.766 42.745 53.573 377 2HD ARG 46 2HD ARG 46 117.522 42.093 52.487 378 HE ARG 46 HE ARG 46 119.983 41.391 51.332 379 1HH1 ARG 46 1HH1 ARG 46 117.836 39.466 52.318 380 2HH1 ARG 46 2HH1 ARG 46 118.726 38.534 53.474 381 1HH2 ARG 46 1HH2 ARG 46 121.345 40.798 53.678 382 2HH2 ARG 46 2HH2 ARG 46 120.714 39.289 54.245 383 1H HIS 1 1H HIS 1 122.909 92.474 50.809 384 2H HIS 1 2H HIS 1 122.582 94.139 50.703 385 3H HIS 1 3H HIS 1 122.296 93.310 52.155 386 HA HIS 1 HA HIS 1 120.519 92.039 51.153 387 1HB HIS 1 1HB HIS 1 120.386 94.465 52.093 388 2HB HIS 1 2HB HIS 1 120.172 94.942 50.408 389 HD1 HIS 1 HD1 HIS 1 118.708 92.163 52.595 390 HD2 HIS 1 HD2 HIS 1 117.481 95.049 49.848 391 HE1 HIS 1 HE1 HIS 1 116.200 91.904 52.355 392 H MET 2 H MET 2 119.997 90.988 49.277 393 HA MET 2 HA MET 2 120.458 92.400 46.674 394 1HB MET 2 1HB MET 2 121.721 90.030 47.808 395 2HB MET 2 2HB MET 2 120.953 89.672 46.261 396 1HG MET 2 1HG MET 2 123.084 90.412 45.613 397 2HG MET 2 2HG MET 2 122.104 91.870 45.453 398 1HE MET 2 1HE MET 2 123.123 93.876 45.935 399 2HE MET 2 2HE MET 2 124.594 94.106 46.877 400 3HE MET 2 3HE MET 2 124.614 93.046 45.470 401 H GLY 3 H GLY 3 118.884 89.631 48.306 402 1HA GLY 3 1HA GLY 3 116.275 89.987 47.669 403 2HA GLY 3 2HA GLY 3 116.912 89.407 46.128 404 H HIS 4 H HIS 4 115.027 87.843 47.304 405 HA HIS 4 HA HIS 4 116.605 85.435 48.046 406 1HB HIS 4 1HB HIS 4 114.454 86.787 49.695 407 2HB HIS 4 2HB HIS 4 114.935 85.111 49.962 408 HD1 HIS 4 HD1 HIS 4 117.887 85.105 49.825 409 HD2 HIS 4 HD2 HIS 4 115.830 88.296 51.548 410 HE1 HIS 4 HE1 HIS 4 119.533 86.279 51.351 411 H ILE 5 H ILE 5 115.855 84.754 45.888 412 HA ILE 5 HA ILE 5 112.924 84.135 45.761 413 HB ILE 5 HB ILE 5 113.889 85.651 44.035 414 1HG1 ILE 5 1HG1 ILE 5 113.436 83.401 42.277 415 2HG1 ILE 5 2HG1 ILE 5 112.318 83.332 43.640 416 1HG2 ILE 5 1HG2 ILE 5 116.057 83.889 44.166 417 2HG2 ILE 5 2HG2 ILE 5 115.335 83.574 42.589 418 3HG2 ILE 5 3HG2 ILE 5 115.851 85.206 43.012 419 1HD1 ILE 5 1HD1 ILE 5 111.905 85.840 43.187 420 2HD1 ILE 5 2HD1 ILE 5 112.684 85.554 41.631 421 3HD1 ILE 5 3HD1 ILE 5 111.207 84.686 42.049 422 H GLN 6 H GLN 6 113.993 82.297 47.296 423 HA GLN 6 HA GLN 6 114.945 80.050 45.559 424 1HB GLN 6 1HB GLN 6 115.348 80.941 48.384 425 2HB GLN 6 2HB GLN 6 115.418 79.208 48.058 426 1HG GLN 6 1HG GLN 6 117.031 79.789 46.150 427 2HG GLN 6 2HG GLN 6 117.135 81.395 46.874 428 1HE2 GLN 6 2HE2 GLN 6 118.330 81.625 48.845 429 2HE2 GLN 6 1HE2 GLN 6 119.188 80.344 49.555 430 H ILE 7 H ILE 7 112.148 80.722 45.597 431 HA ILE 7 HA ILE 7 111.050 78.321 47.023 432 HB ILE 7 HB ILE 7 109.849 81.087 46.662 433 1HG1 ILE 7 1HG1 ILE 7 111.630 80.970 48.370 434 2HG1 ILE 7 2HG1 ILE 7 110.052 81.195 49.125 435 1HG2 ILE 7 1HG2 ILE 7 108.709 78.465 47.395 436 2HG2 ILE 7 2HG2 ILE 7 108.315 79.771 48.513 437 3HG2 ILE 7 3HG2 ILE 7 107.902 79.918 46.804 438 1HD1 ILE 7 1HD1 ILE 7 110.390 78.405 48.860 439 2HD1 ILE 7 2HD1 ILE 7 111.926 79.025 49.468 440 3HD1 ILE 7 3HD1 ILE 7 110.434 79.348 50.351 441 HA PRO 8 HA PRO 8 110.088 78.095 42.519 442 1HB PRO 8 1HB PRO 8 110.431 75.392 42.314 443 2HB PRO 8 2HB PRO 8 111.764 76.553 42.158 444 1HG PRO 8 1HG PRO 8 110.973 74.882 44.485 445 2HG PRO 8 2HG PRO 8 112.588 75.294 43.888 446 1HD PRO 8 1HD PRO 8 111.431 76.502 46.038 447 2HD PRO 8 2HD PRO 8 112.627 77.298 44.992 448 HA PRO 9 HA PRO 9 105.998 76.880 44.012 449 1HB PRO 9 1HB PRO 9 104.603 77.918 41.899 450 2HB PRO 9 2HB PRO 9 105.192 78.909 43.248 451 1HG PRO 9 1HG PRO 9 106.326 78.560 40.521 452 2HG PRO 9 2HG PRO 9 106.233 80.013 41.528 453 1HD PRO 9 1HD PRO 9 108.501 78.524 41.222 454 2HD PRO 9 2HD PRO 9 108.154 79.509 42.660 455 H GLY 10 H GLY 10 104.308 75.410 43.114 456 1HA GLY 10 1HA GLY 10 103.527 73.816 41.476 457 2HA GLY 10 2HA GLY 10 105.081 73.948 40.649 458 H LEU 11 H LEU 11 106.580 73.701 43.202 459 HA LEU 11 HA LEU 11 106.984 70.867 43.221 460 1HB LEU 11 1HB LEU 11 108.365 73.017 44.012 461 2HB LEU 11 2HB LEU 11 107.670 72.583 45.574 462 HG LEU 11 HG LEU 11 108.858 70.381 43.953 463 1HD1 LEU 11 1HD1 LEU 11 110.348 72.736 44.978 464 2HD1 LEU 11 2HD1 LEU 11 111.035 71.159 45.368 465 3HD1 LEU 11 3HD1 LEU 11 110.768 71.613 43.685 466 1HD2 LEU 11 1HD2 LEU 11 107.798 70.634 46.484 467 2HD2 LEU 11 2HD2 LEU 11 108.872 69.333 45.972 468 3HD2 LEU 11 3HD2 LEU 11 109.530 70.746 46.799 469 H THR 12 H THR 12 105.105 73.024 45.341 470 HA THR 12 HA THR 12 104.425 71.181 47.383 471 HB THR 12 HB THR 12 102.745 73.390 46.157 472 HG1 THR 12 HG1 THR 12 103.926 74.757 47.337 473 1HG2 THR 12 1HG2 THR 12 102.497 71.684 48.532 474 2HG2 THR 12 2HG2 THR 12 102.398 73.407 48.895 475 3HG2 THR 12 3HG2 THR 12 101.284 72.685 47.735 476 H GLU 13 H GLU 13 102.469 72.050 44.510 477 HA GLU 13 HA GLU 13 100.388 70.196 44.782 478 1HB GLU 13 1HB GLU 13 100.880 72.067 43.051 479 2HB GLU 13 2HB GLU 13 101.727 70.813 42.146 480 1HG GLU 13 1HG GLU 13 99.670 70.415 41.247 481 2HG GLU 13 2HG GLU 13 99.402 69.521 42.744 482 H LEU 14 H LEU 14 103.480 69.678 43.033 483 HA LEU 14 HA LEU 14 103.076 67.004 42.233 484 1HB LEU 14 1HB LEU 14 105.023 68.859 42.008 485 2HB LEU 14 2HB LEU 14 105.758 67.830 43.238 486 HG LEU 14 HG LEU 14 105.408 65.858 41.780 487 1HD1 LEU 14 1HD1 LEU 14 103.728 67.734 40.382 488 2HD1 LEU 14 2HD1 LEU 14 104.959 67.118 39.280 489 3HD1 LEU 14 3HD1 LEU 14 103.891 65.997 40.124 490 1HD2 LEU 14 1HD2 LEU 14 106.894 68.221 40.598 491 2HD2 LEU 14 2HD2 LEU 14 107.555 66.935 41.609 492 3HD2 LEU 14 3HD2 LEU 14 107.034 66.582 39.962 493 H LEU 15 H LEU 15 104.775 68.117 45.194 494 HA LEU 15 HA LEU 15 105.089 65.532 46.357 495 1HB LEU 15 1HB LEU 15 105.283 68.378 47.110 496 2HB LEU 15 2HB LEU 15 104.952 67.296 48.463 497 HG LEU 15 HG LEU 15 106.879 65.898 47.835 498 1HD1 LEU 15 1HD1 LEU 15 106.729 66.435 45.377 499 2HD1 LEU 15 2HD1 LEU 15 107.441 68.010 45.732 500 3HD1 LEU 15 3HD1 LEU 15 108.365 66.537 46.030 501 1HD2 LEU 15 1HD2 LEU 15 107.030 68.097 49.247 502 2HD2 LEU 15 2HD2 LEU 15 108.523 67.334 48.700 503 3HD2 LEU 15 3HD2 LEU 15 107.883 68.737 47.843 504 H GLN 16 H GLN 16 102.599 68.040 47.038 505 HA GLN 16 HA GLN 16 101.051 66.608 48.909 506 1HB GLN 16 1HB GLN 16 100.887 68.946 47.311 507 2HB GLN 16 2HB GLN 16 99.390 68.056 47.038 508 1HG GLN 16 1HG GLN 16 98.806 68.097 49.322 509 2HG GLN 16 2HG GLN 16 100.455 68.466 49.828 510 1HE2 GLN 16 2HE2 GLN 16 97.546 69.879 48.325 511 2HE2 GLN 16 1HE2 GLN 16 97.999 71.495 48.577 512 H GLY 17 H GLY 17 101.241 66.273 45.403 513 1HA GLY 17 1HA GLY 17 98.902 64.724 44.954 514 2HA GLY 17 2HA GLY 17 100.370 64.625 43.976 515 H TYR 18 H TYR 18 102.260 63.575 45.494 516 HA TYR 18 HA TYR 18 101.836 60.828 45.674 517 1HB TYR 18 1HB TYR 18 103.883 62.542 46.060 518 2HB TYR 18 2HB TYR 18 103.549 62.124 47.741 519 HD1 TYR 18 HD1 TYR 18 103.349 60.144 44.555 520 HD2 TYR 18 HD2 TYR 18 105.127 60.547 48.466 521 HE1 TYR 18 HE1 TYR 18 104.525 57.963 44.244 522 HE2 TYR 18 HE2 TYR 18 106.304 58.371 48.159 523 HH TYR 18 HH TYR 18 106.372 56.477 46.880 524 H THR 19 H THR 19 101.227 63.287 48.163 525 HA THR 19 HA THR 19 100.594 61.506 50.318 526 HB THR 19 HB THR 19 99.282 64.181 49.941 527 HG1 THR 19 HG1 THR 19 102.052 63.675 50.234 528 1HG2 THR 19 1HG2 THR 19 99.046 62.926 52.060 529 2HG2 THR 19 2HG2 THR 19 100.801 62.906 52.233 530 3HG2 THR 19 3HG2 THR 19 99.926 64.436 52.293 531 H VAL 20 H VAL 20 98.680 62.851 47.658 532 HA VAL 20 HA VAL 20 96.139 61.825 48.709 533 HB VAL 20 HB VAL 20 96.970 62.986 46.030 534 1HG1 VAL 20 1HG1 VAL 20 94.431 61.939 47.096 535 2HG1 VAL 20 2HG1 VAL 20 94.309 63.562 46.418 536 3HG1 VAL 20 3HG1 VAL 20 94.913 62.235 45.425 537 1HG2 VAL 20 1HG2 VAL 20 96.852 64.192 48.554 538 2HG2 VAL 20 2HG2 VAL 20 96.856 65.025 47.000 539 3HG2 VAL 20 3HG2 VAL 20 95.327 64.634 47.785 540 H GLU 21 H GLU 21 98.651 60.746 46.500 541 HA GLU 21 HA GLU 21 96.995 58.607 45.326 542 1HB GLU 21 1HB GLU 21 99.995 58.615 45.203 543 2HB GLU 21 2HB GLU 21 98.835 58.239 43.936 544 1HG GLU 21 1HG GLU 21 98.312 60.898 44.411 545 2HG GLU 21 2HG GLU 21 100.056 60.810 44.666 546 H VAL 22 H VAL 22 99.986 58.664 47.252 547 HA VAL 22 HA VAL 22 100.087 55.950 47.976 548 HB VAL 22 HB VAL 22 100.879 58.407 49.574 549 1HG1 VAL 22 1HG1 VAL 22 100.939 55.957 50.540 550 2HG1 VAL 22 2HG1 VAL 22 102.366 55.808 49.513 551 3HG1 VAL 22 3HG1 VAL 22 102.314 57.036 50.777 552 1HG2 VAL 22 1HG2 VAL 22 101.656 57.688 46.987 553 2HG2 VAL 22 2HG2 VAL 22 102.522 58.782 48.066 554 3HG2 VAL 22 3HG2 VAL 22 102.953 57.073 48.011 555 H LEU 23 H LEU 23 98.189 58.592 49.385 556 HA LEU 23 HA LEU 23 97.329 56.978 51.685 557 1HB LEU 23 1HB LEU 23 97.699 59.502 51.575 558 2HB LEU 23 2HB LEU 23 96.208 59.589 50.635 559 HG LEU 23 HG LEU 23 95.535 57.983 52.811 560 1HD1 LEU 23 1HD1 LEU 23 97.405 60.220 53.614 561 2HD1 LEU 23 2HD1 LEU 23 96.210 59.548 54.722 562 3HD1 LEU 23 3HD1 LEU 23 97.487 58.520 54.074 563 1HD2 LEU 23 1HD2 LEU 23 94.194 59.777 51.689 564 2HD2 LEU 23 2HD2 LEU 23 94.144 59.884 53.449 565 3HD2 LEU 23 3HD2 LEU 23 95.171 60.983 52.527 566 H ARG 24 H ARG 24 96.217 57.623 48.438 567 HA ARG 24 HA ARG 24 93.456 56.741 48.978 568 1HB ARG 24 1HB ARG 24 93.982 58.516 47.358 569 2HB ARG 24 2HB ARG 24 94.993 57.399 46.443 570 1HG ARG 24 1HG ARG 24 93.080 57.076 45.237 571 2HG ARG 24 2HG ARG 24 92.685 55.971 46.554 572 1HD ARG 24 1HD ARG 24 91.571 57.919 47.738 573 2HD ARG 24 2HD ARG 24 91.784 58.852 46.242 574 HE ARG 24 HE ARG 24 90.653 56.514 45.338 575 1HH1 ARG 24 1HH1 ARG 24 89.397 56.138 48.006 576 2HH1 ARG 24 2HH1 ARG 24 87.908 57.007 47.846 577 1HH2 ARG 24 1HH2 ARG 24 88.932 58.774 45.044 578 2HH2 ARG 24 2HH2 ARG 24 87.645 58.499 46.170 579 H GLN 25 H GLN 25 96.068 55.573 46.801 580 HA GLN 25 HA GLN 25 94.779 52.950 46.556 581 1HB GLN 25 1HB GLN 25 96.663 52.547 45.028 582 2HB GLN 25 2HB GLN 25 95.957 54.133 44.711 583 1HG GLN 25 1HG GLN 25 97.855 54.664 46.665 584 2HG GLN 25 2HG GLN 25 98.642 53.449 45.656 585 1HE2 GLN 25 2HE2 GLN 25 96.436 56.227 44.949 586 2HE2 GLN 25 1HE2 GLN 25 97.424 56.886 43.736 587 H GLN 26 H GLN 26 97.267 54.391 48.539 588 HA GLN 26 HA GLN 26 98.654 53.458 50.214 589 1HB GLN 26 1HB GLN 26 96.045 52.275 50.239 590 2HB GLN 26 2HB GLN 26 97.218 51.024 50.650 591 1HG GLN 26 1HG GLN 26 98.150 53.168 52.098 592 2HG GLN 26 2HG GLN 26 96.404 53.402 52.181 593 1HE2 GLN 26 2HE2 GLN 26 95.108 51.457 52.949 594 2HE2 GLN 26 1HE2 GLN 26 95.836 50.381 54.040 595 HA PRO 27 HA PRO 27 100.473 50.545 47.094 596 1HB PRO 27 1HB PRO 27 102.941 51.732 47.032 597 2HB PRO 27 2HB PRO 27 101.595 52.240 45.992 598 1HG PRO 27 1HG PRO 27 102.593 53.454 48.522 599 2HG PRO 27 2HG PRO 27 102.024 54.240 47.040 600 1HD PRO 27 1HD PRO 27 100.494 54.011 49.271 601 2HD PRO 27 2HD PRO 27 99.815 54.053 47.628 602 HA PRO 28 HA PRO 28 102.409 48.200 50.282 603 1HB PRO 28 1HB PRO 28 104.009 46.545 48.798 604 2HB PRO 28 2HB PRO 28 102.247 46.354 48.898 605 1HG PRO 28 1HG PRO 28 103.897 47.601 46.755 606 2HG PRO 28 2HG PRO 28 102.462 46.572 46.620 607 1HD PRO 28 1HD PRO 28 102.381 49.273 46.333 608 2HD PRO 28 2HD PRO 28 101.014 48.319 46.949 609 H ASP 29 H ASP 29 104.395 49.818 47.866 610 HA ASP 29 HA ASP 29 106.442 50.356 49.959 611 1HB ASP 29 1HB ASP 29 106.658 48.566 47.648 612 2HB ASP 29 2HB ASP 29 107.932 49.784 47.684 613 H LEU 30 H LEU 30 106.879 52.521 49.875 614 HA LEU 30 HA LEU 30 105.931 54.179 47.668 615 1HB LEU 30 1HB LEU 30 107.739 54.831 50.021 616 2HB LEU 30 2HB LEU 30 106.789 55.980 49.081 617 HG LEU 30 HG LEU 30 104.986 53.975 49.942 618 1HD1 LEU 30 1HD1 LEU 30 106.930 53.567 51.620 619 2HD1 LEU 30 2HD1 LEU 30 106.445 55.111 52.323 620 3HD1 LEU 30 3HD1 LEU 30 105.302 53.769 52.268 621 1HD2 LEU 30 1HD2 LEU 30 104.531 56.392 49.564 622 2HD2 LEU 30 2HD2 LEU 30 103.965 55.854 51.147 623 3HD2 LEU 30 3HD2 LEU 30 105.463 56.775 51.012 624 H VAL 31 H VAL 31 109.036 52.840 48.694 625 HA VAL 31 HA VAL 31 110.842 54.410 47.199 626 HB VAL 31 HB VAL 31 110.836 51.405 47.647 627 1HG1 VAL 31 1HG1 VAL 31 112.616 52.946 46.203 628 2HG1 VAL 31 2HG1 VAL 31 113.358 52.910 47.802 629 3HG1 VAL 31 3HG1 VAL 31 112.999 51.401 46.963 630 1HG2 VAL 31 1HG2 VAL 31 111.062 53.699 49.466 631 2HG2 VAL 31 2HG2 VAL 31 110.793 51.997 49.838 632 3HG2 VAL 31 3HG2 VAL 31 112.432 52.594 49.581 633 H ASP 32 H ASP 32 109.479 51.269 46.167 634 HA ASP 32 HA ASP 32 110.268 51.524 43.422 635 1HB ASP 32 1HB ASP 32 109.333 49.586 45.079 636 2HB ASP 32 2HB ASP 32 107.868 49.934 44.159 637 H PHE 33 H PHE 33 107.144 52.128 45.071 638 HA PHE 33 HA PHE 33 105.627 52.865 42.787 639 1HB PHE 33 1HB PHE 33 104.703 52.433 45.023 640 2HB PHE 33 2HB PHE 33 105.535 53.854 45.655 641 HD1 PHE 33 HD1 PHE 33 103.357 53.027 42.690 642 HD2 PHE 33 HD2 PHE 33 104.198 55.752 45.933 643 HE1 PHE 33 HE1 PHE 33 101.448 54.464 41.978 644 HE2 PHE 33 HE2 PHE 33 102.291 57.190 45.217 645 HZ PHE 33 HZ PHE 33 100.916 56.547 43.241 646 H ALA 34 H ALA 34 107.546 54.904 45.008 647 HA ALA 34 HA ALA 34 107.081 57.432 43.881 648 1HB ALA 34 1HB ALA 34 109.608 56.208 45.038 649 2HB ALA 34 2HB ALA 34 109.334 57.939 44.844 650 3HB ALA 34 3HB ALA 34 108.324 57.005 45.948 651 H VAL 35 H VAL 35 109.267 54.858 42.770 652 HA VAL 35 HA VAL 35 110.480 56.515 40.690 653 HB VAL 35 HB VAL 35 110.459 53.546 41.322 654 1HG1 VAL 35 1HG1 VAL 35 112.009 55.186 39.318 655 2HG1 VAL 35 2HG1 VAL 35 112.591 53.629 39.904 656 3HG1 VAL 35 3HG1 VAL 35 111.061 53.726 39.032 657 1HG2 VAL 35 1HG2 VAL 35 111.455 55.078 43.041 658 2HG2 VAL 35 2HG2 VAL 35 112.636 53.983 42.322 659 3HG2 VAL 35 3HG2 VAL 35 112.572 55.669 41.809 660 H GLU 36 H GLU 36 108.294 53.667 40.687 661 HA GLU 36 HA GLU 36 107.763 53.527 37.928 662 1HB GLU 36 1HB GLU 36 105.957 53.036 40.319 663 2HB GLU 36 2HB GLU 36 105.666 52.412 38.695 664 1HG GLU 36 1HG GLU 36 108.313 51.700 39.242 665 2HG GLU 36 2HG GLU 36 107.459 51.405 40.756 666 H TYR 37 H TYR 37 106.178 55.560 40.402 667 HA TYR 37 HA TYR 37 104.186 56.659 38.620 668 1HB TYR 37 1HB TYR 37 103.935 56.631 41.043 669 2HB TYR 37 2HB TYR 37 105.404 57.585 41.243 670 HD1 TYR 37 HD1 TYR 37 102.039 57.700 39.565 671 HD2 TYR 37 HD2 TYR 37 105.272 59.932 41.356 672 HE1 TYR 37 HE1 TYR 37 100.712 59.799 39.343 673 HE2 TYR 37 HE2 TYR 37 103.945 62.031 41.135 674 HH TYR 37 HH TYR 37 101.315 62.349 39.171 675 H PHE 38 H PHE 38 106.901 58.418 40.161 676 HA PHE 38 HA PHE 38 106.918 60.668 38.498 677 1HB PHE 38 1HB PHE 38 108.897 59.161 40.151 678 2HB PHE 38 2HB PHE 38 109.524 60.428 39.094 679 HD1 PHE 38 HD1 PHE 38 107.695 62.570 39.074 680 HD2 PHE 38 HD2 PHE 38 108.587 59.901 42.349 681 HE1 PHE 38 HE1 PHE 38 106.933 64.304 40.696 682 HE2 PHE 38 HE2 PHE 38 107.824 61.635 43.970 683 HZ PHE 38 HZ PHE 38 106.998 63.837 43.143 684 H THR 39 H THR 39 108.607 57.559 37.965 685 HA THR 39 HA THR 39 110.028 58.271 35.609 686 HB THR 39 HB THR 39 108.772 55.665 36.532 687 HG1 THR 39 HG1 THR 39 111.103 55.363 37.041 688 1HG2 THR 39 1HG2 THR 39 110.763 56.268 34.338 689 2HG2 THR 39 2HG2 THR 39 110.594 54.666 35.056 690 3HG2 THR 39 3HG2 THR 39 109.235 55.398 34.203 691 H ARG 40 H ARG 40 106.669 57.213 36.072 692 HA ARG 40 HA ARG 40 106.020 56.848 33.294 693 1HB ARG 40 1HB ARG 40 104.748 56.004 35.275 694 2HB ARG 40 2HB ARG 40 104.277 57.664 35.643 695 1HG ARG 40 1HG ARG 40 102.533 57.425 34.241 696 2HG ARG 40 2HG ARG 40 103.680 57.274 32.909 697 1HD ARG 40 1HD ARG 40 103.415 54.803 34.487 698 2HD ARG 40 2HD ARG 40 101.916 55.294 33.672 699 HE ARG 40 HE ARG 40 104.385 55.429 32.051 700 1HH1 ARG 40 1HH1 ARG 40 101.158 54.893 31.827 701 2HH1 ARG 40 2HH1 ARG 40 101.247 53.437 30.894 702 1HH2 ARG 40 1HH2 ARG 40 104.667 53.056 31.324 703 2HH2 ARG 40 2HH2 ARG 40 103.233 52.396 30.608 704 H LEU 41 H LEU 41 105.737 59.650 35.492 705 HA LEU 41 HA LEU 41 104.415 61.433 33.714 706 1HB LEU 41 1HB LEU 41 106.279 61.657 36.066 707 2HB LEU 41 2HB LEU 41 105.792 63.118 35.205 708 HG LEU 41 HG LEU 41 103.844 61.071 36.303 709 1HD1 LEU 41 1HD1 LEU 41 105.371 62.645 37.873 710 2HD1 LEU 41 2HD1 LEU 41 104.094 63.796 37.479 711 3HD1 LEU 41 3HD1 LEU 41 103.693 62.266 38.259 712 1HD2 LEU 41 1HD2 LEU 41 103.627 63.702 34.868 713 2HD2 LEU 41 2HD2 LEU 41 102.704 62.221 34.621 714 3HD2 LEU 41 3HD2 LEU 41 102.373 63.243 36.020 715 H ARG 42 H ARG 42 107.844 60.589 34.055 716 HA ARG 42 HA ARG 42 109.024 62.611 32.465 717 1HB ARG 42 1HB ARG 42 109.646 60.021 33.581 718 2HB ARG 42 2HB ARG 42 110.325 60.141 31.957 719 1HG ARG 42 1HG ARG 42 110.696 62.223 34.131 720 2HG ARG 42 2HG ARG 42 111.883 60.986 33.717 721 1HD ARG 42 1HD ARG 42 110.792 62.988 31.709 722 2HD ARG 42 2HD ARG 42 112.321 63.199 32.585 723 HE ARG 42 HE ARG 42 111.761 61.055 30.598 724 1HH1 ARG 42 1HH1 ARG 42 113.455 59.868 32.658 725 2HH1 ARG 42 2HH1 ARG 42 115.058 60.308 32.169 726 1HH2 ARG 42 1HH2 ARG 42 114.000 62.824 30.030 727 2HH2 ARG 42 2HH2 ARG 42 115.366 61.982 30.681 728 H GLU 43 H GLU 43 107.452 59.567 31.499 729 HA GLU 43 HA GLU 43 108.090 59.811 28.682 730 1HB GLU 43 1HB GLU 43 106.496 58.116 30.511 731 2HB GLU 43 2HB GLU 43 105.907 58.172 28.848 732 1HG GLU 43 1HG GLU 43 107.603 56.873 28.133 733 2HG GLU 43 2HG GLU 43 108.796 57.919 28.904 734 H ALA 44 H ALA 44 105.759 61.343 30.719 735 HA ALA 44 HA ALA 44 103.839 61.877 28.534 736 1HB ALA 44 1HB ALA 44 103.844 61.747 31.365 737 2HB ALA 44 2HB ALA 44 103.476 63.422 30.946 738 3HB ALA 44 3HB ALA 44 102.472 62.111 30.317 739 H ARG 45 H ARG 45 105.559 63.969 30.867 740 HA ARG 45 HA ARG 45 105.209 66.426 29.640 741 1HB ARG 45 1HB ARG 45 107.211 65.133 31.399 742 2HB ARG 45 2HB ARG 45 107.746 66.625 30.623 743 1HG ARG 45 1HG ARG 45 105.034 66.906 31.607 744 2HG ARG 45 2HG ARG 45 106.118 66.406 32.906 745 1HD ARG 45 1HD ARG 45 107.685 68.264 32.226 746 2HD ARG 45 2HD ARG 45 106.437 68.824 31.095 747 HE ARG 45 HE ARG 45 105.258 68.402 33.674 748 1HH1 ARG 45 1HH1 ARG 45 105.833 70.790 31.507 749 2HH1 ARG 45 2HH1 ARG 45 106.155 72.047 32.653 750 1HH2 ARG 45 1HH2 ARG 45 106.343 69.896 35.364 751 2HH2 ARG 45 2HH2 ARG 45 106.443 71.542 34.836 752 H ARG 46 H ARG 46 106.048 67.451 27.830 753 HA ARG 46 HA ARG 46 107.452 65.891 25.826 754 1HB ARG 46 1HB ARG 46 105.788 68.031 25.847 755 2HB ARG 46 2HB ARG 46 107.336 68.859 25.674 756 1HG ARG 46 1HG ARG 46 107.665 66.850 23.876 757 2HG ARG 46 2HG ARG 46 105.920 67.085 23.767 758 1HD ARG 46 1HD ARG 46 106.247 69.488 23.328 759 2HD ARG 46 2HD ARG 46 108.005 69.280 23.474 760 HE ARG 46 HE ARG 46 107.163 67.354 21.613 761 1HH1 ARG 46 1HH1 ARG 46 109.100 69.647 21.083 762 2HH1 ARG 46 2HH1 ARG 46 108.302 70.465 19.781 763 1HH2 ARG 46 1HH2 ARG 46 105.256 68.893 20.309 764 2HH2 ARG 46 2HH2 ARG 46 106.126 70.038 19.343 Start of MODEL 6 1 1H HIS 1 1H HIS 1 89.077 49.913 71.287 2 2H HIS 1 2H HIS 1 88.329 50.923 72.431 3 3H HIS 1 3H HIS 1 88.296 49.240 72.638 4 HA HIS 1 HA HIS 1 86.770 48.917 70.906 5 1HB HIS 1 1HB HIS 1 86.395 51.120 72.855 6 2HB HIS 1 2HB HIS 1 85.208 51.059 71.551 7 HD1 HIS 1 HD1 HIS 1 86.841 48.540 73.923 8 HD2 HIS 1 HD2 HIS 1 83.149 49.337 72.160 9 HE1 HIS 1 HE1 HIS 1 85.236 46.788 74.799 10 H MET 2 H MET 2 87.239 52.473 70.976 11 HA MET 2 HA MET 2 86.870 52.521 68.019 12 1HB MET 2 1HB MET 2 86.312 54.230 70.325 13 2HB MET 2 2HB MET 2 87.082 55.120 69.013 14 1HG MET 2 1HG MET 2 85.370 54.558 67.473 15 2HG MET 2 2HG MET 2 84.754 53.267 68.505 16 1HE MET 2 1HE MET 2 83.335 55.160 67.006 17 2HE MET 2 2HE MET 2 81.991 54.988 68.132 18 3HE MET 2 3HE MET 2 82.615 56.592 67.755 19 H GLY 3 H GLY 3 88.836 52.207 66.994 20 1HA GLY 3 1HA GLY 3 91.336 53.166 68.173 21 2HA GLY 3 2HA GLY 3 91.169 52.364 66.611 22 H HIS 4 H HIS 4 92.695 54.130 65.917 23 HA HIS 4 HA HIS 4 91.124 56.458 64.930 24 1HB HIS 4 1HB HIS 4 93.461 56.456 66.819 25 2HB HIS 4 2HB HIS 4 93.257 57.809 65.707 26 HD1 HIS 4 HD1 HIS 4 92.702 57.520 68.989 27 HD2 HIS 4 HD2 HIS 4 89.953 58.077 65.905 28 HE1 HIS 4 HE1 HIS 4 90.637 58.536 70.046 29 H ILE 5 H ILE 5 91.833 57.116 62.894 30 HA ILE 5 HA ILE 5 94.075 55.551 61.697 31 HB ILE 5 HB ILE 5 91.829 57.214 60.510 32 1HG1 ILE 5 1HG1 ILE 5 91.071 55.154 61.652 33 2HG1 ILE 5 2HG1 ILE 5 90.882 55.013 59.903 34 1HG2 ILE 5 1HG2 ILE 5 94.092 55.633 59.314 35 2HG2 ILE 5 2HG2 ILE 5 92.564 55.780 58.446 36 3HG2 ILE 5 3HG2 ILE 5 93.488 57.226 58.855 37 1HD1 ILE 5 1HD1 ILE 5 93.484 54.117 60.386 38 2HD1 ILE 5 2HD1 ILE 5 92.538 53.436 61.709 39 3HD1 ILE 5 3HD1 ILE 5 92.082 53.106 60.037 40 H GLN 6 H GLN 6 95.689 56.688 60.429 41 HA GLN 6 HA GLN 6 95.763 59.610 60.370 42 1HB GLN 6 1HB GLN 6 96.660 58.206 62.670 43 2HB GLN 6 2HB GLN 6 98.102 58.791 61.840 44 1HG GLN 6 1HG GLN 6 96.624 61.010 61.641 45 2HG GLN 6 2HG GLN 6 95.877 60.337 63.091 46 1HE2 GLN 6 2HE2 GLN 6 99.295 60.396 61.913 47 2HE2 GLN 6 1HE2 GLN 6 99.926 61.053 63.345 48 H ILE 7 H ILE 7 98.148 60.263 59.665 49 HA ILE 7 HA ILE 7 98.771 58.741 57.268 50 HB ILE 7 HB ILE 7 100.257 60.982 58.680 51 1HG1 ILE 7 1HG1 ILE 7 97.896 61.565 58.245 52 2HG1 ILE 7 2HG1 ILE 7 98.970 62.474 57.182 53 1HG2 ILE 7 1HG2 ILE 7 100.348 59.835 55.887 54 2HG2 ILE 7 2HG2 ILE 7 100.903 61.472 56.236 55 3HG2 ILE 7 3HG2 ILE 7 101.685 60.092 57.008 56 1HD1 ILE 7 1HD1 ILE 7 98.602 60.575 55.478 57 2HD1 ILE 7 2HD1 ILE 7 97.252 60.087 56.502 58 3HD1 ILE 7 3HD1 ILE 7 97.256 61.682 55.749 59 HA PRO 8 HA PRO 8 101.631 55.991 59.270 60 1HB PRO 8 1HB PRO 8 102.862 55.004 57.036 61 2HB PRO 8 2HB PRO 8 101.241 54.498 57.553 62 1HG PRO 8 1HG PRO 8 102.034 56.445 55.451 63 2HG PRO 8 2HG PRO 8 100.732 55.248 55.446 64 1HD PRO 8 1HD PRO 8 100.320 57.899 55.900 65 2HD PRO 8 2HD PRO 8 99.288 56.621 56.578 66 HA PRO 9 HA PRO 9 105.212 58.626 59.369 67 1HB PRO 9 1HB PRO 9 106.806 57.065 60.955 68 2HB PRO 9 2HB PRO 9 105.453 58.022 61.590 69 1HG PRO 9 1HG PRO 9 105.593 55.113 60.986 70 2HG PRO 9 2HG PRO 9 104.789 55.953 62.321 71 1HD PRO 9 1HD PRO 9 103.476 54.997 60.127 72 2HD PRO 9 2HD PRO 9 102.907 56.376 61.094 73 H GLY 10 H GLY 10 107.596 58.439 58.790 74 1HA GLY 10 1HA GLY 10 109.402 57.203 57.722 75 2HA GLY 10 2HA GLY 10 108.206 56.069 57.094 76 H LEU 11 H LEU 11 106.336 58.006 56.123 77 HA LEU 11 HA LEU 11 107.555 58.619 53.554 78 1HB LEU 11 1HB LEU 11 105.223 57.928 53.799 79 2HB LEU 11 2HB LEU 11 104.895 59.314 54.840 80 HG LEU 11 HG LEU 11 106.108 60.068 52.280 81 1HD1 LEU 11 1HD1 LEU 11 103.916 58.146 52.305 82 2HD1 LEU 11 2HD1 LEU 11 103.454 59.651 51.511 83 3HD1 LEU 11 3HD1 LEU 11 104.858 58.748 50.941 84 1HD2 LEU 11 1HD2 LEU 11 104.408 61.129 54.287 85 2HD2 LEU 11 2HD2 LEU 11 105.016 61.954 52.853 86 3HD2 LEU 11 3HD2 LEU 11 103.469 61.111 52.795 87 H THR 12 H THR 12 107.172 60.337 56.549 88 HA THR 12 HA THR 12 107.195 63.032 55.514 89 HB THR 12 HB THR 12 108.031 61.812 58.163 90 HG1 THR 12 HG1 THR 12 105.845 61.514 57.528 91 1HG2 THR 12 1HG2 THR 12 108.297 64.490 57.161 92 2HG2 THR 12 2HG2 THR 12 107.088 64.473 58.445 93 3HG2 THR 12 3HG2 THR 12 108.714 63.867 58.756 94 H GLU 13 H GLU 13 109.788 61.076 57.024 95 HA GLU 13 HA GLU 13 111.940 62.849 56.624 96 1HB GLU 13 1HB GLU 13 111.634 59.849 56.733 97 2HB GLU 13 2HB GLU 13 113.226 60.584 56.535 98 1HG GLU 13 1HG GLU 13 113.185 61.571 58.641 99 2HG GLU 13 2HG GLU 13 111.423 61.598 58.705 100 H LEU 14 H LEU 14 110.513 60.495 54.371 101 HA LEU 14 HA LEU 14 112.486 60.670 52.310 102 1HB LEU 14 1HB LEU 14 109.590 59.919 52.549 103 2HB LEU 14 2HB LEU 14 110.308 60.035 50.942 104 HG LEU 14 HG LEU 14 111.430 58.370 53.214 105 1HD1 LEU 14 1HD1 LEU 14 109.354 57.856 51.211 106 2HD1 LEU 14 2HD1 LEU 14 110.672 56.684 51.146 107 3HD1 LEU 14 3HD1 LEU 14 109.781 56.927 52.649 108 1HD2 LEU 14 1HD2 LEU 14 112.595 59.359 50.831 109 2HD2 LEU 14 2HD2 LEU 14 113.260 58.140 51.918 110 3HD2 LEU 14 3HD2 LEU 14 112.267 57.651 50.545 111 H LEU 15 H LEU 15 109.268 62.263 52.415 112 HA LEU 15 HA LEU 15 109.693 63.990 50.201 113 1HB LEU 15 1HB LEU 15 107.887 63.765 52.548 114 2HB LEU 15 2HB LEU 15 107.942 65.346 51.769 115 HG LEU 15 HG LEU 15 107.496 64.258 49.579 116 1HD1 LEU 15 1HD1 LEU 15 108.465 62.045 50.178 117 2HD1 LEU 15 2HD1 LEU 15 107.101 61.763 51.260 118 3HD1 LEU 15 3HD1 LEU 15 106.834 61.900 49.523 119 1HD2 LEU 15 1HD2 LEU 15 105.624 64.052 51.906 120 2HD2 LEU 15 2HD2 LEU 15 105.496 65.038 50.449 121 3HD2 LEU 15 3HD2 LEU 15 105.133 63.313 50.382 122 H GLN 16 H GLN 16 110.120 64.656 53.703 123 HA GLN 16 HA GLN 16 110.978 67.337 53.543 124 1HB GLN 16 1HB GLN 16 110.740 65.316 55.442 125 2HB GLN 16 2HB GLN 16 112.466 65.685 55.455 126 1HG GLN 16 1HG GLN 16 111.906 68.107 55.693 127 2HG GLN 16 2HG GLN 16 110.201 67.669 55.804 128 1HE2 GLN 16 2HE2 GLN 16 109.444 66.704 57.783 129 2HE2 GLN 16 1HE2 GLN 16 110.423 66.569 59.163 130 H GLY 17 H GLY 17 112.852 64.338 53.076 131 1HA GLY 17 1HA GLY 17 115.441 65.487 52.918 132 2HA GLY 17 2HA GLY 17 114.955 64.013 52.074 133 H TYR 18 H TYR 18 113.121 64.801 50.277 134 HA TYR 18 HA TYR 18 114.479 65.858 48.081 135 1HB TYR 18 1HB TYR 18 112.015 64.872 48.627 136 2HB TYR 18 2HB TYR 18 111.610 66.578 48.438 137 HD1 TYR 18 HD1 TYR 18 114.168 64.412 46.742 138 HD2 TYR 18 HD2 TYR 18 110.655 66.883 46.316 139 HE1 TYR 18 HE1 TYR 18 114.295 64.167 44.261 140 HE2 TYR 18 HE2 TYR 18 110.779 66.640 43.840 141 HH TYR 18 HH TYR 18 111.757 65.479 42.145 142 H THR 19 H THR 19 112.427 67.641 50.397 143 HA THR 19 HA THR 19 112.557 70.228 49.341 144 HB THR 19 HB THR 19 112.822 69.514 52.272 145 HG1 THR 19 HG1 THR 19 110.812 68.780 52.237 146 1HG2 THR 19 1HG2 THR 19 112.741 71.910 51.700 147 2HG2 THR 19 2HG2 THR 19 111.249 71.644 50.799 148 3HG2 THR 19 3HG2 THR 19 111.277 71.408 52.547 149 H VAL 20 H VAL 20 114.957 68.577 51.410 150 HA VAL 20 HA VAL 20 116.725 70.889 51.564 151 HB VAL 20 HB VAL 20 117.129 67.934 52.129 152 1HG1 VAL 20 1HG1 VAL 20 119.244 69.211 51.871 153 2HG1 VAL 20 2HG1 VAL 20 118.682 70.357 53.087 154 3HG1 VAL 20 3HG1 VAL 20 118.996 68.679 53.534 155 1HG2 VAL 20 1HG2 VAL 20 115.268 69.231 53.357 156 2HG2 VAL 20 2HG2 VAL 20 116.461 68.404 54.361 157 3HG2 VAL 20 3HG2 VAL 20 116.574 70.147 54.112 158 H GLU 21 H GLU 21 116.349 68.178 49.364 159 HA GLU 21 HA GLU 21 119.017 68.561 48.149 160 1HB GLU 21 1HB GLU 21 116.829 66.970 46.853 161 2HB GLU 21 2HB GLU 21 118.541 66.593 46.993 162 1HG GLU 21 1HG GLU 21 117.742 66.560 49.622 163 2HG GLU 21 2HG GLU 21 116.315 65.934 48.795 164 H VAL 22 H VAL 22 115.665 68.683 46.939 165 HA VAL 22 HA VAL 22 116.125 69.915 44.465 166 HB VAL 22 HB VAL 22 113.830 70.328 46.408 167 1HG1 VAL 22 1HG1 VAL 22 113.912 71.811 44.376 168 2HG1 VAL 22 2HG1 VAL 22 113.854 70.354 43.384 169 3HG1 VAL 22 3HG1 VAL 22 112.502 70.754 44.441 170 1HG2 VAL 22 1HG2 VAL 22 114.614 68.079 44.571 171 2HG2 VAL 22 2HG2 VAL 22 113.987 67.998 46.216 172 3HG2 VAL 22 3HG2 VAL 22 112.908 68.397 44.880 173 H LEU 23 H LEU 23 116.158 71.327 47.686 174 HA LEU 23 HA LEU 23 116.093 74.098 46.683 175 1HB LEU 23 1HB LEU 23 115.132 73.179 48.876 176 2HB LEU 23 2HB LEU 23 116.799 73.078 49.445 177 HG LEU 23 HG LEU 23 116.877 75.589 48.560 178 1HD1 LEU 23 1HD1 LEU 23 114.460 75.338 47.762 179 2HD1 LEU 23 2HD1 LEU 23 114.001 75.338 49.465 180 3HD1 LEU 23 3HD1 LEU 23 114.798 76.747 48.766 181 1HD2 LEU 23 1HD2 LEU 23 116.818 74.373 51.015 182 2HD2 LEU 23 2HD2 LEU 23 116.996 76.111 50.775 183 3HD2 LEU 23 3HD2 LEU 23 115.408 75.427 51.119 184 H ARG 24 H ARG 24 118.486 71.804 47.985 185 HA ARG 24 HA ARG 24 120.671 73.765 47.852 186 1HB ARG 24 1HB ARG 24 120.218 71.665 49.408 187 2HB ARG 24 2HB ARG 24 121.033 70.796 48.106 188 1HG ARG 24 1HG ARG 24 122.291 73.314 49.112 189 2HG ARG 24 2HG ARG 24 122.415 71.869 50.115 190 1HD ARG 24 1HD ARG 24 123.942 70.929 48.720 191 2HD ARG 24 2HD ARG 24 122.974 71.321 47.285 192 HE ARG 24 HE ARG 24 123.865 73.695 47.556 193 1HH1 ARG 24 1HH1 ARG 24 125.710 70.899 47.665 194 2HH1 ARG 24 2HH1 ARG 24 127.165 71.664 48.211 195 1HH2 ARG 24 1HH2 ARG 24 125.650 74.729 48.787 196 2HH2 ARG 24 2HH2 ARG 24 127.130 73.833 48.844 197 H GLN 25 H GLN 25 119.939 70.676 46.171 198 HA GLN 25 HA GLN 25 122.025 70.862 44.234 199 1HB GLN 25 1HB GLN 25 119.284 69.560 44.163 200 2HB GLN 25 2HB GLN 25 120.591 69.197 43.037 201 1HG GLN 25 1HG GLN 25 120.953 68.966 46.027 202 2HG GLN 25 2HG GLN 25 120.347 67.626 45.052 203 1HE2 GLN 25 2HE2 GLN 25 121.849 67.483 42.846 204 2HE2 GLN 25 1HE2 GLN 25 123.511 67.420 43.184 205 H GLN 26 H GLN 26 118.645 71.972 44.158 206 HA GLN 26 HA GLN 26 117.528 73.404 42.643 207 1HB GLN 26 1HB GLN 26 119.943 74.494 43.585 208 2HB GLN 26 2HB GLN 26 119.919 74.857 41.858 209 1HG GLN 26 1HG GLN 26 117.538 75.686 42.182 210 2HG GLN 26 2HG GLN 26 117.819 75.564 43.919 211 1HE2 GLN 26 2HE2 GLN 26 119.285 77.102 44.905 212 2HE2 GLN 26 1HE2 GLN 26 119.869 78.454 44.063 213 HA PRO 27 HA PRO 27 119.554 71.134 39.029 214 1HB PRO 27 1HB PRO 27 117.605 69.255 38.623 215 2HB PRO 27 2HB PRO 27 119.000 68.989 39.688 216 1HG PRO 27 1HG PRO 27 116.203 69.738 40.385 217 2HG PRO 27 2HG PRO 27 117.311 68.626 41.204 218 1HD PRO 27 1HD PRO 27 116.824 71.155 42.077 219 2HD PRO 27 2HD PRO 27 118.363 70.308 42.350 220 HA PRO 28 HA PRO 28 116.941 73.436 36.328 221 1HB PRO 28 1HB PRO 28 117.454 72.216 33.931 222 2HB PRO 28 2HB PRO 28 118.612 73.295 34.735 223 1HG PRO 28 1HG PRO 28 118.534 70.319 34.662 224 2HG PRO 28 2HG PRO 28 119.922 71.414 34.572 225 1HD PRO 28 1HD PRO 28 119.224 70.078 36.836 226 2HD PRO 28 2HD PRO 28 120.052 71.650 36.847 227 H ASP 29 H ASP 29 116.627 69.969 36.570 228 HA ASP 29 HA ASP 29 113.757 70.212 35.758 229 1HB ASP 29 1HB ASP 29 115.892 68.293 34.810 230 2HB ASP 29 2HB ASP 29 114.177 67.910 34.660 231 H LEU 30 H LEU 30 112.570 69.548 37.496 232 HA LEU 30 HA LEU 30 113.745 67.917 39.630 233 1HB LEU 30 1HB LEU 30 112.162 69.832 39.944 234 2HB LEU 30 2HB LEU 30 110.909 68.884 39.144 235 HG LEU 30 HG LEU 30 111.812 67.111 41.032 236 1HD1 LEU 30 1HD1 LEU 30 113.246 68.918 42.005 237 2HD1 LEU 30 2HD1 LEU 30 111.787 69.858 42.318 238 3HD1 LEU 30 3HD1 LEU 30 112.035 68.316 43.137 239 1HD2 LEU 30 1HD2 LEU 30 109.486 68.718 40.507 240 2HD2 LEU 30 2HD2 LEU 30 109.580 67.165 41.339 241 3HD2 LEU 30 3HD2 LEU 30 109.759 68.665 42.249 242 H VAL 31 H VAL 31 111.550 67.428 36.907 243 HA VAL 31 HA VAL 31 110.285 65.011 37.573 244 HB VAL 31 HB VAL 31 111.519 65.823 34.919 245 1HG1 VAL 31 1HG1 VAL 31 109.767 63.644 35.785 246 2HG1 VAL 31 2HG1 VAL 31 109.053 64.609 34.493 247 3HG1 VAL 31 3HG1 VAL 31 110.628 63.851 34.259 248 1HG2 VAL 31 1HG2 VAL 31 109.353 66.952 36.536 249 2HG2 VAL 31 2HG2 VAL 31 110.152 67.622 35.114 250 3HG2 VAL 31 3HG2 VAL 31 108.815 66.489 34.921 251 H ASP 32 H ASP 32 113.232 65.174 35.554 252 HA ASP 32 HA ASP 32 113.948 62.451 35.738 253 1HB ASP 32 1HB ASP 32 114.835 64.722 34.509 254 2HB ASP 32 2HB ASP 32 116.121 64.465 35.691 255 H PHE 33 H PHE 33 114.889 65.191 37.832 256 HA PHE 33 HA PHE 33 116.707 63.816 39.525 257 1HB PHE 33 1HB PHE 33 116.303 66.270 39.427 258 2HB PHE 33 2HB PHE 33 114.724 66.023 40.175 259 HD1 PHE 33 HD1 PHE 33 118.267 64.868 40.768 260 HD2 PHE 33 HD2 PHE 33 114.630 66.459 42.469 261 HE1 PHE 33 HE1 PHE 33 119.330 64.886 43.022 262 HE2 PHE 33 HE2 PHE 33 115.694 66.473 44.725 263 HZ PHE 33 HZ PHE 33 118.044 65.689 45.000 264 H ALA 34 H ALA 34 113.192 64.353 39.943 265 HA ALA 34 HA ALA 34 112.797 62.968 42.359 266 1HB ALA 34 1HB ALA 34 111.287 64.055 40.190 267 2HB ALA 34 2HB ALA 34 110.641 62.450 40.537 268 3HB ALA 34 3HB ALA 34 110.720 63.664 41.814 269 H VAL 35 H VAL 35 112.933 61.660 39.034 270 HA VAL 35 HA VAL 35 112.317 58.941 39.822 271 HB VAL 35 HB VAL 35 113.588 60.214 37.378 272 1HG1 VAL 35 1HG1 VAL 35 112.796 57.400 38.030 273 2HG1 VAL 35 2HG1 VAL 35 112.594 57.987 36.380 274 3HG1 VAL 35 3HG1 VAL 35 114.191 57.986 37.128 275 1HG2 VAL 35 1HG2 VAL 35 110.778 59.537 38.225 276 2HG2 VAL 35 2HG2 VAL 35 111.390 61.032 37.517 277 3HG2 VAL 35 3HG2 VAL 35 111.198 59.594 36.513 278 H GLU 36 H GLU 36 115.348 60.650 38.966 279 HA GLU 36 HA GLU 36 117.091 58.400 39.311 280 1HB GLU 36 1HB GLU 36 117.555 61.385 39.626 281 2HB GLU 36 2HB GLU 36 118.820 60.180 39.383 282 1HG GLU 36 1HG GLU 36 116.593 60.139 37.419 283 2HG GLU 36 2HG GLU 36 117.668 61.536 37.341 284 H TYR 37 H TYR 37 115.582 60.579 41.599 285 HA TYR 37 HA TYR 37 117.401 60.093 43.807 286 1HB TYR 37 1HB TYR 37 115.954 62.072 43.613 287 2HB TYR 37 2HB TYR 37 114.521 61.044 43.661 288 HD1 TYR 37 HD1 TYR 37 117.683 60.798 45.667 289 HD2 TYR 37 HD2 TYR 37 113.441 61.603 45.696 290 HE1 TYR 37 HE1 TYR 37 117.715 60.870 48.157 291 HE2 TYR 37 HE2 TYR 37 113.472 61.675 48.188 292 HH TYR 37 HH TYR 37 115.278 60.479 50.044 293 H PHE 38 H PHE 38 113.956 59.142 43.552 294 HA PHE 38 HA PHE 38 114.067 57.120 45.545 295 1HB PHE 38 1HB PHE 38 112.302 57.766 43.191 296 2HB PHE 38 2HB PHE 38 111.982 56.332 44.168 297 HD1 PHE 38 HD1 PHE 38 112.179 56.808 46.837 298 HD2 PHE 38 HD2 PHE 38 111.200 59.730 43.813 299 HE1 PHE 38 HE1 PHE 38 111.079 58.229 48.566 300 HE2 PHE 38 HE2 PHE 38 110.100 61.151 45.542 301 HZ PHE 38 HZ PHE 38 110.039 60.399 47.918 302 H THR 39 H THR 39 114.198 56.763 41.971 303 HA THR 39 HA THR 39 114.486 53.985 41.773 304 HB THR 39 HB THR 39 115.883 56.191 40.222 305 HG1 THR 39 HG1 THR 39 113.905 56.589 39.680 306 1HG2 THR 39 1HG2 THR 39 116.474 53.565 40.029 307 2HG2 THR 39 2HG2 THR 39 115.082 53.630 38.949 308 3HG2 THR 39 3HG2 THR 39 116.485 54.651 38.639 309 H ARG 40 H ARG 40 116.922 56.393 42.692 310 HA ARG 40 HA ARG 40 119.155 54.522 42.645 311 1HB ARG 40 1HB ARG 40 119.323 56.993 42.372 312 2HB ARG 40 2HB ARG 40 118.773 57.196 44.036 313 1HG ARG 40 1HG ARG 40 120.781 56.558 44.916 314 2HG ARG 40 2HG ARG 40 121.055 55.342 43.667 315 1HD ARG 40 1HD ARG 40 121.780 57.020 42.083 316 2HD ARG 40 2HD ARG 40 121.296 58.331 43.178 317 HE ARG 40 HE ARG 40 123.150 56.454 44.419 318 1HH1 ARG 40 1HH1 ARG 40 122.730 59.611 44.392 319 2HH1 ARG 40 2HH1 ARG 40 124.319 60.083 43.890 320 1HH2 ARG 40 1HH2 ARG 40 125.246 56.886 42.915 321 2HH2 ARG 40 2HH2 ARG 40 125.744 58.539 43.054 322 H LEU 41 H LEU 41 116.692 55.439 44.960 323 HA LEU 41 HA LEU 41 117.968 54.609 47.384 324 1HB LEU 41 1HB LEU 41 115.467 55.572 46.466 325 2HB LEU 41 2HB LEU 41 115.126 54.064 47.315 326 HG LEU 41 HG LEU 41 116.930 55.209 49.013 327 1HD1 LEU 41 1HD1 LEU 41 115.415 57.396 47.584 328 2HD1 LEU 41 2HD1 LEU 41 115.984 57.602 49.240 329 3HD1 LEU 41 3HD1 LEU 41 117.139 57.311 47.940 330 1HD2 LEU 41 1HD2 LEU 41 114.469 54.290 49.263 331 2HD2 LEU 41 2HD2 LEU 41 115.119 55.394 50.475 332 3HD2 LEU 41 3HD2 LEU 41 114.038 56.000 49.220 333 H ARG 42 H ARG 42 116.090 52.833 44.942 334 HA ARG 42 HA ARG 42 115.706 50.359 46.201 335 1HB ARG 42 1HB ARG 42 115.816 51.489 43.541 336 2HB ARG 42 2HB ARG 42 116.511 49.869 43.531 337 1HG ARG 42 1HG ARG 42 114.436 49.007 43.581 338 2HG ARG 42 2HG ARG 42 114.187 49.755 45.159 339 1HD ARG 42 1HD ARG 42 112.443 50.525 43.607 340 2HD ARG 42 2HD ARG 42 113.524 51.882 43.983 341 HE ARG 42 HE ARG 42 114.335 51.793 41.758 342 1HH1 ARG 42 1HH1 ARG 42 111.618 49.943 41.870 343 2HH1 ARG 42 2HH1 ARG 42 112.059 48.847 40.604 344 1HH2 ARG 42 1HH2 ARG 42 115.341 49.943 40.432 345 2HH2 ARG 42 2HH2 ARG 42 114.164 48.846 39.791 346 H GLU 43 H GLU 43 118.639 51.585 44.593 347 HA GLU 43 HA GLU 43 120.151 49.124 44.982 348 1HB GLU 43 1HB GLU 43 120.735 51.972 44.157 349 2HB GLU 43 2HB GLU 43 122.030 50.785 44.328 350 1HG GLU 43 1HG GLU 43 120.338 49.321 42.846 351 2HG GLU 43 2HG GLU 43 119.842 50.926 42.308 352 H ALA 44 H ALA 44 119.558 52.032 46.846 353 HA ALA 44 HA ALA 44 121.837 51.791 48.630 354 1HB ALA 44 1HB ALA 44 119.656 53.540 48.107 355 2HB ALA 44 2HB ALA 44 119.550 53.081 49.809 356 3HB ALA 44 3HB ALA 44 121.024 53.825 49.184 357 H ARG 45 H ARG 45 118.369 51.429 49.397 358 HA ARG 45 HA ARG 45 118.628 50.098 51.829 359 1HB ARG 45 1HB ARG 45 116.611 50.259 49.637 360 2HB ARG 45 2HB ARG 45 116.347 49.036 50.882 361 1HG ARG 45 1HG ARG 45 116.969 51.913 51.571 362 2HG ARG 45 2HG ARG 45 115.317 51.346 51.317 363 1HD ARG 45 1HD ARG 45 115.396 50.845 53.552 364 2HD ARG 45 2HD ARG 45 116.318 49.423 53.025 365 HE ARG 45 HE ARG 45 118.142 51.578 53.163 366 1HH1 ARG 45 1HH1 ARG 45 115.830 51.099 55.499 367 2HH1 ARG 45 2HH1 ARG 45 116.928 50.697 56.777 368 1HH2 ARG 45 1HH2 ARG 45 119.690 50.477 54.692 369 2HH2 ARG 45 2HH2 ARG 45 119.115 50.345 56.320 370 H ARG 46 H ARG 46 117.394 48.188 49.111 371 HA ARG 46 HA ARG 46 118.834 45.816 50.108 372 1HB ARG 46 1HB ARG 46 116.504 46.488 48.504 373 2HB ARG 46 2HB ARG 46 117.477 45.247 47.714 374 1HG ARG 46 1HG ARG 46 117.401 43.841 49.679 375 2HG ARG 46 2HG ARG 46 116.620 45.114 50.616 376 1HD ARG 46 1HD ARG 46 114.733 43.908 50.011 377 2HD ARG 46 2HD ARG 46 114.854 44.947 48.576 378 HE ARG 46 HE ARG 46 116.542 42.838 47.983 379 1HH1 ARG 46 1HH1 ARG 46 113.259 43.574 47.954 380 2HH1 ARG 46 2HH1 ARG 46 112.723 41.961 47.621 381 1HH2 ARG 46 1HH2 ARG 46 115.869 40.554 48.005 382 2HH2 ARG 46 2HH2 ARG 46 114.202 40.252 47.647 383 1H HIS 1 1H HIS 1 114.821 96.369 44.037 384 2H HIS 1 2H HIS 1 114.305 97.442 45.250 385 3H HIS 1 3H HIS 1 114.987 98.046 43.819 386 HA HIS 1 HA HIS 1 117.138 97.350 44.386 387 1HB HIS 1 1HB HIS 1 115.394 98.647 46.404 388 2HB HIS 1 2HB HIS 1 116.959 98.097 47.004 389 HD1 HIS 1 HD1 HIS 1 115.686 99.984 43.929 390 HD2 HIS 1 HD2 HIS 1 118.909 99.992 46.572 391 HE1 HIS 1 HE1 HIS 1 117.180 101.906 43.230 392 H MET 2 H MET 2 115.146 96.325 47.187 393 HA MET 2 HA MET 2 116.931 93.964 47.517 394 1HB MET 2 1HB MET 2 115.356 95.770 49.191 395 2HB MET 2 2HB MET 2 115.080 94.076 49.603 396 1HG MET 2 1HG MET 2 117.376 93.693 50.048 397 2HG MET 2 2HG MET 2 117.867 95.172 49.224 398 1HE MET 2 1HE MET 2 118.817 94.081 51.624 399 2HE MET 2 2HE MET 2 119.283 95.701 52.134 400 3HE MET 2 3HE MET 2 118.299 94.700 53.198 401 H GLY 3 H GLY 3 116.193 92.261 46.266 402 1HA GLY 3 1HA GLY 3 113.339 91.869 45.757 403 2HA GLY 3 2HA GLY 3 114.643 90.812 45.213 404 H HIS 4 H HIS 4 113.095 89.086 45.960 405 HA HIS 4 HA HIS 4 113.685 88.401 48.795 406 1HB HIS 4 1HB HIS 4 111.014 88.936 47.526 407 2HB HIS 4 2HB HIS 4 111.124 87.749 48.825 408 HD1 HIS 4 HD1 HIS 4 109.946 90.873 48.762 409 HD2 HIS 4 HD2 HIS 4 113.289 89.374 50.752 410 HE1 HIS 4 HE1 HIS 4 110.429 92.478 50.661 411 H ILE 5 H ILE 5 113.939 86.176 49.061 412 HA ILE 5 HA ILE 5 113.653 84.505 46.604 413 HB ILE 5 HB ILE 5 115.141 84.121 49.222 414 1HG1 ILE 5 1HG1 ILE 5 116.029 85.949 47.811 415 2HG1 ILE 5 2HG1 ILE 5 117.140 84.579 47.843 416 1HG2 ILE 5 1HG2 ILE 5 114.843 82.444 46.743 417 2HG2 ILE 5 2HG2 ILE 5 116.336 82.374 47.678 418 3HG2 ILE 5 3HG2 ILE 5 114.802 81.942 48.433 419 1HD1 ILE 5 1HD1 ILE 5 115.413 84.013 45.720 420 2HD1 ILE 5 2HD1 ILE 5 115.720 85.744 45.583 421 3HD1 ILE 5 3HD1 ILE 5 117.068 84.608 45.588 422 H GLN 6 H GLN 6 112.634 82.397 46.786 423 HA GLN 6 HA GLN 6 111.284 81.596 49.253 424 1HB GLN 6 1HB GLN 6 110.072 83.489 47.512 425 2HB GLN 6 2HB GLN 6 109.198 81.971 47.300 426 1HG GLN 6 1HG GLN 6 109.362 81.941 49.969 427 2HG GLN 6 2HG GLN 6 109.452 83.687 49.728 428 1HE2 GLN 6 2HE2 GLN 6 107.571 81.091 48.057 429 2HE2 GLN 6 1HE2 GLN 6 106.069 81.859 48.248 430 H ILE 7 H ILE 7 109.631 79.735 48.606 431 HA ILE 7 HA ILE 7 111.122 77.778 47.057 432 HB ILE 7 HB ILE 7 108.296 77.745 48.168 433 1HG1 ILE 7 1HG1 ILE 7 109.964 78.321 49.895 434 2HG1 ILE 7 2HG1 ILE 7 109.330 76.697 50.156 435 1HG2 ILE 7 1HG2 ILE 7 110.208 75.604 47.228 436 2HG2 ILE 7 2HG2 ILE 7 108.882 75.243 48.333 437 3HG2 ILE 7 3HG2 ILE 7 108.541 75.878 46.724 438 1HD1 ILE 7 1HD1 ILE 7 111.346 75.881 48.772 439 2HD1 ILE 7 2HD1 ILE 7 112.010 77.496 49.020 440 3HD1 ILE 7 3HD1 ILE 7 111.673 76.457 50.406 441 HA PRO 8 HA PRO 8 109.262 78.842 43.164 442 1HB PRO 8 1HB PRO 8 109.986 76.612 41.757 443 2HB PRO 8 2HB PRO 8 111.118 77.925 42.144 444 1HG PRO 8 1HG PRO 8 110.755 75.288 43.469 445 2HG PRO 8 2HG PRO 8 112.243 76.178 43.117 446 1HD PRO 8 1HD PRO 8 111.098 76.102 45.582 447 2HD PRO 8 2HD PRO 8 112.072 77.471 44.999 448 HA PRO 9 HA PRO 9 105.427 76.628 43.577 449 1HB PRO 9 1HB PRO 9 104.160 77.623 41.364 450 2HB PRO 9 2HB PRO 9 104.370 78.557 42.859 451 1HG PRO 9 1HG PRO 9 105.910 78.686 40.317 452 2HG PRO 9 2HG PRO 9 105.409 79.993 41.401 453 1HD PRO 9 1HD PRO 9 107.936 78.967 41.342 454 2HD PRO 9 2HD PRO 9 107.210 79.713 42.782 455 H GLY 10 H GLY 10 104.091 75.079 42.207 456 1HA GLY 10 1HA GLY 10 103.905 73.638 40.253 457 2HA GLY 10 2HA GLY 10 105.611 73.934 39.917 458 H LEU 11 H LEU 11 106.591 73.492 42.571 459 HA LEU 11 HA LEU 11 106.773 70.590 42.548 460 1HB LEU 11 1HB LEU 11 108.641 72.046 43.153 461 2HB LEU 11 2HB LEU 11 107.704 72.742 44.475 462 HG LEU 11 HG LEU 11 107.823 69.815 44.576 463 1HD1 LEU 11 1HD1 LEU 11 110.266 71.318 44.060 464 2HD1 LEU 11 2HD1 LEU 11 110.330 70.484 45.613 465 3HD1 LEU 11 3HD1 LEU 11 110.023 69.574 44.134 466 1HD2 LEU 11 1HD2 LEU 11 107.521 72.049 46.296 467 2HD2 LEU 11 2HD2 LEU 11 107.456 70.343 46.737 468 3HD2 LEU 11 3HD2 LEU 11 108.987 71.216 46.812 469 H THR 12 H THR 12 104.711 72.898 44.127 470 HA THR 12 HA THR 12 104.005 71.344 46.453 471 HB THR 12 HB THR 12 102.572 73.514 44.889 472 HG1 THR 12 HG1 THR 12 104.621 74.054 45.779 473 1HG2 THR 12 1HG2 THR 12 101.689 71.882 47.082 474 2HG2 THR 12 2HG2 THR 12 101.901 73.539 47.647 475 3HG2 THR 12 3HG2 THR 12 100.837 73.204 46.282 476 H GLU 13 H GLU 13 102.235 71.913 43.391 477 HA GLU 13 HA GLU 13 100.085 70.142 43.815 478 1HB GLU 13 1HB GLU 13 101.609 71.113 41.399 479 2HB GLU 13 2HB GLU 13 100.228 70.031 41.216 480 1HG GLU 13 1HG GLU 13 98.713 71.602 42.017 481 2HG GLU 13 2HG GLU 13 99.942 72.463 42.944 482 H LEU 14 H LEU 14 103.360 69.458 42.608 483 HA LEU 14 HA LEU 14 102.930 66.747 41.807 484 1HB LEU 14 1HB LEU 14 105.237 68.474 42.648 485 2HB LEU 14 2HB LEU 14 105.506 66.743 42.428 486 HG LEU 14 HG LEU 14 104.262 68.571 40.351 487 1HD1 LEU 14 1HD1 LEU 14 107.041 67.950 41.039 488 2HD1 LEU 14 2HD1 LEU 14 106.652 67.573 39.360 489 3HD1 LEU 14 3HD1 LEU 14 106.401 69.206 39.978 490 1HD2 LEU 14 1HD2 LEU 14 104.214 65.759 40.675 491 2HD2 LEU 14 2HD2 LEU 14 103.721 66.678 39.253 492 3HD2 LEU 14 3HD2 LEU 14 105.376 66.087 39.390 493 H LEU 15 H LEU 15 104.480 67.931 44.824 494 HA LEU 15 HA LEU 15 104.538 65.423 46.159 495 1HB LEU 15 1HB LEU 15 104.721 68.313 46.824 496 2HB LEU 15 2HB LEU 15 104.371 67.233 48.174 497 HG LEU 15 HG LEU 15 106.331 65.843 47.539 498 1HD1 LEU 15 1HD1 LEU 15 106.322 66.451 45.125 499 2HD1 LEU 15 2HD1 LEU 15 106.868 68.072 45.552 500 3HD1 LEU 15 3HD1 LEU 15 107.908 66.681 45.861 501 1HD2 LEU 15 1HD2 LEU 15 106.561 68.740 48.250 502 2HD2 LEU 15 2HD2 LEU 15 106.967 67.318 49.208 503 3HD2 LEU 15 3HD2 LEU 15 108.047 67.851 47.920 504 H GLN 16 H GLN 16 102.102 68.053 46.389 505 HA GLN 16 HA GLN 16 100.349 66.863 48.252 506 1HB GLN 16 1HB GLN 16 100.439 69.088 46.580 507 2HB GLN 16 2HB GLN 16 99.020 68.208 46.010 508 1HG GLN 16 1HG GLN 16 98.202 68.075 48.364 509 2HG GLN 16 2HG GLN 16 99.575 69.063 48.866 510 1HE2 GLN 16 2HE2 GLN 16 99.530 71.336 48.364 511 2HE2 GLN 16 1HE2 GLN 16 98.162 72.095 47.706 512 H GLY 17 H GLY 17 100.597 66.339 44.733 513 1HA GLY 17 1HA GLY 17 98.294 64.723 44.383 514 2HA GLY 17 2HA GLY 17 99.758 64.588 43.406 515 H TYR 18 H TYR 18 101.656 63.702 45.077 516 HA TYR 18 HA TYR 18 101.339 60.947 45.359 517 1HB TYR 18 1HB TYR 18 103.279 62.794 45.769 518 2HB TYR 18 2HB TYR 18 102.893 62.400 47.443 519 HD1 TYR 18 HD1 TYR 18 102.924 60.312 44.322 520 HD2 TYR 18 HD2 TYR 18 104.547 60.956 48.268 521 HE1 TYR 18 HE1 TYR 18 104.238 58.199 44.126 522 HE2 TYR 18 HE2 TYR 18 105.862 58.848 48.076 523 HH TYR 18 HH TYR 18 106.571 57.240 46.631 524 H THR 19 H THR 19 100.802 63.433 47.864 525 HA THR 19 HA THR 19 100.085 61.841 50.048 526 HB THR 19 HB THR 19 98.690 64.393 49.209 527 HG1 THR 19 HG1 THR 19 100.497 65.469 49.610 528 1HG2 THR 19 1HG2 THR 19 97.961 63.353 51.322 529 2HG2 THR 19 2HG2 THR 19 99.630 63.339 51.889 530 3HG2 THR 19 3HG2 THR 19 98.805 64.874 51.620 531 H VAL 20 H VAL 20 98.023 62.901 47.333 532 HA VAL 20 HA VAL 20 95.615 61.652 48.400 533 HB VAL 20 HB VAL 20 96.370 62.670 45.642 534 1HG1 VAL 20 1HG1 VAL 20 94.397 61.160 45.655 535 2HG1 VAL 20 2HG1 VAL 20 93.647 62.175 46.888 536 3HG1 VAL 20 3HG1 VAL 20 93.948 62.823 45.275 537 1HG2 VAL 20 1HG2 VAL 20 96.483 64.258 47.671 538 2HG2 VAL 20 2HG2 VAL 20 95.474 64.768 46.317 539 3HG2 VAL 20 3HG2 VAL 20 94.732 64.075 47.759 540 H GLU 21 H GLU 21 98.266 60.613 46.346 541 HA GLU 21 HA GLU 21 96.800 58.255 45.335 542 1HB GLU 21 1HB GLU 21 99.780 58.551 45.142 543 2HB GLU 21 2HB GLU 21 98.640 57.972 43.933 544 1HG GLU 21 1HG GLU 21 97.859 60.591 44.234 545 2HG GLU 21 2HG GLU 21 99.606 60.698 44.453 546 H VAL 22 H VAL 22 99.794 58.740 47.210 547 HA VAL 22 HA VAL 22 100.193 56.113 48.104 548 HB VAL 22 HB VAL 22 100.651 58.728 49.580 549 1HG1 VAL 22 1HG1 VAL 22 100.978 56.590 50.871 550 2HG1 VAL 22 2HG1 VAL 22 102.198 56.131 49.683 551 3HG1 VAL 22 3HG1 VAL 22 102.443 57.556 50.691 552 1HG2 VAL 22 1HG2 VAL 22 102.067 57.351 47.310 553 2HG2 VAL 22 2HG2 VAL 22 101.694 59.063 47.506 554 3HG2 VAL 22 3HG2 VAL 22 102.990 58.328 48.449 555 H LEU 23 H LEU 23 97.848 58.495 49.192 556 HA LEU 23 HA LEU 23 97.161 56.991 51.630 557 1HB LEU 23 1HB LEU 23 97.129 59.530 51.267 558 2HB LEU 23 2HB LEU 23 95.674 59.270 50.303 559 HG LEU 23 HG LEU 23 94.940 57.865 52.444 560 1HD1 LEU 23 1HD1 LEU 23 97.217 58.363 53.496 561 2HD1 LEU 23 2HD1 LEU 23 96.659 60.025 53.680 562 3HD1 LEU 23 3HD1 LEU 23 95.810 58.714 54.499 563 1HD2 LEU 23 1HD2 LEU 23 94.254 60.283 51.350 564 2HD2 LEU 23 2HD2 LEU 23 93.460 59.571 52.756 565 3HD2 LEU 23 3HD2 LEU 23 94.740 60.766 52.975 566 H ARG 24 H ARG 24 95.793 57.561 48.393 567 HA ARG 24 HA ARG 24 93.397 55.957 48.951 568 1HB ARG 24 1HB ARG 24 93.866 58.009 47.336 569 2HB ARG 24 2HB ARG 24 94.351 56.736 46.214 570 1HG ARG 24 1HG ARG 24 91.773 56.394 47.691 571 2HG ARG 24 2HG ARG 24 91.818 57.549 46.358 572 1HD ARG 24 1HD ARG 24 91.870 55.886 44.809 573 2HD ARG 24 2HD ARG 24 93.140 55.013 45.691 574 HE ARG 24 HE ARG 24 91.274 54.249 47.254 575 1HH1 ARG 24 1HH1 ARG 24 91.156 54.178 43.907 576 2HH1 ARG 24 2HH1 ARG 24 89.474 53.783 43.795 577 1HH2 ARG 24 1HH2 ARG 24 88.875 54.222 47.182 578 2HH2 ARG 24 2HH2 ARG 24 88.181 53.808 45.651 579 H GLN 25 H GLN 25 96.203 55.621 46.735 580 HA GLN 25 HA GLN 25 95.620 52.961 45.884 581 1HB GLN 25 1HB GLN 25 98.231 54.484 46.182 582 2HB GLN 25 2HB GLN 25 98.037 53.010 45.232 583 1HG GLN 25 1HG GLN 25 96.320 55.450 44.756 584 2HG GLN 25 2HG GLN 25 97.873 55.230 43.950 585 1HE2 GLN 25 2HE2 GLN 25 98.008 52.691 43.127 586 2HE2 GLN 25 1HE2 GLN 25 96.660 52.227 42.204 587 H GLN 26 H GLN 26 97.605 54.183 48.576 588 HA GLN 26 HA GLN 26 98.547 53.054 50.428 589 1HB GLN 26 1HB GLN 26 95.816 52.478 50.084 590 2HB GLN 26 2HB GLN 26 96.566 50.928 50.464 591 1HG GLN 26 1HG GLN 26 97.744 52.101 52.389 592 2HG GLN 26 2HG GLN 26 96.689 53.481 52.084 593 1HE2 GLN 26 2HE2 GLN 26 94.419 53.268 52.617 594 2HE2 GLN 26 1HE2 GLN 26 93.823 51.948 53.502 595 HA PRO 27 HA PRO 27 99.996 49.595 47.558 596 1HB PRO 27 1HB PRO 27 102.471 50.609 46.967 597 2HB PRO 27 2HB PRO 27 101.029 50.940 45.984 598 1HG PRO 27 1HG PRO 27 102.344 52.638 48.046 599 2HG PRO 27 2HG PRO 27 101.624 53.100 46.496 600 1HD PRO 27 1HD PRO 27 100.368 53.449 48.882 601 2HD PRO 27 2HD PRO 27 99.501 53.178 47.353 602 HA PRO 28 HA PRO 28 102.252 47.935 50.960 603 1HB PRO 28 1HB PRO 28 103.685 45.954 49.729 604 2HB PRO 28 2HB PRO 28 101.939 45.841 50.034 605 1HG PRO 28 1HG PRO 28 103.381 46.540 47.525 606 2HG PRO 28 2HG PRO 28 101.927 45.556 47.755 607 1HD PRO 28 1HD PRO 28 101.861 48.136 46.893 608 2HD PRO 28 2HD PRO 28 100.542 47.379 47.813 609 H ASP 29 H ASP 29 103.926 49.136 48.144 610 HA ASP 29 HA ASP 29 106.313 49.710 49.856 611 1HB ASP 29 1HB ASP 29 106.138 48.386 47.144 612 2HB ASP 29 2HB ASP 29 107.629 49.145 47.706 613 H LEU 30 H LEU 30 106.560 51.904 49.844 614 HA LEU 30 HA LEU 30 105.341 53.581 47.771 615 1HB LEU 30 1HB LEU 30 105.448 54.109 50.216 616 2HB LEU 30 2HB LEU 30 107.202 54.237 50.080 617 HG LEU 30 HG LEU 30 106.371 55.867 48.034 618 1HD1 LEU 30 1HD1 LEU 30 104.008 55.594 48.812 619 2HD1 LEU 30 2HD1 LEU 30 104.474 56.301 50.359 620 3HD1 LEU 30 3HD1 LEU 30 104.567 57.264 48.885 621 1HD2 LEU 30 1HD2 LEU 30 107.595 56.097 50.625 622 2HD2 LEU 30 2HD2 LEU 30 107.801 57.143 49.220 623 3HD2 LEU 30 3HD2 LEU 30 106.516 57.471 50.382 624 H VAL 31 H VAL 31 108.565 52.390 48.572 625 HA VAL 31 HA VAL 31 110.232 54.135 47.134 626 HB VAL 31 HB VAL 31 110.356 51.102 47.278 627 1HG1 VAL 31 1HG1 VAL 31 112.160 53.186 46.294 628 2HG1 VAL 31 2HG1 VAL 31 112.910 52.177 47.531 629 3HG1 VAL 31 3HG1 VAL 31 112.243 51.438 46.075 630 1HG2 VAL 31 1HG2 VAL 31 110.566 53.204 49.313 631 2HG2 VAL 31 2HG2 VAL 31 110.411 51.459 49.518 632 3HG2 VAL 31 3HG2 VAL 31 111.999 52.178 49.249 633 H ASP 32 H ASP 32 109.079 51.015 45.825 634 HA ASP 32 HA ASP 32 109.703 51.500 43.116 635 1HB ASP 32 1HB ASP 32 108.663 49.494 44.649 636 2HB ASP 32 2HB ASP 32 107.235 49.978 43.730 637 H PHE 33 H PHE 33 106.687 52.184 44.907 638 HA PHE 33 HA PHE 33 105.116 53.132 42.742 639 1HB PHE 33 1HB PHE 33 104.349 52.633 45.056 640 2HB PHE 33 2HB PHE 33 105.210 54.061 45.631 641 HD1 PHE 33 HD1 PHE 33 102.869 53.213 42.798 642 HD2 PHE 33 HD2 PHE 33 103.882 55.950 45.981 643 HE1 PHE 33 HE1 PHE 33 100.916 54.639 42.193 644 HE2 PHE 33 HE2 PHE 33 101.929 57.377 45.373 645 HZ PHE 33 HZ PHE 33 100.447 56.721 43.480 646 H ALA 34 H ALA 34 107.191 54.979 45.000 647 HA ALA 34 HA ALA 34 106.848 57.559 43.937 648 1HB ALA 34 1HB ALA 34 108.574 56.140 45.715 649 2HB ALA 34 2HB ALA 34 109.590 57.127 44.664 650 3HB ALA 34 3HB ALA 34 108.315 57.882 45.621 651 H VAL 35 H VAL 35 109.075 54.980 42.854 652 HA VAL 35 HA VAL 35 110.347 56.603 40.820 653 HB VAL 35 HB VAL 35 110.122 53.620 41.328 654 1HG1 VAL 35 1HG1 VAL 35 111.637 55.235 39.311 655 2HG1 VAL 35 2HG1 VAL 35 112.376 53.776 39.970 656 3HG1 VAL 35 3HG1 VAL 35 110.834 53.677 39.120 657 1HG2 VAL 35 1HG2 VAL 35 112.025 55.797 42.174 658 2HG2 VAL 35 2HG2 VAL 35 111.258 54.555 43.164 659 3HG2 VAL 35 3HG2 VAL 35 112.573 54.124 42.071 660 H GLU 36 H GLU 36 107.830 54.054 40.745 661 HA GLU 36 HA GLU 36 107.411 54.101 37.911 662 1HB GLU 36 1HB GLU 36 105.555 53.421 40.218 663 2HB GLU 36 2HB GLU 36 105.317 52.927 38.540 664 1HG GLU 36 1HG GLU 36 107.968 52.291 39.715 665 2HG GLU 36 2HG GLU 36 106.599 51.385 40.361 666 H TYR 37 H TYR 37 106.318 56.209 40.483 667 HA TYR 37 HA TYR 37 104.073 57.373 39.057 668 1HB TYR 37 1HB TYR 37 104.321 57.389 41.503 669 2HB TYR 37 2HB TYR 37 105.797 58.344 41.359 670 HD1 TYR 37 HD1 TYR 37 102.578 58.654 39.455 671 HD2 TYR 37 HD2 TYR 37 105.264 60.440 42.326 672 HE1 TYR 37 HE1 TYR 37 101.225 60.747 39.420 673 HE2 TYR 37 HE2 TYR 37 103.911 62.533 42.289 674 HH TYR 37 HH TYR 37 102.182 63.576 40.275 675 H PHE 38 H PHE 38 107.129 58.975 40.022 676 HA PHE 38 HA PHE 38 106.925 61.122 38.172 677 1HB PHE 38 1HB PHE 38 109.132 59.772 39.712 678 2HB PHE 38 2HB PHE 38 109.507 61.103 38.616 679 HD1 PHE 38 HD1 PHE 38 107.752 63.172 38.833 680 HD2 PHE 38 HD2 PHE 38 108.716 60.332 41.940 681 HE1 PHE 38 HE1 PHE 38 107.002 64.807 40.560 682 HE2 PHE 38 HE2 PHE 38 107.965 61.967 43.666 683 HZ PHE 38 HZ PHE 38 107.109 64.203 42.976 684 H THR 39 H THR 39 108.855 58.103 37.912 685 HA THR 39 HA THR 39 110.017 58.490 35.394 686 HB THR 39 HB THR 39 108.822 55.980 36.616 687 HG1 THR 39 HG1 THR 39 110.359 56.332 37.985 688 1HG2 THR 39 1HG2 THR 39 109.680 56.185 34.063 689 2HG2 THR 39 2HG2 THR 39 111.220 55.888 34.868 690 3HG2 THR 39 3HG2 THR 39 109.902 54.729 35.033 691 H ARG 40 H ARG 40 106.687 57.549 36.166 692 HA ARG 40 HA ARG 40 105.948 56.941 33.416 693 1HB ARG 40 1HB ARG 40 104.847 56.026 35.456 694 2HB ARG 40 2HB ARG 40 104.283 57.649 35.858 695 1HG ARG 40 1HG ARG 40 102.665 57.630 34.248 696 2HG ARG 40 2HG ARG 40 103.670 56.736 33.107 697 1HD ARG 40 1HD ARG 40 103.208 54.641 34.222 698 2HD ARG 40 2HD ARG 40 102.393 55.477 35.558 699 HE ARG 40 HE ARG 40 101.257 56.140 32.956 700 1HH1 ARG 40 1HH1 ARG 40 100.141 55.535 35.878 701 2HH1 ARG 40 2HH1 ARG 40 99.043 54.256 35.479 702 1HH2 ARG 40 1HH2 ARG 40 100.331 53.784 32.295 703 2HH2 ARG 40 2HH2 ARG 40 99.151 53.265 33.451 704 H LEU 41 H LEU 41 106.103 59.828 35.396 705 HA LEU 41 HA LEU 41 104.291 61.508 33.951 706 1HB LEU 41 1HB LEU 41 106.142 61.647 36.091 707 2HB LEU 41 2HB LEU 41 106.627 62.900 34.947 708 HG LEU 41 HG LEU 41 103.918 63.229 34.947 709 1HD1 LEU 41 1HD1 LEU 41 104.766 62.172 37.645 710 2HD1 LEU 41 2HD1 LEU 41 103.396 63.269 37.477 711 3HD1 LEU 41 3HD1 LEU 41 103.373 61.700 36.672 712 1HD2 LEU 41 1HD2 LEU 41 105.982 64.804 35.420 713 2HD2 LEU 41 2HD2 LEU 41 104.378 65.266 35.991 714 3HD2 LEU 41 3HD2 LEU 41 105.539 64.546 37.107 715 H ARG 42 H ARG 42 107.724 60.725 33.473 716 HA ARG 42 HA ARG 42 108.470 62.587 31.514 717 1HB ARG 42 1HB ARG 42 109.265 59.992 32.511 718 2HB ARG 42 2HB ARG 42 109.505 60.058 30.766 719 1HG ARG 42 1HG ARG 42 111.368 61.271 31.095 720 2HG ARG 42 2HG ARG 42 110.384 62.549 31.810 721 1HD ARG 42 1HD ARG 42 112.102 61.847 33.422 722 2HD ARG 42 2HD ARG 42 110.509 61.329 34.012 723 HE ARG 42 HE ARG 42 111.133 59.083 33.590 724 1HH1 ARG 42 1HH1 ARG 42 113.870 60.898 33.409 725 2HH1 ARG 42 2HH1 ARG 42 114.717 59.889 32.284 726 1HH2 ARG 42 1HH2 ARG 42 111.945 57.944 31.534 727 2HH2 ARG 42 2HH2 ARG 42 113.627 58.216 31.224 728 H GLU 43 H GLU 43 106.633 59.562 31.104 729 HA GLU 43 HA GLU 43 106.456 59.799 28.204 730 1HB GLU 43 1HB GLU 43 105.174 58.126 30.370 731 2HB GLU 43 2HB GLU 43 104.687 57.966 28.681 732 1HG GLU 43 1HG GLU 43 107.346 57.844 28.344 733 2HG GLU 43 2HG GLU 43 107.259 57.221 29.992 734 H ALA 44 H ALA 44 104.592 60.948 30.939 735 HA ALA 44 HA ALA 44 102.123 61.475 29.502 736 1HB ALA 44 1HB ALA 44 103.175 61.601 32.140 737 2HB ALA 44 2HB ALA 44 102.582 63.218 31.749 738 3HB ALA 44 3HB ALA 44 101.497 61.828 31.644 739 H ARG 45 H ARG 45 104.395 63.818 30.951 740 HA ARG 45 HA ARG 45 103.540 66.100 29.600 741 1HB ARG 45 1HB ARG 45 106.069 65.122 30.846 742 2HB ARG 45 2HB ARG 45 106.164 66.604 29.894 743 1HG ARG 45 1HG ARG 45 104.057 66.201 32.022 744 2HG ARG 45 2HG ARG 45 105.640 66.886 32.389 745 1HD ARG 45 1HD ARG 45 104.639 68.878 31.855 746 2HD ARG 45 2HD ARG 45 104.894 68.355 30.178 747 HE ARG 45 HE ARG 45 102.528 67.097 31.079 748 1HH1 ARG 45 1HH1 ARG 45 103.193 70.275 31.782 749 2HH1 ARG 45 2HH1 ARG 45 101.914 70.955 30.832 750 1HH2 ARG 45 1HH2 ARG 45 101.111 67.956 29.288 751 2HH2 ARG 45 2HH2 ARG 45 100.735 69.641 29.419 752 H ARG 46 H ARG 46 106.716 64.819 28.689 753 HA ARG 46 HA ARG 46 106.236 65.587 25.883 754 1HB ARG 46 1HB ARG 46 108.447 65.135 27.715 755 2HB ARG 46 2HB ARG 46 108.724 64.312 26.179 756 1HG ARG 46 1HG ARG 46 108.393 66.365 24.944 757 2HG ARG 46 2HG ARG 46 107.888 67.216 26.404 758 1HD ARG 46 1HD ARG 46 110.115 67.864 26.368 759 2HD ARG 46 2HD ARG 46 110.303 66.330 27.240 760 HE ARG 46 HE ARG 46 110.351 65.566 24.584 761 1HH1 ARG 46 1HH1 ARG 46 112.403 66.877 26.906 762 2HH1 ARG 46 2HH1 ARG 46 113.697 67.232 25.811 763 1HH2 ARG 46 1HH2 ARG 46 111.861 66.453 22.974 764 2HH2 ARG 46 2HH2 ARG 46 113.389 66.993 23.583 Start of MODEL 7 1 1H HIS 1 1H HIS 1 81.904 54.275 65.940 2 2H HIS 1 2H HIS 1 82.282 53.519 64.469 3 3H HIS 1 3H HIS 1 83.248 53.241 65.839 4 HA HIS 1 HA HIS 1 84.331 54.787 64.290 5 1HB HIS 1 1HB HIS 1 81.648 56.084 64.722 6 2HB HIS 1 2HB HIS 1 83.036 57.073 64.268 7 HD1 HIS 1 HD1 HIS 1 84.480 55.451 62.233 8 HD2 HIS 1 HD2 HIS 1 80.313 55.559 62.364 9 HE1 HIS 1 HE1 HIS 1 83.673 54.774 59.930 10 H MET 2 H MET 2 85.832 54.745 66.029 11 HA MET 2 HA MET 2 85.242 56.079 68.573 12 1HB MET 2 1HB MET 2 86.666 54.023 68.230 13 2HB MET 2 2HB MET 2 87.856 55.048 67.429 14 1HG MET 2 1HG MET 2 88.241 56.317 69.422 15 2HG MET 2 2HG MET 2 86.838 55.608 70.223 16 1HE MET 2 1HE MET 2 86.490 53.759 71.073 17 2HE MET 2 2HE MET 2 87.133 52.268 70.386 18 3HE MET 2 3HE MET 2 87.706 52.825 71.955 19 H GLY 3 H GLY 3 86.830 56.879 65.543 20 1HA GLY 3 1HA GLY 3 86.892 59.697 66.229 21 2HA GLY 3 2HA GLY 3 88.507 58.988 66.228 22 H HIS 4 H HIS 4 89.167 60.179 64.373 23 HA HIS 4 HA HIS 4 88.301 58.982 61.814 24 1HB HIS 4 1HB HIS 4 87.734 61.231 60.897 25 2HB HIS 4 2HB HIS 4 86.677 60.782 62.236 26 HD1 HIS 4 HD1 HIS 4 86.971 62.051 64.478 27 HD2 HIS 4 HD2 HIS 4 89.550 63.354 61.473 28 HE1 HIS 4 HE1 HIS 4 87.994 64.217 65.301 29 H ILE 5 H ILE 5 90.805 59.030 63.320 30 HA ILE 5 HA ILE 5 92.511 60.757 61.558 31 HB ILE 5 HB ILE 5 92.544 61.179 64.013 32 1HG1 ILE 5 1HG1 ILE 5 95.209 60.091 63.854 33 2HG1 ILE 5 2HG1 ILE 5 94.749 60.747 62.283 34 1HG2 ILE 5 1HG2 ILE 5 92.411 58.400 64.182 35 2HG2 ILE 5 2HG2 ILE 5 94.061 58.772 64.681 36 3HG2 ILE 5 3HG2 ILE 5 92.698 59.506 65.526 37 1HD1 ILE 5 1HD1 ILE 5 94.198 62.328 64.779 38 2HD1 ILE 5 2HD1 ILE 5 95.812 62.343 64.067 39 3HD1 ILE 5 3HD1 ILE 5 94.428 62.905 63.129 40 H GLN 6 H GLN 6 93.952 59.723 60.210 41 HA GLN 6 HA GLN 6 94.864 56.977 60.796 42 1HB GLN 6 1HB GLN 6 93.957 56.167 58.601 43 2HB GLN 6 2HB GLN 6 92.691 56.629 59.740 44 1HG GLN 6 1HG GLN 6 92.599 58.880 58.650 45 2HG GLN 6 2HG GLN 6 93.756 58.304 57.449 46 1HE2 GLN 6 2HE2 GLN 6 92.902 55.809 56.759 47 2HE2 GLN 6 1HE2 GLN 6 91.304 55.834 56.190 48 H ILE 7 H ILE 7 96.501 59.157 60.713 49 HA ILE 7 HA ILE 7 97.819 58.979 58.020 50 HB ILE 7 HB ILE 7 97.671 61.271 60.008 51 1HG1 ILE 7 1HG1 ILE 7 95.560 60.870 58.789 52 2HG1 ILE 7 2HG1 ILE 7 96.324 62.363 58.243 53 1HG2 ILE 7 1HG2 ILE 7 99.190 60.838 57.453 54 2HG2 ILE 7 2HG2 ILE 7 98.632 62.460 57.863 55 3HG2 ILE 7 3HG2 ILE 7 99.723 61.602 58.950 56 1HD1 ILE 7 1HD1 ILE 7 97.434 60.369 56.620 57 2HD1 ILE 7 2HD1 ILE 7 95.723 59.954 56.732 58 3HD1 ILE 7 3HD1 ILE 7 96.208 61.545 56.147 59 HA PRO 8 HA PRO 8 100.817 57.333 61.048 60 1HB PRO 8 1HB PRO 8 102.083 55.676 59.281 61 2HB PRO 8 2HB PRO 8 100.599 55.220 60.143 62 1HG PRO 8 1HG PRO 8 100.951 56.167 57.351 63 2HG PRO 8 2HG PRO 8 99.851 54.943 57.998 64 1HD PRO 8 1HD PRO 8 99.086 57.485 57.350 65 2HD PRO 8 2HD PRO 8 98.264 56.484 58.568 66 HA PRO 9 HA PRO 9 103.901 60.201 59.627 67 1HB PRO 9 1HB PRO 9 105.825 59.680 61.501 68 2HB PRO 9 2HB PRO 9 104.362 60.622 61.854 69 1HG PRO 9 1HG PRO 9 104.984 57.785 62.486 70 2HG PRO 9 2HG PRO 9 104.096 58.987 63.435 71 1HD PRO 9 1HD PRO 9 102.905 57.000 61.971 72 2HD PRO 9 2HD PRO 9 102.120 58.539 62.387 73 H GLY 10 H GLY 10 106.597 59.883 59.561 74 1HA GLY 10 1HA GLY 10 108.377 58.378 58.880 75 2HA GLY 10 2HA GLY 10 107.154 57.212 58.373 76 H LEU 11 H LEU 11 105.498 58.866 56.830 77 HA LEU 11 HA LEU 11 106.999 58.990 54.350 78 1HB LEU 11 1HB LEU 11 104.459 58.541 54.949 79 2HB LEU 11 2HB LEU 11 104.330 60.293 54.786 80 HG LEU 11 HG LEU 11 105.542 58.485 52.678 81 1HD1 LEU 11 1HD1 LEU 11 102.747 59.274 53.265 82 2HD1 LEU 11 2HD1 LEU 11 103.250 59.468 51.585 83 3HD1 LEU 11 3HD1 LEU 11 103.360 57.888 52.362 84 1HD2 LEU 11 1HD2 LEU 11 105.042 61.421 52.972 85 2HD2 LEU 11 2HD2 LEU 11 106.401 60.587 52.218 86 3HD2 LEU 11 3HD2 LEU 11 104.859 60.706 51.370 87 H THR 12 H THR 12 106.092 61.328 56.815 88 HA THR 12 HA THR 12 106.436 63.728 55.283 89 HB THR 12 HB THR 12 106.914 63.207 58.234 90 HG1 THR 12 HG1 THR 12 104.561 63.750 56.754 91 1HG2 THR 12 1HG2 THR 12 107.612 65.443 57.238 92 2HG2 THR 12 2HG2 THR 12 105.907 65.712 56.874 93 3HG2 THR 12 3HG2 THR 12 106.433 65.527 58.548 94 H GLU 13 H GLU 13 108.699 61.939 57.393 95 HA GLU 13 HA GLU 13 110.952 63.635 57.112 96 1HB GLU 13 1HB GLU 13 110.539 61.637 58.648 97 2HB GLU 13 2HB GLU 13 110.973 60.611 57.281 98 1HG GLU 13 1HG GLU 13 113.191 61.221 57.346 99 2HG GLU 13 2HG GLU 13 112.835 62.841 57.945 100 H LEU 14 H LEU 14 109.705 61.089 54.983 101 HA LEU 14 HA LEU 14 111.988 60.915 53.239 102 1HB LEU 14 1HB LEU 14 109.599 59.618 53.613 103 2HB LEU 14 2HB LEU 14 109.289 60.490 52.111 104 HG LEU 14 HG LEU 14 111.860 59.497 51.761 105 1HD1 LEU 14 1HD1 LEU 14 110.108 57.412 53.099 106 2HD1 LEU 14 2HD1 LEU 14 111.636 57.082 52.283 107 3HD1 LEU 14 3HD1 LEU 14 111.613 58.069 53.744 108 1HD2 LEU 14 1HD2 LEU 14 109.977 59.601 50.120 109 2HD2 LEU 14 2HD2 LEU 14 110.798 58.041 50.109 110 3HD2 LEU 14 3HD2 LEU 14 109.242 58.211 50.920 111 H LEU 15 H LEU 15 108.828 62.533 52.693 112 HA LEU 15 HA LEU 15 109.550 63.923 50.333 113 1HB LEU 15 1HB LEU 15 107.663 64.685 52.589 114 2HB LEU 15 2HB LEU 15 107.629 65.376 50.967 115 HG LEU 15 HG LEU 15 107.185 62.460 51.682 116 1HD1 LEU 15 1HD1 LEU 15 105.435 64.786 51.214 117 2HD1 LEU 15 2HD1 LEU 15 104.998 63.352 50.288 118 3HD1 LEU 15 3HD1 LEU 15 105.094 63.270 52.047 119 1HD2 LEU 15 1HD2 LEU 15 107.274 63.894 49.008 120 2HD2 LEU 15 2HD2 LEU 15 108.345 62.601 49.551 121 3HD2 LEU 15 3HD2 LEU 15 106.644 62.261 49.229 122 H GLN 16 H GLN 16 109.879 64.903 53.759 123 HA GLN 16 HA GLN 16 110.757 67.549 53.462 124 1HB GLN 16 1HB GLN 16 110.789 65.421 55.401 125 2HB GLN 16 2HB GLN 16 112.339 66.264 55.447 126 1HG GLN 16 1HG GLN 16 110.950 67.480 56.935 127 2HG GLN 16 2HG GLN 16 110.967 68.434 55.450 128 1HE2 GLN 16 2HE2 GLN 16 108.823 67.935 57.684 129 2HE2 GLN 16 1HE2 GLN 16 107.422 67.585 56.795 130 H GLY 17 H GLY 17 112.635 64.531 53.158 131 1HA GLY 17 1HA GLY 17 115.206 65.682 52.831 132 2HA GLY 17 2HA GLY 17 114.709 64.141 52.123 133 H TYR 18 H TYR 18 113.008 64.565 50.218 134 HA TYR 18 HA TYR 18 114.317 65.647 48.017 135 1HB TYR 18 1HB TYR 18 112.103 64.264 48.389 136 2HB TYR 18 2HB TYR 18 111.334 65.851 48.319 137 HD1 TYR 18 HD1 TYR 18 114.343 64.545 46.488 138 HD2 TYR 18 HD2 TYR 18 110.272 65.962 46.227 139 HE1 TYR 18 HE1 TYR 18 114.488 64.518 43.994 140 HE2 TYR 18 HE2 TYR 18 110.414 65.934 43.742 141 HH TYR 18 HH TYR 18 111.693 65.473 41.963 142 H THR 19 H THR 19 111.903 67.328 50.088 143 HA THR 19 HA THR 19 111.815 69.819 48.775 144 HB THR 19 HB THR 19 112.005 69.633 51.773 145 HG1 THR 19 HG1 THR 19 109.931 68.687 51.762 146 1HG2 THR 19 1HG2 THR 19 110.590 71.228 49.716 147 2HG2 THR 19 2HG2 THR 19 109.659 70.848 51.165 148 3HG2 THR 19 3HG2 THR 19 111.190 71.712 51.301 149 H VAL 20 H VAL 20 114.016 68.858 51.430 150 HA VAL 20 HA VAL 20 115.724 71.156 51.312 151 HB VAL 20 HB VAL 20 115.836 68.307 52.297 152 1HG1 VAL 20 1HG1 VAL 20 118.176 70.240 52.321 153 2HG1 VAL 20 2HG1 VAL 20 118.089 68.762 53.280 154 3HG1 VAL 20 3HG1 VAL 20 118.118 68.667 51.516 155 1HG2 VAL 20 1HG2 VAL 20 115.775 71.071 53.480 156 2HG2 VAL 20 2HG2 VAL 20 114.709 69.702 53.801 157 3HG2 VAL 20 3HG2 VAL 20 116.353 69.712 54.444 158 H GLU 21 H GLU 21 115.853 67.951 49.814 159 HA GLU 21 HA GLU 21 118.266 68.035 48.413 160 1HB GLU 21 1HB GLU 21 115.965 66.478 48.590 161 2HB GLU 21 2HB GLU 21 116.014 66.948 46.892 162 1HG GLU 21 1HG GLU 21 117.780 65.630 46.479 163 2HG GLU 21 2HG GLU 21 118.633 66.199 47.921 164 H VAL 22 H VAL 22 115.110 68.756 46.910 165 HA VAL 22 HA VAL 22 116.095 69.916 44.540 166 HB VAL 22 HB VAL 22 113.583 70.686 46.063 167 1HG1 VAL 22 1HG1 VAL 22 114.473 71.812 43.825 168 2HG1 VAL 22 2HG1 VAL 22 113.793 70.356 43.097 169 3HG1 VAL 22 3HG1 VAL 22 112.762 71.440 44.031 170 1HG2 VAL 22 1HG2 VAL 22 114.429 68.115 45.114 171 2HG2 VAL 22 2HG2 VAL 22 112.877 68.556 45.824 172 3HG2 VAL 22 3HG2 VAL 22 113.116 68.679 44.081 173 H LEU 23 H LEU 23 115.722 71.336 47.745 174 HA LEU 23 HA LEU 23 116.014 74.099 46.906 175 1HB LEU 23 1HB LEU 23 115.696 72.507 49.318 176 2HB LEU 23 2HB LEU 23 116.873 73.798 49.566 177 HG LEU 23 HG LEU 23 114.590 74.578 50.085 178 1HD1 LEU 23 1HD1 LEU 23 116.436 75.972 48.816 179 2HD1 LEU 23 2HD1 LEU 23 115.292 75.888 47.476 180 3HD1 LEU 23 3HD1 LEU 23 114.811 76.629 49.002 181 1HD2 LEU 23 1HD2 LEU 23 113.474 73.002 48.457 182 2HD2 LEU 23 2HD2 LEU 23 112.878 74.659 48.373 183 3HD2 LEU 23 3HD2 LEU 23 114.005 74.064 47.153 184 H ARG 24 H ARG 24 118.234 71.481 47.610 185 HA ARG 24 HA ARG 24 120.554 73.367 47.556 186 1HB ARG 24 1HB ARG 24 119.874 70.768 48.776 187 2HB ARG 24 2HB ARG 24 121.506 70.844 48.110 188 1HG ARG 24 1HG ARG 24 121.628 71.600 50.398 189 2HG ARG 24 2HG ARG 24 121.821 73.016 49.363 190 1HD ARG 24 1HD ARG 24 119.083 72.917 49.665 191 2HD ARG 24 2HD ARG 24 119.658 72.378 51.256 192 HE ARG 24 HE ARG 24 119.970 75.049 50.190 193 1HH1 ARG 24 1HH2 ARG 24 119.955 74.349 53.111 194 2HH1 ARG 24 2HH2 ARG 24 121.600 74.655 53.562 195 1HH2 ARG 24 1HH1 ARG 24 122.768 74.684 50.298 196 2HH2 ARG 24 2HH1 ARG 24 123.191 74.845 51.970 197 H GLN 25 H GLN 25 119.513 70.230 46.168 198 HA GLN 25 HA GLN 25 121.561 70.388 44.063 199 1HB GLN 25 1HB GLN 25 119.880 68.442 45.366 200 2HB GLN 25 2HB GLN 25 119.675 68.311 43.620 201 1HG GLN 25 1HG GLN 25 121.804 67.577 43.293 202 2HG GLN 25 2HG GLN 25 122.466 68.654 44.524 203 1HE2 GLN 25 2HE2 GLN 25 123.050 65.758 44.231 204 2HE2 GLN 25 1HE2 GLN 25 122.547 65.025 45.677 205 H GLN 26 H GLN 26 119.931 72.602 43.774 206 HA GLN 26 HA GLN 26 117.575 72.678 42.390 207 1HB GLN 26 1HB GLN 26 120.041 74.220 42.525 208 2HB GLN 26 2HB GLN 26 119.254 74.400 40.957 209 1HG GLN 26 1HG GLN 26 117.099 74.871 42.186 210 2HG GLN 26 2HG GLN 26 118.032 74.903 43.683 211 1HE2 GLN 26 2HE2 GLN 26 120.338 76.274 42.962 212 2HE2 GLN 26 1HE2 GLN 26 119.950 77.838 42.427 213 HA PRO 27 HA PRO 27 118.892 70.145 38.878 214 1HB PRO 27 1HB PRO 27 116.621 68.632 38.752 215 2HB PRO 27 2HB PRO 27 117.959 68.276 39.860 216 1HG PRO 27 1HG PRO 27 115.299 69.326 40.446 217 2HG PRO 27 2HG PRO 27 116.479 68.579 41.528 218 1HD PRO 27 1HD PRO 27 115.903 71.375 41.169 219 2HD PRO 27 2HD PRO 27 117.025 70.622 42.317 220 HA PRO 28 HA PRO 28 116.675 72.489 35.857 221 1HB PRO 28 1HB PRO 28 117.002 70.893 33.654 222 2HB PRO 28 2HB PRO 28 118.310 71.888 34.328 223 1HG PRO 28 1HG PRO 28 117.787 68.974 34.658 224 2HG PRO 28 2HG PRO 28 119.324 69.828 34.441 225 1HD PRO 28 1HD PRO 28 118.451 68.937 36.855 226 2HD PRO 28 2HD PRO 28 119.492 70.364 36.664 227 H ASP 29 H ASP 29 115.953 69.093 36.374 228 HA ASP 29 HA ASP 29 113.087 69.636 35.710 229 1HB ASP 29 1HB ASP 29 114.973 67.530 34.679 230 2HB ASP 29 2HB ASP 29 113.249 67.172 34.795 231 H LEU 30 H LEU 30 112.028 69.273 37.623 232 HA LEU 30 HA LEU 30 113.113 67.746 39.810 233 1HB LEU 30 1HB LEU 30 111.289 69.656 39.590 234 2HB LEU 30 2HB LEU 30 110.183 68.289 39.452 235 HG LEU 30 HG LEU 30 112.055 67.819 41.599 236 1HD1 LEU 30 1HD1 LEU 30 110.551 70.445 41.609 237 2HD1 LEU 30 2HD1 LEU 30 111.111 69.660 43.086 238 3HD1 LEU 30 3HD1 LEU 30 112.276 70.189 41.872 239 1HD2 LEU 30 1HD2 LEU 30 109.056 68.281 41.508 240 2HD2 LEU 30 2HD2 LEU 30 109.869 66.724 41.345 241 3HD2 LEU 30 3HD2 LEU 30 109.935 67.598 42.875 242 H VAL 31 H VAL 31 110.743 66.988 37.261 243 HA VAL 31 HA VAL 31 109.760 64.517 38.194 244 HB VAL 31 HB VAL 31 110.531 65.287 35.358 245 1HG1 VAL 31 1HG1 VAL 31 109.767 62.884 35.944 246 2HG1 VAL 31 2HG1 VAL 31 108.187 63.604 36.249 247 3HG1 VAL 31 3HG1 VAL 31 108.912 63.714 34.645 248 1HG2 VAL 31 1HG2 VAL 31 108.437 66.256 37.224 249 2HG2 VAL 31 2HG2 VAL 31 109.148 67.053 35.821 250 3HG2 VAL 31 3HG2 VAL 31 107.875 65.853 35.601 251 H ASP 32 H ASP 32 112.370 64.831 35.771 252 HA ASP 32 HA ASP 32 113.327 62.175 35.951 253 1HB ASP 32 1HB ASP 32 113.782 64.270 34.383 254 2HB ASP 32 2HB ASP 32 115.161 64.496 35.461 255 H PHE 33 H PHE 33 114.110 65.046 37.885 256 HA PHE 33 HA PHE 33 116.364 63.928 39.283 257 1HB PHE 33 1HB PHE 33 115.847 66.328 39.156 258 2HB PHE 33 2HB PHE 33 114.336 66.064 40.027 259 HD1 PHE 33 HD1 PHE 33 118.009 65.278 40.396 260 HD2 PHE 33 HD2 PHE 33 114.332 66.454 42.331 261 HE1 PHE 33 HE1 PHE 33 119.215 65.480 42.568 262 HE2 PHE 33 HE2 PHE 33 115.539 66.653 44.502 263 HZ PHE 33 HZ PHE 33 117.979 66.167 44.620 264 H ALA 34 H ALA 34 112.880 64.103 40.061 265 HA ALA 34 HA ALA 34 113.013 62.838 42.623 266 1HB ALA 34 1HB ALA 34 111.091 63.839 40.768 267 2HB ALA 34 2HB ALA 34 110.594 62.203 41.201 268 3HB ALA 34 3HB ALA 34 110.833 63.415 42.460 269 H VAL 35 H VAL 35 112.948 61.550 39.339 270 HA VAL 35 HA VAL 35 112.401 58.803 40.113 271 HB VAL 35 HB VAL 35 113.504 60.148 37.627 272 1HG1 VAL 35 1HG1 VAL 35 113.022 57.316 38.326 273 2HG1 VAL 35 2HG1 VAL 35 112.372 57.833 36.771 274 3HG1 VAL 35 3HG1 VAL 35 114.093 58.010 37.111 275 1HG2 VAL 35 1HG2 VAL 35 111.187 60.777 38.334 276 2HG2 VAL 35 2HG2 VAL 35 111.221 59.921 36.793 277 3HG2 VAL 35 3HG2 VAL 35 110.738 59.074 38.262 278 H GLU 36 H GLU 36 115.333 60.569 39.044 279 HA GLU 36 HA GLU 36 117.165 58.408 39.229 280 1HB GLU 36 1HB GLU 36 117.398 61.409 39.566 281 2HB GLU 36 2HB GLU 36 118.807 60.347 39.513 282 1HG GLU 36 1HG GLU 36 116.868 59.861 37.351 283 2HG GLU 36 2HG GLU 36 117.608 61.462 37.303 284 H TYR 37 H TYR 37 115.745 60.425 41.729 285 HA TYR 37 HA TYR 37 117.693 59.729 43.790 286 1HB TYR 37 1HB TYR 37 116.433 61.823 43.814 287 2HB TYR 37 2HB TYR 37 114.908 60.937 43.833 288 HD1 TYR 37 HD1 TYR 37 118.068 60.225 45.727 289 HD2 TYR 37 HD2 TYR 37 113.938 61.467 45.930 290 HE1 TYR 37 HE1 TYR 37 118.157 60.115 48.216 291 HE2 TYR 37 HE2 TYR 37 114.027 61.357 48.419 292 HH TYR 37 HH TYR 37 116.768 59.976 50.107 293 H PHE 38 H PHE 38 114.170 59.068 43.717 294 HA PHE 38 HA PHE 38 114.209 56.968 45.613 295 1HB PHE 38 1HB PHE 38 112.405 57.638 43.275 296 2HB PHE 38 2HB PHE 38 112.009 56.389 44.458 297 HD1 PHE 38 HD1 PHE 38 112.942 57.485 46.995 298 HD2 PHE 38 HD2 PHE 38 111.000 59.484 43.695 299 HE1 PHE 38 HE1 PHE 38 112.089 59.232 48.554 300 HE2 PHE 38 HE2 PHE 38 110.147 61.230 45.255 301 HZ PHE 38 HZ PHE 38 110.691 61.105 47.685 302 H THR 39 H THR 39 114.382 56.771 42.036 303 HA THR 39 HA THR 39 114.395 53.970 41.737 304 HB THR 39 HB THR 39 115.970 56.106 40.262 305 HG1 THR 39 HG1 THR 39 114.064 55.756 38.831 306 1HG2 THR 39 1HG2 THR 39 115.657 53.207 39.880 307 2HG2 THR 39 2HG2 THR 39 115.284 54.162 38.445 308 3HG2 THR 39 3HG2 THR 39 116.864 54.306 39.213 309 H ARG 40 H ARG 40 117.147 56.153 42.408 310 HA ARG 40 HA ARG 40 119.169 54.111 42.417 311 1HB ARG 40 1HB ARG 40 119.311 56.690 42.284 312 2HB ARG 40 2HB ARG 40 119.177 56.659 44.042 313 1HG ARG 40 1HG ARG 40 121.253 55.705 44.324 314 2HG ARG 40 2HG ARG 40 121.173 54.827 42.797 315 1HD ARG 40 1HD ARG 40 122.747 56.480 42.275 316 2HD ARG 40 2HD ARG 40 121.249 57.289 41.772 317 HE ARG 40 HE ARG 40 121.940 57.658 44.603 318 1HH1 ARG 40 1HH1 ARG 40 120.381 59.462 42.607 319 2HH1 ARG 40 2HH1 ARG 40 121.463 60.810 42.509 320 1HH2 ARG 40 1HH2 ARG 40 124.124 59.115 43.952 321 2HH2 ARG 40 2HH2 ARG 40 123.584 60.614 43.272 322 H LEU 41 H LEU 41 116.955 55.330 44.893 323 HA LEU 41 HA LEU 41 118.229 54.161 47.184 324 1HB LEU 41 1HB LEU 41 115.682 55.410 46.408 325 2HB LEU 41 2HB LEU 41 115.506 54.217 47.695 326 HG LEU 41 HG LEU 41 117.601 55.420 48.722 327 1HD1 LEU 41 1HD1 LEU 41 116.495 57.440 46.761 328 2HD1 LEU 41 2HD1 LEU 41 117.430 57.915 48.180 329 3HD1 LEU 41 3HD1 LEU 41 118.166 56.903 46.938 330 1HD2 LEU 41 1HD2 LEU 41 114.712 56.146 48.752 331 2HD2 LEU 41 2HD2 LEU 41 115.752 55.618 50.075 332 3HD2 LEU 41 3HD2 LEU 41 115.822 57.287 49.510 333 H ARG 42 H ARG 42 115.774 52.931 44.912 334 HA ARG 42 HA ARG 42 115.168 50.488 46.251 335 1HB ARG 42 1HB ARG 42 114.879 51.735 43.599 336 2HB ARG 42 2HB ARG 42 114.939 49.972 43.548 337 1HG ARG 42 1HG ARG 42 113.264 50.944 45.732 338 2HG ARG 42 2HG ARG 42 112.700 51.512 44.160 339 1HD ARG 42 1HD ARG 42 112.061 49.419 43.507 340 2HD ARG 42 2HD ARG 42 113.506 48.665 44.209 341 HE ARG 42 HE ARG 42 111.678 49.708 46.230 342 1HH1 ARG 42 1HH1 ARG 42 113.337 47.309 46.704 343 2HH1 ARG 42 2HH1 ARG 42 112.194 46.015 46.573 344 1HH2 ARG 42 1HH2 ARG 42 109.804 47.938 44.957 345 2HH2 ARG 42 2HH2 ARG 42 110.193 46.371 45.584 346 H GLU 43 H GLU 43 117.719 51.307 43.901 347 HA GLU 43 HA GLU 43 118.745 48.583 43.734 348 1HB GLU 43 1HB GLU 43 119.782 51.323 42.947 349 2HB GLU 43 2HB GLU 43 120.607 49.818 42.537 350 1HG GLU 43 1HG GLU 43 118.769 49.061 41.208 351 2HG GLU 43 2HG GLU 43 117.712 50.329 41.825 352 H ALA 44 H ALA 44 119.234 51.299 45.863 353 HA ALA 44 HA ALA 44 121.861 50.744 46.838 354 1HB ALA 44 1HB ALA 44 119.675 52.471 47.354 355 2HB ALA 44 2HB ALA 44 120.062 51.687 48.889 356 3HB ALA 44 3HB ALA 44 121.305 52.589 48.018 357 H ARG 45 H ARG 45 118.798 50.059 48.543 358 HA ARG 45 HA ARG 45 119.760 48.372 50.523 359 1HB ARG 45 1HB ARG 45 117.458 49.249 50.299 360 2HB ARG 45 2HB ARG 45 117.175 48.148 48.950 361 1HG ARG 45 1HG ARG 45 116.380 46.755 50.570 362 2HG ARG 45 2HG ARG 45 118.088 46.408 50.842 363 1HD ARG 45 1HD ARG 45 117.427 46.991 53.006 364 2HD ARG 45 2HD ARG 45 117.912 48.584 52.390 365 HE ARG 45 HE ARG 45 115.417 48.749 51.655 366 1HH1 ARG 45 1HH2 ARG 45 116.230 49.181 54.635 367 2HH1 ARG 45 2HH2 ARG 45 114.927 48.353 55.420 368 1HH2 ARG 45 1HH1 ARG 45 113.877 46.725 52.545 369 2HH2 ARG 45 2HH1 ARG 45 113.594 46.961 54.236 370 H ARG 46 H ARG 46 120.683 46.349 50.512 371 HA ARG 46 HA ARG 46 121.470 44.281 49.679 372 1HB ARG 46 1HB ARG 46 118.737 44.406 49.584 373 2HB ARG 46 2HB ARG 46 119.116 44.018 47.905 374 1HG ARG 46 1HG ARG 46 118.947 41.903 48.944 375 2HG ARG 46 2HG ARG 46 120.684 42.207 48.891 376 1HD ARG 46 1HD ARG 46 120.828 42.578 51.182 377 2HD ARG 46 2HD ARG 46 119.144 43.127 51.300 378 HE ARG 46 HE ARG 46 118.713 40.587 50.572 379 1HH1 ARG 46 1HH1 ARG 46 121.665 40.118 51.329 380 2HH1 ARG 46 2HH1 ARG 46 121.483 39.482 52.930 381 1HH2 ARG 46 1HH2 ARG 46 118.195 40.530 53.259 382 2HH2 ARG 46 2HH2 ARG 46 119.519 39.717 54.023 383 1H HIS 1 1H HIS 1 120.767 94.087 51.556 384 2H HIS 1 2H HIS 1 121.604 92.846 50.759 385 3H HIS 1 3H HIS 1 120.315 93.635 49.982 386 HA HIS 1 HA HIS 1 119.644 91.434 50.802 387 1HB HIS 1 1HB HIS 1 120.769 92.728 53.277 388 2HB HIS 1 2HB HIS 1 119.558 91.454 53.427 389 HD1 HIS 1 HD1 HIS 1 120.316 89.455 51.356 390 HD2 HIS 1 HD2 HIS 1 123.204 91.466 53.592 391 HE1 HIS 1 HE1 HIS 1 122.410 88.034 51.265 392 H MET 2 H MET 2 117.668 92.228 49.940 393 HA MET 2 HA MET 2 116.160 94.342 51.303 394 1HB MET 2 1HB MET 2 116.239 93.893 48.820 395 2HB MET 2 2HB MET 2 115.332 92.409 49.117 396 1HG MET 2 1HG MET 2 113.442 93.621 49.948 397 2HG MET 2 2HG MET 2 114.359 95.125 50.030 398 1HE MET 2 1HE MET 2 114.996 96.463 48.595 399 2HE MET 2 2HE MET 2 115.565 95.945 47.011 400 3HE MET 2 3HE MET 2 114.077 96.879 47.141 401 H GLY 3 H GLY 3 116.235 90.827 51.274 402 1HA GLY 3 1HA GLY 3 114.556 90.695 53.638 403 2HA GLY 3 2HA GLY 3 113.711 90.118 52.202 404 H HIS 4 H HIS 4 113.668 87.940 52.943 405 HA HIS 4 HA HIS 4 116.176 86.458 52.445 406 1HB HIS 4 1HB HIS 4 116.048 85.388 54.695 407 2HB HIS 4 2HB HIS 4 116.315 87.128 54.806 408 HD1 HIS 4 HD1 HIS 4 114.355 88.592 55.673 409 HD2 HIS 4 HD2 HIS 4 113.475 84.518 55.567 410 HE1 HIS 4 HE1 HIS 4 112.208 88.289 56.983 411 H ILE 5 H ILE 5 113.551 86.569 51.157 412 HA ILE 5 HA ILE 5 112.465 83.854 51.815 413 HB ILE 5 HB ILE 5 110.968 85.827 52.084 414 1HG1 ILE 5 1HG1 ILE 5 109.614 84.721 49.790 415 2HG1 ILE 5 2HG1 ILE 5 110.472 83.435 50.641 416 1HG2 ILE 5 1HG2 ILE 5 112.229 86.715 49.765 417 2HG2 ILE 5 2HG2 ILE 5 110.613 86.276 49.216 418 3HG2 ILE 5 3HG2 ILE 5 110.813 87.450 50.516 419 1HD1 ILE 5 1HD1 ILE 5 108.854 85.432 52.199 420 2HD1 ILE 5 2HD1 ILE 5 108.049 84.078 51.407 421 3HD1 ILE 5 3HD1 ILE 5 109.286 83.777 52.627 422 H GLN 6 H GLN 6 112.594 82.291 50.233 423 HA GLN 6 HA GLN 6 112.869 83.041 47.391 424 1HB GLN 6 1HB GLN 6 115.038 81.788 47.234 425 2HB GLN 6 2HB GLN 6 115.150 83.233 48.239 426 1HG GLN 6 1HG GLN 6 114.769 81.799 50.255 427 2HG GLN 6 2HG GLN 6 114.820 80.380 49.210 428 1HE2 GLN 6 2HE2 GLN 6 116.928 80.798 47.528 429 2HE2 GLN 6 1HE2 GLN 6 118.369 81.050 48.386 430 H ILE 7 H ILE 7 110.743 81.678 48.426 431 HA ILE 7 HA ILE 7 111.282 78.818 47.685 432 HB ILE 7 HB ILE 7 109.314 80.016 49.662 433 1HG1 ILE 7 1HG1 ILE 7 111.662 80.058 50.433 434 2HG1 ILE 7 2HG1 ILE 7 110.721 78.877 51.345 435 1HG2 ILE 7 1HG2 ILE 7 109.754 77.245 48.594 436 2HG2 ILE 7 2HG2 ILE 7 109.211 77.452 50.258 437 3HG2 ILE 7 3HG2 ILE 7 108.238 78.080 48.928 438 1HD1 ILE 7 1HD1 ILE 7 111.663 77.463 49.119 439 2HD1 ILE 7 2HD1 ILE 7 113.032 78.449 49.636 440 3HD1 ILE 7 3HD1 ILE 7 112.265 77.340 50.773 441 HA PRO 8 HA PRO 8 108.277 80.409 44.635 442 1HB PRO 8 1HB PRO 8 109.039 78.726 42.621 443 2HB PRO 8 2HB PRO 8 109.865 80.260 42.965 444 1HG PRO 8 1HG PRO 8 110.645 77.486 43.687 445 2HG PRO 8 2HG PRO 8 111.654 78.849 43.182 446 1HD PRO 8 1HD PRO 8 111.393 78.027 45.777 447 2HD PRO 8 2HD PRO 8 111.802 79.689 45.301 448 HA PRO 9 HA PRO 9 105.496 77.067 45.561 449 1HB PRO 9 1HB PRO 9 103.361 77.897 44.068 450 2HB PRO 9 2HB PRO 9 103.809 78.649 45.612 451 1HG PRO 9 1HG PRO 9 104.311 79.586 42.837 452 2HG PRO 9 2HG PRO 9 103.910 80.515 44.288 453 1HD PRO 9 1HD PRO 9 106.436 80.310 43.250 454 2HD PRO 9 2HD PRO 9 106.087 80.649 44.958 455 H GLY 10 H GLY 10 103.728 75.838 43.909 456 1HA GLY 10 1HA GLY 10 103.474 74.798 41.730 457 2HA GLY 10 2HA GLY 10 105.149 75.223 41.369 458 H LEU 11 H LEU 11 106.408 74.273 43.691 459 HA LEU 11 HA LEU 11 106.571 71.436 43.103 460 1HB LEU 11 1HB LEU 11 108.295 73.232 44.004 461 2HB LEU 11 2HB LEU 11 107.682 72.723 45.578 462 HG LEU 11 HG LEU 11 108.724 70.811 43.472 463 1HD1 LEU 11 1HD1 LEU 11 110.083 72.413 45.556 464 2HD1 LEU 11 2HD1 LEU 11 110.505 70.701 45.532 465 3HD1 LEU 11 3HD1 LEU 11 110.738 71.688 44.089 466 1HD2 LEU 11 1HD2 LEU 11 107.605 70.571 46.237 467 2HD2 LEU 11 2HD2 LEU 11 107.394 69.505 44.849 468 3HD2 LEU 11 3HD2 LEU 11 108.897 69.467 45.770 469 H THR 12 H THR 12 104.879 73.379 45.496 470 HA THR 12 HA THR 12 104.346 71.327 47.426 471 HB THR 12 HB THR 12 102.692 73.745 46.635 472 HG1 THR 12 HG1 THR 12 104.920 73.449 48.359 473 1HG2 THR 12 1HG2 THR 12 101.701 72.024 48.229 474 2HG2 THR 12 2HG2 THR 12 103.000 72.442 49.346 475 3HG2 THR 12 3HG2 THR 12 101.825 73.665 48.864 476 H GLU 13 H GLU 13 102.416 72.516 44.661 477 HA GLU 13 HA GLU 13 100.169 70.816 44.972 478 1HB GLU 13 1HB GLU 13 100.561 72.805 43.420 479 2HB GLU 13 2HB GLU 13 101.430 71.693 42.361 480 1HG GLU 13 1HG GLU 13 99.519 70.568 41.743 481 2HG GLU 13 2HG GLU 13 98.730 70.844 43.296 482 H LEU 14 H LEU 14 103.333 70.205 43.494 483 HA LEU 14 HA LEU 14 102.673 67.705 42.231 484 1HB LEU 14 1HB LEU 14 104.791 69.447 42.331 485 2HB LEU 14 2HB LEU 14 105.407 68.099 43.287 486 HG LEU 14 HG LEU 14 104.183 66.851 41.127 487 1HD1 LEU 14 1HD1 LEU 14 105.687 69.316 40.196 488 2HD1 LEU 14 2HD1 LEU 14 105.163 67.994 39.153 489 3HD1 LEU 14 3HD1 LEU 14 103.968 69.004 39.966 490 1HD2 LEU 14 1HD2 LEU 14 106.357 66.304 42.237 491 2HD2 LEU 14 2HD2 LEU 14 106.473 66.293 40.477 492 3HD2 LEU 14 3HD2 LEU 14 107.095 67.666 41.394 493 H LEU 15 H LEU 15 104.516 68.304 45.255 494 HA LEU 15 HA LEU 15 104.599 65.623 46.155 495 1HB LEU 15 1HB LEU 15 104.437 68.229 47.708 496 2HB LEU 15 2HB LEU 15 105.000 66.694 48.367 497 HG LEU 15 HG LEU 15 106.262 68.224 46.070 498 1HD1 LEU 15 1HD1 LEU 15 106.719 68.075 48.979 499 2HD1 LEU 15 2HD1 LEU 15 108.169 67.840 48.003 500 3HD1 LEU 15 3HD1 LEU 15 107.214 69.312 47.823 501 1HD2 LEU 15 1HD2 LEU 15 106.951 65.557 47.345 502 2HD2 LEU 15 2HD2 LEU 15 106.482 65.839 45.668 503 3HD2 LEU 15 3HD2 LEU 15 108.031 66.438 46.263 504 H GLN 16 H GLN 16 102.123 68.147 46.718 505 HA GLN 16 HA GLN 16 100.451 66.837 48.546 506 1HB GLN 16 1HB GLN 16 100.371 68.994 46.643 507 2HB GLN 16 2HB GLN 16 98.847 68.108 46.570 508 1HG GLN 16 1HG GLN 16 98.522 69.720 48.278 509 2HG GLN 16 2HG GLN 16 98.856 68.215 49.134 510 1HE2 GLN 16 2HE2 GLN 16 99.462 71.233 49.733 511 2HE2 GLN 16 1HE2 GLN 16 101.101 71.210 50.181 512 H GLY 17 H GLY 17 100.614 66.448 45.005 513 1HA GLY 17 1HA GLY 17 98.410 64.695 44.682 514 2HA GLY 17 2HA GLY 17 99.836 64.702 43.639 515 H TYR 18 H TYR 18 101.870 63.764 44.935 516 HA TYR 18 HA TYR 18 101.588 61.018 45.263 517 1HB TYR 18 1HB TYR 18 103.617 62.699 45.200 518 2HB TYR 18 2HB TYR 18 103.493 62.607 46.957 519 HD1 TYR 18 HD1 TYR 18 102.865 59.970 44.357 520 HD2 TYR 18 HD2 TYR 18 105.306 61.294 47.664 521 HE1 TYR 18 HE1 TYR 18 104.079 57.787 44.339 522 HE2 TYR 18 HE2 TYR 18 106.518 59.119 47.647 523 HH TYR 18 HH TYR 18 106.731 57.124 46.660 524 H THR 19 H THR 19 101.492 63.486 47.878 525 HA THR 19 HA THR 19 101.115 61.799 50.101 526 HB THR 19 HB THR 19 99.494 64.308 49.748 527 HG1 THR 19 HG1 THR 19 101.424 65.493 50.002 528 1HG2 THR 19 1HG2 THR 19 100.869 62.821 51.910 529 2HG2 THR 19 2HG2 THR 19 100.955 64.579 52.014 530 3HG2 THR 19 3HG2 THR 19 99.387 63.776 51.964 531 H VAL 20 H VAL 20 98.571 63.279 48.066 532 HA VAL 20 HA VAL 20 96.361 61.823 49.164 533 HB VAL 20 HB VAL 20 97.047 63.308 46.631 534 1HG1 VAL 20 1HG1 VAL 20 94.476 61.763 47.087 535 2HG1 VAL 20 2HG1 VAL 20 94.697 62.986 45.836 536 3HG1 VAL 20 3HG1 VAL 20 95.648 61.498 45.792 537 1HG2 VAL 20 1HG2 VAL 20 95.221 63.665 48.994 538 2HG2 VAL 20 2HG2 VAL 20 96.442 64.769 48.357 539 3HG2 VAL 20 3HG2 VAL 20 94.916 64.552 47.501 540 H GLU 21 H GLU 21 98.502 61.271 46.399 541 HA GLU 21 HA GLU 21 97.449 58.941 45.277 542 1HB GLU 21 1HB GLU 21 99.725 60.536 45.114 543 2HB GLU 21 2HB GLU 21 100.364 58.953 45.549 544 1HG GLU 21 1HG GLU 21 99.904 58.106 43.527 545 2HG GLU 21 2HG GLU 21 98.274 58.790 43.532 546 H VAL 22 H VAL 22 100.190 58.945 47.563 547 HA VAL 22 HA VAL 22 100.193 56.186 48.129 548 HB VAL 22 HB VAL 22 100.863 58.456 50.029 549 1HG1 VAL 22 1HG1 VAL 22 100.881 55.862 50.609 550 2HG1 VAL 22 2HG1 VAL 22 102.410 55.914 49.733 551 3HG1 VAL 22 3HG1 VAL 22 102.179 56.921 51.162 552 1HG2 VAL 22 1HG2 VAL 22 101.911 57.885 47.420 553 2HG2 VAL 22 2HG2 VAL 22 102.459 59.102 48.570 554 3HG2 VAL 22 3HG2 VAL 22 103.146 57.479 48.612 555 H LEU 23 H LEU 23 98.146 58.741 49.436 556 HA LEU 23 HA LEU 23 97.126 57.214 51.682 557 1HB LEU 23 1HB LEU 23 96.813 59.806 50.401 558 2HB LEU 23 2HB LEU 23 95.250 59.155 50.896 559 HG LEU 23 HG LEU 23 96.274 60.464 52.720 560 1HD1 LEU 23 1HD1 LEU 23 94.974 58.187 53.011 561 2HD1 LEU 23 2HD1 LEU 23 96.540 57.596 53.567 562 3HD1 LEU 23 3HD1 LEU 23 95.756 58.937 54.404 563 1HD2 LEU 23 1HD2 LEU 23 98.644 59.981 51.992 564 2HD2 LEU 23 2HD2 LEU 23 98.371 59.780 53.723 565 3HD2 LEU 23 3HD2 LEU 23 98.463 58.365 52.675 566 H ARG 24 H ARG 24 96.337 57.423 48.276 567 HA ARG 24 HA ARG 24 93.838 55.840 48.706 568 1HB ARG 24 1HB ARG 24 94.862 57.833 46.787 569 2HB ARG 24 2HB ARG 24 93.998 56.491 46.035 570 1HG ARG 24 1HG ARG 24 92.370 58.194 46.547 571 2HG ARG 24 2HG ARG 24 92.134 56.879 47.698 572 1HD ARG 24 1HD ARG 24 93.997 58.435 49.005 573 2HD ARG 24 2HD ARG 24 92.991 59.653 48.193 574 HE ARG 24 HE ARG 24 92.119 57.948 50.362 575 1HH1 ARG 24 1HH2 ARG 24 90.915 60.610 49.670 576 2HH1 ARG 24 2HH2 ARG 24 89.352 60.155 49.076 577 1HH2 ARG 24 1HH1 ARG 24 90.207 56.826 48.611 578 2HH2 ARG 24 2HH1 ARG 24 88.952 58.011 48.478 579 H GLN 25 H GLN 25 96.732 55.914 46.593 580 HA GLN 25 HA GLN 25 96.283 53.134 45.744 581 1HB GLN 25 1HB GLN 25 97.692 55.500 44.897 582 2HB GLN 25 2HB GLN 25 98.816 54.142 44.948 583 1HG GLN 25 1HG GLN 25 97.783 53.055 43.235 584 2HG GLN 25 2HG GLN 25 96.173 53.529 43.780 585 1HE2 GLN 25 2HE2 GLN 25 97.208 53.722 41.005 586 2HE2 GLN 25 1HE2 GLN 25 97.147 55.366 40.589 587 H GLN 26 H GLN 26 96.611 53.101 48.488 588 HA GLN 26 HA GLN 26 99.003 52.993 49.808 589 1HB GLN 26 1HB GLN 26 96.452 51.590 49.860 590 2HB GLN 26 2HB GLN 26 97.759 50.573 50.469 591 1HG GLN 26 1HG GLN 26 98.464 52.499 51.938 592 2HG GLN 26 2HG GLN 26 96.994 53.339 51.439 593 1HE2 GLN 26 2HE2 GLN 26 95.084 51.315 51.455 594 2HE2 GLN 26 1HE2 GLN 26 94.935 50.661 53.015 595 HA PRO 27 HA PRO 27 101.033 50.012 47.070 596 1HB PRO 27 1HB PRO 27 103.423 51.331 46.942 597 2HB PRO 27 2HB PRO 27 102.038 51.741 45.914 598 1HG PRO 27 1HG PRO 27 103.178 53.214 48.162 599 2HG PRO 27 2HG PRO 27 102.097 53.772 46.879 600 1HD PRO 27 1HD PRO 27 101.437 53.048 49.585 601 2HD PRO 27 2HD PRO 27 100.365 53.690 48.326 602 HA PRO 28 HA PRO 28 103.156 47.894 50.317 603 1HB PRO 28 1HB PRO 28 104.797 46.258 48.855 604 2HB PRO 28 2HB PRO 28 103.051 45.981 49.016 605 1HG PRO 28 1HG PRO 28 104.570 47.216 46.772 606 2HG PRO 28 2HG PRO 28 103.188 46.109 46.725 607 1HD PRO 28 1HD PRO 28 102.957 48.788 46.326 608 2HD PRO 28 2HD PRO 28 101.660 47.793 47.024 609 H ASP 29 H ASP 29 104.946 49.495 47.756 610 HA ASP 29 HA ASP 29 107.115 50.129 49.716 611 1HB ASP 29 1HB ASP 29 107.247 48.891 46.976 612 2HB ASP 29 2HB ASP 29 108.592 49.877 47.550 613 H LEU 30 H LEU 30 107.042 52.337 49.886 614 HA LEU 30 HA LEU 30 105.804 54.073 47.949 615 1HB LEU 30 1HB LEU 30 106.376 54.264 50.530 616 2HB LEU 30 2HB LEU 30 107.865 54.994 49.928 617 HG LEU 30 HG LEU 30 105.599 56.065 48.497 618 1HD1 LEU 30 1HD1 LEU 30 105.500 56.136 51.522 619 2HD1 LEU 30 2HD1 LEU 30 104.673 57.322 50.511 620 3HD1 LEU 30 3HD1 LEU 30 104.229 55.618 50.413 621 1HD2 LEU 30 1HD2 LEU 30 107.605 57.271 50.431 622 2HD2 LEU 30 2HD2 LEU 30 107.808 57.132 48.685 623 3HD2 LEU 30 3HD2 LEU 30 106.564 58.192 49.347 624 H VAL 31 H VAL 31 109.194 53.184 48.595 625 HA VAL 31 HA VAL 31 110.532 55.043 46.954 626 HB VAL 31 HB VAL 31 111.109 52.081 47.309 627 1HG1 VAL 31 1HG1 VAL 31 112.440 53.519 45.618 628 2HG1 VAL 31 2HG1 VAL 31 113.098 54.338 47.035 629 3HG1 VAL 31 3HG1 VAL 31 113.363 52.609 46.813 630 1HG2 VAL 31 1HG2 VAL 31 111.209 54.403 49.153 631 2HG2 VAL 31 2HG2 VAL 31 111.069 52.683 49.518 632 3HG2 VAL 31 3HG2 VAL 31 112.647 53.381 49.149 633 H ASP 32 H ASP 32 109.771 51.694 45.961 634 HA ASP 32 HA ASP 32 110.188 52.055 43.185 635 1HB ASP 32 1HB ASP 32 109.735 49.995 44.800 636 2HB ASP 32 2HB ASP 32 108.072 50.219 44.254 637 H PHE 33 H PHE 33 107.313 52.636 45.185 638 HA PHE 33 HA PHE 33 105.458 53.053 43.024 639 1HB PHE 33 1HB PHE 33 104.812 52.595 45.350 640 2HB PHE 33 2HB PHE 33 105.567 54.101 45.873 641 HD1 PHE 33 HD1 PHE 33 103.074 52.904 43.308 642 HD2 PHE 33 HD2 PHE 33 104.191 55.973 46.132 643 HE1 PHE 33 HE1 PHE 33 100.974 54.144 42.792 644 HE2 PHE 33 HE2 PHE 33 102.092 57.213 45.614 645 HZ PHE 33 HZ PHE 33 100.483 56.298 43.946 646 H ALA 34 H ALA 34 107.494 55.286 44.930 647 HA ALA 34 HA ALA 34 106.622 57.717 43.696 648 1HB ALA 34 1HB ALA 34 108.534 56.785 45.597 649 2HB ALA 34 2HB ALA 34 109.399 57.790 44.435 650 3HB ALA 34 3HB ALA 34 108.020 58.448 45.314 651 H VAL 35 H VAL 35 108.972 55.270 42.733 652 HA VAL 35 HA VAL 35 110.200 56.852 40.630 653 HB VAL 35 HB VAL 35 110.092 53.895 41.304 654 1HG1 VAL 35 1HG1 VAL 35 111.363 55.404 39.098 655 2HG1 VAL 35 2HG1 VAL 35 112.400 54.242 39.924 656 3HG1 VAL 35 3HG1 VAL 35 110.894 53.706 39.180 657 1HG2 VAL 35 1HG2 VAL 35 111.114 55.417 43.006 658 2HG2 VAL 35 2HG2 VAL 35 112.283 54.298 42.304 659 3HG2 VAL 35 3HG2 VAL 35 112.246 55.981 41.777 660 H GLU 36 H GLU 36 107.844 54.149 40.675 661 HA GLU 36 HA GLU 36 107.397 53.987 37.875 662 1HB GLU 36 1HB GLU 36 105.696 53.434 40.318 663 2HB GLU 36 2HB GLU 36 105.186 52.995 38.688 664 1HG GLU 36 1HG GLU 36 107.935 52.171 39.337 665 2HG GLU 36 2HG GLU 36 106.702 51.396 40.331 666 H TYR 37 H TYR 37 106.203 56.279 40.256 667 HA TYR 37 HA TYR 37 104.032 57.305 38.594 668 1HB TYR 37 1HB TYR 37 103.984 57.396 41.036 669 2HB TYR 37 2HB TYR 37 105.475 58.334 41.057 670 HD1 TYR 37 HD1 TYR 37 102.522 58.657 38.767 671 HD2 TYR 37 HD2 TYR 37 104.841 60.443 41.942 672 HE1 TYR 37 HE1 TYR 37 101.205 60.762 38.545 673 HE2 TYR 37 HE2 TYR 37 103.524 62.547 41.719 674 HH TYR 37 HH TYR 37 101.283 63.049 39.075 675 H PHE 38 H PHE 38 106.920 59.029 39.835 676 HA PHE 38 HA PHE 38 106.841 61.144 37.957 677 1HB PHE 38 1HB PHE 38 109.071 59.831 39.530 678 2HB PHE 38 2HB PHE 38 109.298 61.328 38.622 679 HD1 PHE 38 HD1 PHE 38 106.806 62.786 39.003 680 HD2 PHE 38 HD2 PHE 38 109.026 60.383 41.821 681 HE1 PHE 38 HE1 PHE 38 105.815 64.082 40.888 682 HE2 PHE 38 HE2 PHE 38 108.035 61.678 43.705 683 HZ PHE 38 HZ PHE 38 106.429 63.528 43.240 684 H THR 39 H THR 39 108.683 58.072 37.811 685 HA THR 39 HA THR 39 110.092 58.499 35.411 686 HB THR 39 HB THR 39 108.764 55.988 36.484 687 HG1 THR 39 HG1 THR 39 111.049 55.739 37.206 688 1HG2 THR 39 1HG2 THR 39 110.496 56.518 34.167 689 2HG2 THR 39 2HG2 THR 39 111.085 55.234 35.223 690 3HG2 THR 39 3HG2 THR 39 109.474 55.123 34.514 691 H ARG 40 H ARG 40 106.766 57.259 35.852 692 HA ARG 40 HA ARG 40 106.224 56.829 33.062 693 1HB ARG 40 1HB ARG 40 105.023 56.015 35.205 694 2HB ARG 40 2HB ARG 40 104.214 57.583 35.190 695 1HG ARG 40 1HG ARG 40 102.999 57.096 33.295 696 2HG ARG 40 2HG ARG 40 104.253 56.044 32.635 697 1HD ARG 40 1HD ARG 40 102.635 54.470 33.262 698 2HD ARG 40 2HD ARG 40 103.618 54.535 34.739 699 HE ARG 40 HE ARG 40 101.475 56.539 34.616 700 1HH1 ARG 40 1HH1 ARG 40 102.830 55.111 37.023 701 2HH1 ARG 40 2HH1 ARG 40 101.488 54.196 37.625 702 1HH2 ARG 40 1HH2 ARG 40 99.577 54.611 34.763 703 2HH2 ARG 40 2HH2 ARG 40 99.647 53.914 36.347 704 H LEU 41 H LEU 41 105.975 59.665 35.162 705 HA LEU 41 HA LEU 41 104.385 61.310 33.431 706 1HB LEU 41 1HB LEU 41 106.065 61.523 35.833 707 2HB LEU 41 2HB LEU 41 106.059 62.994 34.859 708 HG LEU 41 HG LEU 41 103.462 62.602 34.783 709 1HD1 LEU 41 1HD1 LEU 41 104.378 60.950 37.146 710 2HD1 LEU 41 2HD1 LEU 41 102.746 61.606 37.029 711 3HD1 LEU 41 3HD1 LEU 41 103.323 60.456 35.822 712 1HD2 LEU 41 1HD2 LEU 41 105.210 63.786 36.886 713 2HD2 LEU 41 2HD2 LEU 41 104.005 64.563 35.859 714 3HD2 LEU 41 3HD2 LEU 41 103.495 63.639 37.273 715 H ARG 42 H ARG 42 107.902 60.814 33.708 716 HA ARG 42 HA ARG 42 108.743 62.834 31.879 717 1HB ARG 42 1HB ARG 42 109.775 60.406 33.186 718 2HB ARG 42 2HB ARG 42 110.556 60.763 31.645 719 1HG ARG 42 1HG ARG 42 110.182 63.162 33.263 720 2HG ARG 42 2HG ARG 42 111.159 61.949 34.092 721 1HD ARG 42 1HD ARG 42 112.904 62.199 32.641 722 2HD ARG 42 2HD ARG 42 111.830 62.317 31.232 723 HE ARG 42 HE ARG 42 111.628 64.624 33.005 724 1HH1 ARG 42 1HH1 ARG 42 111.262 64.849 30.078 725 2HH1 ARG 42 2HH1 ARG 42 112.740 65.587 29.561 726 1HH2 ARG 42 1HH2 ARG 42 114.445 64.845 32.487 727 2HH2 ARG 42 2HH2 ARG 42 114.542 65.586 30.925 728 H GLU 43 H GLU 43 107.760 59.448 31.351 729 HA GLU 43 HA GLU 43 108.336 59.500 28.494 730 1HB GLU 43 1HB GLU 43 106.762 57.675 30.335 731 2HB GLU 43 2HB GLU 43 107.061 57.315 28.634 732 1HG GLU 43 1HG GLU 43 109.426 57.218 28.971 733 2HG GLU 43 2HG GLU 43 109.293 57.926 30.581 734 H ALA 44 H ALA 44 105.642 60.423 30.506 735 HA ALA 44 HA ALA 44 103.485 60.169 28.650 736 1HB ALA 44 1HB ALA 44 104.008 61.196 31.236 737 2HB ALA 44 2HB ALA 44 103.288 62.521 30.316 738 3HB ALA 44 3HB ALA 44 102.432 60.985 30.474 739 H ARG 45 H ARG 45 105.119 63.207 29.575 740 HA ARG 45 HA ARG 45 104.145 64.862 27.571 741 1HB ARG 45 1HB ARG 45 105.527 65.524 29.512 742 2HB ARG 45 2HB ARG 45 106.936 64.777 28.758 743 1HG ARG 45 1HG ARG 45 107.293 66.866 27.921 744 2HG ARG 45 2HG ARG 45 106.074 66.392 26.736 745 1HD ARG 45 1HD ARG 45 105.153 68.397 27.506 746 2HD ARG 45 2HD ARG 45 104.408 67.256 28.645 747 HE ARG 45 HE ARG 45 106.523 67.747 30.087 748 1HH1 ARG 45 1HH2 ARG 45 104.181 69.804 29.950 749 2HH1 ARG 45 2HH2 ARG 45 105.086 71.279 29.882 750 1HH2 ARG 45 1HH1 ARG 45 108.083 69.715 29.110 751 2HH2 ARG 45 2HH1 ARG 45 107.296 71.229 29.405 752 H ARG 46 H ARG 46 104.400 64.921 25.362 753 HA ARG 46 HA ARG 46 105.201 64.354 23.211 754 1HB ARG 46 1HB ARG 46 107.174 65.503 24.726 755 2HB ARG 46 2HB ARG 46 107.948 63.993 24.245 756 1HG ARG 46 1HG ARG 46 108.481 65.481 22.490 757 2HG ARG 46 2HG ARG 46 107.118 64.556 21.861 758 1HD ARG 46 1HD ARG 46 105.643 66.347 22.037 759 2HD ARG 46 2HD ARG 46 106.553 67.095 23.365 760 HE ARG 46 HE ARG 46 108.389 67.298 21.428 761 1HH1 ARG 46 1HH1 ARG 46 106.067 66.690 19.490 762 2HH1 ARG 46 2HH1 ARG 46 105.649 68.294 18.987 763 1HH2 ARG 46 1HH2 ARG 46 107.390 69.840 21.557 764 2HH2 ARG 46 2HH2 ARG 46 106.398 70.077 20.157 Start of MODEL 8 1 1H HIS 1 1H HIS 1 88.469 42.366 60.024 2 2H HIS 1 2H HIS 1 88.143 41.903 61.627 3 3H HIS 1 3H HIS 1 87.202 43.103 60.883 4 HA HIS 1 HA HIS 1 88.896 44.692 60.979 5 1HB HIS 1 1HB HIS 1 88.429 42.906 63.310 6 2HB HIS 1 2HB HIS 1 89.754 44.059 63.473 7 HD1 HIS 1 HD1 HIS 1 86.167 43.812 63.844 8 HD2 HIS 1 HD2 HIS 1 88.817 46.847 62.772 9 HE1 HIS 1 HE1 HIS 1 84.909 45.992 64.123 10 H MET 2 H MET 2 90.565 44.177 59.403 11 HA MET 2 HA MET 2 93.019 43.021 60.651 12 1HB MET 2 1HB MET 2 93.355 41.715 58.546 13 2HB MET 2 2HB MET 2 91.891 41.238 59.406 14 1HG MET 2 1HG MET 2 90.511 42.559 57.920 15 2HG MET 2 2HG MET 2 91.934 43.251 57.142 16 1HE MET 2 1HE MET 2 93.758 41.968 56.451 17 2HE MET 2 2HE MET 2 93.769 40.364 55.724 18 3HE MET 2 3HE MET 2 93.140 41.733 54.810 19 H GLY 3 H GLY 3 91.906 45.758 59.640 20 1HA GLY 3 1HA GLY 3 94.440 46.623 58.453 21 2HA GLY 3 2HA GLY 3 93.062 46.744 57.359 22 H HIS 4 H HIS 4 94.731 48.874 58.697 23 HA HIS 4 HA HIS 4 92.460 50.345 59.996 24 1HB HIS 4 1HB HIS 4 95.320 49.903 60.767 25 2HB HIS 4 2HB HIS 4 94.574 51.443 61.193 26 HD1 HIS 4 HD1 HIS 4 94.538 47.813 62.021 27 HD2 HIS 4 HD2 HIS 4 92.344 51.214 63.015 28 HE1 HIS 4 HE1 HIS 4 93.115 47.188 64.021 29 H ILE 5 H ILE 5 92.595 52.708 59.706 30 HA ILE 5 HA ILE 5 94.070 53.459 57.205 31 HB ILE 5 HB ILE 5 91.517 54.519 58.461 32 1HG1 ILE 5 1HG1 ILE 5 90.712 53.520 56.131 33 2HG1 ILE 5 2HG1 ILE 5 92.142 52.506 56.333 34 1HG2 ILE 5 1HG2 ILE 5 93.300 55.710 56.592 35 2HG2 ILE 5 2HG2 ILE 5 91.871 55.198 55.693 36 3HG2 ILE 5 3HG2 ILE 5 91.703 56.281 57.075 37 1HD1 ILE 5 1HD1 ILE 5 90.766 52.624 58.840 38 2HD1 ILE 5 2HD1 ILE 5 89.597 52.213 57.586 39 3HD1 ILE 5 3HD1 ILE 5 91.037 51.220 57.809 40 H GLN 6 H GLN 6 95.987 54.257 58.211 41 HA GLN 6 HA GLN 6 95.644 56.851 59.627 42 1HB GLN 6 1HB GLN 6 96.911 54.323 60.669 43 2HB GLN 6 2HB GLN 6 97.448 55.895 61.260 44 1HG GLN 6 1HG GLN 6 94.776 56.238 61.457 45 2HG GLN 6 2HG GLN 6 94.866 54.493 61.695 46 1HE2 GLN 6 2HE2 GLN 6 94.099 55.314 63.982 47 2HE2 GLN 6 1HE2 GLN 6 95.330 55.667 65.097 48 H ILE 7 H ILE 7 97.896 57.898 59.894 49 HA ILE 7 HA ILE 7 99.327 57.692 57.336 50 HB ILE 7 HB ILE 7 99.766 59.397 59.808 51 1HG1 ILE 7 1HG1 ILE 7 97.513 59.696 58.872 52 2HG1 ILE 7 2HG1 ILE 7 98.504 61.114 58.527 53 1HG2 ILE 7 1HG2 ILE 7 101.154 59.142 57.250 54 2HG2 ILE 7 2HG2 ILE 7 100.574 60.784 57.532 55 3HG2 ILE 7 3HG2 ILE 7 101.639 60.010 58.706 56 1HD1 ILE 7 1HD1 ILE 7 99.048 59.596 56.338 57 2HD1 ILE 7 2HD1 ILE 7 97.392 59.091 56.672 58 3HD1 ILE 7 3HD1 ILE 7 97.755 60.793 56.395 59 HA PRO 8 HA PRO 8 102.204 54.837 59.300 60 1HB PRO 8 1HB PRO 8 103.697 54.331 57.067 61 2HB PRO 8 2HB PRO 8 102.130 53.558 57.380 62 1HG PRO 8 1HG PRO 8 102.787 55.851 55.610 63 2HG PRO 8 2HG PRO 8 101.654 54.516 55.354 64 1HD PRO 8 1HD PRO 8 100.883 57.020 56.105 65 2HD PRO 8 2HD PRO 8 99.973 55.549 56.513 66 HA PRO 9 HA PRO 9 105.464 57.731 60.041 67 1HB PRO 9 1HB PRO 9 107.276 56.064 61.231 68 2HB PRO 9 2HB PRO 9 105.809 56.635 62.048 69 1HG PRO 9 1HG PRO 9 106.364 54.010 60.771 70 2HG PRO 9 2HG PRO 9 105.437 54.383 62.232 71 1HD PRO 9 1HD PRO 9 104.309 53.814 59.798 72 2HD PRO 9 2HD PRO 9 103.517 54.775 61.065 73 H GLY 10 H GLY 10 107.346 58.410 58.962 74 1HA GLY 10 1HA GLY 10 109.418 57.966 57.750 75 2HA GLY 10 2HA GLY 10 108.741 56.421 57.236 76 H LEU 11 H LEU 11 106.113 57.955 56.708 77 HA LEU 11 HA LEU 11 106.555 58.382 53.885 78 1HB LEU 11 1HB LEU 11 104.437 57.609 54.848 79 2HB LEU 11 2HB LEU 11 104.283 59.110 55.763 80 HG LEU 11 HG LEU 11 104.369 60.332 53.525 81 1HD1 LEU 11 1HD1 LEU 11 105.317 58.374 52.279 82 2HD1 LEU 11 2HD1 LEU 11 103.770 57.550 52.475 83 3HD1 LEU 11 3HD1 LEU 11 103.865 59.036 51.529 84 1HD2 LEU 11 1HD2 LEU 11 102.270 59.370 54.954 85 2HD2 LEU 11 2HD2 LEU 11 102.078 60.321 53.481 86 3HD2 LEU 11 3HD2 LEU 11 101.987 58.561 53.414 87 H THR 12 H THR 12 105.734 60.670 56.528 88 HA THR 12 HA THR 12 105.942 63.052 54.985 89 HB THR 12 HB THR 12 106.512 62.561 57.924 90 HG1 THR 12 HG1 THR 12 104.490 62.042 57.925 91 1HG2 THR 12 1HG2 THR 12 107.173 64.808 56.994 92 2HG2 THR 12 2HG2 THR 12 105.485 65.052 56.544 93 3HG2 THR 12 3HG2 THR 12 105.929 64.882 58.242 94 H GLU 13 H GLU 13 108.375 61.505 57.104 95 HA GLU 13 HA GLU 13 110.506 63.302 56.752 96 1HB GLU 13 1HB GLU 13 110.345 61.307 58.274 97 2HB GLU 13 2HB GLU 13 110.639 60.273 56.875 98 1HG GLU 13 1HG GLU 13 112.808 61.314 56.502 99 2HG GLU 13 2HG GLU 13 112.511 62.471 57.800 100 H LEU 14 H LEU 14 109.651 60.485 54.714 101 HA LEU 14 HA LEU 14 111.785 60.622 52.866 102 1HB LEU 14 1HB LEU 14 109.163 59.422 53.150 103 2HB LEU 14 2HB LEU 14 109.439 59.898 51.473 104 HG LEU 14 HG LEU 14 111.331 58.226 53.155 105 1HD1 LEU 14 1HD1 LEU 14 109.098 57.589 51.318 106 2HD1 LEU 14 2HD1 LEU 14 110.585 56.682 51.041 107 3HD1 LEU 14 3HD1 LEU 14 109.797 56.624 52.617 108 1HD2 LEU 14 1HD2 LEU 14 111.841 59.837 50.914 109 2HD2 LEU 14 2HD2 LEU 14 112.874 58.550 51.537 110 3HD2 LEU 14 3HD2 LEU 14 111.700 58.202 50.269 111 H LEU 15 H LEU 15 108.531 62.108 52.547 112 HA LEU 15 HA LEU 15 109.093 63.546 50.140 113 1HB LEU 15 1HB LEU 15 107.174 64.089 52.432 114 2HB LEU 15 2HB LEU 15 107.059 64.814 50.827 115 HG LEU 15 HG LEU 15 107.088 61.821 51.274 116 1HD1 LEU 15 1HD1 LEU 15 104.786 63.777 51.174 117 2HD1 LEU 15 2HD1 LEU 15 104.580 62.071 50.781 118 3HD1 LEU 15 3HD1 LEU 15 105.116 62.545 52.393 119 1HD2 LEU 15 1HD2 LEU 15 107.117 63.590 48.979 120 2HD2 LEU 15 2HD2 LEU 15 107.268 61.835 49.026 121 3HD2 LEU 15 3HD2 LEU 15 105.671 62.581 48.958 122 H GLN 16 H GLN 16 109.192 64.612 53.566 123 HA GLN 16 HA GLN 16 109.967 67.297 53.175 124 1HB GLN 16 1HB GLN 16 109.700 65.429 55.262 125 2HB GLN 16 2HB GLN 16 111.362 66.006 55.380 126 1HG GLN 16 1HG GLN 16 110.582 68.330 55.392 127 2HG GLN 16 2HG GLN 16 108.914 67.786 55.206 128 1HE2 GLN 16 2HE2 GLN 16 109.257 69.274 57.438 129 2HE2 GLN 16 1HE2 GLN 16 109.350 68.316 58.835 130 H GLY 17 H GLY 17 111.905 64.328 53.071 131 1HA GLY 17 1HA GLY 17 114.496 65.477 53.072 132 2HA GLY 17 2HA GLY 17 114.081 63.964 52.262 133 H TYR 18 H TYR 18 112.461 64.598 50.252 134 HA TYR 18 HA TYR 18 114.002 65.585 48.154 135 1HB TYR 18 1HB TYR 18 111.537 64.552 48.464 136 2HB TYR 18 2HB TYR 18 111.091 66.239 48.211 137 HD1 TYR 18 HD1 TYR 18 113.803 64.045 46.816 138 HD2 TYR 18 HD2 TYR 18 110.419 66.593 45.998 139 HE1 TYR 18 HE1 TYR 18 114.198 63.780 44.365 140 HE2 TYR 18 HE2 TYR 18 110.807 66.332 43.550 141 HH TYR 18 HH TYR 18 112.554 65.734 42.015 142 H THR 19 H THR 19 111.793 67.437 50.252 143 HA THR 19 HA THR 19 111.980 69.971 49.020 144 HB THR 19 HB THR 19 111.939 69.543 52.005 145 HG1 THR 19 HG1 THR 19 109.950 68.868 50.104 146 1HG2 THR 19 1HG2 THR 19 110.697 71.434 50.027 147 2HG2 THR 19 2HG2 THR 19 109.952 71.186 51.606 148 3HG2 THR 19 3HG2 THR 19 111.602 71.802 51.496 149 H VAL 20 H VAL 20 114.179 68.376 51.312 150 HA VAL 20 HA VAL 20 115.900 70.738 51.584 151 HB VAL 20 HB VAL 20 116.236 67.826 52.380 152 1HG1 VAL 20 1HG1 VAL 20 117.695 70.364 53.157 153 2HG1 VAL 20 2HG1 VAL 20 117.793 68.874 54.095 154 3HG1 VAL 20 3HG1 VAL 20 118.379 68.910 52.432 155 1HG2 VAL 20 1HG2 VAL 20 114.379 69.721 53.276 156 2HG2 VAL 20 2HG2 VAL 20 114.844 68.239 54.112 157 3HG2 VAL 20 3HG2 VAL 20 115.661 69.756 54.486 158 H GLU 21 H GLU 21 115.756 67.887 49.545 159 HA GLU 21 HA GLU 21 118.542 68.177 48.601 160 1HB GLU 21 1HB GLU 21 116.495 66.546 47.142 161 2HB GLU 21 2HB GLU 21 118.166 66.149 47.522 162 1HG GLU 21 1HG GLU 21 117.078 66.253 50.024 163 2HG GLU 21 2HG GLU 21 115.709 65.664 49.079 164 H VAL 22 H VAL 22 115.300 68.381 47.159 165 HA VAL 22 HA VAL 22 115.969 69.395 44.628 166 HB VAL 22 HB VAL 22 113.612 69.923 46.463 167 1HG1 VAL 22 1HG1 VAL 22 113.844 71.530 44.538 168 2HG1 VAL 22 2HG1 VAL 22 113.742 70.145 43.451 169 3HG1 VAL 22 3HG1 VAL 22 112.379 70.550 44.493 170 1HG2 VAL 22 1HG2 VAL 22 114.138 67.861 44.300 171 2HG2 VAL 22 2HG2 VAL 22 113.966 67.550 46.028 172 3HG2 VAL 22 3HG2 VAL 22 112.579 68.099 45.090 173 H LEU 23 H LEU 23 115.485 71.151 47.696 174 HA LEU 23 HA LEU 23 115.733 73.795 46.546 175 1HB LEU 23 1HB LEU 23 115.714 72.498 49.238 176 2HB LEU 23 2HB LEU 23 116.335 74.146 49.136 177 HG LEU 23 HG LEU 23 113.673 73.304 47.967 178 1HD1 LEU 23 1HD1 LEU 23 114.293 73.414 50.673 179 2HD1 LEU 23 2HD1 LEU 23 113.618 75.010 50.344 180 3HD1 LEU 23 3HD1 LEU 23 112.677 73.563 49.982 181 1HD2 LEU 23 1HD2 LEU 23 115.247 75.818 48.195 182 2HD2 LEU 23 2HD2 LEU 23 114.106 75.316 46.947 183 3HD2 LEU 23 3HD2 LEU 23 113.511 75.955 48.480 184 H ARG 24 H ARG 24 118.024 71.560 48.120 185 HA ARG 24 HA ARG 24 120.268 73.405 48.021 186 1HB ARG 24 1HB ARG 24 119.858 71.413 49.569 187 2HB ARG 24 2HB ARG 24 120.294 70.381 48.207 188 1HG ARG 24 1HG ARG 24 122.419 70.617 48.974 189 2HG ARG 24 2HG ARG 24 122.350 72.202 48.205 190 1HD ARG 24 1HD ARG 24 121.226 72.915 50.505 191 2HD ARG 24 2HD ARG 24 122.109 71.499 51.111 192 HE ARG 24 HE ARG 24 123.682 73.289 49.386 193 1HH1 ARG 24 1HH1 ARG 24 124.343 71.361 51.805 194 2HH1 ARG 24 2HH1 ARG 24 124.981 72.526 52.917 195 1HH2 ARG 24 1HH2 ARG 24 123.792 75.260 51.144 196 2HH2 ARG 24 2HH2 ARG 24 124.667 74.734 52.544 197 H GLN 25 H GLN 25 119.841 70.274 46.316 198 HA GLN 25 HA GLN 25 121.856 70.690 44.369 199 1HB GLN 25 1HB GLN 25 119.489 68.965 44.804 200 2HB GLN 25 2HB GLN 25 120.015 69.095 43.125 201 1HG GLN 25 1HG GLN 25 121.258 67.273 43.996 202 2HG GLN 25 2HG GLN 25 122.388 68.628 44.019 203 1HE2 GLN 25 2HE2 GLN 25 120.832 66.257 45.989 204 2HE2 GLN 25 1HE2 GLN 25 121.340 66.856 47.494 205 H GLN 26 H GLN 26 118.498 71.767 44.467 206 HA GLN 26 HA GLN 26 117.271 73.158 43.003 207 1HB GLN 26 1HB GLN 26 119.823 74.190 43.586 208 2HB GLN 26 2HB GLN 26 119.602 74.456 41.856 209 1HG GLN 26 1HG GLN 26 117.795 75.864 42.160 210 2HG GLN 26 2HG GLN 26 117.311 75.087 43.668 211 1HE2 GLN 26 2HE2 GLN 26 117.675 77.978 43.327 212 2HE2 GLN 26 1HE2 GLN 26 118.938 78.442 44.363 213 HA PRO 27 HA PRO 27 118.724 70.579 39.334 214 1HB PRO 27 1HB PRO 27 116.606 68.846 39.250 215 2HB PRO 27 2HB PRO 27 118.085 68.522 40.176 216 1HG PRO 27 1HG PRO 27 115.446 69.528 41.119 217 2HG PRO 27 2HG PRO 27 116.553 68.377 41.882 218 1HD PRO 27 1HD PRO 27 116.351 70.981 42.644 219 2HD PRO 27 2HD PRO 27 117.843 70.028 42.808 220 HA PRO 28 HA PRO 28 116.009 73.077 36.898 221 1HB PRO 28 1HB PRO 28 116.432 71.948 34.439 222 2HB PRO 28 2HB PRO 28 117.612 73.012 35.233 223 1HG PRO 28 1HG PRO 28 117.557 70.037 35.070 224 2HG PRO 28 2HG PRO 28 118.930 71.149 34.943 225 1HD PRO 28 1HD PRO 28 118.370 69.746 37.199 226 2HD PRO 28 2HD PRO 28 119.157 71.340 37.218 227 H ASP 29 H ASP 29 115.819 69.551 36.723 228 HA ASP 29 HA ASP 29 112.869 69.805 36.251 229 1HB ASP 29 1HB ASP 29 114.794 67.796 35.035 230 2HB ASP 29 2HB ASP 29 113.062 67.891 34.716 231 H LEU 30 H LEU 30 111.826 68.878 37.967 232 HA LEU 30 HA LEU 30 113.228 67.111 39.832 233 1HB LEU 30 1HB LEU 30 110.305 67.910 39.617 234 2HB LEU 30 2HB LEU 30 111.106 67.261 41.049 235 HG LEU 30 HG LEU 30 112.693 69.436 40.265 236 1HD1 LEU 30 1HD1 LEU 30 110.313 69.850 39.004 237 2HD1 LEU 30 2HD1 LEU 30 109.993 70.616 40.560 238 3HD1 LEU 30 3HD1 LEU 30 111.355 71.152 39.577 239 1HD2 LEU 30 1HD2 LEU 30 110.591 69.051 42.409 240 2HD2 LEU 30 2HD2 LEU 30 112.338 68.870 42.565 241 3HD2 LEU 30 3HD2 LEU 30 111.632 70.473 42.346 242 H VAL 31 H VAL 31 111.068 66.737 37.104 243 HA VAL 31 HA VAL 31 109.928 64.198 37.573 244 HB VAL 31 HB VAL 31 111.068 65.328 34.992 245 1HG1 VAL 31 1HG1 VAL 31 110.025 62.858 35.364 246 2HG1 VAL 31 2HG1 VAL 31 108.538 63.767 35.088 247 3HG1 VAL 31 3HG1 VAL 31 109.813 63.771 33.869 248 1HG2 VAL 31 1HG2 VAL 31 109.007 66.312 36.748 249 2HG2 VAL 31 2HG2 VAL 31 109.541 66.978 35.204 250 3HG2 VAL 31 3HG2 VAL 31 108.264 65.763 35.246 251 H ASP 32 H ASP 32 112.993 64.930 35.884 252 HA ASP 32 HA ASP 32 113.838 62.173 35.710 253 1HB ASP 32 1HB ASP 32 114.482 64.558 34.570 254 2HB ASP 32 2HB ASP 32 115.823 64.380 35.705 255 H PHE 33 H PHE 33 114.790 64.886 37.850 256 HA PHE 33 HA PHE 33 116.692 63.492 39.436 257 1HB PHE 33 1HB PHE 33 116.362 65.919 39.460 258 2HB PHE 33 2HB PHE 33 114.730 65.717 40.097 259 HD1 PHE 33 HD1 PHE 33 118.078 64.209 40.951 260 HD2 PHE 33 HD2 PHE 33 114.602 66.360 42.343 261 HE1 PHE 33 HE1 PHE 33 118.987 64.174 43.271 262 HE2 PHE 33 HE2 PHE 33 115.511 66.324 44.665 263 HZ PHE 33 HZ PHE 33 117.704 65.231 45.128 264 H ALA 34 H ALA 34 113.194 64.002 40.020 265 HA ALA 34 HA ALA 34 112.914 62.535 42.409 266 1HB ALA 34 1HB ALA 34 111.233 63.968 41.160 267 2HB ALA 34 2HB ALA 34 110.985 62.606 40.067 268 3HB ALA 34 3HB ALA 34 110.577 62.452 41.777 269 H VAL 35 H VAL 35 112.999 61.392 39.043 270 HA VAL 35 HA VAL 35 112.434 58.617 39.741 271 HB VAL 35 HB VAL 35 113.445 60.066 37.273 272 1HG1 VAL 35 1HG1 VAL 35 112.859 57.178 37.816 273 2HG1 VAL 35 2HG1 VAL 35 112.495 57.842 36.224 274 3HG1 VAL 35 3HG1 VAL 35 114.145 57.893 36.846 275 1HG2 VAL 35 1HG2 VAL 35 111.004 60.255 38.391 276 2HG2 VAL 35 2HG2 VAL 35 111.241 60.265 36.643 277 3HG2 VAL 35 3HG2 VAL 35 110.764 58.776 37.459 278 H GLU 36 H GLU 36 115.310 60.589 39.086 279 HA GLU 36 HA GLU 36 117.149 58.331 39.072 280 1HB GLU 36 1HB GLU 36 117.784 60.200 37.798 281 2HB GLU 36 2HB GLU 36 117.231 61.341 39.019 282 1HG GLU 36 1HG GLU 36 119.197 61.276 40.155 283 2HG GLU 36 2HG GLU 36 119.419 59.548 39.878 284 H TYR 37 H TYR 37 115.725 60.410 41.491 285 HA TYR 37 HA TYR 37 117.753 59.922 43.541 286 1HB TYR 37 1HB TYR 37 116.352 61.959 43.403 287 2HB TYR 37 2HB TYR 37 114.910 60.977 43.666 288 HD1 TYR 37 HD1 TYR 37 118.335 61.080 45.235 289 HD2 TYR 37 HD2 TYR 37 114.061 61.250 45.830 290 HE1 TYR 37 HE1 TYR 37 118.684 61.226 47.699 291 HE2 TYR 37 HE2 TYR 37 114.411 61.396 48.294 292 HH TYR 37 HH TYR 37 116.272 62.161 49.849 293 H PHE 38 H PHE 38 114.266 59.064 43.457 294 HA PHE 38 HA PHE 38 114.389 57.130 45.533 295 1HB PHE 38 1HB PHE 38 112.572 57.631 43.173 296 2HB PHE 38 2HB PHE 38 112.244 56.333 44.322 297 HD1 PHE 38 HD1 PHE 38 113.031 57.410 46.901 298 HD2 PHE 38 HD2 PHE 38 111.066 59.392 43.606 299 HE1 PHE 38 HE1 PHE 38 112.034 59.056 48.485 300 HE2 PHE 38 HE2 PHE 38 110.068 61.037 45.192 301 HZ PHE 38 HZ PHE 38 110.553 60.869 47.631 302 H THR 39 H THR 39 114.514 56.634 41.974 303 HA THR 39 HA THR 39 114.705 53.829 41.920 304 HB THR 39 HB THR 39 116.089 55.939 40.234 305 HG1 THR 39 HG1 THR 39 114.158 56.218 39.504 306 1HG2 THR 39 1HG2 THR 39 116.432 53.136 40.221 307 2HG2 THR 39 2HG2 THR 39 115.397 53.512 38.844 308 3HG2 THR 39 3HG2 THR 39 116.973 54.286 38.998 309 H ARG 40 H ARG 40 117.414 56.178 42.133 310 HA ARG 40 HA ARG 40 119.518 54.277 42.354 311 1HB ARG 40 1HB ARG 40 119.005 57.135 42.986 312 2HB ARG 40 2HB ARG 40 120.382 56.403 43.813 313 1HG ARG 40 1HG ARG 40 121.027 55.490 41.470 314 2HG ARG 40 2HG ARG 40 119.917 56.713 40.852 315 1HD ARG 40 1HD ARG 40 121.232 58.492 41.629 316 2HD ARG 40 2HD ARG 40 122.028 57.490 42.859 317 HE ARG 40 HE ARG 40 122.659 56.300 40.400 318 1HH1 ARG 40 1HH1 ARG 40 122.581 59.322 39.704 319 2HH1 ARG 40 2HH1 ARG 40 124.258 59.718 39.870 320 1HH2 ARG 40 1HH2 ARG 40 125.046 56.813 41.590 321 2HH2 ARG 40 2HH2 ARG 40 125.654 58.297 40.937 322 H LEU 41 H LEU 41 117.167 55.411 44.695 323 HA LEU 41 HA LEU 41 118.480 54.680 47.120 324 1HB LEU 41 1HB LEU 41 116.092 55.797 46.313 325 2HB LEU 41 2HB LEU 41 115.570 54.240 46.957 326 HG LEU 41 HG LEU 41 116.941 54.731 49.021 327 1HD1 LEU 41 1HD1 LEU 41 117.430 57.194 47.418 328 2HD1 LEU 41 2HD1 LEU 41 117.176 57.411 49.150 329 3HD1 LEU 41 3HD1 LEU 41 118.482 56.375 48.574 330 1HD2 LEU 41 1HD2 LEU 41 114.398 55.733 48.215 331 2HD2 LEU 41 2HD2 LEU 41 114.955 55.391 49.853 332 3HD2 LEU 41 3HD2 LEU 41 115.182 56.998 49.162 333 H ARG 42 H ARG 42 116.413 52.803 44.902 334 HA ARG 42 HA ARG 42 116.094 50.431 46.375 335 1HB ARG 42 1HB ARG 42 115.912 51.382 43.658 336 2HB ARG 42 2HB ARG 42 116.607 49.760 43.662 337 1HG ARG 42 1HG ARG 42 114.554 48.910 44.000 338 2HG ARG 42 2HG ARG 42 114.484 49.749 45.550 339 1HD ARG 42 1HD ARG 42 112.698 50.827 44.590 340 2HD ARG 42 2HD ARG 42 113.956 51.805 43.807 341 HE ARG 42 HE ARG 42 112.420 49.635 42.531 342 1HH1 ARG 42 1HH2 ARG 42 112.961 52.275 41.229 343 2HH1 ARG 42 2HH2 ARG 42 114.212 51.877 40.100 344 1HH2 ARG 42 1HH1 ARG 42 114.994 48.862 41.624 345 2HH2 ARG 42 2HH1 ARG 42 115.364 49.946 40.324 346 H GLU 43 H GLU 43 118.620 50.907 43.870 347 HA GLU 43 HA GLU 43 120.180 48.633 44.619 348 1HB GLU 43 1HB GLU 43 120.484 51.127 43.008 349 2HB GLU 43 2HB GLU 43 121.959 50.251 43.416 350 1HG GLU 43 1HG GLU 43 120.839 48.154 42.544 351 2HG GLU 43 2HG GLU 43 119.541 49.184 41.939 352 H ALA 44 H ALA 44 119.911 51.799 46.031 353 HA ALA 44 HA ALA 44 122.491 51.997 47.284 354 1HB ALA 44 1HB ALA 44 120.059 53.425 47.101 355 2HB ALA 44 2HB ALA 44 120.322 53.140 48.825 356 3HB ALA 44 3HB ALA 44 121.553 53.970 47.866 357 H ARG 45 H ARG 45 119.336 51.125 48.732 358 HA ARG 45 HA ARG 45 120.171 50.339 51.253 359 1HB ARG 45 1HB ARG 45 117.844 50.447 50.084 360 2HB ARG 45 2HB ARG 45 118.143 48.753 49.687 361 1HG ARG 45 1HG ARG 45 117.204 48.364 51.727 362 2HG ARG 45 2HG ARG 45 118.808 48.778 52.331 363 1HD ARG 45 1HD ARG 45 118.148 50.899 53.027 364 2HD ARG 45 2HD ARG 45 116.848 51.000 51.822 365 HE ARG 45 HE ARG 45 116.706 49.129 54.160 366 1HH1 ARG 45 1HH2 ARG 45 115.455 51.775 54.621 367 2HH1 ARG 45 2HH2 ARG 45 113.823 51.523 54.100 368 1HH2 ARG 45 1HH1 ARG 45 114.556 48.634 52.326 369 2HH2 ARG 45 2HH1 ARG 45 113.313 49.743 52.802 370 H ARG 46 H ARG 46 120.249 48.389 48.277 371 HA ARG 46 HA ARG 46 122.390 46.709 49.350 372 1HB ARG 46 1HB ARG 46 120.233 45.910 50.424 373 2HB ARG 46 2HB ARG 46 119.674 45.471 48.810 374 1HG ARG 46 1HG ARG 46 122.169 44.322 48.868 375 2HG ARG 46 2HG ARG 46 121.643 44.129 50.541 376 1HD ARG 46 1HD ARG 46 119.450 43.516 48.751 377 2HD ARG 46 2HD ARG 46 120.869 42.531 48.347 378 HE ARG 46 HE ARG 46 119.639 42.676 51.070 379 1HH1 ARG 46 1HH1 ARG 46 122.587 41.829 49.948 380 2HH1 ARG 46 2HH1 ARG 46 122.487 40.140 50.316 381 1HH2 ARG 46 1HH2 ARG 46 119.090 40.222 51.010 382 2HH2 ARG 46 2HH2 ARG 46 120.506 39.229 50.916 383 1H HIS 1 1H HIS 1 124.527 88.938 38.321 384 2H HIS 1 2H HIS 1 124.133 90.565 38.032 385 3H HIS 1 3H HIS 1 124.653 90.081 39.572 386 HA HIS 1 HA HIS 1 122.661 88.980 40.055 387 1HB HIS 1 1HB HIS 1 122.588 91.622 38.691 388 2HB HIS 1 2HB HIS 1 121.024 90.861 38.988 389 HD1 HIS 1 HD1 HIS 1 123.527 92.899 40.615 390 HD2 HIS 1 HD2 HIS 1 120.797 90.016 41.882 391 HE1 HIS 1 HE1 HIS 1 123.295 93.185 43.121 392 H MET 2 H MET 2 122.519 86.994 38.803 393 HA MET 2 HA MET 2 120.622 87.208 36.507 394 1HB MET 2 1HB MET 2 122.075 85.581 35.285 395 2HB MET 2 2HB MET 2 122.896 87.109 35.602 396 1HG MET 2 1HG MET 2 124.071 86.160 37.493 397 2HG MET 2 2HG MET 2 123.138 84.668 37.380 398 1HE MET 2 1HE MET 2 122.764 83.549 35.364 399 2HE MET 2 2HE MET 2 123.865 83.318 34.007 400 3HE MET 2 3HE MET 2 124.177 82.496 35.534 401 H GLY 3 H GLY 3 120.706 86.186 39.455 402 1HA GLY 3 1HA GLY 3 119.106 83.789 38.926 403 2HA GLY 3 2HA GLY 3 120.616 83.466 39.778 404 H HIS 4 H HIS 4 117.740 83.312 40.690 405 HA HIS 4 HA HIS 4 118.029 85.103 43.081 406 1HB HIS 4 1HB HIS 4 115.764 84.549 41.201 407 2HB HIS 4 2HB HIS 4 115.379 84.879 42.891 408 HD1 HIS 4 HD1 HIS 4 116.628 86.493 39.776 409 HD2 HIS 4 HD2 HIS 4 116.140 87.517 43.787 410 HE1 HIS 4 HE1 HIS 4 116.892 89.008 39.910 411 H ILE 5 H ILE 5 117.012 84.214 45.044 412 HA ILE 5 HA ILE 5 116.912 81.217 45.007 413 HB ILE 5 HB ILE 5 117.609 83.205 47.193 414 1HG1 ILE 5 1HG1 ILE 5 119.864 81.841 46.835 415 2HG1 ILE 5 2HG1 ILE 5 119.194 81.599 45.221 416 1HG2 ILE 5 1HG2 ILE 5 116.758 80.497 47.349 417 2HG2 ILE 5 2HG2 ILE 5 118.490 80.516 47.681 418 3HG2 ILE 5 3HG2 ILE 5 117.396 81.505 48.649 419 1HD1 ILE 5 1HD1 ILE 5 118.818 84.343 45.949 420 2HD1 ILE 5 2HD1 ILE 5 120.503 83.916 46.241 421 3HD1 ILE 5 3HD1 ILE 5 119.800 83.684 44.640 422 H GLN 6 H GLN 6 114.639 80.993 44.664 423 HA GLN 6 HA GLN 6 112.968 81.718 47.017 424 1HB GLN 6 1HB GLN 6 112.654 82.642 44.165 425 2HB GLN 6 2HB GLN 6 111.245 82.510 45.217 426 1HG GLN 6 1HG GLN 6 112.914 83.831 46.880 427 2HG GLN 6 2HG GLN 6 113.518 84.421 45.331 428 1HE2 GLN 6 2HE2 GLN 6 112.500 86.522 46.354 429 2HE2 GLN 6 1HE2 GLN 6 110.870 86.813 45.984 430 H ILE 7 H ILE 7 110.726 80.647 46.740 431 HA ILE 7 HA ILE 7 111.126 77.857 45.909 432 HB ILE 7 HB ILE 7 108.740 79.338 47.058 433 1HG1 ILE 7 1HG1 ILE 7 110.715 79.510 48.512 434 2HG1 ILE 7 2HG1 ILE 7 109.537 78.407 49.222 435 1HG2 ILE 7 1HG2 ILE 7 109.197 76.581 46.206 436 2HG2 ILE 7 2HG2 ILE 7 108.720 76.684 47.901 437 3HG2 ILE 7 3HG2 ILE 7 107.688 77.380 46.652 438 1HD1 ILE 7 1HD1 ILE 7 110.982 76.666 47.713 439 2HD1 ILE 7 2HD1 ILE 7 112.230 77.842 48.125 440 3HD1 ILE 7 3HD1 ILE 7 111.340 77.018 49.404 441 HA PRO 8 HA PRO 8 109.328 78.904 41.913 442 1HB PRO 8 1HB PRO 8 109.650 76.438 40.782 443 2HB PRO 8 2HB PRO 8 110.969 77.618 40.923 444 1HG PRO 8 1HG PRO 8 110.371 75.242 42.605 445 2HG PRO 8 2HG PRO 8 111.930 75.873 42.055 446 1HD PRO 8 1HD PRO 8 110.958 76.258 44.570 447 2HD PRO 8 2HD PRO 8 112.068 77.388 43.764 448 HA PRO 9 HA PRO 9 105.273 77.317 42.682 449 1HB PRO 9 1HB PRO 9 104.103 77.901 40.279 450 2HB PRO 9 2HB PRO 9 104.475 79.137 41.497 451 1HG PRO 9 1HG PRO 9 105.937 78.433 39.008 452 2HG PRO 9 2HG PRO 9 105.671 80.016 39.754 453 1HD PRO 9 1HD PRO 9 108.015 78.605 39.933 454 2HD PRO 9 2HD PRO 9 107.486 79.816 41.120 455 H GLY 10 H GLY 10 104.169 75.358 42.325 456 1HA GLY 10 1HA GLY 10 103.514 73.478 40.913 457 2HA GLY 10 2HA GLY 10 104.974 73.734 39.960 458 H LEU 11 H LEU 11 106.447 74.117 42.645 459 HA LEU 11 HA LEU 11 107.403 71.401 42.876 460 1HB LEU 11 1HB LEU 11 108.782 73.388 43.273 461 2HB LEU 11 2HB LEU 11 107.735 73.873 44.607 462 HG LEU 11 HG LEU 11 108.285 71.624 45.682 463 1HD1 LEU 11 1HD1 LEU 11 109.146 70.604 43.558 464 2HD1 LEU 11 2HD1 LEU 11 110.533 71.690 43.647 465 3HD1 LEU 11 3HD1 LEU 11 110.283 70.477 44.901 466 1HD2 LEU 11 1HD2 LEU 11 109.486 74.051 45.896 467 2HD2 LEU 11 2HD2 LEU 11 109.962 72.652 46.859 468 3HD2 LEU 11 3HD2 LEU 11 110.865 73.069 45.403 469 H THR 12 H THR 12 105.572 73.474 45.170 470 HA THR 12 HA THR 12 105.147 71.475 47.155 471 HB THR 12 HB THR 12 103.423 73.838 46.344 472 HG1 THR 12 HG1 THR 12 105.118 74.900 46.944 473 1HG2 THR 12 1HG2 THR 12 102.409 72.187 47.954 474 2HG2 THR 12 2HG2 THR 12 103.749 72.521 49.051 475 3HG2 THR 12 3HG2 THR 12 102.620 73.806 48.620 476 H GLU 13 H GLU 13 102.993 72.537 44.501 477 HA GLU 13 HA GLU 13 100.820 70.810 44.949 478 1HB GLU 13 1HB GLU 13 101.051 72.673 43.275 479 2HB GLU 13 2HB GLU 13 102.040 71.599 42.284 480 1HG GLU 13 1HG GLU 13 100.197 70.023 42.069 481 2HG GLU 13 2HG GLU 13 99.207 70.982 43.170 482 H LEU 14 H LEU 14 103.785 70.162 43.049 483 HA LEU 14 HA LEU 14 103.150 67.568 42.123 484 1HB LEU 14 1HB LEU 14 105.440 69.316 42.445 485 2HB LEU 14 2HB LEU 14 105.899 67.643 42.765 486 HG LEU 14 HG LEU 14 104.419 68.614 40.301 487 1HD1 LEU 14 1HD1 LEU 14 107.280 68.240 40.970 488 2HD1 LEU 14 2HD1 LEU 14 106.767 67.539 39.435 489 3HD1 LEU 14 3HD1 LEU 14 106.535 69.260 39.740 490 1HD2 LEU 14 1HD2 LEU 14 104.488 66.074 41.489 491 2HD2 LEU 14 2HD2 LEU 14 104.005 66.444 39.833 492 3HD2 LEU 14 3HD2 LEU 14 105.673 65.991 40.186 493 H LEU 15 H LEU 15 104.987 68.435 45.086 494 HA LEU 15 HA LEU 15 105.184 65.772 46.106 495 1HB LEU 15 1HB LEU 15 105.122 68.474 47.489 496 2HB LEU 15 2HB LEU 15 105.716 66.981 48.218 497 HG LEU 15 HG LEU 15 106.821 68.090 45.628 498 1HD1 LEU 15 1HD1 LEU 15 107.644 68.586 48.494 499 2HD1 LEU 15 2HD1 LEU 15 108.774 68.765 47.153 500 3HD1 LEU 15 3HD1 LEU 15 107.332 69.775 47.230 501 1HD2 LEU 15 1HD2 LEU 15 107.189 65.679 47.185 502 2HD2 LEU 15 2HD2 LEU 15 107.880 66.099 45.618 503 3HD2 LEU 15 3HD2 LEU 15 108.702 66.581 47.101 504 H GLN 16 H GLN 16 102.837 68.382 46.853 505 HA GLN 16 HA GLN 16 101.261 67.027 48.763 506 1HB GLN 16 1HB GLN 16 101.209 69.390 47.234 507 2HB GLN 16 2HB GLN 16 99.687 68.578 46.868 508 1HG GLN 16 1HG GLN 16 99.189 68.378 49.261 509 2HG GLN 16 2HG GLN 16 100.736 69.128 49.661 510 1HE2 GLN 16 2HE2 GLN 16 98.640 70.502 50.681 511 2HE2 GLN 16 1HE2 GLN 16 98.278 71.884 49.764 512 H GLY 17 H GLY 17 101.270 66.775 45.225 513 1HA GLY 17 1HA GLY 17 98.880 65.294 44.867 514 2HA GLY 17 2HA GLY 17 100.293 65.170 43.816 515 H TYR 18 H TYR 18 102.222 64.049 45.262 516 HA TYR 18 HA TYR 18 101.758 61.307 45.382 517 1HB TYR 18 1HB TYR 18 103.842 62.964 45.763 518 2HB TYR 18 2HB TYR 18 103.527 62.537 47.446 519 HD1 TYR 18 HD1 TYR 18 103.300 60.642 44.210 520 HD2 TYR 18 HD2 TYR 18 105.007 60.872 48.166 521 HE1 TYR 18 HE1 TYR 18 104.417 58.437 43.856 522 HE2 TYR 18 HE2 TYR 18 106.125 58.671 47.816 523 HH TYR 18 HH TYR 18 105.944 56.709 46.450 524 H THR 19 H THR 19 101.406 63.661 48.038 525 HA THR 19 HA THR 19 100.763 61.900 50.152 526 HB THR 19 HB THR 19 99.428 64.568 49.709 527 HG1 THR 19 HG1 THR 19 102.162 64.032 50.218 528 1HG2 THR 19 1HG2 THR 19 100.492 62.990 52.034 529 2HG2 THR 19 2HG2 THR 19 100.319 64.741 52.155 530 3HG2 THR 19 3HG2 THR 19 98.907 63.736 51.831 531 H VAL 20 H VAL 20 98.707 63.225 47.573 532 HA VAL 20 HA VAL 20 96.249 62.082 48.697 533 HB VAL 20 HB VAL 20 96.917 63.322 46.007 534 1HG1 VAL 20 1HG1 VAL 20 94.301 62.686 47.395 535 2HG1 VAL 20 2HG1 VAL 20 94.420 63.806 46.038 536 3HG1 VAL 20 3HG1 VAL 20 94.851 62.109 45.822 537 1HG2 VAL 20 1HG2 VAL 20 96.924 64.478 48.556 538 2HG2 VAL 20 2HG2 VAL 20 96.824 65.341 47.021 539 3HG2 VAL 20 3HG2 VAL 20 95.350 64.908 47.886 540 H GLU 21 H GLU 21 98.716 61.115 46.398 541 HA GLU 21 HA GLU 21 97.069 58.952 45.239 542 1HB GLU 21 1HB GLU 21 100.050 59.057 44.949 543 2HB GLU 21 2HB GLU 21 98.830 58.704 43.734 544 1HG GLU 21 1HG GLU 21 98.257 61.313 44.300 545 2HG GLU 21 2HG GLU 21 100.005 61.287 44.537 546 H VAL 22 H VAL 22 100.067 59.171 47.140 547 HA VAL 22 HA VAL 22 100.446 56.454 47.745 548 HB VAL 22 HB VAL 22 100.946 58.979 49.354 549 1HG1 VAL 22 1HG1 VAL 22 101.056 56.832 50.672 550 2HG1 VAL 22 2HG1 VAL 22 102.329 56.298 49.575 551 3HG1 VAL 22 3HG1 VAL 22 102.580 57.716 50.592 552 1HG2 VAL 22 1HG2 VAL 22 102.636 57.401 47.388 553 2HG2 VAL 22 2HG2 VAL 22 101.996 59.027 47.152 554 3HG2 VAL 22 3HG2 VAL 22 103.237 58.737 48.370 555 H LEU 23 H LEU 23 98.389 58.859 49.391 556 HA LEU 23 HA LEU 23 97.606 57.115 51.565 557 1HB LEU 23 1HB LEU 23 96.804 59.737 50.373 558 2HB LEU 23 2HB LEU 23 95.661 58.957 51.468 559 HG LEU 23 HG LEU 23 98.575 59.398 52.160 560 1HD1 LEU 23 1HD1 LEU 23 96.664 61.391 51.845 561 2HD1 LEU 23 2HD1 LEU 23 96.595 61.028 53.570 562 3HD1 LEU 23 3HD1 LEU 23 98.122 61.511 52.830 563 1HD2 LEU 23 1HD2 LEU 23 96.178 58.245 53.492 564 2HD2 LEU 23 2HD2 LEU 23 97.880 57.834 53.692 565 3HD2 LEU 23 3HD2 LEU 23 97.216 59.257 54.495 566 H ARG 24 H ARG 24 96.154 57.949 48.416 567 HA ARG 24 HA ARG 24 93.748 56.373 48.834 568 1HB ARG 24 1HB ARG 24 94.146 58.370 47.290 569 2HB ARG 24 2HB ARG 24 95.010 57.258 46.227 570 1HG ARG 24 1HG ARG 24 92.969 56.874 45.309 571 2HG ARG 24 2HG ARG 24 92.700 55.862 46.728 572 1HD ARG 24 1HD ARG 24 91.984 58.166 47.840 573 2HD ARG 24 2HD ARG 24 91.675 58.621 46.153 574 HE ARG 24 HE ARG 24 90.626 55.985 46.931 575 1HH1 ARG 24 1HH1 ARG 24 89.763 58.215 44.858 576 2HH1 ARG 24 2HH1 ARG 24 88.192 58.581 45.488 577 1HH2 ARG 24 1HH2 ARG 24 88.729 56.949 48.499 578 2HH2 ARG 24 2HH2 ARG 24 87.608 57.866 47.550 579 H GLN 25 H GLN 25 96.372 55.887 46.434 580 HA GLN 25 HA GLN 25 95.750 53.194 45.816 581 1HB GLN 25 1HB GLN 25 98.013 55.086 45.551 582 2HB GLN 25 2HB GLN 25 98.454 53.382 45.444 583 1HG GLN 25 1HG GLN 25 97.932 53.995 43.213 584 2HG GLN 25 2HG GLN 25 96.488 53.161 43.790 585 1HE2 GLN 25 2HE2 GLN 25 97.659 56.142 42.500 586 2HE2 GLN 25 1HE2 GLN 25 96.233 57.041 42.698 587 H GLN 26 H GLN 26 97.626 54.566 48.469 588 HA GLN 26 HA GLN 26 98.643 53.545 50.342 589 1HB GLN 26 1HB GLN 26 96.030 52.606 49.888 590 2HB GLN 26 2HB GLN 26 96.972 51.170 50.286 591 1HG GLN 26 1HG GLN 26 97.475 51.916 52.412 592 2HG GLN 26 2HG GLN 26 97.392 53.617 51.948 593 1HE2 GLN 26 2HE2 GLN 26 95.990 52.448 54.245 594 2HE2 GLN 26 1HE2 GLN 26 94.328 52.634 53.957 595 HA PRO 27 HA PRO 27 100.686 50.381 47.508 596 1HB PRO 27 1HB PRO 27 103.047 51.714 47.120 597 2HB PRO 27 2HB PRO 27 101.644 51.901 46.049 598 1HG PRO 27 1HG PRO 27 102.598 53.674 48.242 599 2HG PRO 27 2HG PRO 27 101.926 54.097 46.659 600 1HD PRO 27 1HD PRO 27 100.485 54.200 48.966 601 2HD PRO 27 2HD PRO 27 99.759 53.883 47.374 602 HA PRO 28 HA PRO 28 102.782 48.948 51.124 603 1HB PRO 28 1HB PRO 28 104.275 46.935 50.020 604 2HB PRO 28 2HB PRO 28 102.527 46.804 50.297 605 1HG PRO 28 1HG PRO 28 104.003 47.417 47.784 606 2HG PRO 28 2HG PRO 28 102.570 46.406 48.033 607 1HD PRO 28 1HD PRO 28 102.443 48.933 47.046 608 2HD PRO 28 2HD PRO 28 101.136 48.196 47.999 609 H ASP 29 H ASP 29 104.617 49.752 48.211 610 HA ASP 29 HA ASP 29 106.871 50.654 49.968 611 1HB ASP 29 1HB ASP 29 107.043 49.223 47.295 612 2HB ASP 29 2HB ASP 29 108.410 49.729 48.288 613 H LEU 30 H LEU 30 107.150 52.824 49.655 614 HA LEU 30 HA LEU 30 105.968 54.199 47.358 615 1HB LEU 30 1HB LEU 30 107.821 55.175 49.557 616 2HB LEU 30 2HB LEU 30 106.789 56.180 48.540 617 HG LEU 30 HG LEU 30 105.070 54.239 49.613 618 1HD1 LEU 30 1HD1 LEU 30 107.258 54.173 51.238 619 2HD1 LEU 30 2HD1 LEU 30 106.320 55.455 52.005 620 3HD1 LEU 30 3HD1 LEU 30 105.614 53.852 51.793 621 1HD2 LEU 30 1HD2 LEU 30 105.633 57.135 50.295 622 2HD2 LEU 30 2HD2 LEU 30 104.378 56.501 49.231 623 3HD2 LEU 30 3HD2 LEU 30 104.269 56.246 50.973 624 H VAL 31 H VAL 31 109.122 52.967 48.246 625 HA VAL 31 HA VAL 31 110.855 54.518 46.649 626 HB VAL 31 HB VAL 31 110.861 51.514 47.109 627 1HG1 VAL 31 1HG1 VAL 31 112.547 52.921 45.523 628 2HG1 VAL 31 2HG1 VAL 31 113.352 53.137 47.077 629 3HG1 VAL 31 3HG1 VAL 31 113.058 51.514 46.454 630 1HG2 VAL 31 1HG2 VAL 31 110.986 53.715 48.960 631 2HG2 VAL 31 2HG2 VAL 31 111.107 51.989 49.302 632 3HG2 VAL 31 3HG2 VAL 31 112.558 52.917 48.921 633 H ASP 32 H ASP 32 109.196 51.485 45.746 634 HA ASP 32 HA ASP 32 109.932 51.624 42.956 635 1HB ASP 32 1HB ASP 32 108.981 49.767 44.703 636 2HB ASP 32 2HB ASP 32 107.501 50.155 43.820 637 H PHE 33 H PHE 33 106.894 52.343 44.720 638 HA PHE 33 HA PHE 33 105.327 53.152 42.489 639 1HB PHE 33 1HB PHE 33 104.447 52.728 44.736 640 2HB PHE 33 2HB PHE 33 105.381 54.077 45.383 641 HD1 PHE 33 HD1 PHE 33 103.209 53.624 42.336 642 HD2 PHE 33 HD2 PHE 33 104.007 55.889 45.925 643 HE1 PHE 33 HE1 PHE 33 101.356 55.190 41.761 644 HE2 PHE 33 HE2 PHE 33 102.153 57.454 45.349 645 HZ PHE 33 HZ PHE 33 100.828 57.105 43.267 646 H ALA 34 H ALA 34 107.314 55.142 44.710 647 HA ALA 34 HA ALA 34 106.934 57.668 43.519 648 1HB ALA 34 1HB ALA 34 108.145 57.027 45.656 649 2HB ALA 34 2HB ALA 34 109.514 56.546 44.655 650 3HB ALA 34 3HB ALA 34 108.986 58.228 44.678 651 H VAL 35 H VAL 35 109.153 55.040 42.609 652 HA VAL 35 HA VAL 35 110.456 56.578 40.500 653 HB VAL 35 HB VAL 35 110.358 53.651 41.297 654 1HG1 VAL 35 1HG1 VAL 35 111.816 55.100 39.116 655 2HG1 VAL 35 2HG1 VAL 35 112.606 53.747 39.925 656 3HG1 VAL 35 3HG1 VAL 35 111.071 53.503 39.092 657 1HG2 VAL 35 1HG2 VAL 35 111.440 55.688 42.683 658 2HG2 VAL 35 2HG2 VAL 35 112.177 54.087 42.634 659 3HG2 VAL 35 3HG2 VAL 35 112.777 55.366 41.579 660 H GLU 36 H GLU 36 107.826 54.206 40.727 661 HA GLU 36 HA GLU 36 107.534 53.901 37.845 662 1HB GLU 36 1HB GLU 36 106.893 52.062 39.160 663 2HB GLU 36 2HB GLU 36 106.133 53.077 40.380 664 1HG GLU 36 1HG GLU 36 104.153 53.152 39.271 665 2HG GLU 36 2HG GLU 36 104.924 53.237 37.687 666 H TYR 37 H TYR 37 106.355 56.109 40.282 667 HA TYR 37 HA TYR 37 104.042 57.040 38.752 668 1HB TYR 37 1HB TYR 37 104.202 57.070 41.225 669 2HB TYR 37 2HB TYR 37 105.550 58.204 41.116 670 HD1 TYR 37 HD1 TYR 37 102.212 57.928 39.386 671 HD2 TYR 37 HD2 TYR 37 104.901 60.370 41.719 672 HE1 TYR 37 HE1 TYR 37 100.605 59.828 39.248 673 HE2 TYR 37 HE2 TYR 37 103.294 62.271 41.581 674 HH TYR 37 HH TYR 37 100.792 62.547 41.221 675 H PHE 38 H PHE 38 106.988 58.790 39.822 676 HA PHE 38 HA PHE 38 106.703 60.979 38.035 677 1HB PHE 38 1HB PHE 38 109.008 59.676 39.486 678 2HB PHE 38 2HB PHE 38 109.249 61.123 38.506 679 HD1 PHE 38 HD1 PHE 38 106.839 62.701 38.930 680 HD2 PHE 38 HD2 PHE 38 109.070 60.314 41.753 681 HE1 PHE 38 HE1 PHE 38 105.982 64.110 40.798 682 HE2 PHE 38 HE2 PHE 38 108.212 61.724 43.623 683 HZ PHE 38 HZ PHE 38 106.668 63.621 43.145 684 H THR 39 H THR 39 108.691 58.008 37.664 685 HA THR 39 HA THR 39 109.865 58.565 35.169 686 HB THR 39 HB THR 39 108.786 55.971 36.314 687 HG1 THR 39 HG1 THR 39 110.432 56.173 37.576 688 1HG2 THR 39 1HG2 THR 39 109.820 56.487 33.738 689 2HG2 THR 39 2HG2 THR 39 111.118 55.703 34.640 690 3HG2 THR 39 3HG2 THR 39 109.548 54.913 34.486 691 H ARG 40 H ARG 40 106.729 56.918 35.770 692 HA ARG 40 HA ARG 40 105.966 56.600 33.048 693 1HB ARG 40 1HB ARG 40 104.703 56.672 35.737 694 2HB ARG 40 2HB ARG 40 103.612 56.922 34.373 695 1HG ARG 40 1HG ARG 40 104.783 54.850 33.334 696 2HG ARG 40 2HG ARG 40 105.351 54.536 34.974 697 1HD ARG 40 1HD ARG 40 103.187 54.155 35.793 698 2HD ARG 40 2HD ARG 40 102.427 55.081 34.483 699 HE ARG 40 HE ARG 40 103.800 52.986 33.222 700 1HH1 ARG 40 1HH1 ARG 40 102.843 51.685 35.870 701 2HH1 ARG 40 2HH1 ARG 40 101.367 50.955 35.337 702 1HH2 ARG 40 1HH2 ARG 40 101.224 52.771 32.386 703 2HH2 ARG 40 2HH2 ARG 40 100.450 51.569 33.364 704 H LEU 41 H LEU 41 105.918 59.404 35.156 705 HA LEU 41 HA LEU 41 104.036 61.042 33.769 706 1HB LEU 41 1HB LEU 41 105.668 61.184 35.988 707 2HB LEU 41 2HB LEU 41 106.418 62.358 34.906 708 HG LEU 41 HG LEU 41 104.125 63.361 34.550 709 1HD1 LEU 41 1HD1 LEU 41 103.488 61.164 36.457 710 2HD1 LEU 41 2HD1 LEU 41 102.669 62.704 36.717 711 3HD1 LEU 41 3HD1 LEU 41 102.499 61.864 35.176 712 1HD2 LEU 41 1HD2 LEU 41 105.924 63.601 36.747 713 2HD2 LEU 41 2HD2 LEU 41 104.824 64.826 36.113 714 3HD2 LEU 41 3HD2 LEU 41 104.287 63.737 37.393 715 H ARG 42 H ARG 42 107.542 60.569 33.305 716 HA ARG 42 HA ARG 42 108.084 62.555 31.394 717 1HB ARG 42 1HB ARG 42 109.203 60.089 32.387 718 2HB ARG 42 2HB ARG 42 109.435 60.173 30.640 719 1HG ARG 42 1HG ARG 42 111.129 61.615 30.964 720 2HG ARG 42 2HG ARG 42 109.988 62.763 31.665 721 1HD ARG 42 1HD ARG 42 111.286 62.506 33.542 722 2HD ARG 42 2HD ARG 42 110.341 61.019 33.757 723 HE ARG 42 HE ARG 42 113.102 61.171 32.736 724 1HH1 ARG 42 1HH2 ARG 42 112.187 59.166 34.759 725 2HH1 ARG 42 2HH2 ARG 42 112.056 57.723 33.810 726 1HH2 ARG 42 1HH1 ARG 42 112.068 59.402 30.776 727 2HH2 ARG 42 2HH1 ARG 42 111.988 57.857 31.555 728 H GLU 43 H GLU 43 107.356 59.138 30.575 729 HA GLU 43 HA GLU 43 106.873 59.615 27.801 730 1HB GLU 43 1HB GLU 43 106.358 57.491 29.833 731 2HB GLU 43 2HB GLU 43 105.480 57.369 28.308 732 1HG GLU 43 1HG GLU 43 107.699 57.658 27.120 733 2HG GLU 43 2HG GLU 43 108.482 57.491 28.692 734 H ALA 44 H ALA 44 104.887 60.161 30.603 735 HA ALA 44 HA ALA 44 102.284 59.991 29.398 736 1HB ALA 44 1HB ALA 44 103.481 60.603 31.882 737 2HB ALA 44 2HB ALA 44 102.522 62.021 31.447 738 3HB ALA 44 3HB ALA 44 101.756 60.432 31.551 739 H ARG 45 H ARG 45 104.193 62.899 30.235 740 HA ARG 45 HA ARG 45 102.632 64.853 29.045 741 1HB ARG 45 1HB ARG 45 104.871 64.904 30.378 742 2HB ARG 45 2HB ARG 45 105.634 64.845 28.788 743 1HG ARG 45 1HG ARG 45 105.424 67.114 28.875 744 2HG ARG 45 2HG ARG 45 103.762 66.786 28.381 745 1HD ARG 45 1HD ARG 45 102.909 67.156 30.514 746 2HD ARG 45 2HD ARG 45 104.431 66.707 31.309 747 HE ARG 45 HE ARG 45 104.159 69.227 29.710 748 1HH1 ARG 45 1HH2 ARG 45 103.617 69.546 32.603 749 2HH1 ARG 45 2HH2 ARG 45 105.180 69.919 33.247 750 1HH2 ARG 45 1HH1 ARG 45 106.895 68.783 30.455 751 2HH2 ARG 45 2HH1 ARG 45 107.036 69.485 32.032 752 H ARG 46 H ARG 46 105.018 62.761 27.437 753 HA ARG 46 HA ARG 46 103.683 63.101 24.856 754 1HB ARG 46 1HB ARG 46 105.040 65.209 25.253 755 2HB ARG 46 2HB ARG 46 106.486 64.199 25.221 756 1HG ARG 46 1HG ARG 46 105.181 63.378 22.947 757 2HG ARG 46 2HG ARG 46 104.775 65.094 22.998 758 1HD ARG 46 1HD ARG 46 107.570 64.733 23.666 759 2HD ARG 46 2HD ARG 46 107.205 63.975 22.102 760 HE ARG 46 HE ARG 46 106.601 66.828 22.773 761 1HH1 ARG 46 1HH1 ARG 46 105.450 64.717 20.561 762 2HH1 ARG 46 2HH1 ARG 46 106.101 65.494 19.156 763 1HH2 ARG 46 1HH2 ARG 46 108.147 67.634 20.960 764 2HH2 ARG 46 2HH2 ARG 46 107.628 67.144 19.382 Start of MODEL 9 1 1H HIS 1 1H HIS 1 82.872 51.375 60.503 2 2H HIS 1 2H HIS 1 81.729 50.134 60.667 3 3H HIS 1 3H HIS 1 81.326 51.724 61.113 4 HA HIS 1 HA HIS 1 81.743 50.680 63.152 5 1HB HIS 1 1HB HIS 1 83.719 49.163 63.348 6 2HB HIS 1 2HB HIS 1 82.595 48.637 62.094 7 HD1 HIS 1 HD1 HIS 1 83.558 48.324 59.804 8 HD2 HIS 1 HD2 HIS 1 85.997 50.715 62.192 9 HE1 HIS 1 HE1 HIS 1 85.654 48.778 58.458 10 H MET 2 H MET 2 83.482 51.259 64.803 11 HA MET 2 HA MET 2 84.500 53.929 64.290 12 1HB MET 2 1HB MET 2 83.636 52.851 66.462 13 2HB MET 2 2HB MET 2 85.214 52.069 66.568 14 1HG MET 2 1HG MET 2 86.278 54.341 66.395 15 2HG MET 2 2HG MET 2 84.665 55.050 66.490 16 1HE MET 2 1HE MET 2 87.580 53.868 67.798 17 2HE MET 2 2HE MET 2 87.521 54.257 69.515 18 3HE MET 2 3HE MET 2 87.182 52.610 68.965 19 H GLY 3 H GLY 3 86.242 54.114 62.899 20 1HA GLY 3 1HA GLY 3 88.579 52.315 63.415 21 2HA GLY 3 2HA GLY 3 88.130 52.822 61.786 22 H HIS 4 H HIS 4 90.687 53.370 62.743 23 HA HIS 4 HA HIS 4 90.572 56.347 63.111 24 1HB HIS 4 1HB HIS 4 91.871 54.186 64.628 25 2HB HIS 4 2HB HIS 4 92.959 55.514 64.222 26 HD1 HIS 4 HD1 HIS 4 91.103 54.617 66.967 27 HD2 HIS 4 HD2 HIS 4 91.083 58.099 64.675 28 HE1 HIS 4 HE1 HIS 4 90.100 56.428 68.426 29 H ILE 5 H ILE 5 92.879 57.267 62.512 30 HA ILE 5 HA ILE 5 93.670 56.029 59.901 31 HB ILE 5 HB ILE 5 93.867 58.850 61.009 32 1HG1 ILE 5 1HG1 ILE 5 92.277 59.140 58.929 33 2HG1 ILE 5 2HG1 ILE 5 91.988 57.414 59.152 34 1HG2 ILE 5 1HG2 ILE 5 95.068 57.518 58.655 35 2HG2 ILE 5 2HG2 ILE 5 94.256 59.046 58.314 36 3HG2 ILE 5 3HG2 ILE 5 95.565 58.988 59.493 37 1HD1 ILE 5 1HD1 ILE 5 91.846 59.211 61.544 38 2HD1 ILE 5 2HD1 ILE 5 90.491 59.196 60.415 39 3HD1 ILE 5 3HD1 ILE 5 90.982 57.707 61.222 40 H GLN 6 H GLN 6 95.498 54.794 60.224 41 HA GLN 6 HA GLN 6 97.637 55.892 62.019 42 1HB GLN 6 1HB GLN 6 96.923 53.074 61.143 43 2HB GLN 6 2HB GLN 6 98.308 53.476 62.159 44 1HG GLN 6 1HG GLN 6 95.776 54.646 63.094 45 2HG GLN 6 2HG GLN 6 95.792 52.881 63.104 46 1HE2 GLN 6 2HE2 GLN 6 97.601 55.738 64.298 47 2HE2 GLN 6 1HE2 GLN 6 98.330 54.927 65.599 48 H ILE 7 H ILE 7 98.456 57.199 60.182 49 HA ILE 7 HA ILE 7 99.255 56.049 57.675 50 HB ILE 7 HB ILE 7 100.439 58.164 57.420 51 1HG1 ILE 7 1HG1 ILE 7 100.315 59.679 59.589 52 2HG1 ILE 7 2HG1 ILE 7 100.307 58.118 60.416 53 1HG2 ILE 7 1HG2 ILE 7 97.714 57.919 58.241 54 2HG2 ILE 7 2HG2 ILE 7 98.354 59.415 58.923 55 3HG2 ILE 7 3HG2 ILE 7 98.428 59.137 57.183 56 1HD1 ILE 7 1HD1 ILE 7 102.280 57.863 58.451 57 2HD1 ILE 7 2HD1 ILE 7 102.512 59.487 59.103 58 3HD1 ILE 7 3HD1 ILE 7 102.549 58.090 60.180 59 HA PRO 8 HA PRO 8 102.890 53.888 58.891 60 1HB PRO 8 1HB PRO 8 104.254 53.896 56.525 61 2HB PRO 8 2HB PRO 8 102.841 52.865 56.826 62 1HG PRO 8 1HG PRO 8 103.023 55.441 55.353 63 2HG PRO 8 2HG PRO 8 102.081 53.991 54.978 64 1HD PRO 8 1HD PRO 8 101.007 56.222 56.111 65 2HD PRO 8 2HD PRO 8 100.367 54.584 56.378 66 HA PRO 9 HA PRO 9 105.437 57.512 59.739 67 1HB PRO 9 1HB PRO 9 107.069 56.304 61.576 68 2HB PRO 9 2HB PRO 9 105.439 56.887 61.968 69 1HG PRO 9 1HG PRO 9 106.366 54.120 61.371 70 2HG PRO 9 2HG PRO 9 105.193 54.683 62.572 71 1HD PRO 9 1HD PRO 9 104.471 53.557 60.205 72 2HD PRO 9 2HD PRO 9 103.476 54.760 61.056 73 H GLY 10 H GLY 10 107.725 58.037 59.340 74 1HA GLY 10 1HA GLY 10 109.979 57.308 58.671 75 2HA GLY 10 2HA GLY 10 109.241 55.898 57.909 76 H LEU 11 H LEU 11 107.072 57.366 56.653 77 HA LEU 11 HA LEU 11 108.295 58.070 54.171 78 1HB LEU 11 1HB LEU 11 105.979 57.324 54.417 79 2HB LEU 11 2HB LEU 11 105.599 58.743 55.394 80 HG LEU 11 HG LEU 11 106.808 59.287 52.740 81 1HD1 LEU 11 1HD1 LEU 11 104.705 57.432 52.896 82 2HD1 LEU 11 2HD1 LEU 11 103.937 58.961 52.472 83 3HD1 LEU 11 3HD1 LEU 11 105.228 58.312 51.462 84 1HD2 LEU 11 1HD2 LEU 11 104.774 60.455 54.607 85 2HD2 LEU 11 2HD2 LEU 11 106.162 61.229 53.843 86 3HD2 LEU 11 3HD2 LEU 11 104.707 60.901 52.902 87 H THR 12 H THR 12 107.498 59.980 57.023 88 HA THR 12 HA THR 12 107.545 62.595 55.946 89 HB THR 12 HB THR 12 108.578 61.530 58.595 90 HG1 THR 12 HG1 THR 12 106.510 61.753 59.264 91 1HG2 THR 12 1HG2 THR 12 109.048 64.003 57.736 92 2HG2 THR 12 2HG2 THR 12 107.376 64.243 58.243 93 3HG2 THR 12 3HG2 THR 12 108.580 63.692 59.408 94 H GLU 13 H GLU 13 110.250 60.600 57.151 95 HA GLU 13 HA GLU 13 112.338 62.495 56.747 96 1HB GLU 13 1HB GLU 13 111.981 59.594 57.155 97 2HB GLU 13 2HB GLU 13 113.478 60.027 56.331 98 1HG GLU 13 1HG GLU 13 114.353 61.037 58.176 99 2HG GLU 13 2HG GLU 13 112.800 61.726 58.653 100 H LEU 14 H LEU 14 110.849 60.147 54.528 101 HA LEU 14 HA LEU 14 112.732 60.553 52.366 102 1HB LEU 14 1HB LEU 14 110.069 59.280 52.830 103 2HB LEU 14 2HB LEU 14 110.547 59.581 51.159 104 HG LEU 14 HG LEU 14 112.851 58.528 52.089 105 1HD1 LEU 14 1HD1 LEU 14 110.646 57.596 53.888 106 2HD1 LEU 14 2HD1 LEU 14 111.891 56.441 53.416 107 3HD1 LEU 14 3HD1 LEU 14 112.337 57.920 54.267 108 1HD2 LEU 14 1HD2 LEU 14 111.089 57.828 50.223 109 2HD2 LEU 14 2HD2 LEU 14 112.325 56.695 50.767 110 3HD2 LEU 14 3HD2 LEU 14 110.684 56.579 51.400 111 H LEU 15 H LEU 15 109.427 61.806 52.981 112 HA LEU 15 HA LEU 15 109.298 63.454 50.633 113 1HB LEU 15 1HB LEU 15 107.794 62.872 53.046 114 2HB LEU 15 2HB LEU 15 107.737 64.598 52.685 115 HG LEU 15 HG LEU 15 105.899 63.409 51.550 116 1HD1 LEU 15 1HD1 LEU 15 107.749 65.171 50.392 117 2HD1 LEU 15 2HD1 LEU 15 107.488 63.927 49.170 118 3HD1 LEU 15 3HD1 LEU 15 106.117 64.833 49.813 119 1HD2 LEU 15 1HD2 LEU 15 107.244 61.243 51.378 120 2HD2 LEU 15 2HD2 LEU 15 106.308 61.676 49.946 121 3HD2 LEU 15 3HD2 LEU 15 108.048 61.962 49.983 122 H GLN 16 H GLN 16 109.844 64.437 54.050 123 HA GLN 16 HA GLN 16 110.501 67.132 53.612 124 1HB GLN 16 1HB GLN 16 110.464 65.317 55.702 125 2HB GLN 16 2HB GLN 16 112.172 65.744 55.599 126 1HG GLN 16 1HG GLN 16 111.450 68.177 55.562 127 2HG GLN 16 2HG GLN 16 109.824 67.621 55.958 128 1HE2 GLN 16 2HE2 GLN 16 110.303 68.976 58.012 129 2HE2 GLN 16 1HE2 GLN 16 111.095 68.188 59.291 130 H GLY 17 H GLY 17 112.370 64.259 52.913 131 1HA GLY 17 1HA GLY 17 114.961 65.490 52.742 132 2HA GLY 17 2HA GLY 17 114.492 63.985 51.947 133 H TYR 18 H TYR 18 112.661 64.573 50.138 134 HA TYR 18 HA TYR 18 113.933 65.730 47.937 135 1HB TYR 18 1HB TYR 18 111.560 64.520 48.464 136 2HB TYR 18 2HB TYR 18 111.007 66.174 48.203 137 HD1 TYR 18 HD1 TYR 18 113.691 64.015 46.688 138 HD2 TYR 18 HD2 TYR 18 110.239 66.519 46.023 139 HE1 TYR 18 HE1 TYR 18 113.946 63.712 44.224 140 HE2 TYR 18 HE2 TYR 18 110.493 66.219 43.561 141 HH TYR 18 HH TYR 18 111.878 65.472 41.926 142 H THR 19 H THR 19 112.014 67.332 50.447 143 HA THR 19 HA THR 19 111.804 69.911 49.233 144 HB THR 19 HB THR 19 112.118 69.424 52.192 145 HG1 THR 19 HG1 THR 19 110.139 68.465 52.235 146 1HG2 THR 19 1HG2 THR 19 111.403 71.630 50.813 147 2HG2 THR 19 2HG2 THR 19 109.821 70.867 50.986 148 3HG2 THR 19 3HG2 THR 19 110.773 71.259 52.418 149 H VAL 20 H VAL 20 114.307 68.452 51.309 150 HA VAL 20 HA VAL 20 115.899 70.907 51.424 151 HB VAL 20 HB VAL 20 116.420 68.014 52.178 152 1HG1 VAL 20 1HG1 VAL 20 118.005 70.550 52.563 153 2HG1 VAL 20 2HG1 VAL 20 118.150 69.213 53.704 154 3HG1 VAL 20 3HG1 VAL 20 118.565 68.972 52.007 155 1HG2 VAL 20 1HG2 VAL 20 114.542 69.258 53.348 156 2HG2 VAL 20 2HG2 VAL 20 115.830 68.695 54.413 157 3HG2 VAL 20 3HG2 VAL 20 115.758 70.392 53.937 158 H GLU 21 H GLU 21 115.683 68.146 49.288 159 HA GLU 21 HA GLU 21 118.386 68.565 48.164 160 1HB GLU 21 1HB GLU 21 116.299 66.903 46.798 161 2HB GLU 21 2HB GLU 21 118.009 66.567 47.032 162 1HG GLU 21 1HG GLU 21 117.045 66.558 49.620 163 2HG GLU 21 2HG GLU 21 115.714 65.848 48.704 164 H VAL 22 H VAL 22 115.046 68.680 46.929 165 HA VAL 22 HA VAL 22 115.581 69.837 44.410 166 HB VAL 22 HB VAL 22 113.187 70.254 46.230 167 1HG1 VAL 22 1HG1 VAL 22 113.533 70.267 43.222 168 2HG1 VAL 22 2HG1 VAL 22 111.978 70.330 44.048 169 3HG1 VAL 22 3HG1 VAL 22 113.130 71.651 44.239 170 1HG2 VAL 22 1HG2 VAL 22 114.294 67.830 45.332 171 2HG2 VAL 22 2HG2 VAL 22 112.667 68.069 45.969 172 3HG2 VAL 22 3HG2 VAL 22 112.954 68.153 44.231 173 H LEU 23 H LEU 23 115.295 71.351 47.600 174 HA LEU 23 HA LEU 23 115.320 74.075 46.460 175 1HB LEU 23 1HB LEU 23 115.217 72.815 49.198 176 2HB LEU 23 2HB LEU 23 115.476 74.549 49.018 177 HG LEU 23 HG LEU 23 113.157 73.024 47.797 178 1HD1 LEU 23 1HD1 LEU 23 113.049 73.118 50.278 179 2HD1 LEU 23 2HD1 LEU 23 113.229 74.871 50.203 180 3HD1 LEU 23 3HD1 LEU 23 111.793 74.103 49.528 181 1HD2 LEU 23 1HD2 LEU 23 114.220 75.766 47.571 182 2HD2 LEU 23 2HD2 LEU 23 113.140 74.887 46.489 183 3HD2 LEU 23 3HD2 LEU 23 112.494 75.689 47.921 184 H ARG 24 H ARG 24 117.523 71.961 48.320 185 HA ARG 24 HA ARG 24 119.664 73.910 48.478 186 1HB ARG 24 1HB ARG 24 119.315 71.975 50.006 187 2HB ARG 24 2HB ARG 24 119.678 70.880 48.671 188 1HG ARG 24 1HG ARG 24 121.884 71.110 49.037 189 2HG ARG 24 2HG ARG 24 121.755 72.860 48.849 190 1HD ARG 24 1HD ARG 24 121.792 73.217 51.103 191 2HD ARG 24 2HD ARG 24 120.723 71.837 51.427 192 HE ARG 24 HE ARG 24 123.360 71.023 50.482 193 1HH1 ARG 24 1HH2 ARG 24 124.015 72.682 52.851 194 2HH1 ARG 24 2HH2 ARG 24 123.875 71.554 54.157 195 1HH2 ARG 24 1HH1 ARG 24 122.069 69.237 52.313 196 2HH2 ARG 24 2HH1 ARG 24 122.774 69.602 53.852 197 H GLN 25 H GLN 25 119.264 70.946 46.481 198 HA GLN 25 HA GLN 25 121.570 71.538 44.830 199 1HB GLN 25 1HB GLN 25 120.879 69.268 45.214 200 2HB GLN 25 2HB GLN 25 119.224 69.623 44.724 201 1HG GLN 25 1HG GLN 25 119.709 69.494 42.509 202 2HG GLN 25 2HG GLN 25 121.302 70.221 42.710 203 1HE2 GLN 25 2HE2 GLN 25 120.794 67.799 41.146 204 2HE2 GLN 25 1HE2 GLN 25 121.633 66.532 41.902 205 H GLN 26 H GLN 26 118.070 72.041 44.567 206 HA GLN 26 HA GLN 26 116.792 73.231 42.971 207 1HB GLN 26 1HB GLN 26 119.275 74.634 43.629 208 2HB GLN 26 2HB GLN 26 118.621 75.121 42.064 209 1HG GLN 26 1HG GLN 26 116.598 75.864 42.996 210 2HG GLN 26 2HG GLN 26 116.818 74.912 44.465 211 1HE2 GLN 26 1HE2 GLN 26 116.273 77.699 44.641 212 2HE2 GLN 26 2HE2 GLN 26 117.655 78.491 45.225 213 HA PRO 27 HA PRO 27 119.083 71.057 39.493 214 1HB PRO 27 1HB PRO 27 117.170 69.162 38.987 215 2HB PRO 27 2HB PRO 27 118.493 68.916 40.145 216 1HG PRO 27 1HG PRO 27 115.656 69.677 40.648 217 2HG PRO 27 2HG PRO 27 116.703 68.566 41.547 218 1HD PRO 27 1HD PRO 27 116.181 71.094 42.380 219 2HD PRO 27 2HD PRO 27 117.710 70.257 42.728 220 HA PRO 28 HA PRO 28 116.622 73.361 36.649 221 1HB PRO 28 1HB PRO 28 117.448 72.260 34.282 222 2HB PRO 28 2HB PRO 28 118.450 73.378 35.233 223 1HG PRO 28 1HG PRO 28 118.572 70.408 35.061 224 2HG PRO 28 2HG PRO 28 119.888 71.590 35.153 225 1HD PRO 28 1HD PRO 28 119.042 70.125 37.286 226 2HD PRO 28 2HD PRO 28 119.771 71.740 37.435 227 H ASP 29 H ASP 29 116.527 69.875 36.741 228 HA ASP 29 HA ASP 29 113.740 69.954 35.645 229 1HB ASP 29 1HB ASP 29 114.319 67.799 34.494 230 2HB ASP 29 2HB ASP 29 115.263 69.168 33.907 231 H LEU 30 H LEU 30 112.449 69.288 37.317 232 HA LEU 30 HA LEU 30 113.489 67.670 39.526 233 1HB LEU 30 1HB LEU 30 111.860 69.515 39.794 234 2HB LEU 30 2HB LEU 30 110.703 68.635 38.796 235 HG LEU 30 HG LEU 30 111.149 66.703 40.554 236 1HD1 LEU 30 1HD1 LEU 30 112.525 68.988 41.675 237 2HD1 LEU 30 2HD1 LEU 30 111.212 68.487 42.741 238 3HD1 LEU 30 3HD1 LEU 30 112.459 67.331 42.276 239 1HD2 LEU 30 1HD2 LEU 30 109.090 68.376 40.058 240 2HD2 LEU 30 2HD2 LEU 30 109.069 67.216 41.387 241 3HD2 LEU 30 3HD2 LEU 30 109.493 68.901 41.693 242 H VAL 31 H VAL 31 111.411 67.154 36.697 243 HA VAL 31 HA VAL 31 110.255 64.662 37.278 244 HB VAL 31 HB VAL 31 111.490 65.633 34.676 245 1HG1 VAL 31 1HG1 VAL 31 109.214 63.699 35.233 246 2HG1 VAL 31 2HG1 VAL 31 109.735 64.234 33.636 247 3HG1 VAL 31 3HG1 VAL 31 110.815 63.261 34.634 248 1HG2 VAL 31 1HG2 VAL 31 109.105 66.437 36.247 249 2HG2 VAL 31 2HG2 VAL 31 110.030 67.354 35.058 250 3HG2 VAL 31 3HG2 VAL 31 108.823 66.183 34.525 251 H ASP 32 H ASP 32 113.211 65.027 35.313 252 HA ASP 32 HA ASP 32 114.074 62.347 35.412 253 1HB ASP 32 1HB ASP 32 114.923 64.842 34.453 254 2HB ASP 32 2HB ASP 32 116.240 64.298 35.497 255 H PHE 33 H PHE 33 114.739 65.027 37.666 256 HA PHE 33 HA PHE 33 116.601 63.681 39.358 257 1HB PHE 33 1HB PHE 33 116.087 66.115 39.328 258 2HB PHE 33 2HB PHE 33 114.494 65.772 40.004 259 HD1 PHE 33 HD1 PHE 33 117.951 64.473 40.749 260 HD2 PHE 33 HD2 PHE 33 114.397 66.410 42.253 261 HE1 PHE 33 HE1 PHE 33 118.920 64.467 43.045 262 HE2 PHE 33 HE2 PHE 33 115.367 66.404 44.550 263 HZ PHE 33 HZ PHE 33 117.629 65.433 44.946 264 H ALA 34 H ALA 34 113.070 64.142 39.805 265 HA ALA 34 HA ALA 34 112.709 62.547 42.094 266 1HB ALA 34 1HB ALA 34 111.171 63.884 40.143 267 2HB ALA 34 2HB ALA 34 110.568 62.228 40.159 268 3HB ALA 34 3HB ALA 34 110.581 63.175 41.646 269 H VAL 35 H VAL 35 112.876 61.568 38.671 270 HA VAL 35 HA VAL 35 112.296 58.766 39.217 271 HB VAL 35 HB VAL 35 113.442 60.309 36.866 272 1HG1 VAL 35 1HG1 VAL 35 113.280 57.475 37.349 273 2HG1 VAL 35 2HG1 VAL 35 112.195 57.915 36.031 274 3HG1 VAL 35 3HG1 VAL 35 113.908 58.321 35.937 275 1HG2 VAL 35 1HG2 VAL 35 110.670 59.244 37.494 276 2HG2 VAL 35 2HG2 VAL 35 111.150 60.940 37.443 277 3HG2 VAL 35 3HG2 VAL 35 111.137 59.982 35.962 278 H GLU 36 H GLU 36 115.159 60.794 39.054 279 HA GLU 36 HA GLU 36 117.046 58.566 38.877 280 1HB GLU 36 1HB GLU 36 117.689 60.594 37.853 281 2HB GLU 36 2HB GLU 36 117.089 61.566 39.192 282 1HG GLU 36 1HG GLU 36 119.522 61.551 39.231 283 2HG GLU 36 2HG GLU 36 118.910 60.658 40.621 284 H TYR 37 H TYR 37 116.199 60.990 41.384 285 HA TYR 37 HA TYR 37 117.804 59.983 43.482 286 1HB TYR 37 1HB TYR 37 116.642 62.137 43.495 287 2HB TYR 37 2HB TYR 37 115.080 61.321 43.491 288 HD1 TYR 37 HD1 TYR 37 118.300 61.003 45.431 289 HD2 TYR 37 HD2 TYR 37 113.997 61.327 45.556 290 HE1 TYR 37 HE1 TYR 37 118.362 60.866 47.918 291 HE2 TYR 37 HE2 TYR 37 114.058 61.190 48.043 292 HH TYR 37 HH TYR 37 117.019 60.431 49.775 293 H PHE 38 H PHE 38 114.271 59.442 43.165 294 HA PHE 38 HA PHE 38 114.020 57.440 45.121 295 1HB PHE 38 1HB PHE 38 112.575 58.191 42.598 296 2HB PHE 38 2HB PHE 38 112.052 56.769 43.502 297 HD1 PHE 38 HD1 PHE 38 112.223 57.309 46.250 298 HD2 PHE 38 HD2 PHE 38 111.311 60.102 43.085 299 HE1 PHE 38 HE1 PHE 38 111.045 58.778 47.885 300 HE2 PHE 38 HE2 PHE 38 110.133 61.570 44.721 301 HZ PHE 38 HZ PHE 38 110.000 60.907 47.120 302 H THR 39 H THR 39 114.468 56.913 41.582 303 HA THR 39 HA THR 39 114.578 54.100 41.614 304 HB THR 39 HB THR 39 116.019 56.190 39.955 305 HG1 THR 39 HG1 THR 39 114.261 56.111 38.773 306 1HG2 THR 39 1HG2 THR 39 116.302 53.285 39.976 307 2HG2 THR 39 2HG2 THR 39 115.747 53.886 38.414 308 3HG2 THR 39 3HG2 THR 39 117.249 54.495 39.110 309 H ARG 40 H ARG 40 116.953 56.421 42.734 310 HA ARG 40 HA ARG 40 119.178 54.523 42.793 311 1HB ARG 40 1HB ARG 40 119.319 57.036 42.560 312 2HB ARG 40 2HB ARG 40 118.800 57.162 44.242 313 1HG ARG 40 1HG ARG 40 120.787 56.309 45.067 314 2HG ARG 40 2HG ARG 40 121.103 55.360 43.614 315 1HD ARG 40 1HD ARG 40 122.488 57.007 42.907 316 2HD ARG 40 2HD ARG 40 121.088 58.094 42.818 317 HE ARG 40 HE ARG 40 121.515 58.319 45.406 318 1HH1 ARG 40 1HH1 ARG 40 124.137 56.724 44.858 319 2HH1 ARG 40 2HH1 ARG 40 125.285 58.021 44.886 320 1HH2 ARG 40 1HH2 ARG 40 122.883 60.506 44.618 321 2HH2 ARG 40 2HH2 ARG 40 124.575 60.160 44.752 322 H LEU 41 H LEU 41 116.579 55.481 44.937 323 HA LEU 41 HA LEU 41 117.758 54.464 47.389 324 1HB LEU 41 1HB LEU 41 115.327 55.736 46.424 325 2HB LEU 41 2HB LEU 41 114.950 54.449 47.569 326 HG LEU 41 HG LEU 41 117.119 56.455 48.165 327 1HD1 LEU 41 1HD1 LEU 41 114.621 57.333 47.633 328 2HD1 LEU 41 2HD1 LEU 41 114.410 56.866 49.321 329 3HD1 LEU 41 3HD1 LEU 41 115.638 58.053 48.882 330 1HD2 LEU 41 1HD2 LEU 41 115.527 54.387 49.621 331 2HD2 LEU 41 2HD2 LEU 41 117.233 54.804 49.778 332 3HD2 LEU 41 3HD2 LEU 41 116.003 55.829 50.518 333 H ARG 42 H ARG 42 115.969 53.060 44.722 334 HA ARG 42 HA ARG 42 115.087 50.662 46.064 335 1HB ARG 42 1HB ARG 42 114.004 51.421 44.068 336 2HB ARG 42 2HB ARG 42 115.534 51.550 43.203 337 1HG ARG 42 1HG ARG 42 115.421 49.407 42.555 338 2HG ARG 42 2HG ARG 42 115.166 48.867 44.212 339 1HD ARG 42 1HD ARG 42 112.953 48.544 43.831 340 2HD ARG 42 2HD ARG 42 112.784 50.176 43.154 341 HE ARG 42 HE ARG 42 114.139 48.198 41.427 342 1HH1 ARG 42 1HH1 ARG 42 112.103 50.804 41.440 343 2HH1 ARG 42 2HH1 ARG 42 110.959 50.172 40.303 344 1HH2 ARG 42 1HH2 ARG 42 112.309 46.978 40.318 345 2HH2 ARG 42 2HH2 ARG 42 111.077 48.007 39.667 346 H GLU 43 H GLU 43 118.062 51.664 44.460 347 HA GLU 43 HA GLU 43 119.227 49.064 44.080 348 1HB GLU 43 1HB GLU 43 120.092 51.922 44.193 349 2HB GLU 43 2HB GLU 43 121.350 50.690 44.299 350 1HG GLU 43 1HG GLU 43 120.248 49.623 42.236 351 2HG GLU 43 2HG GLU 43 119.365 51.141 42.066 352 H ALA 44 H ALA 44 119.202 51.324 46.811 353 HA ALA 44 HA ALA 44 121.199 50.107 48.435 354 1HB ALA 44 1HB ALA 44 119.209 52.132 48.583 355 2HB ALA 44 2HB ALA 44 118.966 51.075 49.978 356 3HB ALA 44 3HB ALA 44 120.534 51.848 49.714 357 H ARG 45 H ARG 45 117.670 49.802 48.900 358 HA ARG 45 HA ARG 45 117.655 47.679 50.692 359 1HB ARG 45 1HB ARG 45 115.849 48.855 48.669 360 2HB ARG 45 2HB ARG 45 115.429 47.217 49.174 361 1HG ARG 45 1HG ARG 45 116.127 49.260 51.259 362 2HG ARG 45 2HG ARG 45 114.517 49.277 50.539 363 1HD ARG 45 1HD ARG 45 114.198 46.906 51.174 364 2HD ARG 45 2HD ARG 45 115.816 46.890 51.905 365 HE ARG 45 HE ARG 45 115.034 48.521 53.555 366 1HH1 ARG 45 1HH1 ARG 45 112.688 48.268 51.131 367 2HH1 ARG 45 2HH1 ARG 45 111.333 48.309 52.209 368 1HH2 ARG 45 1HH2 ARG 45 113.272 48.148 55.079 369 2HH2 ARG 45 2HH2 ARG 45 111.664 48.242 54.444 370 H ARG 46 H ARG 46 116.829 47.128 47.264 371 HA ARG 46 HA ARG 46 117.794 44.343 47.471 372 1HB ARG 46 1HB ARG 46 115.634 45.246 46.366 373 2HB ARG 46 2HB ARG 46 116.685 45.761 45.046 374 1HG ARG 46 1HG ARG 46 116.263 43.658 44.256 375 2HG ARG 46 2HG ARG 46 117.557 43.215 45.370 376 1HD ARG 46 1HD ARG 46 116.127 42.056 46.699 377 2HD ARG 46 2HD ARG 46 114.956 43.391 46.711 378 HE ARG 46 HE ARG 46 113.911 42.453 44.779 379 1HH1 ARG 46 1HH2 ARG 46 114.906 39.894 46.230 380 2HH1 ARG 46 2HH2 ARG 46 115.532 39.004 44.883 381 1HH2 ARG 46 1HH1 ARG 46 115.567 41.741 42.752 382 2HH2 ARG 46 2HH1 ARG 46 115.906 40.050 42.912 383 1H HIS 1 1H HIS 1 124.243 89.692 48.952 384 2H HIS 1 2H HIS 1 125.546 90.674 48.487 385 3H HIS 1 3H HIS 1 124.870 90.840 50.037 386 HA HIS 1 HA HIS 1 123.980 92.642 48.859 387 1HB HIS 1 1HB HIS 1 123.150 92.269 46.533 388 2HB HIS 1 2HB HIS 1 124.855 91.847 46.708 389 HD1 HIS 1 HD1 HIS 1 125.498 89.529 46.019 390 HD2 HIS 1 HD2 HIS 1 121.401 89.850 46.720 391 HE1 HIS 1 HE1 HIS 1 124.482 87.302 45.366 392 H MET 2 H MET 2 121.606 93.100 48.400 393 HA MET 2 HA MET 2 119.918 91.537 50.173 394 1HB MET 2 1HB MET 2 119.903 94.051 49.623 395 2HB MET 2 2HB MET 2 119.069 93.605 48.135 396 1HG MET 2 1HG MET 2 117.353 92.413 49.530 397 2HG MET 2 2HG MET 2 118.140 93.063 50.968 398 1HE MET 2 1HE MET 2 115.900 93.122 48.407 399 2HE MET 2 2HE MET 2 114.868 94.517 48.716 400 3HE MET 2 3HE MET 2 116.148 94.611 47.498 401 H GLY 3 H GLY 3 119.308 89.500 49.471 402 1HA GLY 3 1HA GLY 3 118.174 89.308 46.708 403 2HA GLY 3 2HA GLY 3 119.114 87.999 47.427 404 H HIS 4 H HIS 4 116.523 87.500 46.539 405 HA HIS 4 HA HIS 4 115.053 87.137 49.131 406 1HB HIS 4 1HB HIS 4 114.311 88.363 46.559 407 2HB HIS 4 2HB HIS 4 113.133 87.189 47.145 408 HD1 HIS 4 HD1 HIS 4 113.451 90.607 47.247 409 HD2 HIS 4 HD2 HIS 4 113.067 87.806 50.311 410 HE1 HIS 4 HE1 HIS 4 112.586 91.867 49.267 411 H ILE 5 H ILE 5 113.282 85.334 48.742 412 HA ILE 5 HA ILE 5 114.641 83.051 47.359 413 HB ILE 5 HB ILE 5 112.633 83.208 49.630 414 1HG1 ILE 5 1HG1 ILE 5 114.731 82.099 50.771 415 2HG1 ILE 5 2HG1 ILE 5 115.613 82.848 49.438 416 1HG2 ILE 5 1HG2 ILE 5 113.606 80.977 47.950 417 2HG2 ILE 5 2HG2 ILE 5 113.669 80.684 49.687 418 3HG2 ILE 5 3HG2 ILE 5 112.138 81.100 48.918 419 1HD1 ILE 5 1HD1 ILE 5 113.644 84.509 50.967 420 2HD1 ILE 5 2HD1 ILE 5 115.216 84.177 51.694 421 3HD1 ILE 5 3HD1 ILE 5 115.120 85.004 50.140 422 H GLN 6 H GLN 6 113.720 82.790 45.345 423 HA GLN 6 HA GLN 6 110.743 83.064 45.115 424 1HB GLN 6 1HB GLN 6 113.005 83.341 43.109 425 2HB GLN 6 2HB GLN 6 111.295 83.469 42.699 426 1HG GLN 6 1HG GLN 6 112.093 85.144 44.983 427 2HG GLN 6 2HG GLN 6 112.881 85.583 43.467 428 1HE2 GLN 6 2HE2 GLN 6 109.650 85.054 44.927 429 2HE2 GLN 6 1HE2 GLN 6 108.816 86.028 43.815 430 H ILE 7 H ILE 7 110.516 80.796 45.872 431 HA ILE 7 HA ILE 7 111.770 78.574 44.557 432 HB ILE 7 HB ILE 7 110.083 77.291 45.762 433 1HG1 ILE 7 1HG1 ILE 7 108.350 78.824 47.048 434 2HG1 ILE 7 2HG1 ILE 7 108.637 79.919 45.693 435 1HG2 ILE 7 1HG2 ILE 7 111.729 79.311 46.936 436 2HG2 ILE 7 2HG2 ILE 7 110.231 79.225 47.862 437 3HG2 ILE 7 3HG2 ILE 7 111.216 77.779 47.641 438 1HD1 ILE 7 1HD1 ILE 7 108.355 77.397 44.516 439 2HD1 ILE 7 2HD1 ILE 7 107.105 77.450 45.761 440 3HD1 ILE 7 3HD1 ILE 7 107.160 78.694 44.512 441 HA PRO 8 HA PRO 8 109.503 78.468 40.787 442 1HB PRO 8 1HB PRO 8 109.750 75.819 40.164 443 2HB PRO 8 2HB PRO 8 111.083 76.982 40.004 444 1HG PRO 8 1HG PRO 8 110.546 75.007 42.160 445 2HG PRO 8 2HG PRO 8 112.083 75.483 41.422 446 1HD PRO 8 1HD PRO 8 111.242 76.389 43.848 447 2HD PRO 8 2HD PRO 8 112.314 77.316 42.774 448 HA PRO 9 HA PRO 9 105.570 77.124 42.537 449 1HB PRO 9 1HB PRO 9 103.987 78.237 40.599 450 2HB PRO 9 2HB PRO 9 104.692 79.178 41.929 451 1HG PRO 9 1HG PRO 9 105.596 78.928 39.103 452 2HG PRO 9 2HG PRO 9 105.562 80.351 40.155 453 1HD PRO 9 1HD PRO 9 107.827 78.939 39.637 454 2HD PRO 9 2HD PRO 9 107.557 79.827 41.152 455 H GLY 10 H GLY 10 103.889 75.600 41.813 456 1HA GLY 10 1HA GLY 10 102.947 74.169 40.044 457 2HA GLY 10 2HA GLY 10 104.521 74.209 39.247 458 H LEU 11 H LEU 11 106.067 73.778 41.667 459 HA LEU 11 HA LEU 11 106.162 70.924 41.716 460 1HB LEU 11 1HB LEU 11 108.041 72.384 42.271 461 2HB LEU 11 2HB LEU 11 107.157 73.043 43.649 462 HG LEU 11 HG LEU 11 107.422 70.088 43.575 463 1HD1 LEU 11 1HD1 LEU 11 109.706 71.645 43.071 464 2HD1 LEU 11 2HD1 LEU 11 109.782 71.266 44.792 465 3HD1 LEU 11 3HD1 LEU 11 109.674 69.965 43.607 466 1HD2 LEU 11 1HD2 LEU 11 107.381 72.330 45.565 467 2HD2 LEU 11 2HD2 LEU 11 106.428 70.847 45.534 468 3HD2 LEU 11 3HD2 LEU 11 108.117 70.800 46.037 469 H THR 12 H THR 12 104.376 73.251 43.670 470 HA THR 12 HA THR 12 103.704 71.665 45.913 471 HB THR 12 HB THR 12 102.065 73.709 44.380 472 HG1 THR 12 HG1 THR 12 103.106 75.178 45.619 473 1HG2 THR 12 1HG2 THR 12 101.045 72.153 46.280 474 2HG2 THR 12 2HG2 THR 12 101.878 73.295 47.334 475 3HG2 THR 12 3HG2 THR 12 100.654 73.870 46.203 476 H GLU 13 H GLU 13 102.040 71.938 42.766 477 HA GLU 13 HA GLU 13 99.882 70.163 43.317 478 1HB GLU 13 1HB GLU 13 101.251 71.394 41.011 479 2HB GLU 13 2HB GLU 13 100.406 69.893 40.630 480 1HG GLU 13 1HG GLU 13 98.351 70.811 40.978 481 2HG GLU 13 2HG GLU 13 98.903 71.760 42.359 482 H LEU 14 H LEU 14 103.187 69.535 42.160 483 HA LEU 14 HA LEU 14 102.772 66.725 41.601 484 1HB LEU 14 1HB LEU 14 105.029 68.662 41.877 485 2HB LEU 14 2HB LEU 14 105.420 66.943 41.943 486 HG LEU 14 HG LEU 14 103.756 66.932 39.819 487 1HD1 LEU 14 1HD1 LEU 14 104.833 69.713 40.104 488 2HD1 LEU 14 2HD1 LEU 14 104.709 69.020 38.487 489 3HD1 LEU 14 3HD1 LEU 14 103.268 69.177 39.492 490 1HD2 LEU 14 1HD2 LEU 14 106.318 66.325 40.194 491 2HD2 LEU 14 2HD2 LEU 14 105.663 66.503 38.566 492 3HD2 LEU 14 3HD2 LEU 14 106.570 67.825 39.302 493 H LEU 15 H LEU 15 104.258 68.464 44.362 494 HA LEU 15 HA LEU 15 104.823 66.117 45.916 495 1HB LEU 15 1HB LEU 15 104.917 69.011 46.114 496 2HB LEU 15 2HB LEU 15 104.357 68.308 47.632 497 HG LEU 15 HG LEU 15 106.815 68.476 47.605 498 1HD1 LEU 15 1HD1 LEU 15 105.281 66.206 48.197 499 2HD1 LEU 15 2HD1 LEU 15 106.673 65.587 47.309 500 3HD1 LEU 15 3HD1 LEU 15 106.914 66.546 48.768 501 1HD2 LEU 15 1HD2 LEU 15 106.926 68.239 45.063 502 2HD2 LEU 15 2HD2 LEU 15 108.148 67.345 45.967 503 3HD2 LEU 15 3HD2 LEU 15 106.744 66.503 45.308 504 H GLN 16 H GLN 16 102.197 68.535 46.359 505 HA GLN 16 HA GLN 16 100.719 67.194 48.337 506 1HB GLN 16 1HB GLN 16 100.484 69.439 46.733 507 2HB GLN 16 2HB GLN 16 99.113 68.456 46.219 508 1HG GLN 16 1HG GLN 16 98.539 68.159 48.671 509 2HG GLN 16 2HG GLN 16 99.760 69.382 49.027 510 1HE2 GLN 16 2HE2 GLN 16 97.724 70.579 49.870 511 2HE2 GLN 16 1HE2 GLN 16 96.849 71.500 48.744 512 H GLY 17 H GLY 17 101.054 66.448 44.936 513 1HA GLY 17 1HA GLY 17 98.717 64.803 44.646 514 2HA GLY 17 2HA GLY 17 100.159 64.712 43.633 515 H TYR 18 H TYR 18 102.152 63.867 45.143 516 HA TYR 18 HA TYR 18 101.854 61.120 45.547 517 1HB TYR 18 1HB TYR 18 103.840 62.962 45.728 518 2HB TYR 18 2HB TYR 18 103.617 62.586 47.437 519 HD1 TYR 18 HD1 TYR 18 103.458 60.592 44.252 520 HD2 TYR 18 HD2 TYR 18 105.155 60.996 48.200 521 HE1 TYR 18 HE1 TYR 18 104.696 58.447 43.940 522 HE2 TYR 18 HE2 TYR 18 106.392 58.853 47.891 523 HH TYR 18 HH TYR 18 106.570 56.997 46.589 524 H THR 19 H THR 19 101.196 63.749 47.829 525 HA THR 19 HA THR 19 100.798 62.176 50.181 526 HB THR 19 HB THR 19 99.253 64.673 49.502 527 HG1 THR 19 HG1 THR 19 101.096 65.859 49.717 528 1HG2 THR 19 1HG2 THR 19 99.479 63.287 51.805 529 2HG2 THR 19 2HG2 THR 19 100.876 64.350 51.965 530 3HG2 THR 19 3HG2 THR 19 99.265 65.036 51.759 531 H VAL 20 H VAL 20 98.580 63.153 47.568 532 HA VAL 20 HA VAL 20 96.252 61.911 48.837 533 HB VAL 20 HB VAL 20 96.802 63.026 46.070 534 1HG1 VAL 20 1HG1 VAL 20 94.305 61.991 47.404 535 2HG1 VAL 20 2HG1 VAL 20 94.209 63.229 46.152 536 3HG1 VAL 20 3HG1 VAL 20 94.910 61.653 45.782 537 1HG2 VAL 20 1HG2 VAL 20 96.970 64.581 48.072 538 2HG2 VAL 20 2HG2 VAL 20 95.749 65.033 46.883 539 3HG2 VAL 20 3HG2 VAL 20 95.268 64.241 48.384 540 H GLU 21 H GLU 21 98.783 60.870 46.661 541 HA GLU 21 HA GLU 21 97.229 58.565 45.656 542 1HB GLU 21 1HB GLU 21 100.204 58.772 45.367 543 2HB GLU 21 2HB GLU 21 99.006 58.262 44.184 544 1HG GLU 21 1HG GLU 21 98.355 60.918 44.590 545 2HG GLU 21 2HG GLU 21 100.116 60.924 44.701 546 H VAL 22 H VAL 22 100.226 59.019 47.523 547 HA VAL 22 HA VAL 22 100.625 56.342 48.322 548 HB VAL 22 HB VAL 22 101.210 58.897 49.854 549 1HG1 VAL 22 1HG1 VAL 22 102.527 56.171 49.789 550 2HG1 VAL 22 2HG1 VAL 22 103.187 57.579 50.619 551 3HG1 VAL 22 3HG1 VAL 22 101.654 56.883 51.146 552 1HG2 VAL 22 1HG2 VAL 22 101.985 58.223 47.239 553 2HG2 VAL 22 2HG2 VAL 22 102.723 59.450 48.268 554 3HG2 VAL 22 3HG2 VAL 22 103.376 57.811 48.240 555 H LEU 23 H LEU 23 98.475 58.819 49.655 556 HA LEU 23 HA LEU 23 97.810 57.167 52.010 557 1HB LEU 23 1HB LEU 23 97.032 59.859 50.896 558 2HB LEU 23 2HB LEU 23 96.145 59.159 52.250 559 HG LEU 23 HG LEU 23 99.150 59.566 52.192 560 1HD1 LEU 23 1HD1 LEU 23 97.884 61.706 52.248 561 2HD1 LEU 23 2HD1 LEU 23 96.997 61.125 53.657 562 3HD1 LEU 23 3HD1 LEU 23 98.735 61.404 53.763 563 1HD2 LEU 23 1HD2 LEU 23 97.248 58.204 53.991 564 2HD2 LEU 23 2HD2 LEU 23 98.994 58.000 53.839 565 3HD2 LEU 23 3HD2 LEU 23 98.342 59.320 54.809 566 H ARG 24 H ARG 24 96.214 58.261 49.003 567 HA ARG 24 HA ARG 24 93.702 56.924 49.553 568 1HB ARG 24 1HB ARG 24 94.036 58.866 48.032 569 2HB ARG 24 2HB ARG 24 94.974 57.836 46.950 570 1HG ARG 24 1HG ARG 24 93.089 57.070 45.992 571 2HG ARG 24 2HG ARG 24 92.481 56.536 47.559 572 1HD ARG 24 1HD ARG 24 91.113 58.351 47.771 573 2HD ARG 24 2HD ARG 24 92.344 59.462 47.136 574 HE ARG 24 HE ARG 24 91.312 57.642 45.105 575 1HH1 ARG 24 1HH2 ARG 24 88.846 58.947 46.105 576 2HH1 ARG 24 2HH2 ARG 24 88.779 60.403 45.169 577 1HH2 ARG 24 1HH1 ARG 24 92.103 60.238 44.190 578 2HH2 ARG 24 2HH1 ARG 24 90.625 61.135 44.086 579 H GLN 25 H GLN 25 96.386 56.137 47.291 580 HA GLN 25 HA GLN 25 95.316 53.521 46.660 581 1HB GLN 25 1HB GLN 25 96.647 54.723 45.064 582 2HB GLN 25 2HB GLN 25 97.934 54.985 46.240 583 1HG GLN 25 1HG GLN 25 98.802 52.904 45.954 584 2HG GLN 25 2HG GLN 25 97.218 52.160 45.744 585 1HE2 GLN 25 2HE2 GLN 25 99.508 51.662 43.990 586 2HE2 GLN 25 1HE2 GLN 25 99.087 52.230 42.446 587 H GLN 26 H GLN 26 97.743 54.788 48.910 588 HA GLN 26 HA GLN 26 98.953 53.724 50.644 589 1HB GLN 26 1HB GLN 26 96.177 52.796 50.536 590 2HB GLN 26 2HB GLN 26 97.241 51.642 51.341 591 1HG GLN 26 1HG GLN 26 97.878 53.187 52.992 592 2HG GLN 26 2HG GLN 26 97.383 54.573 52.019 593 1HE2 GLN 26 2HE2 GLN 26 96.413 54.287 54.680 594 2HE2 GLN 26 1HE2 GLN 26 94.751 53.947 54.623 595 HA PRO 27 HA PRO 27 100.110 50.235 47.713 596 1HB PRO 27 1HB PRO 27 102.617 51.152 47.101 597 2HB PRO 27 2HB PRO 27 101.172 51.593 46.169 598 1HG PRO 27 1HG PRO 27 102.608 53.138 48.273 599 2HG PRO 27 2HG PRO 27 101.894 53.698 46.751 600 1HD PRO 27 1HD PRO 27 100.680 54.026 49.155 601 2HD PRO 27 2HD PRO 27 99.780 53.827 47.636 602 HA PRO 28 HA PRO 28 102.317 48.378 51.052 603 1HB PRO 28 1HB PRO 28 103.458 46.250 49.759 604 2HB PRO 28 2HB PRO 28 101.732 46.322 50.167 605 1HG PRO 28 1HG PRO 28 103.085 46.851 47.569 606 2HG PRO 28 2HG PRO 28 101.550 46.033 47.897 607 1HD PRO 28 1HD PRO 28 101.714 48.602 47.012 608 2HD PRO 28 2HD PRO 28 100.376 47.994 48.012 609 H ASP 29 H ASP 29 103.928 49.359 48.117 610 HA ASP 29 HA ASP 29 106.473 49.690 49.664 611 1HB ASP 29 1HB ASP 29 107.640 48.974 47.557 612 2HB ASP 29 2HB ASP 29 106.644 47.700 48.259 613 H LEU 30 H LEU 30 106.837 51.872 49.708 614 HA LEU 30 HA LEU 30 105.669 53.675 47.714 615 1HB LEU 30 1HB LEU 30 105.863 54.202 50.126 616 2HB LEU 30 2HB LEU 30 107.620 54.100 50.004 617 HG LEU 30 HG LEU 30 107.265 55.868 48.064 618 1HD1 LEU 30 1HD1 LEU 30 104.643 55.624 49.259 619 2HD1 LEU 30 2HD1 LEU 30 105.258 57.260 49.484 620 3HD1 LEU 30 3HD1 LEU 30 105.137 56.579 47.862 621 1HD2 LEU 30 1HD2 LEU 30 108.239 55.988 50.577 622 2HD2 LEU 30 2HD2 LEU 30 108.086 57.417 49.555 623 3HD2 LEU 30 3HD2 LEU 30 106.851 57.062 50.763 624 H VAL 31 H VAL 31 108.877 52.350 48.447 625 HA VAL 31 HA VAL 31 110.548 53.991 46.899 626 HB VAL 31 HB VAL 31 110.570 50.965 47.174 627 1HG1 VAL 31 1HG1 VAL 31 112.800 52.966 46.679 628 2HG1 VAL 31 2HG1 VAL 31 113.017 51.232 46.921 629 3HG1 VAL 31 3HG1 VAL 31 112.161 51.823 45.496 630 1HG2 VAL 31 1HG2 VAL 31 111.108 53.206 49.044 631 2HG2 VAL 31 2HG2 VAL 31 110.638 51.541 49.389 632 3HG2 VAL 31 3HG2 VAL 31 112.321 51.925 49.029 633 H ASP 32 H ASP 32 109.278 50.863 45.741 634 HA ASP 32 HA ASP 32 109.829 51.213 43.001 635 1HB ASP 32 1HB ASP 32 108.572 49.390 44.723 636 2HB ASP 32 2HB ASP 32 107.331 49.808 43.539 637 H PHE 33 H PHE 33 106.946 52.166 44.870 638 HA PHE 33 HA PHE 33 105.341 53.083 42.698 639 1HB PHE 33 1HB PHE 33 104.610 52.694 45.044 640 2HB PHE 33 2HB PHE 33 105.563 54.087 45.557 641 HD1 PHE 33 HD1 PHE 33 103.278 53.451 42.631 642 HD2 PHE 33 HD2 PHE 33 104.169 55.897 46.077 643 HE1 PHE 33 HE1 PHE 33 101.385 54.963 42.047 644 HE2 PHE 33 HE2 PHE 33 102.276 57.409 45.492 645 HZ PHE 33 HZ PHE 33 100.883 56.942 43.477 646 H ALA 34 H ALA 34 107.441 54.979 44.907 647 HA ALA 34 HA ALA 34 107.234 57.490 43.654 648 1HB ALA 34 1HB ALA 34 108.748 56.207 45.658 649 2HB ALA 34 2HB ALA 34 109.932 56.905 44.554 650 3HB ALA 34 3HB ALA 34 108.715 57.935 45.308 651 H VAL 35 H VAL 35 109.343 54.734 42.842 652 HA VAL 35 HA VAL 35 110.758 56.156 40.729 653 HB VAL 35 HB VAL 35 110.455 53.245 41.537 654 1HG1 VAL 35 1HG1 VAL 35 111.616 54.430 39.182 655 2HG1 VAL 35 2HG1 VAL 35 112.883 53.695 40.162 656 3HG1 VAL 35 3HG1 VAL 35 111.511 52.727 39.626 657 1HG2 VAL 35 1HG2 VAL 35 112.608 55.324 42.037 658 2HG2 VAL 35 2HG2 VAL 35 111.518 54.639 43.242 659 3HG2 VAL 35 3HG2 VAL 35 112.739 53.622 42.478 660 H GLU 36 H GLU 36 107.852 54.206 40.991 661 HA GLU 36 HA GLU 36 107.606 53.726 38.114 662 1HB GLU 36 1HB GLU 36 106.749 52.060 39.551 663 2HB GLU 36 2HB GLU 36 106.039 53.241 40.646 664 1HG GLU 36 1HG GLU 36 104.273 52.154 39.372 665 2HG GLU 36 2HG GLU 36 104.396 53.842 38.881 666 H TYR 37 H TYR 37 105.802 55.658 40.539 667 HA TYR 37 HA TYR 37 104.012 56.955 38.778 668 1HB TYR 37 1HB TYR 37 103.854 56.968 41.220 669 2HB TYR 37 2HB TYR 37 105.355 57.885 41.336 670 HD1 TYR 37 HD1 TYR 37 102.172 58.136 39.328 671 HD2 TYR 37 HD2 TYR 37 105.056 60.144 41.835 672 HE1 TYR 37 HE1 TYR 37 100.895 60.263 39.093 673 HE2 TYR 37 HE2 TYR 37 103.779 62.272 41.600 674 HH TYR 37 HH TYR 37 101.089 62.568 39.356 675 H PHE 38 H PHE 38 106.974 58.442 40.155 676 HA PHE 38 HA PHE 38 107.046 60.722 38.512 677 1HB PHE 38 1HB PHE 38 109.059 59.054 39.989 678 2HB PHE 38 2HB PHE 38 109.615 60.415 39.014 679 HD1 PHE 38 HD1 PHE 38 107.811 62.546 39.293 680 HD2 PHE 38 HD2 PHE 38 108.841 59.582 42.260 681 HE1 PHE 38 HE1 PHE 38 107.136 64.123 41.103 682 HE2 PHE 38 HE2 PHE 38 108.166 61.158 44.068 683 HZ PHE 38 HZ PHE 38 107.314 63.428 43.491 684 H THR 39 H THR 39 108.805 57.626 37.949 685 HA THR 39 HA THR 39 110.001 58.294 35.487 686 HB THR 39 HB THR 39 108.867 55.703 36.582 687 HG1 THR 39 HG1 THR 39 110.789 55.520 37.464 688 1HG2 THR 39 1HG2 THR 39 109.986 56.304 33.954 689 2HG2 THR 39 2HG2 THR 39 110.924 55.081 34.810 690 3HG2 THR 39 3HG2 THR 39 109.201 54.832 34.525 691 H ARG 40 H ARG 40 106.642 57.580 36.198 692 HA ARG 40 HA ARG 40 105.876 57.077 33.421 693 1HB ARG 40 1HB ARG 40 104.745 56.201 35.506 694 2HB ARG 40 2HB ARG 40 104.189 57.845 35.823 695 1HG ARG 40 1HG ARG 40 102.715 57.841 34.041 696 2HG ARG 40 2HG ARG 40 103.676 56.690 33.114 697 1HD ARG 40 1HD ARG 40 102.299 55.042 33.830 698 2HD ARG 40 2HD ARG 40 102.857 55.346 35.487 699 HE ARG 40 HE ARG 40 101.096 57.298 35.370 700 1HH1 ARG 40 1HH1 ARG 40 100.225 56.015 32.667 701 2HH1 ARG 40 2HH1 ARG 40 98.792 55.186 33.177 702 1HH2 ARG 40 1HH2 ARG 40 99.523 55.453 36.557 703 2HH2 ARG 40 2HH2 ARG 40 98.393 54.871 35.381 704 H LEU 41 H LEU 41 106.186 59.867 35.521 705 HA LEU 41 HA LEU 41 104.529 61.666 33.957 706 1HB LEU 41 1HB LEU 41 106.203 61.649 36.335 707 2HB LEU 41 2HB LEU 41 106.465 63.117 35.392 708 HG LEU 41 HG LEU 41 103.675 62.132 35.961 709 1HD1 LEU 41 1HD1 LEU 41 105.350 62.615 38.025 710 2HD1 LEU 41 2HD1 LEU 41 104.831 64.265 37.679 711 3HD1 LEU 41 3HD1 LEU 41 103.636 63.028 38.070 712 1HD2 LEU 41 1HD2 LEU 41 105.010 64.615 34.973 713 2HD2 LEU 41 2HD2 LEU 41 103.506 63.862 34.441 714 3HD2 LEU 41 3HD2 LEU 41 103.540 64.806 35.929 715 H ARG 42 H ARG 42 107.851 60.561 33.771 716 HA ARG 42 HA ARG 42 108.880 62.706 32.135 717 1HB ARG 42 1HB ARG 42 110.357 61.317 33.411 718 2HB ARG 42 2HB ARG 42 109.647 59.843 32.757 719 1HG ARG 42 1HG ARG 42 111.043 59.871 31.003 720 2HG ARG 42 2HG ARG 42 110.608 61.536 30.622 721 1HD ARG 42 1HD ARG 42 112.551 62.306 31.500 722 2HD ARG 42 2HD ARG 42 112.278 61.410 33.007 723 HE ARG 42 HE ARG 42 113.105 59.793 30.678 724 1HH1 ARG 42 1HH1 ARG 42 113.374 60.104 33.958 725 2HH1 ARG 42 2HH1 ARG 42 115.080 59.819 34.048 726 1HH2 ARG 42 1HH2 ARG 42 115.558 59.995 30.617 727 2HH2 ARG 42 2HH2 ARG 42 116.317 59.756 32.157 728 H GLU 43 H GLU 43 107.117 59.720 31.501 729 HA GLU 43 HA GLU 43 107.667 59.498 28.689 730 1HB GLU 43 1HB GLU 43 105.671 58.497 30.675 731 2HB GLU 43 2HB GLU 43 105.281 58.309 28.964 732 1HG GLU 43 1HG GLU 43 107.636 57.316 28.702 733 2HG GLU 43 2HG GLU 43 107.662 57.210 30.463 734 H ALA 44 H ALA 44 105.228 61.282 30.540 735 HA ALA 44 HA ALA 44 103.498 62.043 28.410 736 1HB ALA 44 1HB ALA 44 103.922 62.583 31.166 737 2HB ALA 44 2HB ALA 44 103.855 64.146 30.348 738 3HB ALA 44 3HB ALA 44 102.511 63.010 30.197 739 H ARG 45 H ARG 45 105.937 64.143 29.965 740 HA ARG 45 HA ARG 45 105.978 66.203 28.099 741 1HB ARG 45 1HB ARG 45 107.801 65.023 30.106 742 2HB ARG 45 2HB ARG 45 108.587 66.051 28.906 743 1HG ARG 45 1HG ARG 45 106.065 67.003 30.226 744 2HG ARG 45 2HG ARG 45 107.594 67.128 31.095 745 1HD ARG 45 1HD ARG 45 108.571 68.401 29.213 746 2HD ARG 45 2HD ARG 45 107.031 68.282 28.339 747 HE ARG 45 HE ARG 45 105.991 69.647 30.084 748 1HH1 ARG 45 1HH1 ARG 45 109.061 68.723 31.163 749 2HH1 ARG 45 2HH1 ARG 45 109.456 70.256 31.866 750 1HH2 ARG 45 1HH2 ARG 45 106.634 71.849 30.631 751 2HH2 ARG 45 2HH2 ARG 45 108.082 72.025 31.565 752 H ARG 46 H ARG 46 108.613 63.795 28.172 753 HA ARG 46 HA ARG 46 109.081 64.212 25.284 754 1HB ARG 46 1HB ARG 46 110.802 64.043 27.212 755 2HB ARG 46 2HB ARG 46 110.498 62.307 27.152 756 1HG ARG 46 1HG ARG 46 112.179 62.350 25.602 757 2HG ARG 46 2HG ARG 46 110.866 62.806 24.514 758 1HD ARG 46 1HD ARG 46 111.729 64.884 24.216 759 2HD ARG 46 2HD ARG 46 111.957 65.110 25.963 760 HE ARG 46 HE ARG 46 114.147 64.175 25.769 761 1HH1 ARG 46 1HH2 ARG 46 113.848 65.582 23.017 762 2HH1 ARG 46 2HH2 ARG 46 114.505 64.363 21.979 763 1HH2 ARG 46 1HH1 ARG 46 114.340 61.860 24.373 764 2HH2 ARG 46 2HH1 ARG 46 114.786 62.254 22.747 Start of MODEL 10 1 1H HIS 1 1H HIS 1 83.333 65.170 67.856 2 2H HIS 1 2H HIS 1 82.316 66.237 67.011 3 3H HIS 1 3H HIS 1 82.032 64.563 66.954 4 HA HIS 1 HA HIS 1 83.057 65.012 64.910 5 1HB HIS 1 1HB HIS 1 84.110 67.138 66.569 6 2HB HIS 1 2HB HIS 1 85.412 66.399 65.634 7 HD1 HIS 1 HD1 HIS 1 85.699 68.071 63.763 8 HD2 HIS 1 HD2 HIS 1 81.712 66.973 64.297 9 HE1 HIS 1 HE1 HIS 1 84.408 69.097 61.839 10 H MET 2 H MET 2 85.576 65.053 67.463 11 HA MET 2 HA MET 2 87.310 63.507 67.905 12 1HB MET 2 1HB MET 2 85.140 62.294 68.459 13 2HB MET 2 2HB MET 2 85.254 61.537 66.870 14 1HG MET 2 1HG MET 2 87.411 60.557 67.442 15 2HG MET 2 2HG MET 2 87.414 61.397 68.993 16 1HE MET 2 1HE MET 2 88.053 58.625 69.150 17 2HE MET 2 2HE MET 2 87.584 59.444 70.638 18 3HE MET 2 3HE MET 2 86.920 57.854 70.269 19 H GLY 3 H GLY 3 88.414 64.488 65.926 20 1HA GLY 3 1HA GLY 3 89.499 62.465 64.252 21 2HA GLY 3 2HA GLY 3 88.243 63.302 63.338 22 H HIS 4 H HIS 4 91.492 63.438 64.376 23 HA HIS 4 HA HIS 4 91.704 66.247 63.342 24 1HB HIS 4 1HB HIS 4 92.718 64.891 65.800 25 2HB HIS 4 2HB HIS 4 93.774 66.085 65.045 26 HD1 HIS 4 HD1 HIS 4 93.384 68.402 65.858 27 HD2 HIS 4 HD2 HIS 4 89.908 66.109 66.077 28 HE1 HIS 4 HE1 HIS 4 91.601 69.896 66.861 29 H ILE 5 H ILE 5 94.036 63.714 64.292 30 HA ILE 5 HA ILE 5 95.310 64.014 61.594 31 HB ILE 5 HB ILE 5 96.630 64.732 63.557 32 1HG1 ILE 5 1HG1 ILE 5 98.483 62.840 63.253 33 2HG1 ILE 5 2HG1 ILE 5 97.422 62.341 61.936 34 1HG2 ILE 5 1HG2 ILE 5 95.432 62.423 64.716 35 2HG2 ILE 5 2HG2 ILE 5 97.176 62.164 64.714 36 3HG2 ILE 5 3HG2 ILE 5 96.498 63.594 65.493 37 1HD1 ILE 5 1HD1 ILE 5 97.454 64.838 61.239 38 2HD1 ILE 5 2HD1 ILE 5 98.862 64.967 62.294 39 3HD1 ILE 5 3HD1 ILE 5 98.894 63.874 60.910 40 H GLN 6 H GLN 6 95.717 62.141 60.395 41 HA GLN 6 HA GLN 6 95.514 59.464 61.540 42 1HB GLN 6 1HB GLN 6 93.433 58.887 60.302 43 2HB GLN 6 2HB GLN 6 93.151 60.163 61.487 44 1HG GLN 6 1HG GLN 6 93.749 61.739 59.438 45 2HG GLN 6 2HG GLN 6 93.236 60.335 58.499 46 1HE2 GLN 6 2HE2 GLN 6 91.288 61.519 57.785 47 2HE2 GLN 6 1HE2 GLN 6 89.982 61.750 58.846 48 H ILE 7 H ILE 7 97.651 60.255 60.195 49 HA ILE 7 HA ILE 7 97.299 59.169 57.422 50 HB ILE 7 HB ILE 7 98.930 60.821 56.686 51 1HG1 ILE 7 1HG1 ILE 7 99.521 62.598 58.558 52 2HG1 ILE 7 2HG1 ILE 7 99.233 61.236 59.642 53 1HG2 ILE 7 1HG2 ILE 7 96.724 61.939 58.432 54 2HG2 ILE 7 2HG2 ILE 7 97.690 62.935 57.343 55 3HG2 ILE 7 3HG2 ILE 7 96.675 61.647 56.694 56 1HD1 ILE 7 1HD1 ILE 7 100.766 60.168 57.558 57 2HD1 ILE 7 2HD1 ILE 7 101.500 61.737 57.893 58 3HD1 ILE 7 3HD1 ILE 7 101.331 60.549 59.186 59 HA PRO 8 HA PRO 8 100.482 56.327 58.448 60 1HB PRO 8 1HB PRO 8 101.726 55.996 56.040 61 2HB PRO 8 2HB PRO 8 100.124 55.324 56.402 62 1HG PRO 8 1HG PRO 8 100.846 57.771 54.879 63 2HG PRO 8 2HG PRO 8 99.580 56.578 54.561 64 1HD PRO 8 1HD PRO 8 99.100 59.010 55.688 65 2HD PRO 8 2HD PRO 8 98.102 57.572 55.998 66 HA PRO 9 HA PRO 9 103.809 59.316 59.086 67 1HB PRO 9 1HB PRO 9 105.084 57.915 61.061 68 2HB PRO 9 2HB PRO 9 103.643 58.908 61.359 69 1HG PRO 9 1HG PRO 9 103.878 55.960 61.050 70 2HG PRO 9 2HG PRO 9 102.845 56.904 62.136 71 1HD PRO 9 1HD PRO 9 101.960 55.740 59.826 72 2HD PRO 9 2HD PRO 9 101.219 57.181 60.555 73 H GLY 10 H GLY 10 106.057 59.299 58.492 74 1HA GLY 10 1HA GLY 10 108.089 57.848 58.079 75 2HA GLY 10 2HA GLY 10 106.990 56.731 57.268 76 H LEU 11 H LEU 11 105.437 58.890 56.004 77 HA LEU 11 HA LEU 11 107.058 59.219 53.612 78 1HB LEU 11 1HB LEU 11 104.321 59.911 54.601 79 2HB LEU 11 2HB LEU 11 104.918 60.764 53.177 80 HG LEU 11 HG LEU 11 105.625 58.186 52.590 81 1HD1 LEU 11 1HD1 LEU 11 103.311 58.167 54.470 82 2HD1 LEU 11 2HD1 LEU 11 103.205 57.116 53.057 83 3HD1 LEU 11 3HD1 LEU 11 104.544 56.937 54.191 84 1HD2 LEU 11 1HD2 LEU 11 104.448 59.849 51.145 85 2HD2 LEU 11 2HD2 LEU 11 103.736 58.240 51.033 86 3HD2 LEU 11 3HD2 LEU 11 102.947 59.488 51.997 87 H THR 12 H THR 12 106.309 61.202 56.415 88 HA THR 12 HA THR 12 106.886 63.791 55.429 89 HB THR 12 HB THR 12 107.482 62.531 58.124 90 HG1 THR 12 HG1 THR 12 105.393 63.554 58.559 91 1HG2 THR 12 1HG2 THR 12 107.252 65.395 57.192 92 2HG2 THR 12 2HG2 THR 12 107.064 64.937 58.885 93 3HG2 THR 12 3HG2 THR 12 108.591 64.637 58.054 94 H GLU 13 H GLU 13 109.153 61.697 57.243 95 HA GLU 13 HA GLU 13 111.513 63.150 56.846 96 1HB GLU 13 1HB GLU 13 110.678 60.419 57.490 97 2HB GLU 13 2HB GLU 13 112.253 60.470 56.698 98 1HG GLU 13 1HG GLU 13 112.674 60.690 59.047 99 2HG GLU 13 2HG GLU 13 112.892 62.296 58.352 100 H LEU 14 H LEU 14 110.204 60.566 54.738 101 HA LEU 14 HA LEU 14 112.224 60.559 52.763 102 1HB LEU 14 1HB LEU 14 109.584 59.553 53.204 103 2HB LEU 14 2HB LEU 14 109.636 60.228 51.576 104 HG LEU 14 HG LEU 14 111.838 58.934 51.289 105 1HD1 LEU 14 1HD1 LEU 14 111.993 58.519 53.808 106 2HD1 LEU 14 2HD1 LEU 14 110.722 57.316 53.587 107 3HD1 LEU 14 3HD1 LEU 14 112.275 57.118 52.775 108 1HD2 LEU 14 1HD2 LEU 14 109.659 58.284 50.266 109 2HD2 LEU 14 2HD2 LEU 14 110.641 56.881 50.690 110 3HD2 LEU 14 3HD2 LEU 14 109.284 57.350 51.715 111 H LEU 15 H LEU 15 109.102 62.326 52.607 112 HA LEU 15 HA LEU 15 109.725 63.860 50.290 113 1HB LEU 15 1HB LEU 15 107.931 64.432 52.672 114 2HB LEU 15 2HB LEU 15 107.833 65.260 51.117 115 HG LEU 15 HG LEU 15 107.451 62.284 51.571 116 1HD1 LEU 15 1HD1 LEU 15 105.606 63.913 52.290 117 2HD1 LEU 15 2HD1 LEU 15 105.439 64.314 50.582 118 3HD1 LEU 15 3HD1 LEU 15 105.138 62.666 51.134 119 1HD2 LEU 15 1HD2 LEU 15 107.371 63.994 49.066 120 2HD2 LEU 15 2HD2 LEU 15 108.473 62.660 49.404 121 3HD2 LEU 15 3HD2 LEU 15 106.759 62.343 49.143 122 H GLN 16 H GLN 16 110.273 64.530 53.751 123 HA GLN 16 HA GLN 16 111.093 67.228 53.606 124 1HB GLN 16 1HB GLN 16 111.164 65.017 55.416 125 2HB GLN 16 2HB GLN 16 112.766 65.755 55.414 126 1HG GLN 16 1HG GLN 16 111.322 68.000 55.511 127 2HG GLN 16 2HG GLN 16 110.144 66.914 56.252 128 1HE2 GLN 16 2HE2 GLN 16 110.513 68.064 58.339 129 2HE2 GLN 16 1HE2 GLN 16 111.902 67.727 59.255 130 H GLY 17 H GLY 17 113.008 64.257 53.067 131 1HA GLY 17 1HA GLY 17 115.536 65.479 52.681 132 2HA GLY 17 2HA GLY 17 115.041 63.961 51.927 133 H TYR 18 H TYR 18 113.140 64.541 50.184 134 HA TYR 18 HA TYR 18 114.307 65.604 47.894 135 1HB TYR 18 1HB TYR 18 111.960 64.469 48.564 136 2HB TYR 18 2HB TYR 18 111.414 66.138 48.392 137 HD1 TYR 18 HD1 TYR 18 114.006 64.110 46.585 138 HD2 TYR 18 HD2 TYR 18 110.367 66.411 46.314 139 HE1 TYR 18 HE1 TYR 18 114.034 63.861 44.100 140 HE2 TYR 18 HE2 TYR 18 110.389 66.164 43.833 141 HH TYR 18 HH TYR 18 112.730 65.593 42.061 142 H THR 19 H THR 19 112.306 67.364 50.274 143 HA THR 19 HA THR 19 112.355 69.918 49.009 144 HB THR 19 HB THR 19 112.171 69.016 51.902 145 HG1 THR 19 HG1 THR 19 110.461 68.271 50.782 146 1HG2 THR 19 1HG2 THR 19 111.553 71.710 50.661 147 2HG2 THR 19 2HG2 THR 19 111.098 71.231 52.296 148 3HG2 THR 19 3HG2 THR 19 112.801 71.369 51.859 149 H VAL 20 H VAL 20 114.665 68.295 51.143 150 HA VAL 20 HA VAL 20 116.335 70.683 51.486 151 HB VAL 20 HB VAL 20 116.793 67.745 52.098 152 1HG1 VAL 20 1HG1 VAL 20 118.317 70.247 52.603 153 2HG1 VAL 20 2HG1 VAL 20 118.193 69.125 53.958 154 3HG1 VAL 20 3HG1 VAL 20 118.898 68.590 52.431 155 1HG2 VAL 20 1HG2 VAL 20 114.875 69.482 53.151 156 2HG2 VAL 20 2HG2 VAL 20 115.446 67.990 53.898 157 3HG2 VAL 20 3HG2 VAL 20 116.189 69.531 54.326 158 H GLU 21 H GLU 21 116.212 67.908 49.324 159 HA GLU 21 HA GLU 21 118.945 68.279 48.310 160 1HB GLU 21 1HB GLU 21 116.783 66.833 46.801 161 2HB GLU 21 2HB GLU 21 118.478 66.400 46.991 162 1HG GLU 21 1HG GLU 21 117.511 66.283 49.585 163 2HG GLU 21 2HG GLU 21 116.166 65.665 48.625 164 H VAL 22 H VAL 22 115.723 68.568 46.836 165 HA VAL 22 HA VAL 22 116.465 69.903 44.469 166 HB VAL 22 HB VAL 22 113.943 70.306 46.115 167 1HG1 VAL 22 1HG1 VAL 22 114.534 71.616 43.908 168 2HG1 VAL 22 2HG1 VAL 22 114.107 70.092 43.131 169 3HG1 VAL 22 3HG1 VAL 22 112.920 70.939 44.124 170 1HG2 VAL 22 1HG2 VAL 22 115.051 67.879 45.139 171 2HG2 VAL 22 2HG2 VAL 22 113.434 68.130 45.794 172 3HG2 VAL 22 3HG2 VAL 22 113.719 68.291 44.061 173 H LEU 23 H LEU 23 115.928 71.187 47.730 174 HA LEU 23 HA LEU 23 116.079 73.987 46.864 175 1HB LEU 23 1HB LEU 23 114.772 73.102 48.823 176 2HB LEU 23 2HB LEU 23 116.302 72.729 49.618 177 HG LEU 23 HG LEU 23 116.908 75.201 49.225 178 1HD1 LEU 23 1HD1 LEU 23 114.548 75.164 47.782 179 2HD1 LEU 23 2HD1 LEU 23 114.062 75.912 49.304 180 3HD1 LEU 23 3HD1 LEU 23 115.369 76.617 48.353 181 1HD2 LEU 23 1HD2 LEU 23 114.698 74.333 51.107 182 2HD2 LEU 23 2HD2 LEU 23 116.425 74.422 51.451 183 3HD2 LEU 23 3HD2 LEU 23 115.495 75.902 51.218 184 H ARG 24 H ARG 24 118.327 71.495 47.774 185 HA ARG 24 HA ARG 24 120.475 73.351 48.545 186 1HB ARG 24 1HB ARG 24 119.932 70.436 48.425 187 2HB ARG 24 2HB ARG 24 121.621 70.901 48.221 188 1HG ARG 24 1HG ARG 24 120.160 72.279 50.405 189 2HG ARG 24 2HG ARG 24 120.464 70.558 50.649 190 1HD ARG 24 1HD ARG 24 122.801 70.829 50.579 191 2HD ARG 24 2HD ARG 24 122.687 72.379 49.723 192 HE ARG 24 HE ARG 24 121.437 72.302 52.395 193 1HH1 ARG 24 1HH2 ARG 24 124.591 71.988 52.005 194 2HH1 ARG 24 2HH2 ARG 24 125.065 73.602 52.418 195 1HH2 ARG 24 1HH1 ARG 24 121.843 74.874 52.249 196 2HH2 ARG 24 2HH1 ARG 24 123.509 75.235 52.558 197 H GLN 25 H GLN 25 119.897 71.063 45.839 198 HA GLN 25 HA GLN 25 122.104 72.362 44.327 199 1HB GLN 25 1HB GLN 25 121.909 70.351 42.917 200 2HB GLN 25 2HB GLN 25 122.038 69.901 44.617 201 1HG GLN 25 1HG GLN 25 119.293 70.249 44.190 202 2HG GLN 25 2HG GLN 25 119.865 69.409 42.749 203 1HE2 GLN 25 2HE2 GLN 25 120.525 69.233 46.304 204 2HE2 GLN 25 1HE2 GLN 25 120.466 67.539 46.373 205 H GLN 26 H GLN 26 118.618 72.063 44.373 206 HA GLN 26 HA GLN 26 116.959 72.931 42.922 207 1HB GLN 26 1HB GLN 26 119.207 74.799 43.226 208 2HB GLN 26 2HB GLN 26 118.227 75.112 41.792 209 1HG GLN 26 1HG GLN 26 116.186 74.931 43.323 210 2HG GLN 26 2HG GLN 26 117.318 75.001 44.675 211 1HE2 GLN 26 2HE2 GLN 26 115.770 77.114 44.841 212 2HE2 GLN 26 1HE2 GLN 26 116.439 78.516 44.156 213 HA PRO 27 HA PRO 27 119.092 71.063 39.218 214 1HB PRO 27 1HB PRO 27 117.323 69.003 38.866 215 2HB PRO 27 2HB PRO 27 118.755 68.881 39.909 216 1HG PRO 27 1HG PRO 27 115.912 69.374 40.648 217 2HG PRO 27 2HG PRO 27 117.132 68.377 41.458 218 1HD PRO 27 1HD PRO 27 116.430 70.859 42.319 219 2HD PRO 27 2HD PRO 27 118.046 70.163 42.565 220 HA PRO 28 HA PRO 28 116.229 73.102 36.556 221 1HB PRO 28 1HB PRO 28 116.828 71.924 34.156 222 2HB PRO 28 2HB PRO 28 117.881 73.124 34.936 223 1HG PRO 28 1HG PRO 28 118.103 70.151 34.899 224 2HG PRO 28 2HG PRO 28 119.371 71.379 34.753 225 1HD PRO 28 1HD PRO 28 118.891 70.032 37.056 226 2HD PRO 28 2HD PRO 28 119.509 71.699 37.024 227 H ASP 29 H ASP 29 116.451 69.559 36.137 228 HA ASP 29 HA ASP 29 113.517 69.511 35.534 229 1HB ASP 29 1HB ASP 29 114.092 67.272 34.564 230 2HB ASP 29 2HB ASP 29 114.978 68.594 33.804 231 H LEU 30 H LEU 30 112.354 69.028 37.354 232 HA LEU 30 HA LEU 30 113.560 67.540 39.593 233 1HB LEU 30 1HB LEU 30 112.086 69.511 39.891 234 2HB LEU 30 2HB LEU 30 110.775 68.646 39.089 235 HG LEU 30 HG LEU 30 111.627 66.873 41.061 236 1HD1 LEU 30 1HD1 LEU 30 112.923 68.880 41.972 237 2HD1 LEU 30 2HD1 LEU 30 111.357 69.617 42.308 238 3HD1 LEU 30 3HD1 LEU 30 111.809 68.108 43.101 239 1HD2 LEU 30 1HD2 LEU 30 109.295 67.476 40.286 240 2HD2 LEU 30 2HD2 LEU 30 109.455 67.306 42.035 241 3HD2 LEU 30 3HD2 LEU 30 109.395 68.912 41.307 242 H VAL 31 H VAL 31 111.179 67.006 37.030 243 HA VAL 31 HA VAL 31 109.939 64.629 37.888 244 HB VAL 31 HB VAL 31 110.919 65.365 35.108 245 1HG1 VAL 31 1HG1 VAL 31 108.740 63.543 36.152 246 2HG1 VAL 31 2HG1 VAL 31 108.755 64.142 34.493 247 3HG1 VAL 31 3HG1 VAL 31 110.077 63.132 35.078 248 1HG2 VAL 31 1HG2 VAL 31 109.014 66.629 36.897 249 2HG2 VAL 31 2HG2 VAL 31 109.561 67.161 35.306 250 3HG2 VAL 31 3HG2 VAL 31 108.203 66.043 35.444 251 H ASP 32 H ASP 32 112.692 64.744 35.612 252 HA ASP 32 HA ASP 32 113.404 62.011 35.785 253 1HB ASP 32 1HB ASP 32 114.173 64.247 34.414 254 2HB ASP 32 2HB ASP 32 115.570 64.004 35.464 255 H PHE 33 H PHE 33 114.653 64.812 37.642 256 HA PHE 33 HA PHE 33 116.593 63.491 39.206 257 1HB PHE 33 1HB PHE 33 116.218 65.923 39.139 258 2HB PHE 33 2HB PHE 33 114.656 65.716 39.934 259 HD1 PHE 33 HD1 PHE 33 118.205 64.547 40.451 260 HD2 PHE 33 HD2 PHE 33 114.618 66.171 42.227 261 HE1 PHE 33 HE1 PHE 33 119.326 64.590 42.677 262 HE2 PHE 33 HE2 PHE 33 115.740 66.210 44.451 263 HZ PHE 33 HZ PHE 33 118.093 65.420 44.678 264 H ALA 34 H ALA 34 113.104 63.926 39.883 265 HA ALA 34 HA ALA 34 112.928 62.649 42.380 266 1HB ALA 34 1HB ALA 34 111.236 63.527 40.246 267 2HB ALA 34 2HB ALA 34 110.702 61.917 40.730 268 3HB ALA 34 3HB ALA 34 110.788 63.212 41.924 269 H VAL 35 H VAL 35 112.730 61.160 39.127 270 HA VAL 35 HA VAL 35 112.380 58.465 39.993 271 HB VAL 35 HB VAL 35 113.694 59.675 37.537 272 1HG1 VAL 35 1HG1 VAL 35 112.876 56.902 38.294 273 2HG1 VAL 35 2HG1 VAL 35 112.678 57.409 36.619 274 3HG1 VAL 35 3HG1 VAL 35 114.274 57.442 37.367 275 1HG2 VAL 35 1HG2 VAL 35 110.841 58.967 38.253 276 2HG2 VAL 35 2HG2 VAL 35 111.469 60.519 37.697 277 3HG2 VAL 35 3HG2 VAL 35 111.368 59.157 36.581 278 H GLU 36 H GLU 36 115.333 60.251 39.042 279 HA GLU 36 HA GLU 36 117.264 58.250 39.381 280 1HB GLU 36 1HB GLU 36 117.128 61.226 39.691 281 2HB GLU 36 2HB GLU 36 118.608 60.407 40.187 282 1HG GLU 36 1HG GLU 36 118.689 61.152 37.813 283 2HG GLU 36 2HG GLU 36 118.838 59.402 37.971 284 H TYR 37 H TYR 37 116.278 60.626 41.889 285 HA TYR 37 HA TYR 37 117.746 59.586 44.049 286 1HB TYR 37 1HB TYR 37 116.518 61.708 44.055 287 2HB TYR 37 2HB TYR 37 114.983 60.843 43.956 288 HD1 TYR 37 HD1 TYR 37 118.117 60.841 46.057 289 HD2 TYR 37 HD2 TYR 37 113.814 60.486 45.950 290 HE1 TYR 37 HE1 TYR 37 118.071 60.631 48.541 291 HE2 TYR 37 HE2 TYR 37 113.770 60.276 48.433 292 HH TYR 37 HH TYR 37 116.675 60.757 50.377 293 H PHE 38 H PHE 38 114.250 58.962 43.532 294 HA PHE 38 HA PHE 38 114.033 56.836 45.394 295 1HB PHE 38 1HB PHE 38 112.543 57.587 42.869 296 2HB PHE 38 2HB PHE 38 111.995 56.300 43.943 297 HD1 PHE 38 HD1 PHE 38 112.536 57.256 46.618 298 HD2 PHE 38 HD2 PHE 38 111.167 59.467 43.171 299 HE1 PHE 38 HE1 PHE 38 111.492 58.952 48.120 300 HE2 PHE 38 HE2 PHE 38 110.123 61.162 44.674 301 HZ PHE 38 HZ PHE 38 110.287 60.904 47.148 302 H THR 39 H THR 39 114.394 56.604 41.821 303 HA THR 39 HA THR 39 114.561 53.813 41.572 304 HB THR 39 HB THR 39 116.090 56.002 40.128 305 HG1 THR 39 HG1 THR 39 114.294 55.618 38.632 306 1HG2 THR 39 1HG2 THR 39 116.482 53.272 39.927 307 2HG2 THR 39 2HG2 THR 39 115.327 53.600 38.635 308 3HG2 THR 39 3HG2 THR 39 116.870 54.453 38.677 309 H ARG 40 H ARG 40 117.047 56.102 42.635 310 HA ARG 40 HA ARG 40 119.190 54.116 42.661 311 1HB ARG 40 1HB ARG 40 119.505 56.558 42.315 312 2HB ARG 40 2HB ARG 40 118.917 56.851 43.952 313 1HG ARG 40 1HG ARG 40 120.860 56.142 44.919 314 2HG ARG 40 2HG ARG 40 121.107 54.868 43.724 315 1HD ARG 40 1HD ARG 40 121.355 57.300 42.301 316 2HD ARG 40 2HD ARG 40 122.288 57.504 43.797 317 HE ARG 40 HE ARG 40 123.686 55.677 43.143 318 1HH1 ARG 40 1HH2 ARG 40 123.405 56.826 40.400 319 2HH1 ARG 40 2HH2 ARG 40 122.916 55.448 39.472 320 1HH2 ARG 40 1HH1 ARG 40 121.998 53.574 42.242 321 2HH2 ARG 40 2HH1 ARG 40 122.119 53.606 40.515 322 H LEU 41 H LEU 41 116.814 55.365 44.945 323 HA LEU 41 HA LEU 41 117.955 54.526 47.402 324 1HB LEU 41 1HB LEU 41 115.547 55.589 46.404 325 2HB LEU 41 2HB LEU 41 115.083 54.107 47.241 326 HG LEU 41 HG LEU 41 116.438 54.875 49.213 327 1HD1 LEU 41 1HD1 LEU 41 117.652 56.565 47.517 328 2HD1 LEU 41 2HD1 LEU 41 116.398 57.648 48.119 329 3HD1 LEU 41 3HD1 LEU 41 117.531 56.901 49.244 330 1HD2 LEU 41 1HD2 LEU 41 113.883 55.426 48.612 331 2HD2 LEU 41 2HD2 LEU 41 114.647 56.049 50.075 332 3HD2 LEU 41 3HD2 LEU 41 114.501 57.078 48.650 333 H ARG 42 H ARG 42 116.161 52.699 44.946 334 HA ARG 42 HA ARG 42 115.686 50.309 46.415 335 1HB ARG 42 1HB ARG 42 116.326 50.716 43.473 336 2HB ARG 42 2HB ARG 42 115.479 49.329 44.160 337 1HG ARG 42 1HG ARG 42 114.210 51.741 45.070 338 2HG ARG 42 2HG ARG 42 114.357 51.796 43.314 339 1HD ARG 42 1HD ARG 42 113.251 49.402 44.821 340 2HD ARG 42 2HD ARG 42 112.240 50.667 44.094 341 HE ARG 42 HE ARG 42 113.147 50.043 41.895 342 1HH1 ARG 42 1HH2 ARG 42 112.159 47.488 43.396 343 2HH1 ARG 42 2HH2 ARG 42 113.402 46.375 42.931 344 1HH2 ARG 42 1HH1 ARG 42 115.553 48.843 41.788 345 2HH2 ARG 42 2HH1 ARG 42 115.324 47.142 42.022 346 H GLU 43 H GLU 43 118.579 51.504 44.775 347 HA GLU 43 HA GLU 43 120.005 48.947 45.331 348 1HB GLU 43 1HB GLU 43 120.298 51.306 43.524 349 2HB GLU 43 2HB GLU 43 121.774 50.459 43.993 350 1HG GLU 43 1HG GLU 43 120.562 48.300 43.322 351 2HG GLU 43 2HG GLU 43 119.362 49.341 42.555 352 H ALA 44 H ALA 44 119.949 52.361 46.228 353 HA ALA 44 HA ALA 44 122.449 52.536 47.588 354 1HB ALA 44 1HB ALA 44 120.006 54.022 47.244 355 2HB ALA 44 2HB ALA 44 120.470 54.065 48.947 356 3HB ALA 44 3HB ALA 44 121.597 54.627 47.707 357 H ARG 45 H ARG 45 119.375 52.559 49.338 358 HA ARG 45 HA ARG 45 118.809 51.684 51.426 359 1HB ARG 45 1HB ARG 45 119.938 49.591 49.683 360 2HB ARG 45 2HB ARG 45 119.859 49.152 51.390 361 1HG ARG 45 1HG ARG 45 117.500 50.371 49.950 362 2HG ARG 45 2HG ARG 45 117.781 48.629 49.970 363 1HD ARG 45 1HD ARG 45 117.963 49.956 52.618 364 2HD ARG 45 2HD ARG 45 116.343 49.914 51.891 365 HE ARG 45 HE ARG 45 118.031 47.449 52.135 366 1HH1 ARG 45 1HH1 ARG 45 115.537 48.982 53.691 367 2HH1 ARG 45 2HH1 ARG 45 114.386 47.697 53.531 368 1HH2 ARG 45 1HH2 ARG 45 116.348 45.859 51.339 369 2HH2 ARG 45 2HH2 ARG 45 114.846 45.927 52.199 370 H ARG 46 H ARG 46 121.722 49.699 51.394 371 HA ARG 46 HA ARG 46 123.556 49.667 52.879 372 1HB ARG 46 1HB ARG 46 123.174 52.292 51.763 373 2HB ARG 46 2HB ARG 46 123.775 52.456 53.413 374 1HG ARG 46 1HG ARG 46 125.833 51.813 52.776 375 2HG ARG 46 2HG ARG 46 125.191 50.327 52.076 376 1HD ARG 46 1HD ARG 46 125.212 51.177 49.953 377 2HD ARG 46 2HD ARG 46 124.673 52.780 50.491 378 HE ARG 46 HE ARG 46 127.478 51.818 50.927 379 1HH1 ARG 46 1HH2 ARG 46 127.084 53.368 48.438 380 2HH1 ARG 46 2HH2 ARG 46 127.377 54.997 48.949 381 1HH2 ARG 46 1HH1 ARG 46 127.015 54.283 52.323 382 2HH2 ARG 46 2HH1 ARG 46 127.339 55.514 51.149 383 1H HIS 1 1H HIS 1 113.963 92.168 60.462 384 2H HIS 1 2H HIS 1 114.645 91.644 61.927 385 3H HIS 1 3H HIS 1 115.648 92.138 60.648 386 HA HIS 1 HA HIS 1 115.754 89.810 60.563 387 1HB HIS 1 1HB HIS 1 113.154 90.230 61.766 388 2HB HIS 1 2HB HIS 1 113.039 89.023 60.485 389 HD1 HIS 1 HD1 HIS 1 113.017 86.877 61.819 390 HD2 HIS 1 HD2 HIS 1 116.131 89.407 62.952 391 HE1 HIS 1 HE1 HIS 1 114.463 85.559 63.428 392 H MET 2 H MET 2 112.605 90.850 59.198 393 HA MET 2 HA MET 2 111.842 90.824 56.959 394 1HB MET 2 1HB MET 2 113.685 92.579 57.044 395 2HB MET 2 2HB MET 2 114.772 91.352 56.393 396 1HG MET 2 1HG MET 2 113.376 91.105 54.410 397 2HG MET 2 2HG MET 2 112.186 92.228 55.071 398 1HE MET 2 1HE MET 2 112.931 92.755 52.372 399 2HE MET 2 2HE MET 2 112.124 94.040 53.267 400 3HE MET 2 3HE MET 2 113.529 94.417 52.274 401 H GLY 3 H GLY 3 111.610 88.386 57.280 402 1HA GLY 3 1HA GLY 3 112.623 86.960 55.041 403 2HA GLY 3 2HA GLY 3 113.611 86.537 56.440 404 H HIS 4 H HIS 4 110.671 85.924 54.819 405 HA HIS 4 HA HIS 4 109.748 84.250 57.132 406 1HB HIS 4 1HB HIS 4 108.379 86.231 55.369 407 2HB HIS 4 2HB HIS 4 107.452 84.812 55.856 408 HD1 HIS 4 HD1 HIS 4 106.243 85.114 58.006 409 HD2 HIS 4 HD2 HIS 4 109.701 87.439 57.869 410 HE1 HIS 4 HE1 HIS 4 106.320 86.412 60.180 411 H ILE 5 H ILE 5 108.750 84.634 53.723 412 HA ILE 5 HA ILE 5 109.078 81.671 53.399 413 HB ILE 5 HB ILE 5 106.784 82.579 53.256 414 1HG1 ILE 5 1HG1 ILE 5 106.481 81.945 50.683 415 2HG1 ILE 5 2HG1 ILE 5 108.156 81.420 50.861 416 1HG2 ILE 5 1HG2 ILE 5 108.121 84.684 51.881 417 2HG2 ILE 5 2HG2 ILE 5 106.984 83.956 50.746 418 3HG2 ILE 5 3HG2 ILE 5 106.410 84.577 52.294 419 1HD1 ILE 5 1HD1 ILE 5 107.332 80.194 52.990 420 2HD1 ILE 5 2HD1 ILE 5 105.715 80.430 52.328 421 3HD1 ILE 5 3HD1 ILE 5 106.909 79.497 51.426 422 H GLN 6 H GLN 6 110.270 80.919 51.630 423 HA GLN 6 HA GLN 6 111.068 82.652 49.421 424 1HB GLN 6 1HB GLN 6 113.474 82.672 50.058 425 2HB GLN 6 2HB GLN 6 112.478 83.502 51.255 426 1HG GLN 6 1HG GLN 6 112.369 81.086 52.348 427 2HG GLN 6 2HG GLN 6 113.871 80.858 51.452 428 1HE2 GLN 6 2HE2 GLN 6 115.097 80.837 53.503 429 2HE2 GLN 6 1HE2 GLN 6 115.387 82.280 54.350 430 H ILE 7 H ILE 7 109.851 80.337 49.018 431 HA ILE 7 HA ILE 7 112.034 78.387 48.366 432 HB ILE 7 HB ILE 7 110.471 76.612 48.945 433 1HG1 ILE 7 1HG1 ILE 7 108.258 77.512 50.086 434 2HG1 ILE 7 2HG1 ILE 7 108.539 78.907 49.041 435 1HG2 ILE 7 1HG2 ILE 7 110.647 78.833 50.995 436 2HG2 ILE 7 2HG2 ILE 7 110.049 77.218 51.372 437 3HG2 ILE 7 3HG2 ILE 7 111.711 77.438 50.829 438 1HD1 ILE 7 1HD1 ILE 7 109.001 76.686 47.401 439 2HD1 ILE 7 2HD1 ILE 7 107.569 76.258 48.340 440 3HD1 ILE 7 3HD1 ILE 7 107.582 77.734 47.373 441 HA PRO 8 HA PRO 8 110.526 78.526 44.247 442 1HB PRO 8 1HB PRO 8 111.018 75.979 43.392 443 2HB PRO 8 2HB PRO 8 112.300 77.181 43.644 444 1HG PRO 8 1HG PRO 8 111.430 74.945 45.399 445 2HG PRO 8 2HG PRO 8 113.061 75.543 45.057 446 1HD PRO 8 1HD PRO 8 111.697 76.124 47.343 447 2HD PRO 8 2HD PRO 8 112.926 77.196 46.634 448 HA PRO 9 HA PRO 9 106.410 76.832 45.027 449 1HB PRO 9 1HB PRO 9 105.125 78.294 43.104 450 2HB PRO 9 2HB PRO 9 105.553 78.955 44.695 451 1HG PRO 9 1HG PRO 9 106.907 79.310 42.071 452 2HG PRO 9 2HG PRO 9 106.657 80.474 43.380 453 1HD PRO 9 1HD PRO 9 109.022 79.183 42.928 454 2HD PRO 9 2HD PRO 9 108.515 79.788 44.519 455 H GLY 10 H GLY 10 105.104 75.309 43.855 456 1HA GLY 10 1HA GLY 10 104.518 74.395 41.569 457 2HA GLY 10 2HA GLY 10 106.246 74.471 41.217 458 H LEU 11 H LEU 11 107.018 73.559 43.909 459 HA LEU 11 HA LEU 11 106.927 70.695 43.419 460 1HB LEU 11 1HB LEU 11 108.071 72.610 45.410 461 2HB LEU 11 2HB LEU 11 107.977 70.909 45.869 462 HG LEU 11 HG LEU 11 108.962 70.719 43.324 463 1HD1 LEU 11 1HD1 LEU 11 109.674 73.384 44.456 464 2HD1 LEU 11 2HD1 LEU 11 110.962 72.480 43.661 465 3HD1 LEU 11 3HD1 LEU 11 109.495 72.890 42.773 466 1HD2 LEU 11 1HD2 LEU 11 109.787 69.603 45.397 467 2HD2 LEU 11 2HD2 LEU 11 111.105 70.232 44.408 468 3HD2 LEU 11 3HD2 LEU 11 110.595 71.101 45.855 469 H THR 12 H THR 12 105.107 72.947 45.408 470 HA THR 12 HA THR 12 103.996 71.203 47.340 471 HB THR 12 HB THR 12 102.765 73.555 45.870 472 HG1 THR 12 HG1 THR 12 103.575 74.618 47.825 473 1HG2 THR 12 1HG2 THR 12 102.082 72.154 48.457 474 2HG2 THR 12 2HG2 THR 12 101.559 73.803 48.113 475 3HG2 THR 12 3HG2 THR 12 101.025 72.474 47.082 476 H GLU 13 H GLU 13 102.394 72.249 44.315 477 HA GLU 13 HA GLU 13 100.224 70.484 44.325 478 1HB GLU 13 1HB GLU 13 101.765 72.084 42.418 479 2HB GLU 13 2HB GLU 13 101.010 70.680 41.662 480 1HG GLU 13 1HG GLU 13 99.398 72.451 41.551 481 2HG GLU 13 2HG GLU 13 98.852 71.361 42.825 482 H LEU 14 H LEU 14 103.451 69.904 42.881 483 HA LEU 14 HA LEU 14 103.012 67.297 41.881 484 1HB LEU 14 1HB LEU 14 105.157 69.117 42.394 485 2HB LEU 14 2HB LEU 14 105.643 67.531 42.992 486 HG LEU 14 HG LEU 14 104.801 66.608 40.746 487 1HD1 LEU 14 1HD1 LEU 14 103.587 68.800 40.232 488 2HD1 LEU 14 2HD1 LEU 14 105.174 69.483 39.881 489 3HD1 LEU 14 3HD1 LEU 14 104.562 68.133 38.924 490 1HD2 LEU 14 1HD2 LEU 14 107.201 66.879 41.366 491 2HD2 LEU 14 2HD2 LEU 14 106.923 67.141 39.645 492 3HD2 LEU 14 3HD2 LEU 14 107.160 68.519 40.720 493 H LEU 15 H LEU 15 104.528 68.143 45.025 494 HA LEU 15 HA LEU 15 104.558 65.497 46.078 495 1HB LEU 15 1HB LEU 15 104.365 68.210 47.428 496 2HB LEU 15 2HB LEU 15 104.850 66.717 48.233 497 HG LEU 15 HG LEU 15 106.271 68.011 45.885 498 1HD1 LEU 15 1HD1 LEU 15 106.477 69.062 48.215 499 2HD1 LEU 15 2HD1 LEU 15 107.294 67.575 48.697 500 3HD1 LEU 15 3HD1 LEU 15 107.987 68.592 47.433 501 1HD2 LEU 15 1HD2 LEU 15 106.820 65.478 47.464 502 2HD2 LEU 15 2HD2 LEU 15 106.475 65.600 45.739 503 3HD2 LEU 15 3HD2 LEU 15 107.992 66.229 46.381 504 H GLN 16 H GLN 16 102.071 68.051 46.246 505 HA GLN 16 HA GLN 16 100.305 66.894 48.121 506 1HB GLN 16 1HB GLN 16 100.345 68.957 46.144 507 2HB GLN 16 2HB GLN 16 98.848 68.049 45.934 508 1HG GLN 16 1HG GLN 16 98.800 68.233 48.598 509 2HG GLN 16 2HG GLN 16 99.772 69.666 48.267 510 1HE2 GLN 16 2HE2 GLN 16 97.900 71.008 48.987 511 2HE2 GLN 16 1HE2 GLN 16 96.582 71.248 47.944 512 H GLY 17 H GLY 17 100.574 66.294 44.607 513 1HA GLY 17 1HA GLY 17 98.381 64.520 44.337 514 2HA GLY 17 2HA GLY 17 99.827 64.471 43.326 515 H TYR 18 H TYR 18 101.829 63.695 44.873 516 HA TYR 18 HA TYR 18 101.672 60.942 45.235 517 1HB TYR 18 1HB TYR 18 103.548 62.856 45.483 518 2HB TYR 18 2HB TYR 18 103.254 62.544 47.194 519 HD1 TYR 18 HD1 TYR 18 103.254 60.321 44.169 520 HD2 TYR 18 HD2 TYR 18 104.954 61.171 48.041 521 HE1 TYR 18 HE1 TYR 18 104.628 58.241 44.021 522 HE2 TYR 18 HE2 TYR 18 106.329 59.097 47.899 523 HH TYR 18 HH TYR 18 105.820 56.660 46.252 524 H THR 19 H THR 19 101.074 63.452 47.704 525 HA THR 19 HA THR 19 100.508 61.715 49.894 526 HB THR 19 HB THR 19 99.579 64.504 49.132 527 HG1 THR 19 HG1 THR 19 101.732 64.499 49.432 528 1HG2 THR 19 1HG2 THR 19 99.411 63.057 51.789 529 2HG2 THR 19 2HG2 THR 19 99.123 64.783 51.564 530 3HG2 THR 19 3HG2 THR 19 98.053 63.605 50.806 531 H VAL 20 H VAL 20 98.497 62.899 47.234 532 HA VAL 20 HA VAL 20 96.007 61.855 48.384 533 HB VAL 20 HB VAL 20 96.724 62.894 45.623 534 1HG1 VAL 20 1HG1 VAL 20 94.204 62.022 46.936 535 2HG1 VAL 20 2HG1 VAL 20 94.118 63.517 46.003 536 3HG1 VAL 20 3HG1 VAL 20 94.642 62.021 45.228 537 1HG2 VAL 20 1HG2 VAL 20 96.760 64.237 48.072 538 2HG2 VAL 20 2HG2 VAL 20 96.656 64.986 46.479 539 3HG2 VAL 20 3HG2 VAL 20 95.185 64.637 47.389 540 H GLU 21 H GLU 21 98.492 60.736 46.155 541 HA GLU 21 HA GLU 21 96.870 58.538 45.071 542 1HB GLU 21 1HB GLU 21 99.876 58.578 45.024 543 2HB GLU 21 2HB GLU 21 98.758 58.082 43.760 544 1HG GLU 21 1HG GLU 21 98.178 60.773 44.086 545 2HG GLU 21 2HG GLU 21 99.929 60.707 44.292 546 H VAL 22 H VAL 22 99.820 58.663 47.054 547 HA VAL 22 HA VAL 22 99.883 55.969 47.877 548 HB VAL 22 HB VAL 22 100.670 58.420 49.491 549 1HG1 VAL 22 1HG1 VAL 22 100.770 55.936 50.360 550 2HG1 VAL 22 2HG1 VAL 22 102.188 55.843 49.315 551 3HG1 VAL 22 3HG1 VAL 22 102.136 57.019 50.628 552 1HG2 VAL 22 1HG2 VAL 22 101.497 57.686 46.873 553 2HG2 VAL 22 2HG2 VAL 22 102.213 58.913 47.917 554 3HG2 VAL 22 3HG2 VAL 22 102.822 57.258 47.955 555 H LEU 23 H LEU 23 97.997 58.690 49.144 556 HA LEU 23 HA LEU 23 97.036 57.191 51.477 557 1HB LEU 23 1HB LEU 23 97.386 59.678 51.346 558 2HB LEU 23 2HB LEU 23 96.046 59.761 50.201 559 HG LEU 23 HG LEU 23 94.663 58.540 52.000 560 1HD1 LEU 23 1HD1 LEU 23 97.125 58.380 53.251 561 2HD1 LEU 23 2HD1 LEU 23 96.347 59.721 54.093 562 3HD1 LEU 23 3HD1 LEU 23 95.565 58.141 54.039 563 1HD2 LEU 23 1HD2 LEU 23 95.694 61.367 52.359 564 2HD2 LEU 23 2HD2 LEU 23 94.229 60.859 51.521 565 3HD2 LEU 23 3HD2 LEU 23 94.336 60.715 53.274 566 H ARG 24 H ARG 24 96.103 57.568 48.148 567 HA ARG 24 HA ARG 24 93.295 56.801 48.579 568 1HB ARG 24 1HB ARG 24 95.100 57.658 46.385 569 2HB ARG 24 2HB ARG 24 93.768 56.606 45.904 570 1HG ARG 24 1HG ARG 24 93.065 58.802 47.770 571 2HG ARG 24 2HG ARG 24 93.518 59.295 46.138 572 1HD ARG 24 1HD ARG 24 91.739 58.115 45.148 573 2HD ARG 24 2HD ARG 24 91.544 57.049 46.554 574 HE ARG 24 HE ARG 24 91.110 59.923 47.061 575 1HH1 ARG 24 1HH2 ARG 24 89.180 58.240 45.152 576 2HH1 ARG 24 2HH2 ARG 24 87.876 57.986 46.263 577 1HH2 ARG 24 1HH1 ARG 24 89.698 58.983 49.041 578 2HH2 ARG 24 2HH1 ARG 24 88.171 58.404 48.465 579 H GLN 25 H GLN 25 96.163 55.308 47.021 580 HA GLN 25 HA GLN 25 94.746 52.692 47.022 581 1HB GLN 25 1HB GLN 25 96.543 52.066 45.455 582 2HB GLN 25 2HB GLN 25 95.782 53.575 44.949 583 1HG GLN 25 1HG GLN 25 97.823 54.371 46.695 584 2HG GLN 25 2HG GLN 25 98.540 53.082 45.728 585 1HE2 GLN 25 2HE2 GLN 25 96.318 55.875 45.119 586 2HE2 GLN 25 1HE2 GLN 25 97.108 56.374 43.701 587 H GLN 26 H GLN 26 97.378 54.381 48.590 588 HA GLN 26 HA GLN 26 98.920 53.672 50.245 589 1HB GLN 26 1HB GLN 26 96.274 52.456 50.649 590 2HB GLN 26 2HB GLN 26 97.573 51.596 51.475 591 1HG GLN 26 1HG GLN 26 98.343 53.878 52.337 592 2HG GLN 26 2HG GLN 26 96.797 54.504 51.762 593 1HE2 GLN 26 2HE2 GLN 26 96.850 54.829 54.366 594 2HE2 GLN 26 1HE2 GLN 26 96.070 53.594 55.231 595 HA PRO 27 HA PRO 27 100.148 49.994 47.651 596 1HB PRO 27 1HB PRO 27 102.560 51.003 46.835 597 2HB PRO 27 2HB PRO 27 101.046 51.279 45.949 598 1HG PRO 27 1HG PRO 27 102.489 53.077 47.834 599 2HG PRO 27 2HG PRO 27 101.651 53.464 46.323 600 1HD PRO 27 1HD PRO 27 100.568 53.906 48.776 601 2HD PRO 27 2HD PRO 27 99.595 53.557 47.331 602 HA PRO 28 HA PRO 28 102.635 48.508 50.975 603 1HB PRO 28 1HB PRO 28 103.984 46.469 49.740 604 2HB PRO 28 2HB PRO 28 102.268 46.366 50.180 605 1HG PRO 28 1HG PRO 28 103.508 46.969 47.537 606 2HG PRO 28 2HG PRO 28 102.101 45.963 47.920 607 1HD PRO 28 1HD PRO 28 101.880 48.484 46.950 608 2HD PRO 28 2HD PRO 28 100.681 47.765 48.047 609 H ASP 29 H ASP 29 104.332 48.924 47.859 610 HA ASP 29 HA ASP 29 106.784 49.742 49.374 611 1HB ASP 29 1HB ASP 29 107.905 49.200 47.197 612 2HB ASP 29 2HB ASP 29 107.042 47.824 47.884 613 H LEU 30 H LEU 30 106.909 51.947 49.515 614 HA LEU 30 HA LEU 30 105.582 53.688 47.543 615 1HB LEU 30 1HB LEU 30 105.580 54.125 49.984 616 2HB LEU 30 2HB LEU 30 107.339 54.245 49.959 617 HG LEU 30 HG LEU 30 106.530 55.984 47.940 618 1HD1 LEU 30 1HD1 LEU 30 104.197 55.684 48.941 619 2HD1 LEU 30 2HD1 LEU 30 104.813 56.499 50.378 620 3HD1 LEU 30 3HD1 LEU 30 104.777 57.345 48.831 621 1HD2 LEU 30 1HD2 LEU 30 108.332 56.228 49.700 622 2HD2 LEU 30 2HD2 LEU 30 107.396 57.695 49.413 623 3HD2 LEU 30 3HD2 LEU 30 107.070 56.706 50.836 624 H VAL 31 H VAL 31 108.866 52.697 48.419 625 HA VAL 31 HA VAL 31 110.421 54.580 47.016 626 HB VAL 31 HB VAL 31 110.802 51.571 47.218 627 1HG1 VAL 31 1HG1 VAL 31 112.678 53.902 46.764 628 2HG1 VAL 31 2HG1 VAL 31 113.248 52.332 47.328 629 3HG1 VAL 31 3HG1 VAL 31 112.460 52.471 45.757 630 1HG2 VAL 31 1HG2 VAL 31 110.677 53.656 49.235 631 2HG2 VAL 31 2HG2 VAL 31 110.849 51.913 49.450 632 3HG2 VAL 31 3HG2 VAL 31 112.278 52.918 49.204 633 H ASP 32 H ASP 32 109.549 51.356 45.745 634 HA ASP 32 HA ASP 32 110.214 51.854 43.041 635 1HB ASP 32 1HB ASP 32 109.333 49.780 44.585 636 2HB ASP 32 2HB ASP 32 107.895 50.104 43.615 637 H PHE 33 H PHE 33 107.060 52.193 44.710 638 HA PHE 33 HA PHE 33 105.470 52.981 42.517 639 1HB PHE 33 1HB PHE 33 104.645 52.495 44.785 640 2HB PHE 33 2HB PHE 33 105.462 53.932 45.404 641 HD1 PHE 33 HD1 PHE 33 103.176 53.059 42.532 642 HD2 PHE 33 HD2 PHE 33 104.098 55.806 45.737 643 HE1 PHE 33 HE1 PHE 33 101.202 54.448 41.910 644 HE2 PHE 33 HE2 PHE 33 102.126 57.194 45.110 645 HZ PHE 33 HZ PHE 33 100.677 56.515 43.199 646 H ALA 34 H ALA 34 107.436 55.031 44.698 647 HA ALA 34 HA ALA 34 106.874 57.567 43.625 648 1HB ALA 34 1HB ALA 34 108.786 56.286 45.325 649 2HB ALA 34 2HB ALA 34 109.670 57.337 44.219 650 3HB ALA 34 3HB ALA 34 108.394 58.003 45.239 651 H VAL 35 H VAL 35 109.377 55.235 42.564 652 HA VAL 35 HA VAL 35 110.433 56.801 40.426 653 HB VAL 35 HB VAL 35 110.193 53.803 40.848 654 1HG1 VAL 35 1HG1 VAL 35 111.673 55.503 38.883 655 2HG1 VAL 35 2HG1 VAL 35 112.446 54.034 39.475 656 3HG1 VAL 35 3HG1 VAL 35 110.893 53.940 38.646 657 1HG2 VAL 35 1HG2 VAL 35 112.206 55.888 41.712 658 2HG2 VAL 35 2HG2 VAL 35 111.331 54.738 42.722 659 3HG2 VAL 35 3HG2 VAL 35 112.609 54.172 41.645 660 H GLU 36 H GLU 36 107.964 54.211 40.431 661 HA GLU 36 HA GLU 36 107.325 54.116 37.705 662 1HB GLU 36 1HB GLU 36 105.887 53.707 40.300 663 2HB GLU 36 2HB GLU 36 104.941 53.668 38.813 664 1HG GLU 36 1HG GLU 36 105.757 51.410 39.468 665 2HG GLU 36 2HG GLU 36 106.385 51.918 37.899 666 H TYR 37 H TYR 37 105.643 56.128 40.160 667 HA TYR 37 HA TYR 37 103.956 57.571 38.435 668 1HB TYR 37 1HB TYR 37 103.860 57.609 40.886 669 2HB TYR 37 2HB TYR 37 105.418 58.433 40.953 670 HD1 TYR 37 HD1 TYR 37 102.075 58.816 39.246 671 HD2 TYR 37 HD2 TYR 37 105.400 60.757 41.202 672 HE1 TYR 37 HE1 TYR 37 100.926 61.016 39.017 673 HE2 TYR 37 HE2 TYR 37 104.251 62.956 40.973 674 HH TYR 37 HH TYR 37 100.930 63.187 39.794 675 H PHE 38 H PHE 38 107.030 58.869 39.754 676 HA PHE 38 HA PHE 38 107.223 61.083 37.995 677 1HB PHE 38 1HB PHE 38 109.245 59.404 39.495 678 2HB PHE 38 2HB PHE 38 109.686 60.891 38.656 679 HD1 PHE 38 HD1 PHE 38 107.480 62.706 39.102 680 HD2 PHE 38 HD2 PHE 38 109.208 59.821 41.811 681 HE1 PHE 38 HE1 PHE 38 106.674 64.046 41.043 682 HE2 PHE 38 HE2 PHE 38 108.403 61.162 43.752 683 HZ PHE 38 HZ PHE 38 107.136 63.275 43.368 684 H THR 39 H THR 39 108.898 57.908 37.726 685 HA THR 39 HA THR 39 110.203 58.307 35.271 686 HB THR 39 HB THR 39 108.825 55.836 36.374 687 HG1 THR 39 HG1 THR 39 111.068 55.458 37.036 688 1HG2 THR 39 1HG2 THR 39 109.912 56.166 33.853 689 2HG2 THR 39 2HG2 THR 39 111.256 55.494 34.778 690 3HG2 THR 39 3HG2 THR 39 109.724 54.626 34.691 691 H ARG 40 H ARG 40 106.802 57.533 35.883 692 HA ARG 40 HA ARG 40 106.161 57.075 33.069 693 1HB ARG 40 1HB ARG 40 104.981 56.038 34.998 694 2HB ARG 40 2HB ARG 40 104.427 57.637 35.497 695 1HG ARG 40 1HG ARG 40 102.854 57.753 33.846 696 2HG ARG 40 2HG ARG 40 103.884 56.933 32.671 697 1HD ARG 40 1HD ARG 40 103.312 55.000 34.654 698 2HD ARG 40 2HD ARG 40 101.774 55.809 34.295 699 HE ARG 40 HE ARG 40 101.949 55.072 32.025 700 1HH1 ARG 40 1HH2 ARG 40 103.027 52.563 33.239 701 2HH1 ARG 40 2HH2 ARG 40 104.495 52.326 32.351 702 1HH2 ARG 40 1HH1 ARG 40 104.604 55.578 31.149 703 2HH2 ARG 40 2HH1 ARG 40 105.387 54.033 31.166 704 H LEU 41 H LEU 41 106.122 59.799 35.305 705 HA LEU 41 HA LEU 41 104.426 61.596 33.915 706 1HB LEU 41 1HB LEU 41 106.185 61.570 36.111 707 2HB LEU 41 2HB LEU 41 106.778 62.861 35.066 708 HG LEU 41 HG LEU 41 104.430 63.751 34.946 709 1HD1 LEU 41 1HD1 LEU 41 103.641 61.332 35.803 710 2HD1 LEU 41 2HD1 LEU 41 103.737 62.149 37.364 711 3HD1 LEU 41 3HD1 LEU 41 102.686 62.785 36.099 712 1HD2 LEU 41 1HD2 LEU 41 106.326 64.258 36.773 713 2HD2 LEU 41 2HD2 LEU 41 104.733 65.011 36.858 714 3HD2 LEU 41 3HD2 LEU 41 105.096 63.601 37.854 715 H ARG 42 H ARG 42 107.832 60.754 33.378 716 HA ARG 42 HA ARG 42 108.528 62.815 31.542 717 1HB ARG 42 1HB ARG 42 109.386 59.902 31.649 718 2HB ARG 42 2HB ARG 42 110.288 61.215 30.890 719 1HG ARG 42 1HG ARG 42 109.619 61.973 33.581 720 2HG ARG 42 2HG ARG 42 110.393 60.388 33.604 721 1HD ARG 42 1HD ARG 42 111.521 62.771 32.095 722 2HD ARG 42 2HD ARG 42 112.038 62.298 33.725 723 HE ARG 42 HE ARG 42 112.806 60.154 32.793 724 1HH1 ARG 42 1HH2 ARG 42 113.934 62.516 31.090 725 2HH1 ARG 42 2HH2 ARG 42 113.792 61.831 29.505 726 1HH2 ARG 42 1HH1 ARG 42 111.682 59.269 30.513 727 2HH2 ARG 42 2HH1 ARG 42 112.517 59.993 29.178 728 H GLU 43 H GLU 43 106.729 59.804 31.097 729 HA GLU 43 HA GLU 43 106.598 60.265 28.157 730 1HB GLU 43 1HB GLU 43 106.220 58.003 30.070 731 2HB GLU 43 2HB GLU 43 105.308 57.946 28.560 732 1HG GLU 43 1HG GLU 43 107.527 58.450 27.378 733 2HG GLU 43 2HG GLU 43 108.306 58.081 28.917 734 H ALA 44 H ALA 44 104.594 60.222 31.063 735 HA ALA 44 HA ALA 44 102.009 60.214 29.860 736 1HB ALA 44 1HB ALA 44 103.262 60.662 32.414 737 2HB ALA 44 2HB ALA 44 102.027 61.897 32.153 738 3HB ALA 44 3HB ALA 44 101.596 60.184 32.081 739 H ARG 45 H ARG 45 103.318 63.099 31.435 740 HA ARG 45 HA ARG 45 103.058 65.361 30.919 741 1HB ARG 45 1HB ARG 45 104.112 63.871 28.602 742 2HB ARG 45 2HB ARG 45 103.495 65.479 28.216 743 1HG ARG 45 1HG ARG 45 105.371 65.009 30.536 744 2HG ARG 45 2HG ARG 45 105.967 65.327 28.907 745 1HD ARG 45 1HD ARG 45 103.862 67.191 29.858 746 2HD ARG 45 2HD ARG 45 105.425 67.311 30.689 747 HE ARG 45 HE ARG 45 105.218 67.365 27.700 748 1HH1 ARG 45 1HH1 ARG 45 105.512 69.450 30.260 749 2HH1 ARG 45 2HH1 ARG 45 107.020 70.147 29.773 750 1HH2 ARG 45 1HH2 ARG 45 107.581 67.833 27.253 751 2HH2 ARG 45 2HH2 ARG 45 108.191 69.233 28.071 752 H ARG 46 H ARG 46 101.893 64.502 27.704 753 HA ARG 46 HA ARG 46 99.820 64.954 26.668 754 1HB ARG 46 1HB ARG 46 99.451 63.525 29.139 755 2HB ARG 46 2HB ARG 46 98.094 64.628 28.910 756 1HG ARG 46 1HG ARG 46 97.235 63.308 27.304 757 2HG ARG 46 2HG ARG 46 98.748 63.367 26.399 758 1HD ARG 46 1HD ARG 46 99.431 61.327 27.178 759 2HD ARG 46 2HD ARG 46 98.801 61.637 28.809 760 HE ARG 46 HE ARG 46 96.998 60.979 26.507 761 1HH1 ARG 46 1HH2 ARG 46 97.843 58.641 28.111 762 2HH1 ARG 46 2HH2 ARG 46 96.613 58.544 29.327 763 1HH2 ARG 46 1HH1 ARG 46 95.472 61.776 28.806 764 2HH2 ARG 46 2HH1 ARG 46 95.273 60.320 29.722 Start of MODEL 11 1 1H HIS 1 1H HIS 1 82.545 64.761 62.050 2 2H HIS 1 2H HIS 1 82.583 66.025 60.915 3 3H HIS 1 3H HIS 1 82.919 64.437 60.423 4 HA HIS 1 HA HIS 1 84.971 65.729 60.617 5 1HB HIS 1 1HB HIS 1 83.645 66.225 63.263 6 2HB HIS 1 2HB HIS 1 85.406 66.277 63.176 7 HD1 HIS 1 HD1 HIS 1 82.975 68.645 63.287 8 HD2 HIS 1 HD2 HIS 1 85.811 67.844 60.337 9 HE1 HIS 1 HE1 HIS 1 83.234 70.777 61.945 10 H MET 2 H MET 2 83.922 63.913 63.531 11 HA MET 2 HA MET 2 84.802 61.937 64.486 12 1HB MET 2 1HB MET 2 84.750 61.659 61.527 13 2HB MET 2 2HB MET 2 85.695 60.451 62.399 14 1HG MET 2 1HG MET 2 83.826 59.711 63.639 15 2HG MET 2 2HG MET 2 82.895 61.162 63.267 16 1HE MET 2 1HE MET 2 81.498 61.523 61.830 17 2HE MET 2 2HE MET 2 81.067 60.700 60.325 18 3HE MET 2 3HE MET 2 80.580 60.020 61.875 19 H GLY 3 H GLY 3 86.937 60.502 64.395 20 1HA GLY 3 1HA GLY 3 89.179 62.379 64.634 21 2HA GLY 3 2HA GLY 3 89.217 60.663 65.039 22 H HIS 4 H HIS 4 90.241 62.945 62.793 23 HA HIS 4 HA HIS 4 90.674 60.832 60.705 24 1HB HIS 4 1HB HIS 4 89.228 62.795 60.128 25 2HB HIS 4 2HB HIS 4 90.598 63.857 60.454 26 HD1 HIS 4 HD1 HIS 4 91.881 64.438 58.408 27 HD2 HIS 4 HD2 HIS 4 90.129 60.670 58.080 28 HE1 HIS 4 HE1 HIS 4 92.486 63.564 56.108 29 H ILE 5 H ILE 5 92.464 60.888 62.851 30 HA ILE 5 HA ILE 5 94.861 62.302 61.730 31 HB ILE 5 HB ILE 5 94.101 63.065 63.938 32 1HG1 ILE 5 1HG1 ILE 5 96.317 61.764 65.103 33 2HG1 ILE 5 2HG1 ILE 5 96.685 61.880 63.383 34 1HG2 ILE 5 1HG2 ILE 5 93.737 60.202 64.312 35 2HG2 ILE 5 2HG2 ILE 5 94.664 60.911 65.634 36 3HG2 ILE 5 3HG2 ILE 5 93.066 61.542 65.241 37 1HD1 ILE 5 1HD1 ILE 5 95.736 64.354 63.733 38 2HD1 ILE 5 2HD1 ILE 5 96.278 64.056 65.384 39 3HD1 ILE 5 3HD1 ILE 5 97.426 63.959 64.050 40 H GLN 6 H GLN 6 95.000 60.281 60.302 41 HA GLN 6 HA GLN 6 96.458 58.116 61.778 42 1HB GLN 6 1HB GLN 6 94.025 58.063 60.144 43 2HB GLN 6 2HB GLN 6 95.241 56.916 59.584 44 1HG GLN 6 1HG GLN 6 95.466 56.219 62.055 45 2HG GLN 6 2HG GLN 6 93.954 57.091 62.309 46 1HE2 GLN 6 2HE2 GLN 6 92.506 55.332 62.586 47 2HE2 GLN 6 1HE2 GLN 6 92.247 54.137 61.409 48 H ILE 7 H ILE 7 98.269 59.641 60.943 49 HA ILE 7 HA ILE 7 98.815 59.272 58.034 50 HB ILE 7 HB ILE 7 100.046 61.029 60.182 51 1HG1 ILE 7 1HG1 ILE 7 97.716 61.614 59.613 52 2HG1 ILE 7 2HG1 ILE 7 98.835 62.839 59.011 53 1HG2 ILE 7 1HG2 ILE 7 100.660 60.570 57.289 54 2HG2 ILE 7 2HG2 ILE 7 100.796 62.211 57.920 55 3HG2 ILE 7 3HG2 ILE 7 101.757 60.912 58.627 56 1HD1 ILE 7 1HD1 ILE 7 98.826 61.551 56.800 57 2HD1 ILE 7 2HD1 ILE 7 97.444 60.663 57.440 58 3HD1 ILE 7 3HD1 ILE 7 97.339 62.407 57.205 59 HA PRO 8 HA PRO 8 101.775 56.167 59.251 60 1HB PRO 8 1HB PRO 8 102.917 55.770 56.803 61 2HB PRO 8 2HB PRO 8 101.329 55.113 57.248 62 1HG PRO 8 1HG PRO 8 102.000 57.489 55.604 63 2HG PRO 8 2HG PRO 8 100.688 56.318 55.416 64 1HD PRO 8 1HD PRO 8 100.378 58.824 56.484 65 2HD PRO 8 2HD PRO 8 99.311 57.446 56.837 66 HA PRO 9 HA PRO 9 105.162 59.098 59.700 67 1HB PRO 9 1HB PRO 9 106.605 57.636 61.504 68 2HB PRO 9 2HB PRO 9 105.181 58.593 61.956 69 1HG PRO 9 1HG PRO 9 105.434 55.665 61.521 70 2HG PRO 9 2HG PRO 9 104.464 56.552 62.706 71 1HD PRO 9 1HD PRO 9 103.454 55.450 60.408 72 2HD PRO 9 2HD PRO 9 102.721 56.825 61.261 73 H GLY 10 H GLY 10 107.522 59.017 59.228 74 1HA GLY 10 1HA GLY 10 109.486 57.871 58.396 75 2HA GLY 10 2HA GLY 10 108.457 56.525 57.909 76 H LEU 11 H LEU 11 106.450 58.221 56.620 77 HA LEU 11 HA LEU 11 107.739 58.478 54.014 78 1HB LEU 11 1HB LEU 11 105.227 57.932 54.971 79 2HB LEU 11 2HB LEU 11 105.044 59.607 54.452 80 HG LEU 11 HG LEU 11 106.492 57.802 52.586 81 1HD1 LEU 11 1HD1 LEU 11 104.120 56.875 53.690 82 2HD1 LEU 11 2HD1 LEU 11 103.590 57.676 52.211 83 3HD1 LEU 11 3HD1 LEU 11 104.787 56.384 52.133 84 1HD2 LEU 11 1HD2 LEU 11 104.652 60.167 52.512 85 2HD2 LEU 11 2HD2 LEU 11 106.193 59.923 51.690 86 3HD2 LEU 11 3HD2 LEU 11 104.738 59.129 51.089 87 H THR 12 H THR 12 106.649 60.692 56.555 88 HA THR 12 HA THR 12 106.705 63.137 55.107 89 HB THR 12 HB THR 12 107.529 62.648 57.983 90 HG1 THR 12 HG1 THR 12 105.428 62.463 58.450 91 1HG2 THR 12 1HG2 THR 12 106.330 64.984 56.484 92 2HG2 THR 12 2HG2 THR 12 106.316 64.873 58.245 93 3HG2 THR 12 3HG2 THR 12 107.849 64.938 57.378 94 H GLU 13 H GLU 13 109.285 61.747 57.166 95 HA GLU 13 HA GLU 13 111.324 63.597 56.635 96 1HB GLU 13 1HB GLU 13 111.312 60.610 57.125 97 2HB GLU 13 2HB GLU 13 112.803 61.553 57.089 98 1HG GLU 13 1HG GLU 13 110.567 62.563 58.792 99 2HG GLU 13 2HG GLU 13 111.463 61.156 59.366 100 H LEU 14 H LEU 14 110.132 60.972 54.597 101 HA LEU 14 HA LEU 14 112.334 60.952 52.726 102 1HB LEU 14 1HB LEU 14 110.528 59.200 53.155 103 2HB LEU 14 2HB LEU 14 109.432 60.232 52.235 104 HG LEU 14 HG LEU 14 111.149 60.175 50.356 105 1HD1 LEU 14 1HD1 LEU 14 112.360 58.266 52.325 106 2HD1 LEU 14 2HD1 LEU 14 112.532 57.929 50.601 107 3HD1 LEU 14 3HD1 LEU 14 113.152 59.438 51.271 108 1HD2 LEU 14 1HD2 LEU 14 109.633 57.751 51.320 109 2HD2 LEU 14 2HD2 LEU 14 109.228 58.852 50.003 110 3HD2 LEU 14 3HD2 LEU 14 110.548 57.699 49.813 111 H LEU 15 H LEU 15 109.020 62.302 52.410 112 HA LEU 15 HA LEU 15 109.517 63.729 49.984 113 1HB LEU 15 1HB LEU 15 107.470 63.437 52.041 114 2HB LEU 15 2HB LEU 15 107.535 65.088 51.421 115 HG LEU 15 HG LEU 15 107.513 64.096 49.084 116 1HD1 LEU 15 1HD1 LEU 15 107.893 61.715 50.513 117 2HD1 LEU 15 2HD1 LEU 15 106.226 61.634 49.941 118 3HD1 LEU 15 3HD1 LEU 15 107.543 61.861 48.791 119 1HD2 LEU 15 1HD2 LEU 15 105.497 65.032 50.304 120 2HD2 LEU 15 2HD2 LEU 15 105.114 63.832 49.069 121 3HD2 LEU 15 3HD2 LEU 15 105.100 63.379 50.773 122 H GLN 16 H GLN 16 109.593 64.820 53.396 123 HA GLN 16 HA GLN 16 110.176 67.550 53.010 124 1HB GLN 16 1HB GLN 16 110.142 65.626 55.083 125 2HB GLN 16 2HB GLN 16 111.733 66.382 55.161 126 1HG GLN 16 1HG GLN 16 110.672 68.614 55.179 127 2HG GLN 16 2HG GLN 16 109.081 67.854 55.114 128 1HE2 GLN 16 2HE2 GLN 16 110.611 69.479 57.310 129 2HE2 GLN 16 1HE2 GLN 16 110.408 68.527 58.701 130 H GLY 17 H GLY 17 112.318 64.732 52.796 131 1HA GLY 17 1HA GLY 17 114.804 66.132 52.711 132 2HA GLY 17 2HA GLY 17 114.518 64.544 51.995 133 H TYR 18 H TYR 18 112.849 64.857 49.988 134 HA TYR 18 HA TYR 18 114.198 65.877 47.796 135 1HB TYR 18 1HB TYR 18 111.887 64.612 48.226 136 2HB TYR 18 2HB TYR 18 111.232 66.228 47.958 137 HD1 TYR 18 HD1 TYR 18 114.120 64.332 46.486 138 HD2 TYR 18 HD2 TYR 18 110.422 66.437 45.774 139 HE1 TYR 18 HE1 TYR 18 114.432 64.049 44.024 140 HE2 TYR 18 HE2 TYR 18 110.728 66.156 43.317 141 HH TYR 18 HH TYR 18 112.546 65.760 41.720 142 H THR 19 H THR 19 112.087 67.662 50.014 143 HA THR 19 HA THR 19 111.989 70.119 48.515 144 HB THR 19 HB THR 19 111.651 69.387 51.441 145 HG1 THR 19 HG1 THR 19 109.815 69.938 49.353 146 1HG2 THR 19 1HG2 THR 19 112.214 71.827 51.045 147 2HG2 THR 19 2HG2 THR 19 110.736 71.932 50.089 148 3HG2 THR 19 3HG2 THR 19 110.650 71.533 51.805 149 H VAL 20 H VAL 20 114.218 68.831 50.963 150 HA VAL 20 HA VAL 20 115.739 71.347 51.117 151 HB VAL 20 HB VAL 20 116.219 68.557 52.215 152 1HG1 VAL 20 1HG1 VAL 20 118.215 70.144 52.049 153 2HG1 VAL 20 2HG1 VAL 20 117.364 71.182 53.191 154 3HG1 VAL 20 3HG1 VAL 20 117.839 69.553 53.667 155 1HG2 VAL 20 1HG2 VAL 20 114.107 70.052 52.842 156 2HG2 VAL 20 2HG2 VAL 20 114.991 69.167 54.086 157 3HG2 VAL 20 3HG2 VAL 20 115.290 70.889 53.849 158 H GLU 21 H GLU 21 115.874 68.332 49.341 159 HA GLU 21 HA GLU 21 118.687 68.575 48.558 160 1HB GLU 21 1HB GLU 21 116.624 67.055 46.975 161 2HB GLU 21 2HB GLU 21 118.286 66.606 47.339 162 1HG GLU 21 1HG GLU 21 117.094 66.731 49.844 163 2HG GLU 21 2HG GLU 21 115.837 66.037 48.819 164 H VAL 22 H VAL 22 115.607 68.876 46.806 165 HA VAL 22 HA VAL 22 116.590 69.961 44.395 166 HB VAL 22 HB VAL 22 113.984 70.496 45.864 167 1HG1 VAL 22 1HG1 VAL 22 115.012 71.306 43.295 168 2HG1 VAL 22 2HG1 VAL 22 113.630 70.234 43.077 169 3HG1 VAL 22 3HG1 VAL 22 113.464 71.699 44.042 170 1HG2 VAL 22 1HG2 VAL 22 115.049 68.040 45.148 171 2HG2 VAL 22 2HG2 VAL 22 113.333 68.378 45.371 172 3HG2 VAL 22 3HG2 VAL 22 114.043 68.449 43.759 173 H LEU 23 H LEU 23 115.750 71.569 47.456 174 HA LEU 23 HA LEU 23 116.029 74.271 46.425 175 1HB LEU 23 1HB LEU 23 115.650 72.860 49.015 176 2HB LEU 23 2HB LEU 23 116.338 74.481 49.109 177 HG LEU 23 HG LEU 23 113.867 74.543 49.237 178 1HD1 LEU 23 1HD1 LEU 23 115.383 76.271 47.960 179 2HD1 LEU 23 2HD1 LEU 23 114.582 75.626 46.527 180 3HD1 LEU 23 3HD1 LEU 23 113.629 76.374 47.809 181 1HD2 LEU 23 1HD2 LEU 23 113.953 72.483 47.434 182 2HD2 LEU 23 2HD2 LEU 23 112.513 73.446 47.765 183 3HD2 LEU 23 3HD2 LEU 23 113.538 73.839 46.385 184 H ARG 24 H ARG 24 118.254 71.861 47.634 185 HA ARG 24 HA ARG 24 120.396 73.813 48.175 186 1HB ARG 24 1HB ARG 24 119.808 71.546 49.342 187 2HB ARG 24 2HB ARG 24 120.688 70.821 47.996 188 1HG ARG 24 1HG ARG 24 122.475 71.139 49.397 189 2HG ARG 24 2HG ARG 24 122.448 72.748 48.675 190 1HD ARG 24 1HD ARG 24 121.369 73.705 50.550 191 2HD ARG 24 2HD ARG 24 120.827 72.126 51.152 192 HE ARG 24 HE ARG 24 123.680 73.033 51.158 193 1HH1 ARG 24 1HH2 ARG 24 122.128 72.887 53.723 194 2HH1 ARG 24 2HH2 ARG 24 122.579 71.329 54.329 195 1HH2 ARG 24 1HH1 ARG 24 123.823 70.212 51.290 196 2HH2 ARG 24 2HH1 ARG 24 123.538 69.813 52.952 197 H GLN 25 H GLN 25 120.302 70.888 46.095 198 HA GLN 25 HA GLN 25 122.449 71.898 44.409 199 1HB GLN 25 1HB GLN 25 122.072 69.778 43.230 200 2HB GLN 25 2HB GLN 25 122.035 69.507 44.972 201 1HG GLN 25 1HG GLN 25 119.428 70.009 44.597 202 2HG GLN 25 2HG GLN 25 119.810 69.395 42.989 203 1HE2 GLN 25 2HE2 GLN 25 120.845 68.476 46.333 204 2HE2 GLN 25 1HE2 GLN 25 120.512 66.823 46.132 205 H GLN 26 H GLN 26 118.931 71.862 44.244 206 HA GLN 26 HA GLN 26 117.450 72.786 42.646 207 1HB GLN 26 1HB GLN 26 119.784 74.475 43.025 208 2HB GLN 26 2HB GLN 26 119.122 74.677 41.403 209 1HG GLN 26 1HG GLN 26 116.854 74.990 42.427 210 2HG GLN 26 2HG GLN 26 117.615 74.949 44.018 211 1HE2 GLN 26 2HE2 GLN 26 116.640 77.269 44.051 212 2HE2 GLN 26 1HE2 GLN 26 117.607 78.514 43.424 213 HA PRO 27 HA PRO 27 119.501 70.324 39.284 214 1HB PRO 27 1HB PRO 27 117.431 68.574 38.909 215 2HB PRO 27 2HB PRO 27 118.718 68.310 40.104 216 1HG PRO 27 1HG PRO 27 115.952 69.336 40.499 217 2HG PRO 27 2HG PRO 27 116.907 68.243 41.512 218 1HD PRO 27 1HD PRO 27 116.560 70.888 42.069 219 2HD PRO 27 2HD PRO 27 117.989 69.959 42.570 220 HA PRO 28 HA PRO 28 117.297 72.510 36.159 221 1HB PRO 28 1HB PRO 28 117.832 70.975 33.954 222 2HB PRO 28 2HB PRO 28 119.039 72.033 34.713 223 1HG PRO 28 1HG PRO 28 118.675 69.089 34.970 224 2HG PRO 28 2HG PRO 28 120.167 70.037 34.854 225 1HD PRO 28 1HD PRO 28 119.213 69.048 37.200 226 2HD PRO 28 2HD PRO 28 120.182 70.533 37.091 227 H ASP 29 H ASP 29 116.768 69.012 36.395 228 HA ASP 29 HA ASP 29 113.926 69.462 35.540 229 1HB ASP 29 1HB ASP 29 115.764 67.109 34.992 230 2HB ASP 29 2HB ASP 29 114.084 67.235 34.469 231 H LEU 30 H LEU 30 112.662 69.120 37.327 232 HA LEU 30 HA LEU 30 113.562 67.593 39.633 233 1HB LEU 30 1HB LEU 30 112.049 69.570 39.693 234 2HB LEU 30 2HB LEU 30 110.825 68.639 38.828 235 HG LEU 30 HG LEU 30 111.154 66.909 40.773 236 1HD1 LEU 30 1HD1 LEU 30 112.272 69.480 41.912 237 2HD1 LEU 30 2HD1 LEU 30 111.651 68.176 42.924 238 3HD1 LEU 30 3HD1 LEU 30 113.042 67.893 41.876 239 1HD2 LEU 30 1HD2 LEU 30 109.567 69.400 40.579 240 2HD2 LEU 30 2HD2 LEU 30 109.030 67.742 40.849 241 3HD2 LEU 30 3HD2 LEU 30 109.652 68.696 42.194 242 H VAL 31 H VAL 31 111.146 67.040 37.054 243 HA VAL 31 HA VAL 31 110.049 64.592 37.876 244 HB VAL 31 HB VAL 31 110.907 65.423 35.083 245 1HG1 VAL 31 1HG1 VAL 31 109.309 63.220 36.179 246 2HG1 VAL 31 2HG1 VAL 31 108.447 64.152 34.956 247 3HG1 VAL 31 3HG1 VAL 31 110.000 63.412 34.568 248 1HG2 VAL 31 1HG2 VAL 31 108.759 66.352 36.932 249 2HG2 VAL 31 2HG2 VAL 31 109.611 67.238 35.668 250 3HG2 VAL 31 3HG2 VAL 31 108.308 66.129 35.242 251 H ASP 32 H ASP 32 112.786 64.929 35.605 252 HA ASP 32 HA ASP 32 113.582 62.206 35.611 253 1HB ASP 32 1HB ASP 32 114.237 64.501 34.318 254 2HB ASP 32 2HB ASP 32 115.643 64.331 35.372 255 H PHE 33 H PHE 33 114.516 64.913 37.727 256 HA PHE 33 HA PHE 33 116.605 63.583 39.158 257 1HB PHE 33 1HB PHE 33 116.199 66.000 39.218 258 2HB PHE 33 2HB PHE 33 114.623 65.737 39.968 259 HD1 PHE 33 HD1 PHE 33 118.045 64.282 40.572 260 HD2 PHE 33 HD2 PHE 33 114.661 66.400 42.217 261 HE1 PHE 33 HE1 PHE 33 119.115 64.243 42.822 262 HE2 PHE 33 HE2 PHE 33 115.732 66.360 44.468 263 HZ PHE 33 HZ PHE 33 117.960 65.283 44.771 264 H ALA 34 H ALA 34 113.144 64.005 39.980 265 HA ALA 34 HA ALA 34 113.048 62.525 42.366 266 1HB ALA 34 1HB ALA 34 111.273 63.547 40.322 267 2HB ALA 34 2HB ALA 34 110.702 61.974 40.878 268 3HB ALA 34 3HB ALA 34 110.943 63.284 42.033 269 H VAL 35 H VAL 35 112.992 61.363 39.002 270 HA VAL 35 HA VAL 35 112.467 58.596 39.676 271 HB VAL 35 HB VAL 35 113.624 60.003 37.251 272 1HG1 VAL 35 1HG1 VAL 35 113.071 57.167 37.864 273 2HG1 VAL 35 2HG1 VAL 35 112.434 57.740 36.323 274 3HG1 VAL 35 3HG1 VAL 35 114.158 57.871 36.667 275 1HG2 VAL 35 1HG2 VAL 35 111.289 60.627 38.023 276 2HG2 VAL 35 2HG2 VAL 35 111.372 59.957 36.393 277 3HG2 VAL 35 3HG2 VAL 35 110.825 58.951 37.734 278 H GLU 36 H GLU 36 115.423 60.333 38.609 279 HA GLU 36 HA GLU 36 117.220 58.138 38.849 280 1HB GLU 36 1HB GLU 36 117.636 61.124 39.217 281 2HB GLU 36 2HB GLU 36 118.916 59.954 38.888 282 1HG GLU 36 1HG GLU 36 116.711 59.704 36.997 283 2HG GLU 36 2HG GLU 36 117.415 61.321 36.974 284 H TYR 37 H TYR 37 115.925 60.361 41.264 285 HA TYR 37 HA TYR 37 117.829 59.613 43.349 286 1HB TYR 37 1HB TYR 37 116.653 61.799 43.190 287 2HB TYR 37 2HB TYR 37 115.117 60.972 43.456 288 HD1 TYR 37 HD1 TYR 37 118.385 61.861 44.991 289 HD2 TYR 37 HD2 TYR 37 114.460 60.188 45.645 290 HE1 TYR 37 HE1 TYR 37 118.750 61.970 47.454 291 HE2 TYR 37 HE2 TYR 37 114.823 60.297 48.109 292 HH TYR 37 HH TYR 37 116.162 61.121 49.744 293 H PHE 38 H PHE 38 114.266 59.218 43.279 294 HA PHE 38 HA PHE 38 114.054 57.269 45.286 295 1HB PHE 38 1HB PHE 38 112.496 57.908 42.781 296 2HB PHE 38 2HB PHE 38 111.961 56.634 43.878 297 HD1 PHE 38 HD1 PHE 38 112.467 57.550 46.535 298 HD2 PHE 38 HD2 PHE 38 111.240 59.859 43.098 299 HE1 PHE 38 HE1 PHE 38 111.467 59.264 48.044 300 HE2 PHE 38 HE2 PHE 38 110.240 61.573 44.607 301 HZ PHE 38 HZ PHE 38 110.354 61.276 47.080 302 H THR 39 H THR 39 114.541 56.755 41.776 303 HA THR 39 HA THR 39 114.456 53.934 41.718 304 HB THR 39 HB THR 39 116.143 55.950 40.199 305 HG1 THR 39 HG1 THR 39 114.474 55.847 38.748 306 1HG2 THR 39 1HG2 THR 39 117.054 53.634 40.038 307 2HG2 THR 39 2HG2 THR 39 115.480 53.087 39.459 308 3HG2 THR 39 3HG2 THR 39 116.426 54.224 38.499 309 H ARG 40 H ARG 40 117.226 56.091 42.405 310 HA ARG 40 HA ARG 40 119.114 53.935 42.840 311 1HB ARG 40 1HB ARG 40 118.935 56.895 43.233 312 2HB ARG 40 2HB ARG 40 120.212 56.035 44.093 313 1HG ARG 40 1HG ARG 40 120.434 54.910 41.623 314 2HG ARG 40 2HG ARG 40 119.897 56.535 41.193 315 1HD ARG 40 1HD ARG 40 121.775 57.136 43.074 316 2HD ARG 40 2HD ARG 40 122.471 55.661 42.374 317 HE ARG 40 HE ARG 40 121.650 58.035 40.740 318 1HH1 ARG 40 1HH2 ARG 40 124.559 57.453 41.447 319 2HH1 ARG 40 2HH2 ARG 40 125.101 56.659 40.007 320 1HH2 ARG 40 1HH1 ARG 40 121.900 56.044 38.825 321 2HH2 ARG 40 2HH1 ARG 40 123.595 55.861 38.522 322 H LEU 41 H LEU 41 116.771 55.618 44.841 323 HA LEU 41 HA LEU 41 117.799 54.975 47.431 324 1HB LEU 41 1HB LEU 41 115.860 56.522 46.570 325 2HB LEU 41 2HB LEU 41 114.868 55.072 46.742 326 HG LEU 41 HG LEU 41 115.828 54.887 49.114 327 1HD1 LEU 41 1HD1 LEU 41 117.688 56.528 48.635 328 2HD1 LEU 41 2HD1 LEU 41 116.472 57.805 48.610 329 3HD1 LEU 41 3HD1 LEU 41 116.760 56.889 50.090 330 1HD2 LEU 41 1HD2 LEU 41 113.880 56.899 48.079 331 2HD2 LEU 41 2HD2 LEU 41 113.616 55.537 49.168 332 3HD2 LEU 41 3HD2 LEU 41 114.344 57.024 49.777 333 H ARG 42 H ARG 42 116.090 53.065 45.039 334 HA ARG 42 HA ARG 42 115.218 50.966 46.837 335 1HB ARG 42 1HB ARG 42 114.083 51.385 44.755 336 2HB ARG 42 2HB ARG 42 115.590 51.279 43.845 337 1HG ARG 42 1HG ARG 42 115.394 49.055 43.656 338 2HG ARG 42 2HG ARG 42 115.173 48.877 45.395 339 1HD ARG 42 1HD ARG 42 112.740 49.791 44.876 340 2HD ARG 42 2HD ARG 42 113.093 49.175 43.249 341 HE ARG 42 HE ARG 42 113.920 47.114 44.881 342 1HH1 ARG 42 1HH1 ARG 42 111.766 48.377 46.710 343 2HH1 ARG 42 2HH1 ARG 42 110.406 47.375 46.322 344 1HH2 ARG 42 1HH2 ARG 42 111.851 46.066 43.456 345 2HH2 ARG 42 2HH2 ARG 42 110.455 46.068 44.480 346 H GLU 43 H GLU 43 118.157 51.687 45.051 347 HA GLU 43 HA GLU 43 119.266 48.987 45.690 348 1HB GLU 43 1HB GLU 43 119.680 51.116 43.658 349 2HB GLU 43 2HB GLU 43 121.123 50.231 44.154 350 1HG GLU 43 1HG GLU 43 119.594 48.116 43.821 351 2HG GLU 43 2HG GLU 43 118.642 49.203 42.808 352 H ALA 44 H ALA 44 118.983 51.680 47.397 353 HA ALA 44 HA ALA 44 121.849 52.002 48.151 354 1HB ALA 44 1HB ALA 44 119.534 53.659 47.952 355 2HB ALA 44 2HB ALA 44 120.013 53.617 49.653 356 3HB ALA 44 3HB ALA 44 121.166 54.138 48.420 357 H ARG 45 H ARG 45 118.818 52.013 50.027 358 HA ARG 45 HA ARG 45 119.816 51.236 52.494 359 1HB ARG 45 1HB ARG 45 117.268 51.169 51.038 360 2HB ARG 45 2HB ARG 45 117.361 49.963 52.320 361 1HG ARG 45 1HG ARG 45 118.059 52.882 52.729 362 2HG ARG 45 2HG ARG 45 116.463 52.209 53.060 363 1HD ARG 45 1HD ARG 45 117.946 50.424 54.430 364 2HD ARG 45 2HD ARG 45 119.014 51.835 54.556 365 HE ARG 45 HE ARG 45 116.143 52.297 55.109 366 1HH1 ARG 45 1HH1 ARG 45 118.359 54.155 55.944 367 2HH1 ARG 45 2HH1 ARG 45 118.504 53.801 57.633 368 1HH2 ARG 45 1HH2 ARG 45 116.750 50.818 57.429 369 2HH2 ARG 45 2HH2 ARG 45 117.593 51.911 58.473 370 H ARG 46 H ARG 46 118.451 49.002 50.059 371 HA ARG 46 HA ARG 46 119.163 46.584 51.415 372 1HB ARG 46 1HB ARG 46 117.575 47.168 49.397 373 2HB ARG 46 2HB ARG 46 119.012 46.857 48.423 374 1HG ARG 46 1HG ARG 46 119.049 44.612 48.938 375 2HG ARG 46 2HG ARG 46 118.323 44.857 50.528 376 1HD ARG 46 1HD ARG 46 116.180 44.722 49.712 377 2HD ARG 46 2HD ARG 46 116.604 45.535 48.191 378 HE ARG 46 HE ARG 46 117.103 43.417 47.273 379 1HH1 ARG 46 1HH2 ARG 46 115.304 42.307 49.494 380 2HH1 ARG 46 2HH2 ARG 46 116.312 41.051 50.132 381 1HH2 ARG 46 1HH1 ARG 46 119.198 42.236 48.619 382 2HH2 ARG 46 2HH1 ARG 46 118.516 41.011 49.637 383 1H HIS 1 1H HIS 1 117.586 87.724 60.721 384 2H HIS 1 2H HIS 1 117.556 86.426 61.816 385 3H HIS 1 3H HIS 1 118.306 86.242 60.306 386 HA HIS 1 HA HIS 1 116.131 85.157 60.319 387 1HB HIS 1 1HB HIS 1 115.484 87.900 61.349 388 2HB HIS 1 2HB HIS 1 114.241 87.010 60.472 389 HD1 HIS 1 HD1 HIS 1 114.832 87.628 63.758 390 HD2 HIS 1 HD2 HIS 1 114.685 84.011 61.690 391 HE1 HIS 1 HE1 HIS 1 114.350 85.836 65.482 392 H MET 2 H MET 2 116.222 88.577 59.230 393 HA MET 2 HA MET 2 116.010 89.482 57.054 394 1HB MET 2 1HB MET 2 117.704 87.041 56.939 395 2HB MET 2 2HB MET 2 117.133 87.659 55.389 396 1HG MET 2 1HG MET 2 118.184 89.751 55.700 397 2HG MET 2 2HG MET 2 118.373 89.496 57.434 398 1HE MET 2 1HE MET 2 119.953 88.817 58.521 399 2HE MET 2 2HE MET 2 121.421 87.926 58.099 400 3HE MET 2 3HE MET 2 121.287 89.642 57.721 401 H GLY 3 H GLY 3 115.187 88.784 54.716 402 1HA GLY 3 1HA GLY 3 112.579 87.506 55.134 403 2HA GLY 3 2HA GLY 3 113.136 88.259 53.639 404 H HIS 4 H HIS 4 112.501 85.308 55.116 405 HA HIS 4 HA HIS 4 114.252 83.850 53.163 406 1HB HIS 4 1HB HIS 4 114.683 83.527 55.609 407 2HB HIS 4 2HB HIS 4 113.036 82.922 55.785 408 HD1 HIS 4 HD1 HIS 4 112.900 80.443 55.677 409 HD2 HIS 4 HD2 HIS 4 116.072 81.890 53.393 410 HE1 HIS 4 HE1 HIS 4 114.054 78.417 54.691 411 H ILE 5 H ILE 5 111.827 84.854 52.200 412 HA ILE 5 HA ILE 5 110.026 82.454 52.183 413 HB ILE 5 HB ILE 5 109.080 84.504 53.155 414 1HG1 ILE 5 1HG1 ILE 5 107.486 84.812 50.847 415 2HG1 ILE 5 2HG1 ILE 5 108.057 83.143 50.810 416 1HG2 ILE 5 1HG2 ILE 5 110.480 85.692 50.898 417 2HG2 ILE 5 2HG2 ILE 5 108.801 86.226 50.965 418 3HG2 ILE 5 3HG2 ILE 5 109.858 86.465 52.355 419 1HD1 ILE 5 1HD1 ILE 5 107.412 83.266 53.402 420 2HD1 ILE 5 2HD1 ILE 5 106.305 84.503 52.807 421 3HD1 ILE 5 3HD1 ILE 5 106.217 82.861 52.169 422 H GLN 6 H GLN 6 111.609 81.671 50.439 423 HA GLN 6 HA GLN 6 110.796 82.802 47.782 424 1HB GLN 6 1HB GLN 6 113.416 82.529 49.068 425 2HB GLN 6 2HB GLN 6 113.365 81.778 47.472 426 1HG GLN 6 1HG GLN 6 112.247 83.960 46.677 427 2HG GLN 6 2HG GLN 6 112.798 84.652 48.203 428 1HE2 GLN 6 2HE2 GLN 6 114.514 85.983 47.455 429 2HE2 GLN 6 1HE2 GLN 6 115.863 85.389 46.615 430 H ILE 7 H ILE 7 109.218 80.886 48.159 431 HA ILE 7 HA ILE 7 110.499 78.241 47.652 432 HB ILE 7 HB ILE 7 107.688 79.083 48.427 433 1HG1 ILE 7 1HG1 ILE 7 109.382 79.512 50.170 434 2HG1 ILE 7 2HG1 ILE 7 108.322 78.184 50.642 435 1HG2 ILE 7 1HG2 ILE 7 108.955 76.444 47.810 436 2HG2 ILE 7 2HG2 ILE 7 107.770 76.512 49.113 437 3HG2 ILE 7 3HG2 ILE 7 107.316 77.003 47.481 438 1HD1 ILE 7 1HD1 ILE 7 110.073 76.617 49.630 439 2HD1 ILE 7 2HD1 ILE 7 111.146 78.015 49.574 440 3HD1 ILE 7 3HD1 ILE 7 110.535 77.433 51.123 441 HA PRO 8 HA PRO 8 109.180 78.701 43.415 442 1HB PRO 8 1HB PRO 8 109.806 76.185 42.560 443 2HB PRO 8 2HB PRO 8 111.024 77.449 42.819 444 1HG PRO 8 1HG PRO 8 110.286 75.154 44.546 445 2HG PRO 8 2HG PRO 8 111.871 75.874 44.242 446 1HD PRO 8 1HD PRO 8 110.388 76.320 46.503 447 2HD PRO 8 2HD PRO 8 111.610 77.444 45.873 448 HA PRO 9 HA PRO 9 105.151 76.819 44.120 449 1HB PRO 9 1HB PRO 9 103.857 78.067 42.060 450 2HB PRO 9 2HB PRO 9 104.205 78.867 43.605 451 1HG PRO 9 1HG PRO 9 105.607 79.100 40.996 452 2HG PRO 9 2HG PRO 9 105.280 80.338 42.218 453 1HD PRO 9 1HD PRO 9 107.707 79.107 41.891 454 2HD PRO 9 2HD PRO 9 107.153 79.829 43.417 455 H GLY 10 H GLY 10 103.737 75.362 42.829 456 1HA GLY 10 1HA GLY 10 103.282 74.040 40.853 457 2HA GLY 10 2HA GLY 10 104.898 74.425 40.259 458 H LEU 11 H LEU 11 106.220 73.817 42.803 459 HA LEU 11 HA LEU 11 106.523 70.937 42.430 460 1HB LEU 11 1HB LEU 11 108.088 73.034 43.248 461 2HB LEU 11 2HB LEU 11 107.711 72.262 44.788 462 HG LEU 11 HG LEU 11 108.472 70.452 42.557 463 1HD1 LEU 11 1HD1 LEU 11 110.040 72.705 42.978 464 2HD1 LEU 11 2HD1 LEU 11 110.813 71.480 43.984 465 3HD1 LEU 11 3HD1 LEU 11 110.589 71.191 42.258 466 1HD2 LEU 11 1HD2 LEU 11 108.735 70.642 45.536 467 2HD2 LEU 11 2HD2 LEU 11 108.165 69.297 44.548 468 3HD2 LEU 11 3HD2 LEU 11 109.891 69.642 44.656 469 H THR 12 H THR 12 104.969 73.058 44.800 470 HA THR 12 HA THR 12 104.541 71.191 46.899 471 HB THR 12 HB THR 12 102.691 73.397 45.950 472 HG1 THR 12 HG1 THR 12 104.048 74.799 46.881 473 1HG2 THR 12 1HG2 THR 12 103.241 72.094 48.621 474 2HG2 THR 12 2HG2 THR 12 102.391 73.632 48.468 475 3HG2 THR 12 3HG2 THR 12 101.708 72.172 47.752 476 H GLU 13 H GLU 13 102.266 72.121 44.296 477 HA GLU 13 HA GLU 13 100.214 70.281 44.817 478 1HB GLU 13 1HB GLU 13 101.357 71.444 42.267 479 2HB GLU 13 2HB GLU 13 99.866 70.503 42.288 480 1HG GLU 13 1HG GLU 13 100.125 72.726 44.264 481 2HG GLU 13 2HG GLU 13 99.839 73.159 42.578 482 H LEU 14 H LEU 14 103.346 69.727 43.283 483 HA LEU 14 HA LEU 14 102.736 67.131 42.167 484 1HB LEU 14 1HB LEU 14 104.625 68.754 41.608 485 2HB LEU 14 2HB LEU 14 105.411 68.212 43.092 486 HG LEU 14 HG LEU 14 105.177 65.837 42.203 487 1HD1 LEU 14 1HD1 LEU 14 104.172 67.442 39.879 488 2HD1 LEU 14 2HD1 LEU 14 105.097 65.975 39.560 489 3HD1 LEU 14 3HD1 LEU 14 103.604 65.891 40.494 490 1HD2 LEU 14 1HD2 LEU 14 106.889 67.955 40.909 491 2HD2 LEU 14 2HD2 LEU 14 107.352 66.739 42.098 492 3HD2 LEU 14 3HD2 LEU 14 107.036 66.265 40.429 493 H LEU 15 H LEU 15 104.653 68.037 45.065 494 HA LEU 15 HA LEU 15 104.893 65.380 46.096 495 1HB LEU 15 1HB LEU 15 105.436 68.143 46.853 496 2HB LEU 15 2HB LEU 15 104.946 67.177 48.245 497 HG LEU 15 HG LEU 15 106.630 65.433 47.491 498 1HD1 LEU 15 1HD1 LEU 15 106.719 67.073 45.218 499 2HD1 LEU 15 2HD1 LEU 15 108.252 67.364 46.042 500 3HD1 LEU 15 3HD1 LEU 15 107.796 65.724 45.581 501 1HD2 LEU 15 1HD2 LEU 15 107.012 67.168 49.301 502 2HD2 LEU 15 2HD2 LEU 15 108.483 66.580 48.527 503 3HD2 LEU 15 3HD2 LEU 15 107.825 68.155 48.086 504 H GLN 16 H GLN 16 102.567 67.993 46.869 505 HA GLN 16 HA GLN 16 101.084 66.726 48.901 506 1HB GLN 16 1HB GLN 16 100.932 68.990 47.217 507 2HB GLN 16 2HB GLN 16 99.394 68.148 47.019 508 1HG GLN 16 1HG GLN 16 99.113 68.093 49.475 509 2HG GLN 16 2HG GLN 16 100.641 68.950 49.666 510 1HE2 GLN 16 2HE2 GLN 16 97.654 69.732 50.172 511 2HE2 GLN 16 1HE2 GLN 16 97.521 71.248 49.420 512 H GLY 17 H GLY 17 100.953 66.263 45.388 513 1HA GLY 17 1HA GLY 17 98.558 64.713 45.282 514 2HA GLY 17 2HA GLY 17 99.869 64.622 44.103 515 H TYR 18 H TYR 18 101.966 63.589 45.309 516 HA TYR 18 HA TYR 18 101.658 60.847 45.544 517 1HB TYR 18 1HB TYR 18 103.687 62.582 45.669 518 2HB TYR 18 2HB TYR 18 103.545 62.246 47.394 519 HD1 TYR 18 HD1 TYR 18 103.105 60.146 44.314 520 HD2 TYR 18 HD2 TYR 18 105.162 60.693 48.066 521 HE1 TYR 18 HE1 TYR 18 104.282 57.966 43.987 522 HE2 TYR 18 HE2 TYR 18 106.338 58.519 47.745 523 HH TYR 18 HH TYR 18 106.040 56.431 46.509 524 H THR 19 H THR 19 101.205 63.267 48.095 525 HA THR 19 HA THR 19 100.905 61.422 50.285 526 HB THR 19 HB THR 19 99.977 64.260 49.741 527 HG1 THR 19 HG1 THR 19 102.121 63.173 51.242 528 1HG2 THR 19 1HG2 THR 19 98.644 63.066 51.535 529 2HG2 THR 19 2HG2 THR 19 100.153 62.890 52.431 530 3HG2 THR 19 3HG2 THR 19 99.517 64.497 52.081 531 H VAL 20 H VAL 20 98.635 62.821 47.938 532 HA VAL 20 HA VAL 20 96.297 61.638 49.279 533 HB VAL 20 HB VAL 20 96.674 63.052 46.617 534 1HG1 VAL 20 1HG1 VAL 20 94.591 61.604 46.924 535 2HG1 VAL 20 2HG1 VAL 20 94.130 62.709 48.219 536 3HG1 VAL 20 3HG1 VAL 20 94.297 63.307 46.568 537 1HG2 VAL 20 1HG2 VAL 20 97.174 64.178 48.977 538 2HG2 VAL 20 2HG2 VAL 20 96.306 65.059 47.721 539 3HG2 VAL 20 3HG2 VAL 20 95.415 64.293 49.035 540 H GLU 21 H GLU 21 98.514 60.803 46.700 541 HA GLU 21 HA GLU 21 96.780 58.793 45.458 542 1HB GLU 21 1HB GLU 21 99.788 58.752 45.301 543 2HB GLU 21 2HB GLU 21 98.612 58.418 44.034 544 1HG GLU 21 1HG GLU 21 98.121 61.075 44.682 545 2HG GLU 21 2HG GLU 21 99.877 60.937 44.784 546 H VAL 22 H VAL 22 99.763 58.620 47.387 547 HA VAL 22 HA VAL 22 99.797 55.843 47.874 548 HB VAL 22 HB VAL 22 100.666 58.153 49.648 549 1HG1 VAL 22 1HG1 VAL 22 100.880 55.285 49.879 550 2HG1 VAL 22 2HG1 VAL 22 102.483 55.998 49.709 551 3HG1 VAL 22 3HG1 VAL 22 101.416 56.530 51.007 552 1HG2 VAL 22 1HG2 VAL 22 101.408 57.654 47.022 553 2HG2 VAL 22 2HG2 VAL 22 102.368 58.551 48.200 554 3HG2 VAL 22 3HG2 VAL 22 102.662 56.830 47.947 555 H LEU 23 H LEU 23 98.076 58.448 49.585 556 HA LEU 23 HA LEU 23 97.154 56.770 51.770 557 1HB LEU 23 1HB LEU 23 96.744 59.509 50.685 558 2HB LEU 23 2HB LEU 23 95.447 58.876 51.698 559 HG LEU 23 HG LEU 23 97.129 60.094 53.044 560 1HD1 LEU 23 1HD1 LEU 23 95.894 57.885 53.759 561 2HD1 LEU 23 2HD1 LEU 23 97.509 57.181 53.679 562 3HD1 LEU 23 3HD1 LEU 23 97.186 58.524 54.774 563 1HD2 LEU 23 1HD2 LEU 23 98.955 59.025 51.308 564 2HD2 LEU 23 2HD2 LEU 23 99.373 59.721 52.873 565 3HD2 LEU 23 3HD2 LEU 23 99.166 57.977 52.710 566 H ARG 24 H ARG 24 96.048 57.389 48.511 567 HA ARG 24 HA ARG 24 93.320 56.394 49.029 568 1HB ARG 24 1HB ARG 24 94.193 58.221 47.371 569 2HB ARG 24 2HB ARG 24 94.592 56.848 46.337 570 1HG ARG 24 1HG ARG 24 92.435 57.156 45.622 571 2HG ARG 24 2HG ARG 24 92.081 56.152 47.028 572 1HD ARG 24 1HD ARG 24 91.446 58.010 48.349 573 2HD ARG 24 2HD ARG 24 92.256 59.162 47.268 574 HE ARG 24 HE ARG 24 89.778 57.647 46.546 575 1HH1 ARG 24 1HH2 ARG 24 89.640 60.583 47.148 576 2HH1 ARG 24 2HH2 ARG 24 89.721 61.279 45.565 577 1HH2 ARG 24 1HH1 ARG 24 90.914 58.388 44.065 578 2HH2 ARG 24 2HH1 ARG 24 90.446 60.038 43.820 579 H GLN 25 H GLN 25 95.822 55.381 46.661 580 HA GLN 25 HA GLN 25 94.677 52.711 46.450 581 1HB GLN 25 1HB GLN 25 96.542 52.397 44.885 582 2HB GLN 25 2HB GLN 25 95.795 53.972 44.614 583 1HG GLN 25 1HG GLN 25 97.632 54.712 46.424 584 2HG GLN 25 2HG GLN 25 98.471 53.312 45.751 585 1HE2 GLN 25 2HE2 GLN 25 96.426 55.931 44.320 586 2HE2 GLN 25 1HE2 GLN 25 97.534 56.320 43.095 587 H GLN 26 H GLN 26 97.310 54.180 48.272 588 HA GLN 26 HA GLN 26 98.775 53.257 49.886 589 1HB GLN 26 1HB GLN 26 96.117 52.102 50.087 590 2HB GLN 26 2HB GLN 26 97.339 50.966 50.661 591 1HG GLN 26 1HG GLN 26 98.293 52.798 52.082 592 2HG GLN 26 2HG GLN 26 96.945 53.823 51.593 593 1HE2 GLN 26 2HE2 GLN 26 96.554 53.721 54.080 594 2HE2 GLN 26 1HE2 GLN 26 95.602 52.436 54.651 595 HA PRO 27 HA PRO 27 100.178 50.056 46.832 596 1HB PRO 27 1HB PRO 27 102.673 51.112 46.443 597 2HB PRO 27 2HB PRO 27 101.252 51.609 45.501 598 1HG PRO 27 1HG PRO 27 102.564 52.960 47.805 599 2HG PRO 27 2HG PRO 27 101.852 53.658 46.343 600 1HD PRO 27 1HD PRO 27 100.597 53.635 48.763 601 2HD PRO 27 2HD PRO 27 99.735 53.648 47.209 602 HA PRO 28 HA PRO 28 102.368 47.843 49.950 603 1HB PRO 28 1HB PRO 28 103.832 46.093 48.435 604 2HB PRO 28 2HB PRO 28 102.081 45.933 48.677 605 1HG PRO 28 1HG PRO 28 103.576 47.047 46.355 606 2HG PRO 28 2HG PRO 28 102.124 46.035 46.382 607 1HD PRO 28 1HD PRO 28 102.054 48.720 45.965 608 2HD PRO 28 2HD PRO 28 100.725 47.818 46.725 609 H ASP 29 H ASP 29 104.247 49.157 47.245 610 HA ASP 29 HA ASP 29 106.527 49.604 49.147 611 1HB ASP 29 1HB ASP 29 106.577 48.880 46.198 612 2HB ASP 29 2HB ASP 29 107.998 49.166 47.203 613 H LEU 30 H LEU 30 106.672 51.793 49.458 614 HA LEU 30 HA LEU 30 105.537 53.731 47.610 615 1HB LEU 30 1HB LEU 30 105.676 53.984 50.081 616 2HB LEU 30 2HB LEU 30 107.435 54.030 49.964 617 HG LEU 30 HG LEU 30 106.998 55.972 48.254 618 1HD1 LEU 30 1HD1 LEU 30 104.412 55.806 49.816 619 2HD1 LEU 30 2HD1 LEU 30 104.942 57.274 48.996 620 3HD1 LEU 30 3HD1 LEU 30 104.613 55.813 48.064 621 1HD2 LEU 30 1HD2 LEU 30 107.088 55.908 51.209 622 2HD2 LEU 30 2HD2 LEU 30 108.101 56.798 50.073 623 3HD2 LEU 30 3HD2 LEU 30 106.514 57.426 50.518 624 H VAL 31 H VAL 31 108.866 52.765 48.491 625 HA VAL 31 HA VAL 31 110.364 54.573 46.955 626 HB VAL 31 HB VAL 31 110.805 51.587 47.310 627 1HG1 VAL 31 1HG1 VAL 31 112.413 53.794 46.231 628 2HG1 VAL 31 2HG1 VAL 31 113.232 52.909 47.517 629 3HG1 VAL 31 3HG1 VAL 31 112.656 52.053 46.086 630 1HG2 VAL 31 1HG2 VAL 31 110.964 53.923 49.158 631 2HG2 VAL 31 2HG2 VAL 31 110.595 52.234 49.512 632 3HG2 VAL 31 3HG2 VAL 31 112.267 52.739 49.263 633 H ASP 32 H ASP 32 109.417 51.297 45.883 634 HA ASP 32 HA ASP 32 110.104 51.609 43.148 635 1HB ASP 32 1HB ASP 32 109.234 49.642 44.803 636 2HB ASP 32 2HB ASP 32 107.755 49.947 43.888 637 H PHE 33 H PHE 33 107.084 52.333 44.892 638 HA PHE 33 HA PHE 33 105.457 52.933 42.616 639 1HB PHE 33 1HB PHE 33 104.594 52.570 44.882 640 2HB PHE 33 2HB PHE 33 105.462 53.991 45.462 641 HD1 PHE 33 HD1 PHE 33 103.366 53.310 42.409 642 HD2 PHE 33 HD2 PHE 33 103.965 55.739 45.929 643 HE1 PHE 33 HE1 PHE 33 101.451 54.758 41.738 644 HE2 PHE 33 HE2 PHE 33 102.051 57.185 45.255 645 HZ PHE 33 HZ PHE 33 100.794 56.694 43.160 646 H ALA 34 H ALA 34 107.329 55.101 44.763 647 HA ALA 34 HA ALA 34 106.849 57.554 43.475 648 1HB ALA 34 1HB ALA 34 108.708 56.361 45.346 649 2HB ALA 34 2HB ALA 34 109.558 57.490 44.291 650 3HB ALA 34 3HB ALA 34 108.177 58.041 45.240 651 H VAL 35 H VAL 35 109.160 54.985 42.628 652 HA VAL 35 HA VAL 35 110.479 56.490 40.532 653 HB VAL 35 HB VAL 35 110.247 53.537 41.194 654 1HG1 VAL 35 1HG1 VAL 35 111.645 55.022 39.059 655 2HG1 VAL 35 2HG1 VAL 35 112.637 53.855 39.931 656 3HG1 VAL 35 3HG1 VAL 35 111.161 53.329 39.123 657 1HG2 VAL 35 1HG2 VAL 35 111.237 55.098 42.933 658 2HG2 VAL 35 2HG2 VAL 35 112.331 53.835 42.367 659 3HG2 VAL 35 3HG2 VAL 35 112.500 55.484 41.763 660 H GLU 36 H GLU 36 108.098 53.804 40.492 661 HA GLU 36 HA GLU 36 107.698 53.735 37.674 662 1HB GLU 36 1HB GLU 36 105.820 53.121 39.982 663 2HB GLU 36 2HB GLU 36 105.614 52.549 38.326 664 1HG GLU 36 1HG GLU 36 108.291 51.988 39.340 665 2HG GLU 36 2HG GLU 36 107.040 51.251 40.342 666 H TYR 37 H TYR 37 106.355 55.845 40.163 667 HA TYR 37 HA TYR 37 104.249 56.940 38.457 668 1HB TYR 37 1HB TYR 37 104.161 56.800 40.939 669 2HB TYR 37 2HB TYR 37 105.512 57.930 41.035 670 HD1 TYR 37 HD1 TYR 37 101.955 57.539 40.026 671 HD2 TYR 37 HD2 TYR 37 105.218 60.299 40.638 672 HE1 TYR 37 HE1 TYR 37 100.369 59.454 39.847 673 HE2 TYR 37 HE2 TYR 37 103.634 62.214 40.459 674 HH TYR 37 HH TYR 37 101.445 62.801 40.403 675 H PHE 38 H PHE 38 107.030 58.602 39.991 676 HA PHE 38 HA PHE 38 107.050 60.897 38.377 677 1HB PHE 38 1HB PHE 38 109.168 59.303 39.820 678 2HB PHE 38 2HB PHE 38 109.578 60.799 38.981 679 HD1 PHE 38 HD1 PHE 38 107.421 62.618 39.409 680 HD2 PHE 38 HD2 PHE 38 109.003 59.664 42.132 681 HE1 PHE 38 HE1 PHE 38 106.568 63.941 41.342 682 HE2 PHE 38 HE2 PHE 38 108.148 60.986 44.064 683 HZ PHE 38 HZ PHE 38 106.932 63.126 43.669 684 H THR 39 H THR 39 108.754 57.799 37.804 685 HA THR 39 HA THR 39 110.153 58.483 35.450 686 HB THR 39 HB THR 39 108.790 55.916 36.331 687 HG1 THR 39 HG1 THR 39 110.790 55.461 37.168 688 1HG2 THR 39 1HG2 THR 39 109.293 55.937 33.888 689 2HG2 THR 39 2HG2 THR 39 110.978 56.292 34.267 690 3HG2 THR 39 3HG2 THR 39 110.265 54.760 34.771 691 H ARG 40 H ARG 40 106.804 57.280 35.807 692 HA ARG 40 HA ARG 40 106.223 57.324 32.967 693 1HB ARG 40 1HB ARG 40 104.773 57.012 35.565 694 2HB ARG 40 2HB ARG 40 103.811 57.375 34.131 695 1HG ARG 40 1HG ARG 40 105.450 55.437 33.148 696 2HG ARG 40 2HG ARG 40 105.304 54.916 34.828 697 1HD ARG 40 1HD ARG 40 102.703 55.523 34.293 698 2HD ARG 40 2HD ARG 40 103.245 54.972 32.695 699 HE ARG 40 HE ARG 40 103.579 53.360 35.199 700 1HH1 ARG 40 1HH2 ARG 40 101.391 52.786 33.152 701 2HH1 ARG 40 2HH2 ARG 40 102.116 51.505 32.238 702 1HH2 ARG 40 1HH1 ARG 40 105.314 52.102 33.438 703 2HH2 ARG 40 2HH1 ARG 40 104.337 51.118 32.400 704 H LEU 41 H LEU 41 106.097 59.686 35.559 705 HA LEU 41 HA LEU 41 104.311 61.589 34.390 706 1HB LEU 41 1HB LEU 41 105.430 61.352 36.751 707 2HB LEU 41 2HB LEU 41 106.729 62.307 36.036 708 HG LEU 41 HG LEU 41 104.901 63.949 35.296 709 1HD1 LEU 41 1HD1 LEU 41 103.045 62.292 35.734 710 2HD1 LEU 41 2HD1 LEU 41 103.344 62.506 37.458 711 3HD1 LEU 41 3HD1 LEU 41 102.798 63.870 36.481 712 1HD2 LEU 41 1HD2 LEU 41 105.906 63.451 38.062 713 2HD2 LEU 41 2HD2 LEU 41 106.166 64.840 37.006 714 3HD2 LEU 41 3HD2 LEU 41 104.639 64.663 37.871 715 H ARG 42 H ARG 42 107.664 60.797 33.739 716 HA ARG 42 HA ARG 42 108.335 63.252 32.351 717 1HB ARG 42 1HB ARG 42 110.033 61.882 33.370 718 2HB ARG 42 2HB ARG 42 109.467 60.445 32.523 719 1HG ARG 42 1HG ARG 42 110.740 60.918 30.740 720 2HG ARG 42 2HG ARG 42 110.081 62.548 30.641 721 1HD ARG 42 1HD ARG 42 111.673 62.993 32.713 722 2HD ARG 42 2HD ARG 42 112.548 61.592 32.061 723 HE ARG 42 HE ARG 42 112.066 63.118 29.817 724 1HH1 ARG 42 1HH1 ARG 42 112.086 65.350 31.967 725 2HH1 ARG 42 2HH1 ARG 42 113.729 65.884 31.842 726 1HH2 ARG 42 1HH2 ARG 42 114.776 63.101 30.058 727 2HH2 ARG 42 2HH2 ARG 42 115.251 64.609 30.762 728 H GLU 43 H GLU 43 106.811 60.209 31.484 729 HA GLU 43 HA GLU 43 106.932 60.917 28.584 730 1HB GLU 43 1HB GLU 43 106.698 58.465 30.247 731 2HB GLU 43 2HB GLU 43 105.815 58.449 28.720 732 1HG GLU 43 1HG GLU 43 108.068 59.384 27.734 733 2HG GLU 43 2HG GLU 43 108.772 58.680 29.190 734 H ALA 44 H ALA 44 105.006 61.840 30.967 735 HA ALA 44 HA ALA 44 102.403 61.104 29.716 736 1HB ALA 44 1HB ALA 44 103.406 61.575 32.347 737 2HB ALA 44 2HB ALA 44 102.205 62.825 32.004 738 3HB ALA 44 3HB ALA 44 101.765 61.119 31.883 739 H ARG 45 H ARG 45 103.614 64.086 31.251 740 HA ARG 45 HA ARG 45 101.980 65.933 29.984 741 1HB ARG 45 1HB ARG 45 104.597 65.863 31.311 742 2HB ARG 45 2HB ARG 45 104.425 67.217 30.195 743 1HG ARG 45 1HG ARG 45 102.356 66.522 32.294 744 2HG ARG 45 2HG ARG 45 103.645 67.698 32.553 745 1HD ARG 45 1HD ARG 45 102.703 68.640 30.210 746 2HD ARG 45 2HD ARG 45 101.212 67.913 30.845 747 HE ARG 45 HE ARG 45 102.779 69.578 32.728 748 1HH1 ARG 45 1HH1 ARG 45 99.891 68.821 33.117 749 2HH1 ARG 45 2HH1 ARG 45 99.078 70.287 32.684 750 1HH2 ARG 45 1HH2 ARG 45 101.829 71.650 31.073 751 2HH2 ARG 45 2HH2 ARG 45 100.175 71.890 31.527 752 H ARG 46 H ARG 46 105.259 65.025 28.881 753 HA ARG 46 HA ARG 46 105.167 66.454 26.404 754 1HB ARG 46 1HB ARG 46 107.080 65.304 27.802 755 2HB ARG 46 2HB ARG 46 106.693 63.893 26.816 756 1HG ARG 46 1HG ARG 46 107.442 64.874 24.870 757 2HG ARG 46 2HG ARG 46 107.030 66.502 25.408 758 1HD ARG 46 1HD ARG 46 109.057 66.811 26.444 759 2HD ARG 46 2HD ARG 46 109.161 65.117 26.962 760 HE ARG 46 HE ARG 46 110.257 64.630 24.926 761 1HH1 ARG 46 1HH2 ARG 46 110.914 67.628 24.860 762 2HH1 ARG 46 2HH2 ARG 46 110.444 68.026 23.240 763 1HH2 ARG 46 1HH1 ARG 46 108.606 65.121 22.780 764 2HH2 ARG 46 2HH1 ARG 46 109.135 66.607 22.064 Start of MODEL 12 1 1H HIS 1 1H HIS 1 93.306 71.845 70.280 2 2H HIS 1 2H HIS 1 92.146 72.974 69.763 3 3H HIS 1 3H HIS 1 91.654 71.499 70.446 4 HA HIS 1 HA HIS 1 91.350 71.169 68.161 5 1HB HIS 1 1HB HIS 1 93.890 72.791 68.104 6 2HB HIS 1 2HB HIS 1 93.394 71.865 66.688 7 HD1 HIS 1 HD1 HIS 1 90.414 72.886 68.410 8 HD2 HIS 1 HD2 HIS 1 93.041 74.755 65.767 9 HE1 HIS 1 HE1 HIS 1 89.179 74.885 67.465 10 H MET 2 H MET 2 91.480 68.941 68.514 11 HA MET 2 HA MET 2 94.054 67.637 67.934 12 1HB MET 2 1HB MET 2 93.422 68.304 70.554 13 2HB MET 2 2HB MET 2 92.910 66.619 70.436 14 1HG MET 2 1HG MET 2 95.110 65.955 69.638 15 2HG MET 2 2HG MET 2 95.634 67.638 69.580 16 1HE MET 2 1HE MET 2 97.600 66.179 70.874 17 2HE MET 2 2HE MET 2 97.451 65.632 72.542 18 3HE MET 2 3HE MET 2 96.595 64.781 71.249 19 H GLY 3 H GLY 3 93.057 66.469 66.256 20 1HA GLY 3 1HA GLY 3 90.713 64.778 67.022 21 2HA GLY 3 2HA GLY 3 91.043 65.314 65.373 22 H HIS 4 H HIS 4 91.486 63.440 64.274 23 HA HIS 4 HA HIS 4 93.684 61.716 65.369 24 1HB HIS 4 1HB HIS 4 90.931 61.097 64.376 25 2HB HIS 4 2HB HIS 4 92.209 59.932 64.027 26 HD1 HIS 4 HD1 HIS 4 92.994 58.462 65.927 27 HD2 HIS 4 HD2 HIS 4 90.576 61.591 67.245 28 HE1 HIS 4 HE1 HIS 4 92.540 58.031 68.381 29 H ILE 5 H ILE 5 95.010 60.717 63.719 30 HA ILE 5 HA ILE 5 94.692 61.910 60.982 31 HB ILE 5 HB ILE 5 97.214 61.357 62.582 32 1HG1 ILE 5 1HG1 ILE 5 97.272 63.986 62.271 33 2HG1 ILE 5 2HG1 ILE 5 95.525 63.794 62.120 34 1HG2 ILE 5 1HG2 ILE 5 97.320 61.170 60.034 35 2HG2 ILE 5 2HG2 ILE 5 96.927 62.888 59.988 36 3HG2 ILE 5 3HG2 ILE 5 98.414 62.345 60.766 37 1HD1 ILE 5 1HD1 ILE 5 96.442 62.202 64.325 38 2HD1 ILE 5 2HD1 ILE 5 97.065 63.841 64.508 39 3HD1 ILE 5 3HD1 ILE 5 95.330 63.570 64.347 40 H GLN 6 H GLN 6 95.277 60.514 59.239 41 HA GLN 6 HA GLN 6 95.707 57.642 60.004 42 1HB GLN 6 1HB GLN 6 93.444 58.454 59.058 43 2HB GLN 6 2HB GLN 6 94.301 58.657 57.529 44 1HG GLN 6 1HG GLN 6 94.977 56.290 57.582 45 2HG GLN 6 2HG GLN 6 94.143 56.080 59.121 46 1HE2 GLN 6 2HE2 GLN 6 92.112 55.158 58.851 47 2HE2 GLN 6 1HE2 GLN 6 91.098 55.398 57.511 48 H ILE 7 H ILE 7 97.945 59.272 59.598 49 HA ILE 7 HA ILE 7 98.831 58.583 56.819 50 HB ILE 7 HB ILE 7 99.784 60.681 58.796 51 1HG1 ILE 7 1HG1 ILE 7 97.544 61.131 57.848 52 2HG1 ILE 7 2HG1 ILE 7 98.738 62.265 57.214 53 1HG2 ILE 7 1HG2 ILE 7 100.748 59.769 56.114 54 2HG2 ILE 7 2HG2 ILE 7 100.818 61.492 56.482 55 3HG2 ILE 7 3HG2 ILE 7 101.674 60.336 57.503 56 1HD1 ILE 7 1HD1 ILE 7 98.881 60.139 55.438 57 2HD1 ILE 7 2HD1 ILE 7 97.158 60.248 55.799 58 3HD1 ILE 7 3HD1 ILE 7 98.017 61.650 55.160 59 HA PRO 8 HA PRO 8 101.465 55.719 59.040 60 1HB PRO 8 1HB PRO 8 102.795 54.735 56.866 61 2HB PRO 8 2HB PRO 8 101.153 54.227 57.306 62 1HG PRO 8 1HG PRO 8 102.042 56.167 55.238 63 2HG PRO 8 2HG PRO 8 100.735 54.977 55.181 64 1HD PRO 8 1HD PRO 8 100.328 57.636 55.613 65 2HD PRO 8 2HD PRO 8 99.248 56.366 56.228 66 HA PRO 9 HA PRO 9 105.046 58.339 59.291 67 1HB PRO 9 1HB PRO 9 106.583 56.761 60.914 68 2HB PRO 9 2HB PRO 9 105.204 57.706 61.510 69 1HG PRO 9 1HG PRO 9 105.379 54.805 60.884 70 2HG PRO 9 2HG PRO 9 104.515 55.629 62.190 71 1HD PRO 9 1HD PRO 9 103.309 54.688 59.924 72 2HD PRO 9 2HD PRO 9 102.682 56.040 60.892 73 H GLY 10 H GLY 10 107.531 58.032 58.955 74 1HA GLY 10 1HA GLY 10 109.344 56.854 57.883 75 2HA GLY 10 2HA GLY 10 108.171 55.731 57.194 76 H LEU 11 H LEU 11 106.358 57.790 56.232 77 HA LEU 11 HA LEU 11 107.637 58.354 53.681 78 1HB LEU 11 1HB LEU 11 105.246 57.790 53.973 79 2HB LEU 11 2HB LEU 11 105.014 59.264 54.912 80 HG LEU 11 HG LEU 11 106.246 59.525 52.206 81 1HD1 LEU 11 1HD1 LEU 11 103.973 58.018 52.403 82 2HD1 LEU 11 2HD1 LEU 11 103.293 59.639 52.257 83 3HD1 LEU 11 3HD1 LEU 11 104.374 59.020 51.009 84 1HD2 LEU 11 1HD2 LEU 11 104.607 61.128 54.127 85 2HD2 LEU 11 2HD2 LEU 11 106.033 61.603 53.204 86 3HD2 LEU 11 3HD2 LEU 11 104.462 61.503 52.409 87 H THR 12 H THR 12 106.903 60.205 56.604 88 HA THR 12 HA THR 12 107.329 62.837 55.575 89 HB THR 12 HB THR 12 107.873 61.674 58.326 90 HG1 THR 12 HG1 THR 12 105.800 61.549 58.483 91 1HG2 THR 12 1HG2 THR 12 107.358 64.489 57.341 92 2HG2 THR 12 2HG2 THR 12 107.267 64.022 59.038 93 3HG2 THR 12 3HG2 THR 12 108.796 63.892 58.169 94 H GLU 13 H GLU 13 109.586 60.610 57.229 95 HA GLU 13 HA GLU 13 111.909 62.208 57.169 96 1HB GLU 13 1HB GLU 13 111.603 60.042 58.343 97 2HB GLU 13 2HB GLU 13 111.607 59.209 56.788 98 1HG GLU 13 1HG GLU 13 113.888 59.940 56.349 99 2HG GLU 13 2HG GLU 13 113.893 60.913 57.820 100 H LEU 14 H LEU 14 110.819 59.823 54.721 101 HA LEU 14 HA LEU 14 112.937 60.298 52.858 102 1HB LEU 14 1HB LEU 14 110.600 58.719 53.135 103 2HB LEU 14 2HB LEU 14 110.441 59.573 51.600 104 HG LEU 14 HG LEU 14 112.813 58.844 51.069 105 1HD1 LEU 14 1HD1 LEU 14 112.300 57.207 53.564 106 2HD1 LEU 14 2HD1 LEU 14 113.537 56.787 52.380 107 3HD1 LEU 14 3HD1 LEU 14 113.639 58.313 53.260 108 1HD2 LEU 14 1HD2 LEU 14 110.516 57.660 50.468 109 2HD2 LEU 14 2HD2 LEU 14 112.049 56.872 50.098 110 3HD2 LEU 14 3HD2 LEU 14 111.139 56.399 51.531 111 H LEU 15 H LEU 15 109.586 61.585 52.932 112 HA LEU 15 HA LEU 15 109.748 63.250 50.653 113 1HB LEU 15 1HB LEU 15 108.116 62.919 53.064 114 2HB LEU 15 2HB LEU 15 108.147 64.589 52.496 115 HG LEU 15 HG LEU 15 106.309 63.337 51.431 116 1HD1 LEU 15 1HD1 LEU 15 108.043 65.016 50.208 117 2HD1 LEU 15 2HD1 LEU 15 108.241 63.591 49.188 118 3HD1 LEU 15 3HD1 LEU 15 106.647 64.318 49.388 119 1HD2 LEU 15 1HD2 LEU 15 107.463 61.105 51.561 120 2HD2 LEU 15 2HD2 LEU 15 106.768 61.443 49.976 121 3HD2 LEU 15 3HD2 LEU 15 108.504 61.617 50.233 122 H GLN 16 H GLN 16 110.354 64.157 54.078 123 HA GLN 16 HA GLN 16 111.143 66.831 53.691 124 1HB GLN 16 1HB GLN 16 111.051 64.959 55.737 125 2HB GLN 16 2HB GLN 16 112.773 65.323 55.616 126 1HG GLN 16 1HG GLN 16 111.951 67.819 55.521 127 2HG GLN 16 2HG GLN 16 110.493 67.166 56.268 128 1HE2 GLN 16 2HE2 GLN 16 111.308 65.352 58.094 129 2HE2 GLN 16 1HE2 GLN 16 112.415 66.012 59.199 130 H GLY 17 H GLY 17 112.979 63.845 53.173 131 1HA GLY 17 1HA GLY 17 115.570 64.964 52.873 132 2HA GLY 17 2HA GLY 17 115.021 63.491 52.069 133 H TYR 18 H TYR 18 113.155 64.217 50.328 134 HA TYR 18 HA TYR 18 114.438 65.308 48.098 135 1HB TYR 18 1HB TYR 18 112.032 64.211 48.674 136 2HB TYR 18 2HB TYR 18 111.544 65.895 48.476 137 HD1 TYR 18 HD1 TYR 18 114.156 63.782 46.795 138 HD2 TYR 18 HD2 TYR 18 110.613 66.203 46.349 139 HE1 TYR 18 HE1 TYR 18 114.297 63.529 44.316 140 HE2 TYR 18 HE2 TYR 18 110.748 65.953 43.874 141 HH TYR 18 HH TYR 18 112.446 65.448 42.164 142 H THR 19 H THR 19 112.397 67.022 50.477 143 HA THR 19 HA THR 19 112.478 69.604 49.298 144 HB THR 19 HB THR 19 112.401 68.751 52.213 145 HG1 THR 19 HG1 THR 19 110.490 68.071 51.750 146 1HG2 THR 19 1HG2 THR 19 112.735 71.271 51.420 147 2HG2 THR 19 2HG2 THR 19 110.996 71.160 51.148 148 3HG2 THR 19 3HG2 THR 19 111.658 70.865 52.756 149 H VAL 20 H VAL 20 114.772 67.951 51.446 150 HA VAL 20 HA VAL 20 116.468 70.287 51.843 151 HB VAL 20 HB VAL 20 116.870 67.306 52.243 152 1HG1 VAL 20 1HG1 VAL 20 118.974 68.742 52.081 153 2HG1 VAL 20 2HG1 VAL 20 118.406 69.574 53.529 154 3HG1 VAL 20 3HG1 VAL 20 118.772 67.849 53.589 155 1HG2 VAL 20 1HG2 VAL 20 115.135 69.042 53.528 156 2HG2 VAL 20 2HG2 VAL 20 115.753 67.535 54.204 157 3HG2 VAL 20 3HG2 VAL 20 116.554 69.061 54.574 158 H GLU 21 H GLU 21 116.288 67.681 49.486 159 HA GLU 21 HA GLU 21 118.980 68.232 48.406 160 1HB GLU 21 1HB GLU 21 116.927 66.658 46.895 161 2HB GLU 21 2HB GLU 21 118.638 66.320 47.126 162 1HG GLU 21 1HG GLU 21 117.680 66.087 49.687 163 2HG GLU 21 2HG GLU 21 116.319 65.491 48.735 164 H VAL 22 H VAL 22 115.740 68.201 46.934 165 HA VAL 22 HA VAL 22 116.280 69.659 44.611 166 HB VAL 22 HB VAL 22 113.807 69.786 46.369 167 1HG1 VAL 22 1HG1 VAL 22 114.288 71.209 44.121 168 2HG1 VAL 22 2HG1 VAL 22 113.668 69.718 43.410 169 3HG1 VAL 22 3HG1 VAL 22 112.686 70.620 44.564 170 1HG2 VAL 22 1HG2 VAL 22 115.062 67.603 44.877 171 2HG2 VAL 22 2HG2 VAL 22 113.749 67.543 46.053 172 3HG2 VAL 22 3HG2 VAL 22 113.403 67.905 44.362 173 H LEU 23 H LEU 23 115.982 70.834 47.904 174 HA LEU 23 HA LEU 23 115.776 73.658 47.060 175 1HB LEU 23 1HB LEU 23 114.574 72.758 49.025 176 2HB LEU 23 2HB LEU 23 116.113 72.314 49.763 177 HG LEU 23 HG LEU 23 116.754 74.795 49.498 178 1HD1 LEU 23 1HD1 LEU 23 114.631 75.074 47.972 179 2HD1 LEU 23 2HD1 LEU 23 113.787 75.261 49.508 180 3HD1 LEU 23 3HD1 LEU 23 115.085 76.373 49.074 181 1HD2 LEU 23 1HD2 LEU 23 115.921 73.493 51.607 182 2HD2 LEU 23 2HD2 LEU 23 115.939 75.256 51.654 183 3HD2 LEU 23 3HD2 LEU 23 114.426 74.397 51.367 184 H ARG 24 H ARG 24 118.232 71.362 48.075 185 HA ARG 24 HA ARG 24 120.239 73.457 48.608 186 1HB ARG 24 1HB ARG 24 120.027 71.279 49.850 187 2HB ARG 24 2HB ARG 24 120.509 70.445 48.374 188 1HG ARG 24 1HG ARG 24 122.657 70.766 48.963 189 2HG ARG 24 2HG ARG 24 122.406 72.498 48.742 190 1HD ARG 24 1HD ARG 24 121.546 72.611 51.114 191 2HD ARG 24 2HD ARG 24 122.037 70.916 51.309 192 HE ARG 24 HE ARG 24 124.300 72.074 50.262 193 1HH1 ARG 24 1HH1 ARG 24 122.731 74.407 51.786 194 2HH1 ARG 24 2HH1 ARG 24 123.712 74.485 53.212 195 1HH2 ARG 24 1HH2 ARG 24 125.346 71.494 52.576 196 2HH2 ARG 24 2HH2 ARG 24 125.191 72.837 53.659 197 H GLN 25 H GLN 25 120.009 70.715 46.286 198 HA GLN 25 HA GLN 25 122.095 71.928 44.604 199 1HB GLN 25 1HB GLN 25 121.766 69.846 43.301 200 2HB GLN 25 2HB GLN 25 121.959 69.501 45.019 201 1HG GLN 25 1HG GLN 25 119.653 69.071 45.310 202 2HG GLN 25 2HG GLN 25 119.228 69.859 43.793 203 1HE2 GLN 25 2HE2 GLN 25 120.451 68.740 41.794 204 2HE2 GLN 25 1HE2 GLN 25 120.409 67.044 41.799 205 H GLN 26 H GLN 26 118.591 71.688 44.645 206 HA GLN 26 HA GLN 26 116.954 72.503 43.137 207 1HB GLN 26 1HB GLN 26 118.960 74.420 43.761 208 2HB GLN 26 2HB GLN 26 118.552 74.641 42.058 209 1HG GLN 26 1HG GLN 26 116.126 74.657 42.706 210 2HG GLN 26 2HG GLN 26 116.625 74.628 44.397 211 1HE2 GLN 26 2HE2 GLN 26 116.954 76.648 45.344 212 2HE2 GLN 26 1HE2 GLN 26 117.211 78.091 44.487 213 HA PRO 27 HA PRO 27 119.044 70.591 39.475 214 1HB PRO 27 1HB PRO 27 117.047 68.801 38.931 215 2HB PRO 27 2HB PRO 27 118.367 68.462 40.070 216 1HG PRO 27 1HG PRO 27 115.567 69.314 40.618 217 2HG PRO 27 2HG PRO 27 116.583 68.151 41.484 218 1HD PRO 27 1HD PRO 27 116.143 70.689 42.358 219 2HD PRO 27 2HD PRO 27 117.626 69.776 42.712 220 HA PRO 28 HA PRO 28 116.682 72.933 36.589 221 1HB PRO 28 1HB PRO 28 117.082 71.551 34.259 222 2HB PRO 28 2HB PRO 28 118.340 72.544 35.022 223 1HG PRO 28 1HG PRO 28 117.958 69.591 35.095 224 2HG PRO 28 2HG PRO 28 119.451 70.534 34.963 225 1HD PRO 28 1HD PRO 28 118.614 69.393 37.284 226 2HD PRO 28 2HD PRO 28 119.593 70.873 37.225 227 H ASP 29 H ASP 29 116.160 69.420 36.537 228 HA ASP 29 HA ASP 29 113.254 69.939 36.004 229 1HB ASP 29 1HB ASP 29 115.050 67.733 34.942 230 2HB ASP 29 2HB ASP 29 113.316 67.855 34.644 231 H LEU 30 H LEU 30 112.230 69.385 37.886 232 HA LEU 30 HA LEU 30 113.326 67.648 39.900 233 1HB LEU 30 1HB LEU 30 111.697 69.460 40.291 234 2HB LEU 30 2HB LEU 30 110.495 68.595 39.333 235 HG LEU 30 HG LEU 30 111.144 66.642 41.076 236 1HD1 LEU 30 1HD1 LEU 30 112.417 68.938 42.133 237 2HD1 LEU 30 2HD1 LEU 30 111.006 68.643 43.150 238 3HD1 LEU 30 3HD1 LEU 30 112.209 67.373 42.919 239 1HD2 LEU 30 1HD2 LEU 30 109.207 68.918 41.615 240 2HD2 LEU 30 2HD2 LEU 30 108.878 67.511 40.604 241 3HD2 LEU 30 3HD2 LEU 30 109.126 67.312 42.338 242 H VAL 31 H VAL 31 111.018 67.119 37.242 243 HA VAL 31 HA VAL 31 109.994 64.587 37.887 244 HB VAL 31 HB VAL 31 110.956 65.600 35.191 245 1HG1 VAL 31 1HG1 VAL 31 110.266 63.181 35.334 246 2HG1 VAL 31 2HG1 VAL 31 108.676 63.719 35.878 247 3HG1 VAL 31 3HG1 VAL 31 109.250 64.147 34.265 248 1HG2 VAL 31 1HG2 VAL 31 108.651 66.305 36.955 249 2HG2 VAL 31 2HG2 VAL 31 109.542 67.315 35.816 250 3HG2 VAL 31 3HG2 VAL 31 108.331 66.177 35.225 251 H ASP 32 H ASP 32 112.760 65.075 35.678 252 HA ASP 32 HA ASP 32 113.696 62.419 35.646 253 1HB ASP 32 1HB ASP 32 114.357 64.884 34.589 254 2HB ASP 32 2HB ASP 32 115.755 64.522 35.606 255 H PHE 33 H PHE 33 114.497 65.072 37.895 256 HA PHE 33 HA PHE 33 116.530 63.736 39.382 257 1HB PHE 33 1HB PHE 33 115.954 66.158 39.460 258 2HB PHE 33 2HB PHE 33 114.444 65.754 40.280 259 HD1 PHE 33 HD1 PHE 33 118.136 65.055 40.570 260 HD2 PHE 33 HD2 PHE 33 114.412 65.807 42.620 261 HE1 PHE 33 HE1 PHE 33 119.331 65.005 42.756 262 HE2 PHE 33 HE2 PHE 33 115.607 65.751 44.808 263 HZ PHE 33 HZ PHE 33 118.066 65.353 44.876 264 H ALA 34 H ALA 34 112.998 63.921 39.924 265 HA ALA 34 HA ALA 34 112.858 62.372 42.295 266 1HB ALA 34 1HB ALA 34 111.140 63.707 40.660 267 2HB ALA 34 2HB ALA 34 110.733 62.043 40.246 268 3HB ALA 34 3HB ALA 34 110.605 62.591 41.916 269 H VAL 35 H VAL 35 112.718 61.323 38.871 270 HA VAL 35 HA VAL 35 112.390 58.522 39.464 271 HB VAL 35 HB VAL 35 113.431 60.060 37.063 272 1HG1 VAL 35 1HG1 VAL 35 112.832 57.166 37.538 273 2HG1 VAL 35 2HG1 VAL 35 112.474 57.858 35.957 274 3HG1 VAL 35 3HG1 VAL 35 114.120 57.899 36.586 275 1HG2 VAL 35 1HG2 VAL 35 111.125 60.632 37.756 276 2HG2 VAL 35 2HG2 VAL 35 111.129 59.758 36.223 277 3HG2 VAL 35 3HG2 VAL 35 110.693 58.923 37.714 278 H GLU 36 H GLU 36 115.193 60.632 38.956 279 HA GLU 36 HA GLU 36 117.118 58.438 38.921 280 1HB GLU 36 1HB GLU 36 117.692 60.345 37.669 281 2HB GLU 36 2HB GLU 36 117.096 61.451 38.902 282 1HG GLU 36 1HG GLU 36 119.092 61.522 39.942 283 2HG GLU 36 2HG GLU 36 119.283 59.771 39.872 284 H TYR 37 H TYR 37 115.686 60.572 41.329 285 HA TYR 37 HA TYR 37 117.674 60.050 43.397 286 1HB TYR 37 1HB TYR 37 116.338 62.088 43.356 287 2HB TYR 37 2HB TYR 37 114.845 61.151 43.403 288 HD1 TYR 37 HD1 TYR 37 118.046 60.727 45.325 289 HD2 TYR 37 HD2 TYR 37 113.825 61.619 45.481 290 HE1 TYR 37 HE1 TYR 37 118.133 60.702 47.817 291 HE2 TYR 37 HE2 TYR 37 113.911 61.593 47.973 292 HH TYR 37 HH TYR 37 116.478 60.305 49.715 293 H PHE 38 H PHE 38 114.186 59.245 43.406 294 HA PHE 38 HA PHE 38 114.245 57.291 45.413 295 1HB PHE 38 1HB PHE 38 112.561 57.756 42.955 296 2HB PHE 38 2HB PHE 38 112.202 56.422 44.052 297 HD1 PHE 38 HD1 PHE 38 112.690 57.369 46.699 298 HD2 PHE 38 HD2 PHE 38 111.092 59.548 43.331 299 HE1 PHE 38 HE1 PHE 38 111.556 58.949 48.259 300 HE2 PHE 38 HE2 PHE 38 109.958 61.126 44.891 301 HZ PHE 38 HZ PHE 38 110.190 60.827 47.355 302 H THR 39 H THR 39 114.523 56.716 41.871 303 HA THR 39 HA THR 39 114.833 53.917 41.919 304 HB THR 39 HB THR 39 116.135 56.042 40.185 305 HG1 THR 39 HG1 THR 39 113.906 56.101 40.113 306 1HG2 THR 39 1HG2 THR 39 116.626 53.252 40.273 307 2HG2 THR 39 2HG2 THR 39 115.631 53.548 38.847 308 3HG2 THR 39 3HG2 THR 39 117.161 54.401 39.047 309 H ARG 40 H ARG 40 117.277 56.453 42.459 310 HA ARG 40 HA ARG 40 119.514 54.616 42.672 311 1HB ARG 40 1HB ARG 40 119.544 57.084 42.100 312 2HB ARG 40 2HB ARG 40 119.178 57.415 43.794 313 1HG ARG 40 1HG ARG 40 121.256 56.699 44.530 314 2HG ARG 40 2HG ARG 40 121.477 55.604 43.165 315 1HD ARG 40 1HD ARG 40 122.858 57.244 42.361 316 2HD ARG 40 2HD ARG 40 121.350 58.066 41.914 317 HE ARG 40 HE ARG 40 122.103 58.497 44.703 318 1HH1 ARG 40 1HH2 ARG 40 124.359 59.367 42.767 319 2HH1 ARG 40 2HH2 ARG 40 123.976 61.046 42.580 320 1HH2 ARG 40 1HH1 ARG 40 120.782 60.737 43.896 321 2HH2 ARG 40 2HH1 ARG 40 121.953 61.822 43.221 322 H LEU 41 H LEU 41 117.097 55.867 44.891 323 HA LEU 41 HA LEU 41 118.394 55.376 47.380 324 1HB LEU 41 1HB LEU 41 115.885 56.188 46.378 325 2HB LEU 41 2HB LEU 41 115.552 54.794 47.406 326 HG LEU 41 HG LEU 41 117.367 56.156 48.933 327 1HD1 LEU 41 1HD1 LEU 41 117.376 58.048 47.336 328 2HD1 LEU 41 2HD1 LEU 41 115.632 58.214 47.533 329 3HD1 LEU 41 3HD1 LEU 41 116.706 58.527 48.896 330 1HD2 LEU 41 1HD2 LEU 41 114.386 56.010 48.802 331 2HD2 LEU 41 2HD2 LEU 41 115.481 55.460 50.069 332 3HD2 LEU 41 3HD2 LEU 41 115.093 57.173 49.922 333 H ARG 42 H ARG 42 116.599 53.217 45.205 334 HA ARG 42 HA ARG 42 116.271 50.972 46.889 335 1HB ARG 42 1HB ARG 42 116.123 51.676 44.116 336 2HB ARG 42 2HB ARG 42 116.974 50.138 44.248 337 1HG ARG 42 1HG ARG 42 115.047 49.070 44.697 338 2HG ARG 42 2HG ARG 42 114.741 50.141 46.064 339 1HD ARG 42 1HD ARG 42 112.896 50.590 44.678 340 2HD ARG 42 2HD ARG 42 114.036 51.853 44.174 341 HE ARG 42 HE ARG 42 114.702 49.659 42.599 342 1HH1 ARG 42 1HH1 ARG 42 111.509 50.144 43.378 343 2HH1 ARG 42 2HH1 ARG 42 110.968 50.482 41.768 344 1HH2 ARG 42 1HH2 ARG 42 114.169 50.678 40.449 345 2HH2 ARG 42 2HH2 ARG 42 112.474 50.782 40.108 346 H GLU 43 H GLU 43 119.100 52.001 44.989 347 HA GLU 43 HA GLU 43 120.685 49.641 45.519 348 1HB GLU 43 1HB GLU 43 121.040 52.398 44.425 349 2HB GLU 43 2HB GLU 43 122.494 51.523 44.906 350 1HG GLU 43 1HG GLU 43 120.490 50.026 43.287 351 2HG GLU 43 2HG GLU 43 121.427 51.267 42.456 352 H ALA 44 H ALA 44 119.811 52.331 47.483 353 HA ALA 44 HA ALA 44 122.229 52.135 49.193 354 1HB ALA 44 1HB ALA 44 120.293 54.094 48.491 355 2HB ALA 44 2HB ALA 44 120.112 53.791 50.222 356 3HB ALA 44 3HB ALA 44 121.675 54.291 49.570 357 H ARG 45 H ARG 45 118.717 52.191 49.856 358 HA ARG 45 HA ARG 45 118.718 51.153 52.424 359 1HB ARG 45 1HB ARG 45 116.752 52.005 51.254 360 2HB ARG 45 2HB ARG 45 116.801 50.647 50.128 361 1HG ARG 45 1HG ARG 45 115.118 50.237 51.866 362 2HG ARG 45 2HG ARG 45 116.445 49.085 52.023 363 1HD ARG 45 1HD ARG 45 117.312 50.150 53.937 364 2HD ARG 45 2HD ARG 45 116.483 51.676 53.575 365 HE ARG 45 HE ARG 45 114.326 50.225 53.919 366 1HH1 ARG 45 1HH1 ARG 45 116.855 50.873 56.016 367 2HH1 ARG 45 2HH1 ARG 45 116.387 49.723 57.223 368 1HH2 ARG 45 1HH2 ARG 45 113.918 48.274 55.266 369 2HH2 ARG 45 2HH2 ARG 45 114.724 48.252 56.799 370 H ARG 46 H ARG 46 119.174 49.385 49.407 371 HA ARG 46 HA ARG 46 119.547 46.873 51.008 372 1HB ARG 46 1HB ARG 46 118.493 47.250 48.184 373 2HB ARG 46 2HB ARG 46 118.657 45.704 49.020 374 1HG ARG 46 1HG ARG 46 117.148 46.681 50.835 375 2HG ARG 46 2HG ARG 46 116.811 47.997 49.711 376 1HD ARG 46 1HD ARG 46 115.116 46.602 49.023 377 2HD ARG 46 2HD ARG 46 116.411 45.830 48.088 378 HE ARG 46 HE ARG 46 116.180 44.896 50.866 379 1HH1 ARG 46 1HH1 ARG 46 117.067 43.631 48.085 380 2HH1 ARG 46 2HH1 ARG 46 115.917 42.337 48.006 381 1HH2 ARG 46 1HH2 ARG 46 113.927 43.596 50.551 382 2HH2 ARG 46 2HH2 ARG 46 114.140 42.317 49.402 383 1H HIS 1 1H HIS 1 102.323 88.162 60.726 384 2H HIS 1 2H HIS 1 102.916 87.976 62.308 385 3H HIS 1 3H HIS 1 103.586 89.150 61.279 386 HA HIS 1 HA HIS 1 105.149 87.421 61.225 387 1HB HIS 1 1HB HIS 1 102.606 85.802 61.295 388 2HB HIS 1 2HB HIS 1 104.127 85.055 60.808 389 HD1 HIS 1 HD1 HIS 1 104.913 87.639 63.169 390 HD2 HIS 1 HD2 HIS 1 103.532 83.720 63.491 391 HE1 HIS 1 HE1 HIS 1 105.374 86.910 65.551 392 H MET 2 H MET 2 105.888 88.210 59.241 393 HA MET 2 HA MET 2 104.925 86.851 56.815 394 1HB MET 2 1HB MET 2 103.714 89.216 57.625 395 2HB MET 2 2HB MET 2 104.914 89.764 56.453 396 1HG MET 2 1HG MET 2 104.045 88.236 54.773 397 2HG MET 2 2HG MET 2 102.931 87.528 55.942 398 1HE MET 2 1HE MET 2 101.503 88.089 53.633 399 2HE MET 2 2HE MET 2 100.992 89.715 53.189 400 3HE MET 2 3HE MET 2 102.673 89.216 52.951 401 H GLY 3 H GLY 3 107.048 86.162 56.386 402 1HA GLY 3 1HA GLY 3 109.116 88.307 56.128 403 2HA GLY 3 2HA GLY 3 109.488 86.617 56.468 404 H HIS 4 H HIS 4 110.595 85.935 54.677 405 HA HIS 4 HA HIS 4 109.233 86.284 52.027 406 1HB HIS 4 1HB HIS 4 112.017 86.858 52.959 407 2HB HIS 4 2HB HIS 4 111.811 86.260 51.313 408 HD1 HIS 4 HD1 HIS 4 110.928 87.883 49.587 409 HD2 HIS 4 HD2 HIS 4 110.552 89.348 53.472 410 HE1 HIS 4 HE1 HIS 4 110.173 90.291 49.375 411 H ILE 5 H ILE 5 109.592 84.514 50.543 412 HA ILE 5 HA ILE 5 110.699 82.031 51.816 413 HB ILE 5 HB ILE 5 108.300 82.378 49.987 414 1HG1 ILE 5 1HG1 ILE 5 107.223 81.432 52.216 415 2HG1 ILE 5 2HG1 ILE 5 108.648 82.158 52.958 416 1HG2 ILE 5 1HG2 ILE 5 109.631 80.201 49.847 417 2HG2 ILE 5 2HG2 ILE 5 109.153 79.914 51.520 418 3HG2 ILE 5 3HG2 ILE 5 107.925 80.034 50.259 419 1HD1 ILE 5 1HD1 ILE 5 107.561 84.006 51.051 420 2HD1 ILE 5 2HD1 ILE 5 106.267 83.469 52.122 421 3HD1 ILE 5 3HD1 ILE 5 107.724 84.201 52.796 422 H GLN 6 H GLN 6 111.823 80.617 50.374 423 HA GLN 6 HA GLN 6 112.422 81.780 47.670 424 1HB GLN 6 1HB GLN 6 114.180 81.818 49.565 425 2HB GLN 6 2HB GLN 6 114.267 80.069 49.347 426 1HG GLN 6 1HG GLN 6 114.833 80.385 46.970 427 2HG GLN 6 2HG GLN 6 114.731 82.135 47.173 428 1HE2 GLN 6 2HE2 GLN 6 116.757 83.063 47.448 429 2HE2 GLN 6 1HE2 GLN 6 118.076 82.325 48.222 430 H ILE 7 H ILE 7 110.279 80.004 47.916 431 HA ILE 7 HA ILE 7 111.398 77.393 46.962 432 HB ILE 7 HB ILE 7 108.726 78.129 48.198 433 1HG1 ILE 7 1HG1 ILE 7 110.627 78.240 49.775 434 2HG1 ILE 7 2HG1 ILE 7 109.580 76.870 50.146 435 1HG2 ILE 7 1HG2 ILE 7 109.841 75.618 47.010 436 2HG2 ILE 7 2HG2 ILE 7 108.807 75.480 48.433 437 3HG2 ILE 7 3HG2 ILE 7 108.191 76.242 46.966 438 1HD1 ILE 7 1HD1 ILE 7 111.374 75.812 48.314 439 2HD1 ILE 7 2HD1 ILE 7 112.378 76.890 49.284 440 3HD1 ILE 7 3HD1 ILE 7 111.454 75.606 50.064 441 HA PRO 8 HA PRO 8 109.652 78.783 43.077 442 1HB PRO 8 1HB PRO 8 110.274 76.558 41.618 443 2HB PRO 8 2HB PRO 8 111.462 77.813 42.022 444 1HG PRO 8 1HG PRO 8 111.005 75.165 43.289 445 2HG PRO 8 2HG PRO 8 112.524 76.006 42.948 446 1HD PRO 8 1HD PRO 8 111.380 75.912 45.418 447 2HD PRO 8 2HD PRO 8 112.419 77.247 44.868 448 HA PRO 9 HA PRO 9 105.741 76.709 43.455 449 1HB PRO 9 1HB PRO 9 104.509 77.776 41.258 450 2HB PRO 9 2HB PRO 9 104.760 78.687 42.760 451 1HG PRO 9 1HG PRO 9 106.287 78.785 40.210 452 2HG PRO 9 2HG PRO 9 105.855 80.096 41.320 453 1HD PRO 9 1HD PRO 9 108.334 78.945 41.213 454 2HD PRO 9 2HD PRO 9 107.667 79.728 42.662 455 H GLY 10 H GLY 10 104.265 75.353 41.918 456 1HA GLY 10 1HA GLY 10 104.053 73.898 40.004 457 2HA GLY 10 2HA GLY 10 105.772 74.125 39.677 458 H LEU 11 H LEU 11 106.638 73.630 42.406 459 HA LEU 11 HA LEU 11 106.782 70.726 42.309 460 1HB LEU 11 1HB LEU 11 108.613 72.212 43.055 461 2HB LEU 11 2HB LEU 11 107.618 72.759 44.406 462 HG LEU 11 HG LEU 11 108.019 69.817 44.080 463 1HD1 LEU 11 1HD1 LEU 11 110.243 71.403 43.960 464 2HD1 LEU 11 2HD1 LEU 11 110.071 71.191 45.703 465 3HD1 LEU 11 3HD1 LEU 11 110.224 69.781 44.654 466 1HD2 LEU 11 1HD2 LEU 11 107.465 71.815 46.234 467 2HD2 LEU 11 2HD2 LEU 11 106.709 70.250 45.936 468 3HD2 LEU 11 3HD2 LEU 11 108.301 70.330 46.688 469 H THR 12 H THR 12 104.943 73.103 44.177 470 HA THR 12 HA THR 12 103.970 71.381 46.239 471 HB THR 12 HB THR 12 102.674 73.765 44.877 472 HG1 THR 12 HG1 THR 12 104.150 74.881 45.833 473 1HG2 THR 12 1HG2 THR 12 102.273 72.464 47.579 474 2HG2 THR 12 2HG2 THR 12 101.666 74.069 47.174 475 3HG2 THR 12 3HG2 THR 12 101.079 72.657 46.296 476 H GLU 13 H GLU 13 102.499 72.302 43.112 477 HA GLU 13 HA GLU 13 100.124 70.789 43.276 478 1HB GLU 13 1HB GLU 13 100.726 72.465 41.546 479 2HB GLU 13 2HB GLU 13 101.912 71.339 40.883 480 1HG GLU 13 1HG GLU 13 100.161 69.738 40.341 481 2HG GLU 13 2HG GLU 13 98.947 70.752 41.123 482 H LEU 14 H LEU 14 103.276 69.788 41.885 483 HA LEU 14 HA LEU 14 102.499 67.107 41.254 484 1HB LEU 14 1HB LEU 14 104.763 68.806 41.105 485 2HB LEU 14 2HB LEU 14 105.286 67.358 41.967 486 HG LEU 14 HG LEU 14 104.182 65.997 40.131 487 1HD1 LEU 14 1HD1 LEU 14 104.008 68.765 38.917 488 2HD1 LEU 14 2HD1 LEU 14 103.916 67.289 37.957 489 3HD1 LEU 14 3HD1 LEU 14 102.690 67.622 39.181 490 1HD2 LEU 14 1HD2 LEU 14 106.694 66.827 40.328 491 2HD2 LEU 14 2HD2 LEU 14 106.137 66.004 38.870 492 3HD2 LEU 14 3HD2 LEU 14 106.268 67.763 38.896 493 H LEU 15 H LEU 15 104.293 68.395 44.085 494 HA LEU 15 HA LEU 15 104.597 65.966 45.501 495 1HB LEU 15 1HB LEU 15 104.673 68.855 45.984 496 2HB LEU 15 2HB LEU 15 104.187 67.943 47.414 497 HG LEU 15 HG LEU 15 106.638 68.188 47.328 498 1HD1 LEU 15 1HD1 LEU 15 105.256 65.932 47.902 499 2HD1 LEU 15 2HD1 LEU 15 106.300 65.324 46.616 500 3HD1 LEU 15 3HD1 LEU 15 107.008 66.050 48.060 501 1HD2 LEU 15 1HD2 LEU 15 106.762 68.323 44.822 502 2HD2 LEU 15 2HD2 LEU 15 107.926 67.195 45.516 503 3HD2 LEU 15 3HD2 LEU 15 106.454 66.588 44.756 504 H GLN 16 H GLN 16 101.966 68.392 45.853 505 HA GLN 16 HA GLN 16 100.377 67.042 47.741 506 1HB GLN 16 1HB GLN 16 100.231 69.291 46.122 507 2HB GLN 16 2HB GLN 16 98.887 68.304 45.543 508 1HG GLN 16 1HG GLN 16 98.387 67.984 48.104 509 2HG GLN 16 2HG GLN 16 99.349 69.453 48.280 510 1HE2 GLN 16 2HE2 GLN 16 98.638 71.087 46.252 511 2HE2 GLN 16 1HE2 GLN 16 96.963 71.359 46.207 512 H GLY 17 H GLY 17 100.681 66.491 44.255 513 1HA GLY 17 1HA GLY 17 98.461 64.762 43.882 514 2HA GLY 17 2HA GLY 17 99.948 64.694 42.933 515 H TYR 18 H TYR 18 101.870 63.885 44.574 516 HA TYR 18 HA TYR 18 101.606 61.125 44.916 517 1HB TYR 18 1HB TYR 18 103.542 62.994 45.208 518 2HB TYR 18 2HB TYR 18 103.228 62.632 46.906 519 HD1 TYR 18 HD1 TYR 18 103.183 60.520 43.797 520 HD2 TYR 18 HD2 TYR 18 104.868 61.168 47.717 521 HE1 TYR 18 HE1 TYR 18 104.487 58.401 43.588 522 HE2 TYR 18 HE2 TYR 18 106.170 59.054 47.512 523 HH TYR 18 HH TYR 18 106.070 56.945 46.258 524 H THR 19 H THR 19 101.060 63.672 47.363 525 HA THR 19 HA THR 19 100.432 61.995 49.566 526 HB THR 19 HB THR 19 99.360 64.727 48.780 527 HG1 THR 19 HG1 THR 19 101.293 65.376 49.197 528 1HG2 THR 19 1HG2 THR 19 98.381 63.279 50.789 529 2HG2 THR 19 2HG2 THR 19 99.828 63.875 51.602 530 3HG2 THR 19 3HG2 THR 19 98.648 65.014 50.954 531 H VAL 20 H VAL 20 98.416 63.176 46.892 532 HA VAL 20 HA VAL 20 95.918 62.160 48.000 533 HB VAL 20 HB VAL 20 96.778 63.055 45.229 534 1HG1 VAL 20 1HG1 VAL 20 94.687 61.599 45.370 535 2HG1 VAL 20 2HG1 VAL 20 93.967 62.886 46.337 536 3HG1 VAL 20 3HG1 VAL 20 94.455 63.202 44.672 537 1HG2 VAL 20 1HG2 VAL 20 96.572 64.519 47.573 538 2HG2 VAL 20 2HG2 VAL 20 96.461 65.184 45.943 539 3HG2 VAL 20 3HG2 VAL 20 94.993 64.755 46.822 540 H GLU 21 H GLU 21 98.466 60.871 45.943 541 HA GLU 21 HA GLU 21 96.833 58.578 45.053 542 1HB GLU 21 1HB GLU 21 99.819 58.621 44.820 543 2HB GLU 21 2HB GLU 21 98.619 58.112 43.638 544 1HG GLU 21 1HG GLU 21 98.080 60.795 43.849 545 2HG GLU 21 2HG GLU 21 99.830 60.758 44.076 546 H VAL 22 H VAL 22 99.949 58.819 46.752 547 HA VAL 22 HA VAL 22 100.102 56.231 47.795 548 HB VAL 22 HB VAL 22 100.915 58.839 49.125 549 1HG1 VAL 22 1HG1 VAL 22 101.088 56.349 50.168 550 2HG1 VAL 22 2HG1 VAL 22 102.586 56.395 49.237 551 3HG1 VAL 22 3HG1 VAL 22 102.281 57.610 50.479 552 1HG2 VAL 22 1HG2 VAL 22 101.784 57.521 46.659 553 2HG2 VAL 22 2HG2 VAL 22 102.143 59.145 47.247 554 3HG2 VAL 22 3HG2 VAL 22 103.110 57.774 47.793 555 H LEU 23 H LEU 23 98.066 58.891 48.843 556 HA LEU 23 HA LEU 23 97.365 57.571 51.392 557 1HB LEU 23 1HB LEU 23 97.621 60.022 51.183 558 2HB LEU 23 2HB LEU 23 96.328 60.054 49.983 559 HG LEU 23 HG LEU 23 94.871 58.922 51.780 560 1HD1 LEU 23 1HD1 LEU 23 97.071 58.523 53.165 561 2HD1 LEU 23 2HD1 LEU 23 96.794 60.174 53.720 562 3HD1 LEU 23 3HD1 LEU 23 95.576 58.931 54.005 563 1HD2 LEU 23 1HD2 LEU 23 94.967 61.426 51.035 564 2HD2 LEU 23 2HD2 LEU 23 94.133 61.024 52.535 565 3HD2 LEU 23 3HD2 LEU 23 95.767 61.684 52.585 566 H ARG 24 H ARG 24 96.114 57.870 48.125 567 HA ARG 24 HA ARG 24 93.433 56.890 48.862 568 1HB ARG 24 1HB ARG 24 93.935 58.582 47.069 569 2HB ARG 24 2HB ARG 24 94.735 57.304 46.153 570 1HG ARG 24 1HG ARG 24 92.729 56.745 45.298 571 2HG ARG 24 2HG ARG 24 92.234 56.244 46.915 572 1HD ARG 24 1HD ARG 24 91.573 58.635 47.382 573 2HD ARG 24 2HD ARG 24 91.889 58.993 45.672 574 HE ARG 24 HE ARG 24 90.274 56.775 45.527 575 1HH1 ARG 24 1HH1 ARG 24 89.543 58.222 48.281 576 2HH1 ARG 24 2HH1 ARG 24 88.059 58.969 47.793 577 1HH2 ARG 24 1HH2 ARG 24 88.582 58.411 44.412 578 2HH2 ARG 24 2HH2 ARG 24 87.514 59.077 45.602 579 H GLN 25 H GLN 25 96.055 55.686 46.711 580 HA GLN 25 HA GLN 25 94.876 52.992 46.725 581 1HB GLN 25 1HB GLN 25 96.743 52.544 45.160 582 2HB GLN 25 2HB GLN 25 95.867 54.005 44.706 583 1HG GLN 25 1HG GLN 25 97.573 55.421 45.524 584 2HG GLN 25 2HG GLN 25 98.310 54.129 46.468 585 1HE2 GLN 25 2HE2 GLN 25 98.979 52.136 44.944 586 2HE2 GLN 25 1HE2 GLN 25 99.783 52.578 43.514 587 H GLN 26 H GLN 26 97.492 54.700 48.332 588 HA GLN 26 HA GLN 26 99.085 53.965 49.927 589 1HB GLN 26 1HB GLN 26 96.437 53.106 50.505 590 2HB GLN 26 2HB GLN 26 97.515 51.785 50.960 591 1HG GLN 26 1HG GLN 26 98.923 53.448 52.210 592 2HG GLN 26 2HG GLN 26 97.697 54.670 51.872 593 1HE2 GLN 26 2HE2 GLN 26 96.040 54.827 53.393 594 2HE2 GLN 26 1HE2 GLN 26 95.642 53.624 54.523 595 HA PRO 27 HA PRO 27 100.355 50.352 47.324 596 1HB PRO 27 1HB PRO 27 102.896 51.252 46.842 597 2HB PRO 27 2HB PRO 27 101.503 51.699 45.835 598 1HG PRO 27 1HG PRO 27 102.851 53.243 47.995 599 2HG PRO 27 2HG PRO 27 102.194 53.802 46.448 600 1HD PRO 27 1HD PRO 27 100.901 54.121 48.821 601 2HD PRO 27 2HD PRO 27 100.062 53.967 47.263 602 HA PRO 28 HA PRO 28 102.491 48.398 50.644 603 1HB PRO 28 1HB PRO 28 104.050 46.569 49.331 604 2HB PRO 28 2HB PRO 28 102.292 46.394 49.505 605 1HG PRO 28 1HG PRO 28 103.876 47.360 47.177 606 2HG PRO 28 2HG PRO 28 102.438 46.327 47.213 607 1HD PRO 28 1HD PRO 28 102.354 48.974 46.595 608 2HD PRO 28 2HD PRO 28 101.001 48.108 47.357 609 H ASP 29 H ASP 29 104.502 49.455 47.915 610 HA ASP 29 HA ASP 29 106.637 50.212 49.881 611 1HB ASP 29 1HB ASP 29 106.903 49.023 47.099 612 2HB ASP 29 2HB ASP 29 108.253 49.538 48.111 613 H LEU 30 H LEU 30 106.652 52.425 49.877 614 HA LEU 30 HA LEU 30 105.603 54.066 47.760 615 1HB LEU 30 1HB LEU 30 105.748 54.707 50.138 616 2HB LEU 30 2HB LEU 30 107.509 54.653 50.051 617 HG LEU 30 HG LEU 30 107.027 56.319 47.987 618 1HD1 LEU 30 1HD1 LEU 30 104.508 56.073 49.257 619 2HD1 LEU 30 2HD1 LEU 30 105.132 57.662 49.700 620 3HD1 LEU 30 3HD1 LEU 30 104.965 57.223 48.000 621 1HD2 LEU 30 1HD2 LEU 30 108.509 56.744 49.921 622 2HD2 LEU 30 2HD2 LEU 30 107.523 58.161 49.559 623 3HD2 LEU 30 3HD2 LEU 30 107.102 57.116 50.917 624 H VAL 31 H VAL 31 108.891 52.987 48.587 625 HA VAL 31 HA VAL 31 110.452 54.632 46.931 626 HB VAL 31 HB VAL 31 110.697 51.639 47.387 627 1HG1 VAL 31 1HG1 VAL 31 112.227 52.670 45.674 628 2HG1 VAL 31 2HG1 VAL 31 112.842 53.738 46.936 629 3HG1 VAL 31 3HG1 VAL 31 113.076 51.995 47.064 630 1HG2 VAL 31 1HG2 VAL 31 111.121 54.032 49.125 631 2HG2 VAL 31 2HG2 VAL 31 110.606 52.403 49.565 632 3HG2 VAL 31 3HG2 VAL 31 112.307 52.732 49.241 633 H ASP 32 H ASP 32 109.380 51.355 45.991 634 HA ASP 32 HA ASP 32 109.938 51.553 43.236 635 1HB ASP 32 1HB ASP 32 108.891 49.737 45.034 636 2HB ASP 32 2HB ASP 32 107.516 50.049 43.971 637 H PHE 33 H PHE 33 106.979 52.452 45.018 638 HA PHE 33 HA PHE 33 105.347 53.113 42.773 639 1HB PHE 33 1HB PHE 33 104.618 52.855 45.142 640 2HB PHE 33 2HB PHE 33 105.465 54.349 45.546 641 HD1 PHE 33 HD1 PHE 33 102.969 53.064 43.032 642 HD2 PHE 33 HD2 PHE 33 104.244 56.345 45.533 643 HE1 PHE 33 HE1 PHE 33 100.990 54.391 42.301 644 HE2 PHE 33 HE2 PHE 33 102.267 57.674 44.797 645 HZ PHE 33 HZ PHE 33 100.639 56.696 43.184 646 H ALA 34 H ALA 34 107.525 55.157 44.742 647 HA ALA 34 HA ALA 34 107.107 57.622 43.412 648 1HB ALA 34 1HB ALA 34 108.583 56.686 45.496 649 2HB ALA 34 2HB ALA 34 109.855 56.930 44.299 650 3HB ALA 34 3HB ALA 34 108.828 58.279 44.781 651 H VAL 35 H VAL 35 109.466 55.021 42.698 652 HA VAL 35 HA VAL 35 110.675 56.366 40.454 653 HB VAL 35 HB VAL 35 110.472 53.462 41.311 654 1HG1 VAL 35 1HG1 VAL 35 111.981 54.850 39.131 655 2HG1 VAL 35 2HG1 VAL 35 112.741 53.493 39.961 656 3HG1 VAL 35 3HG1 VAL 35 111.208 53.266 39.122 657 1HG2 VAL 35 1HG2 VAL 35 111.513 54.968 42.971 658 2HG2 VAL 35 2HG2 VAL 35 112.711 53.884 42.265 659 3HG2 VAL 35 3HG2 VAL 35 112.622 55.564 41.734 660 H GLU 36 H GLU 36 107.952 54.127 40.822 661 HA GLU 36 HA GLU 36 107.581 53.750 37.951 662 1HB GLU 36 1HB GLU 36 106.947 51.951 39.327 663 2HB GLU 36 2HB GLU 36 106.231 53.007 40.541 664 1HG GLU 36 1HG GLU 36 104.218 52.956 39.537 665 2HG GLU 36 2HG GLU 36 104.914 53.245 37.943 666 H TYR 37 H TYR 37 106.388 55.940 40.438 667 HA TYR 37 HA TYR 37 104.117 56.921 38.897 668 1HB TYR 37 1HB TYR 37 104.174 56.998 41.333 669 2HB TYR 37 2HB TYR 37 105.653 57.956 41.302 670 HD1 TYR 37 HD1 TYR 37 102.536 58.227 39.222 671 HD2 TYR 37 HD2 TYR 37 105.095 60.083 42.164 672 HE1 TYR 37 HE1 TYR 37 101.188 60.319 39.075 673 HE2 TYR 37 HE2 TYR 37 103.747 62.176 42.017 674 HH TYR 37 HH TYR 37 101.577 62.799 39.530 675 H PHE 38 H PHE 38 107.002 58.725 40.010 676 HA PHE 38 HA PHE 38 106.804 60.894 38.247 677 1HB PHE 38 1HB PHE 38 109.085 59.457 39.595 678 2HB PHE 38 2HB PHE 38 109.384 60.885 38.603 679 HD1 PHE 38 HD1 PHE 38 107.219 62.690 39.077 680 HD2 PHE 38 HD2 PHE 38 109.129 60.011 41.873 681 HE1 PHE 38 HE1 PHE 38 106.504 64.152 40.965 682 HE2 PHE 38 HE2 PHE 38 108.415 61.474 43.761 683 HZ PHE 38 HZ PHE 38 107.103 63.544 43.308 684 H THR 39 H THR 39 108.708 57.886 37.724 685 HA THR 39 HA THR 39 109.738 58.475 35.170 686 HB THR 39 HB THR 39 108.733 55.875 36.371 687 HG1 THR 39 HG1 THR 39 110.352 56.825 37.575 688 1HG2 THR 39 1HG2 THR 39 109.600 56.406 33.728 689 2HG2 THR 39 2HG2 THR 39 110.931 55.582 34.540 690 3HG2 THR 39 3HG2 THR 39 109.337 54.831 34.477 691 H ARG 40 H ARG 40 106.536 57.188 36.056 692 HA ARG 40 HA ARG 40 105.650 56.793 33.319 693 1HB ARG 40 1HB ARG 40 104.798 55.682 35.431 694 2HB ARG 40 2HB ARG 40 104.031 57.213 35.850 695 1HG ARG 40 1HG ARG 40 102.472 57.063 34.141 696 2HG ARG 40 2HG ARG 40 103.522 56.066 33.132 697 1HD ARG 40 1HD ARG 40 102.199 54.339 33.848 698 2HD ARG 40 2HD ARG 40 103.143 54.453 35.347 699 HE ARG 40 HE ARG 40 100.948 56.376 35.228 700 1HH1 ARG 40 1HH2 ARG 40 99.927 53.477 34.870 701 2HH1 ARG 40 2HH2 ARG 40 99.535 53.082 36.510 702 1HH2 ARG 40 1HH1 ARG 40 101.305 55.743 37.854 703 2HH2 ARG 40 2HH1 ARG 40 100.315 54.364 38.199 704 H LEU 41 H LEU 41 105.667 59.491 35.570 705 HA LEU 41 HA LEU 41 103.661 61.138 34.398 706 1HB LEU 41 1HB LEU 41 105.625 61.240 36.421 707 2HB LEU 41 2HB LEU 41 105.960 62.615 35.367 708 HG LEU 41 HG LEU 41 103.236 62.742 35.546 709 1HD1 LEU 41 1HD1 LEU 41 103.197 60.908 37.206 710 2HD1 LEU 41 2HD1 LEU 41 104.282 61.831 38.245 711 3HD1 LEU 41 3HD1 LEU 41 102.654 62.426 37.920 712 1HD2 LEU 41 1HD2 LEU 41 105.520 64.038 36.969 713 2HD2 LEU 41 2HD2 LEU 41 104.318 64.752 35.894 714 3HD2 LEU 41 3HD2 LEU 41 103.895 64.379 37.565 715 H ARG 42 H ARG 42 107.072 60.637 33.553 716 HA ARG 42 HA ARG 42 107.459 62.777 31.749 717 1HB ARG 42 1HB ARG 42 108.686 60.306 32.522 718 2HB ARG 42 2HB ARG 42 108.706 60.401 30.760 719 1HG ARG 42 1HG ARG 42 110.351 61.933 30.825 720 2HG ARG 42 2HG ARG 42 109.372 62.978 31.856 721 1HD ARG 42 1HD ARG 42 111.223 62.537 33.236 722 2HD ARG 42 2HD ARG 42 110.086 61.272 33.749 723 HE ARG 42 HE ARG 42 111.425 60.159 31.577 724 1HH1 ARG 42 1HH1 ARG 42 113.103 62.174 33.620 725 2HH1 ARG 42 2HH1 ARG 42 114.178 60.966 34.241 726 1HH2 ARG 42 1HH2 ARG 42 112.464 58.319 32.798 727 2HH2 ARG 42 2HH2 ARG 42 113.816 58.784 33.776 728 H GLU 43 H GLU 43 105.937 59.602 31.223 729 HA GLU 43 HA GLU 43 105.597 59.905 28.368 730 1HB GLU 43 1HB GLU 43 104.651 58.133 30.578 731 2HB GLU 43 2HB GLU 43 103.750 58.089 29.062 732 1HG GLU 43 1HG GLU 43 106.722 57.998 28.869 733 2HG GLU 43 2HG GLU 43 105.912 56.552 29.474 734 H ALA 44 H ALA 44 103.977 61.324 31.055 735 HA ALA 44 HA ALA 44 101.431 61.720 29.581 736 1HB ALA 44 1HB ALA 44 102.299 61.528 32.280 737 2HB ALA 44 2HB ALA 44 101.670 63.164 32.060 738 3HB ALA 44 3HB ALA 44 100.650 61.768 31.699 739 H ARG 45 H ARG 45 103.594 63.886 31.425 740 HA ARG 45 HA ARG 45 102.729 66.331 30.455 741 1HB ARG 45 1HB ARG 45 104.367 66.028 32.240 742 2HB ARG 45 2HB ARG 45 105.538 65.379 31.090 743 1HG ARG 45 1HG ARG 45 106.034 67.737 31.555 744 2HG ARG 45 2HG ARG 45 105.521 67.545 29.877 745 1HD ARG 45 1HD ARG 45 103.413 68.516 30.276 746 2HD ARG 45 2HD ARG 45 103.503 68.215 32.023 747 HE ARG 45 HE ARG 45 105.544 69.857 31.887 748 1HH1 ARG 45 1HH1 ARG 45 102.332 70.323 31.060 749 2HH1 ARG 45 2HH1 ARG 45 102.567 71.853 30.282 750 1HH2 ARG 45 1HH2 ARG 45 106.028 71.675 30.389 751 2HH2 ARG 45 2HH2 ARG 45 104.659 72.618 29.902 752 H ARG 46 H ARG 46 104.774 63.982 28.807 753 HA ARG 46 HA ARG 46 104.825 65.794 26.413 754 1HB ARG 46 1HB ARG 46 106.880 63.776 27.378 755 2HB ARG 46 2HB ARG 46 107.035 64.791 25.943 756 1HG ARG 46 1HG ARG 46 106.731 66.797 27.496 757 2HG ARG 46 2HG ARG 46 106.958 65.671 28.835 758 1HD ARG 46 1HD ARG 46 109.177 66.207 28.541 759 2HD ARG 46 2HD ARG 46 109.082 65.000 27.243 760 HE ARG 46 HE ARG 46 108.227 67.702 26.466 761 1HH1 ARG 46 1HH1 ARG 46 109.615 65.233 25.020 762 2HH1 ARG 46 2HH1 ARG 46 111.077 66.012 24.512 763 1HH2 ARG 46 1HH2 ARG 46 110.613 68.790 26.533 764 2HH2 ARG 46 2HH2 ARG 46 111.642 68.026 25.368 Start of MODEL 13 1 1H HIS 1 1H HIS 1 80.662 55.045 50.067 2 2H HIS 1 2H HIS 1 80.669 55.498 48.430 3 3H HIS 1 3H HIS 1 82.134 55.308 49.268 4 HA HIS 1 HA HIS 1 81.605 57.664 49.008 5 1HB HIS 1 1HB HIS 1 79.060 56.704 49.190 6 2HB HIS 1 2HB HIS 1 79.269 57.367 50.811 7 HD1 HIS 1 HD1 HIS 1 80.766 59.881 50.469 8 HD2 HIS 1 HD2 HIS 1 77.927 58.691 47.657 9 HE1 HIS 1 HE1 HIS 1 80.067 61.974 49.228 10 H MET 2 H MET 2 83.513 56.619 50.470 11 HA MET 2 HA MET 2 82.963 57.274 53.342 12 1HB MET 2 1HB MET 2 84.456 55.228 51.872 13 2HB MET 2 2HB MET 2 85.423 55.985 53.139 14 1HG MET 2 1HG MET 2 83.341 55.631 54.645 15 2HG MET 2 2HG MET 2 82.817 54.493 53.404 16 1HE MET 2 1HE MET 2 83.183 52.463 53.264 17 2HE MET 2 2HE MET 2 84.805 52.326 52.589 18 3HE MET 2 3HE MET 2 84.379 51.408 54.031 19 H GLY 3 H GLY 3 83.490 59.450 53.562 20 1HA GLY 3 1HA GLY 3 85.969 60.444 52.255 21 2HA GLY 3 2HA GLY 3 84.713 61.458 52.967 22 H HIS 4 H HIS 4 87.667 59.779 53.564 23 HA HIS 4 HA HIS 4 87.704 60.900 56.328 24 1HB HIS 4 1HB HIS 4 87.020 58.324 55.898 25 2HB HIS 4 2HB HIS 4 88.775 58.150 55.922 26 HD1 HIS 4 HD1 HIS 4 85.852 58.979 58.098 27 HD2 HIS 4 HD2 HIS 4 90.003 58.803 58.434 28 HE1 HIS 4 HE1 HIS 4 86.376 59.108 60.572 29 H ILE 5 H ILE 5 89.867 61.295 57.090 30 HA ILE 5 HA ILE 5 91.984 61.065 54.975 31 HB ILE 5 HB ILE 5 91.110 63.354 55.433 32 1HG1 ILE 5 1HG1 ILE 5 93.519 64.163 56.376 33 2HG1 ILE 5 2HG1 ILE 5 93.918 62.509 55.908 34 1HG2 ILE 5 1HG2 ILE 5 91.053 62.474 58.073 35 2HG2 ILE 5 2HG2 ILE 5 92.407 63.603 58.042 36 3HG2 ILE 5 3HG2 ILE 5 90.805 64.134 57.532 37 1HD1 ILE 5 1HD1 ILE 5 92.746 63.033 53.681 38 2HD1 ILE 5 2HD1 ILE 5 92.825 64.726 54.172 39 3HD1 ILE 5 3HD1 ILE 5 94.310 63.800 53.953 40 H GLN 6 H GLN 6 94.106 60.517 55.720 41 HA GLN 6 HA GLN 6 94.755 60.185 58.524 42 1HB GLN 6 1HB GLN 6 93.126 58.220 57.338 43 2HB GLN 6 2HB GLN 6 94.738 57.505 57.400 44 1HG GLN 6 1HG GLN 6 94.715 58.527 59.858 45 2HG GLN 6 2HG GLN 6 92.968 58.387 59.644 46 1HE2 GLN 6 2HE2 GLN 6 92.799 56.597 61.172 47 2HE2 GLN 6 1HE2 GLN 6 93.392 55.052 60.793 48 H ILE 7 H ILE 7 96.700 61.236 57.776 49 HA ILE 7 HA ILE 7 98.345 59.890 55.723 50 HB ILE 7 HB ILE 7 98.430 62.450 57.324 51 1HG1 ILE 7 1HG1 ILE 7 98.511 63.403 55.002 52 2HG1 ILE 7 2HG1 ILE 7 98.382 61.761 54.371 53 1HG2 ILE 7 1HG2 ILE 7 100.685 61.105 55.866 54 2HG2 ILE 7 2HG2 ILE 7 100.544 62.862 55.786 55 3HG2 ILE 7 3HG2 ILE 7 100.727 62.063 57.348 56 1HD1 ILE 7 1HD1 ILE 7 96.365 62.805 56.350 57 2HD1 ILE 7 2HD1 ILE 7 96.198 63.145 54.627 58 3HD1 ILE 7 3HD1 ILE 7 96.199 61.477 55.202 59 HA PRO 8 HA PRO 8 100.163 57.618 59.188 60 1HB PRO 8 1HB PRO 8 101.582 55.862 57.647 61 2HB PRO 8 2HB PRO 8 99.852 55.668 57.994 62 1HG PRO 8 1HG PRO 8 101.185 56.738 55.563 63 2HG PRO 8 2HG PRO 8 99.757 55.701 55.704 64 1HD PRO 8 1HD PRO 8 99.620 58.374 55.205 65 2HD PRO 8 2HD PRO 8 98.344 57.471 56.051 66 HA PRO 9 HA PRO 9 104.113 59.576 59.259 67 1HB PRO 9 1HB PRO 9 105.455 57.972 61.019 68 2HB PRO 9 2HB PRO 9 104.180 59.098 61.521 69 1HG PRO 9 1HG PRO 9 104.065 56.156 61.142 70 2HG PRO 9 2HG PRO 9 103.252 57.174 62.338 71 1HD PRO 9 1HD PRO 9 102.045 56.149 60.090 72 2HD PRO 9 2HD PRO 9 101.487 57.593 60.961 73 H GLY 10 H GLY 10 106.448 59.163 58.742 74 1HA GLY 10 1HA GLY 10 108.187 57.679 57.881 75 2HA GLY 10 2HA GLY 10 106.920 56.602 57.291 76 H LEU 11 H LEU 11 105.402 59.047 56.310 77 HA LEU 11 HA LEU 11 106.669 59.136 53.654 78 1HB LEU 11 1HB LEU 11 104.079 59.262 54.770 79 2HB LEU 11 2HB LEU 11 104.359 60.843 54.039 80 HG LEU 11 HG LEU 11 105.128 58.395 52.493 81 1HD1 LEU 11 1HD1 LEU 11 102.398 59.127 53.329 82 2HD1 LEU 11 2HD1 LEU 11 102.590 58.941 51.586 83 3HD1 LEU 11 3HD1 LEU 11 103.002 57.609 52.666 84 1HD2 LEU 11 1HD2 LEU 11 104.146 61.193 51.886 85 2HD2 LEU 11 2HD2 LEU 11 105.711 60.484 51.491 86 3HD2 LEU 11 3HD2 LEU 11 104.260 59.946 50.644 87 H THR 12 H THR 12 106.508 61.123 56.501 88 HA THR 12 HA THR 12 107.034 63.668 55.181 89 HB THR 12 HB THR 12 107.308 62.685 58.038 90 HG1 THR 12 HG1 THR 12 105.284 64.030 56.589 91 1HG2 THR 12 1HG2 THR 12 107.767 65.330 56.745 92 2HG2 THR 12 2HG2 THR 12 106.931 65.323 58.298 93 3HG2 THR 12 3HG2 THR 12 108.543 64.621 58.162 94 H GLU 13 H GLU 13 109.020 61.327 57.007 95 HA GLU 13 HA GLU 13 111.492 62.688 56.949 96 1HB GLU 13 1HB GLU 13 110.523 59.868 57.086 97 2HB GLU 13 2HB GLU 13 112.244 60.110 56.778 98 1HG GLU 13 1HG GLU 13 112.279 60.148 59.084 99 2HG GLU 13 2HG GLU 13 111.968 61.858 58.781 100 H LEU 14 H LEU 14 110.396 60.168 54.637 101 HA LEU 14 HA LEU 14 112.501 60.359 52.782 102 1HB LEU 14 1HB LEU 14 109.609 59.602 52.752 103 2HB LEU 14 2HB LEU 14 110.429 59.753 51.197 104 HG LEU 14 HG LEU 14 111.602 58.145 53.468 105 1HD1 LEU 14 1HD1 LEU 14 109.353 57.252 52.918 106 2HD1 LEU 14 2HD1 LEU 14 109.818 57.160 51.220 107 3HD1 LEU 14 3HD1 LEU 14 110.632 56.147 52.413 108 1HD2 LEU 14 1HD2 LEU 14 112.830 58.995 51.277 109 2HD2 LEU 14 2HD2 LEU 14 113.098 57.356 51.871 110 3HD2 LEU 14 3HD2 LEU 14 111.981 57.639 50.537 111 H LEU 15 H LEU 15 109.354 62.084 52.624 112 HA LEU 15 HA LEU 15 109.910 63.683 50.359 113 1HB LEU 15 1HB LEU 15 108.076 63.642 52.669 114 2HB LEU 15 2HB LEU 15 108.306 65.242 51.961 115 HG LEU 15 HG LEU 15 107.758 64.333 49.730 116 1HD1 LEU 15 1HD1 LEU 15 107.518 61.771 51.312 117 2HD1 LEU 15 2HD1 LEU 15 106.699 61.982 49.765 118 3HD1 LEU 15 3HD1 LEU 15 108.459 62.069 49.851 119 1HD2 LEU 15 1HD2 LEU 15 105.773 63.809 51.960 120 2HD2 LEU 15 2HD2 LEU 15 105.904 65.253 50.955 121 3HD2 LEU 15 3HD2 LEU 15 105.337 63.738 50.252 122 H GLN 16 H GLN 16 110.631 64.289 53.802 123 HA GLN 16 HA GLN 16 111.575 66.953 53.605 124 1HB GLN 16 1HB GLN 16 111.460 64.840 55.476 125 2HB GLN 16 2HB GLN 16 113.157 65.318 55.405 126 1HG GLN 16 1HG GLN 16 112.664 67.564 55.993 127 2HG GLN 16 2HG GLN 16 110.944 67.358 55.654 128 1HE2 GLN 16 2HE2 GLN 16 110.257 67.904 57.828 129 2HE2 GLN 16 1HE2 GLN 16 110.577 66.891 59.151 130 H GLY 17 H GLY 17 113.274 63.868 53.019 131 1HA GLY 17 1HA GLY 17 115.890 64.884 52.655 132 2HA GLY 17 2HA GLY 17 115.267 63.445 51.841 133 H TYR 18 H TYR 18 113.368 64.320 50.174 134 HA TYR 18 HA TYR 18 114.620 65.343 47.905 135 1HB TYR 18 1HB TYR 18 112.185 64.415 48.549 136 2HB TYR 18 2HB TYR 18 111.799 66.135 48.502 137 HD1 TYR 18 HD1 TYR 18 114.181 64.050 46.494 138 HD2 TYR 18 HD2 TYR 18 110.697 66.593 46.479 139 HE1 TYR 18 HE1 TYR 18 114.130 63.962 43.999 140 HE2 TYR 18 HE2 TYR 18 110.638 66.507 43.989 141 HH TYR 18 HH TYR 18 111.451 65.368 42.165 142 H THR 19 H THR 19 112.765 67.196 50.335 143 HA THR 19 HA THR 19 113.013 69.779 49.240 144 HB THR 19 HB THR 19 112.988 68.762 52.099 145 HG1 THR 19 HG1 THR 19 111.000 69.639 50.283 146 1HG2 THR 19 1HG2 THR 19 112.531 71.542 50.994 147 2HG2 THR 19 2HG2 THR 19 112.074 71.043 52.622 148 3HG2 THR 19 3HG2 THR 19 113.771 71.045 52.145 149 H VAL 20 H VAL 20 115.355 67.876 51.094 150 HA VAL 20 HA VAL 20 117.227 70.105 51.430 151 HB VAL 20 HB VAL 20 117.456 67.102 51.804 152 1HG1 VAL 20 1HG1 VAL 20 119.408 69.249 51.955 153 2HG1 VAL 20 2HG1 VAL 20 119.216 68.457 53.518 154 3HG1 VAL 20 3HG1 VAL 20 119.654 67.508 52.097 155 1HG2 VAL 20 1HG2 VAL 20 116.896 69.362 53.754 156 2HG2 VAL 20 2HG2 VAL 20 115.736 68.143 53.224 157 3HG2 VAL 20 3HG2 VAL 20 117.126 67.671 54.199 158 H GLU 21 H GLU 21 116.660 67.583 49.064 159 HA GLU 21 HA GLU 21 119.323 67.919 47.809 160 1HB GLU 21 1HB GLU 21 117.069 66.466 46.476 161 2HB GLU 21 2HB GLU 21 118.764 66.014 46.600 162 1HG GLU 21 1HG GLU 21 118.033 65.865 49.212 163 2HG GLU 21 2HG GLU 21 116.511 65.434 48.427 164 H VAL 22 H VAL 22 115.942 68.207 46.715 165 HA VAL 22 HA VAL 22 116.335 69.510 44.277 166 HB VAL 22 HB VAL 22 114.179 69.955 46.367 167 1HG1 VAL 22 1HG1 VAL 22 114.176 70.269 43.355 168 2HG1 VAL 22 2HG1 VAL 22 112.759 70.423 44.394 169 3HG1 VAL 22 3HG1 VAL 22 114.084 71.579 44.533 170 1HG2 VAL 22 1HG2 VAL 22 114.703 67.792 44.337 171 2HG2 VAL 22 2HG2 VAL 22 114.228 67.627 46.027 172 3HG2 VAL 22 3HG2 VAL 22 113.053 68.167 44.829 173 H LEU 23 H LEU 23 116.143 70.967 47.537 174 HA LEU 23 HA LEU 23 116.413 73.699 46.553 175 1HB LEU 23 1HB LEU 23 115.308 72.905 48.691 176 2HB LEU 23 2HB LEU 23 116.920 72.562 49.319 177 HG LEU 23 HG LEU 23 117.422 75.040 48.597 178 1HD1 LEU 23 1HD1 LEU 23 114.407 75.051 48.946 179 2HD1 LEU 23 2HD1 LEU 23 115.424 76.485 48.814 180 3HD1 LEU 23 3HD1 LEU 23 115.271 75.384 47.445 181 1HD2 LEU 23 1HD2 LEU 23 117.248 74.001 50.945 182 2HD2 LEU 23 2HD2 LEU 23 116.965 75.738 50.828 183 3HD2 LEU 23 3HD2 LEU 23 115.600 74.631 50.977 184 H ARG 24 H ARG 24 118.624 71.218 47.807 185 HA ARG 24 HA ARG 24 120.924 73.006 47.947 186 1HB ARG 24 1HB ARG 24 120.613 70.987 49.347 187 2HB ARG 24 2HB ARG 24 120.675 69.980 47.900 188 1HG ARG 24 1HG ARG 24 122.910 69.876 48.218 189 2HG ARG 24 2HG ARG 24 122.961 71.565 47.708 190 1HD ARG 24 1HD ARG 24 122.136 71.492 50.457 191 2HD ARG 24 2HD ARG 24 123.610 70.518 50.278 192 HE ARG 24 HE ARG 24 124.211 72.709 48.765 193 1HH1 ARG 24 1HH1 ARG 24 122.113 74.127 50.469 194 2HH1 ARG 24 2HH1 ARG 24 123.103 74.809 51.717 195 1HH2 ARG 24 1HH2 ARG 24 125.842 72.807 51.002 196 2HH2 ARG 24 2HH2 ARG 24 125.213 74.061 52.018 197 H GLN 25 H GLN 25 119.958 70.358 45.723 198 HA GLN 25 HA GLN 25 122.162 70.870 43.891 199 1HB GLN 25 1HB GLN 25 119.598 69.259 43.774 200 2HB GLN 25 2HB GLN 25 120.817 69.227 42.499 201 1HG GLN 25 1HG GLN 25 121.592 68.712 45.363 202 2HG GLN 25 2HG GLN 25 120.938 67.414 44.364 203 1HE2 GLN 25 2HE2 GLN 25 122.152 66.901 42.323 204 2HE2 GLN 25 1HE2 GLN 25 123.811 67.244 42.237 205 H GLN 26 H GLN 26 118.722 71.732 44.009 206 HA GLN 26 HA GLN 26 117.469 73.246 42.693 207 1HB GLN 26 1HB GLN 26 120.117 74.280 43.269 208 2HB GLN 26 2HB GLN 26 119.529 74.920 41.735 209 1HG GLN 26 1HG GLN 26 117.349 75.463 42.932 210 2HG GLN 26 2HG GLN 26 118.183 75.088 44.440 211 1HE2 GLN 26 2HE2 GLN 26 118.387 77.238 41.568 212 2HE2 GLN 26 1HE2 GLN 26 119.233 78.475 42.365 213 HA PRO 27 HA PRO 27 119.267 71.187 38.820 214 1HB PRO 27 1HB PRO 27 117.352 69.254 38.503 215 2HB PRO 27 2HB PRO 27 118.847 68.993 39.424 216 1HG PRO 27 1HG PRO 27 116.105 69.625 40.407 217 2HG PRO 27 2HG PRO 27 117.306 68.498 41.060 218 1HD PRO 27 1HD PRO 27 116.865 70.949 42.129 219 2HD PRO 27 2HD PRO 27 118.453 70.151 42.169 220 HA PRO 28 HA PRO 28 116.333 73.476 36.459 221 1HB PRO 28 1HB PRO 28 116.645 72.356 33.982 222 2HB PRO 28 2HB PRO 28 117.849 73.438 34.711 223 1HG PRO 28 1HG PRO 28 117.837 70.465 34.535 224 2HG PRO 28 2HG PRO 28 119.184 71.601 34.353 225 1HD PRO 28 1HD PRO 28 118.738 70.169 36.623 226 2HD PRO 28 2HD PRO 28 119.529 71.759 36.611 227 H ASP 29 H ASP 29 116.232 69.944 36.222 228 HA ASP 29 HA ASP 29 113.274 70.117 35.733 229 1HB ASP 29 1HB ASP 29 115.380 68.104 34.888 230 2HB ASP 29 2HB ASP 29 113.651 67.853 34.658 231 H LEU 30 H LEU 30 112.108 69.425 37.480 232 HA LEU 30 HA LEU 30 113.418 67.938 39.662 233 1HB LEU 30 1HB LEU 30 111.845 69.850 39.990 234 2HB LEU 30 2HB LEU 30 110.561 68.887 39.260 235 HG LEU 30 HG LEU 30 111.215 67.115 41.073 236 1HD1 LEU 30 1HD1 LEU 30 113.129 68.990 41.664 237 2HD1 LEU 30 2HD1 LEU 30 111.870 69.392 42.831 238 3HD1 LEU 30 3HD1 LEU 30 112.552 67.766 42.794 239 1HD2 LEU 30 1HD2 LEU 30 109.202 68.911 40.849 240 2HD2 LEU 30 2HD2 LEU 30 109.352 67.811 42.218 241 3HD2 LEU 30 3HD2 LEU 30 109.930 69.471 42.355 242 H VAL 31 H VAL 31 110.928 67.376 37.187 243 HA VAL 31 HA VAL 31 109.857 64.912 38.004 244 HB VAL 31 HB VAL 31 110.685 65.786 35.215 245 1HG1 VAL 31 1HG1 VAL 31 109.094 63.556 36.299 246 2HG1 VAL 31 2HG1 VAL 31 108.264 64.479 35.046 247 3HG1 VAL 31 3HG1 VAL 31 109.830 63.745 34.708 248 1HG2 VAL 31 1HG2 VAL 31 108.825 66.917 37.113 249 2HG2 VAL 31 2HG2 VAL 31 109.208 67.473 35.483 250 3HG2 VAL 31 3HG2 VAL 31 107.937 66.276 35.730 251 H ASP 32 H ASP 32 112.626 65.343 35.787 252 HA ASP 32 HA ASP 32 113.426 62.606 35.736 253 1HB ASP 32 1HB ASP 32 114.004 64.757 34.323 254 2HB ASP 32 2HB ASP 32 115.333 64.913 35.474 255 H PHE 33 H PHE 33 114.351 65.306 37.863 256 HA PHE 33 HA PHE 33 116.479 63.957 39.240 257 1HB PHE 33 1HB PHE 33 116.080 66.393 39.252 258 2HB PHE 33 2HB PHE 33 114.564 66.144 40.118 259 HD1 PHE 33 HD1 PHE 33 118.220 65.273 40.371 260 HD2 PHE 33 HD2 PHE 33 114.568 66.247 42.461 261 HE1 PHE 33 HE1 PHE 33 119.455 65.263 42.536 262 HE2 PHE 33 HE2 PHE 33 115.806 66.233 44.627 263 HZ PHE 33 HZ PHE 33 118.248 65.744 44.663 264 H ALA 34 H ALA 34 112.991 64.268 39.932 265 HA ALA 34 HA ALA 34 112.920 62.921 42.426 266 1HB ALA 34 1HB ALA 34 111.157 64.045 40.582 267 2HB ALA 34 2HB ALA 34 110.674 62.351 40.638 268 3HB ALA 34 3HB ALA 34 110.704 63.307 42.119 269 H VAL 35 H VAL 35 112.877 61.631 39.103 270 HA VAL 35 HA VAL 35 112.389 58.891 39.840 271 HB VAL 35 HB VAL 35 113.705 60.197 37.436 272 1HG1 VAL 35 1HG1 VAL 35 113.014 57.404 38.122 273 2HG1 VAL 35 2HG1 VAL 35 112.501 57.938 36.521 274 3HG1 VAL 35 3HG1 VAL 35 114.203 58.022 36.976 275 1HG2 VAL 35 1HG2 VAL 35 111.353 60.921 38.044 276 2HG2 VAL 35 2HG2 VAL 35 111.501 60.172 36.453 277 3HG2 VAL 35 3HG2 VAL 35 110.851 59.248 37.807 278 H GLU 36 H GLU 36 115.389 60.632 38.926 279 HA GLU 36 HA GLU 36 117.195 58.468 39.294 280 1HB GLU 36 1HB GLU 36 117.457 61.476 39.578 281 2HB GLU 36 2HB GLU 36 118.840 60.381 39.554 282 1HG GLU 36 1HG GLU 36 117.109 59.721 37.362 283 2HG GLU 36 2HG GLU 36 117.433 61.455 37.326 284 H TYR 37 H TYR 37 115.640 60.581 41.629 285 HA TYR 37 HA TYR 37 117.462 60.003 43.825 286 1HB TYR 37 1HB TYR 37 116.155 62.048 43.744 287 2HB TYR 37 2HB TYR 37 114.653 61.133 43.619 288 HD1 TYR 37 HD1 TYR 37 117.624 60.515 45.826 289 HD2 TYR 37 HD2 TYR 37 113.463 61.650 45.605 290 HE1 TYR 37 HE1 TYR 37 117.467 60.424 48.312 291 HE2 TYR 37 HE2 TYR 37 113.307 61.557 48.091 292 HH TYR 37 HH TYR 37 115.984 61.488 50.107 293 H PHE 38 H PHE 38 113.979 59.213 43.564 294 HA PHE 38 HA PHE 38 113.978 57.163 45.517 295 1HB PHE 38 1HB PHE 38 112.284 57.838 43.113 296 2HB PHE 38 2HB PHE 38 111.878 56.479 44.160 297 HD1 PHE 38 HD1 PHE 38 111.890 56.997 46.763 298 HD2 PHE 38 HD2 PHE 38 111.473 59.972 43.660 299 HE1 PHE 38 HE1 PHE 38 110.849 58.563 48.401 300 HE2 PHE 38 HE2 PHE 38 110.435 61.537 45.299 301 HZ PHE 38 HZ PHE 38 110.123 60.832 47.670 302 H THR 39 H THR 39 114.247 56.854 41.950 303 HA THR 39 HA THR 39 114.380 54.060 41.726 304 HB THR 39 HB THR 39 115.919 56.230 40.269 305 HG1 THR 39 HG1 THR 39 113.786 56.579 40.008 306 1HG2 THR 39 1HG2 THR 39 116.802 53.880 39.965 307 2HG2 THR 39 2HG2 THR 39 115.229 53.454 39.293 308 3HG2 THR 39 3HG2 THR 39 116.237 54.654 38.484 309 H ARG 40 H ARG 40 117.064 56.331 42.403 310 HA ARG 40 HA ARG 40 119.053 54.228 42.672 311 1HB ARG 40 1HB ARG 40 119.477 56.615 42.040 312 2HB ARG 40 2HB ARG 40 119.017 57.095 43.673 313 1HG ARG 40 1HG ARG 40 120.939 56.249 44.617 314 2HG ARG 40 2HG ARG 40 121.094 54.971 43.410 315 1HD ARG 40 1HD ARG 40 122.656 56.256 42.382 316 2HD ARG 40 2HD ARG 40 121.359 57.400 41.984 317 HE ARG 40 HE ARG 40 122.577 57.554 44.693 318 1HH1 ARG 40 1HH2 ARG 40 124.071 58.584 42.110 319 2HH1 ARG 40 2HH2 ARG 40 123.734 60.277 42.250 320 1HH2 ARG 40 1HH1 ARG 40 121.260 59.855 44.643 321 2HH2 ARG 40 2HH1 ARG 40 122.144 60.997 43.687 322 H LEU 41 H LEU 41 116.760 55.804 44.809 323 HA LEU 41 HA LEU 41 117.864 55.323 47.355 324 1HB LEU 41 1HB LEU 41 115.554 56.317 46.350 325 2HB LEU 41 2HB LEU 41 114.972 54.752 46.920 326 HG LEU 41 HG LEU 41 116.339 55.388 49.092 327 1HD1 LEU 41 1HD1 LEU 41 116.061 57.943 47.565 328 2HD1 LEU 41 2HD1 LEU 41 115.828 57.997 49.313 329 3HD1 LEU 41 3HD1 LEU 41 117.354 57.417 48.644 330 1HD2 LEU 41 1HD2 LEU 41 113.604 56.069 48.164 331 2HD2 LEU 41 2HD2 LEU 41 114.114 55.129 49.566 332 3HD2 LEU 41 3HD2 LEU 41 114.141 56.892 49.628 333 H ARG 42 H ARG 42 116.173 53.100 45.166 334 HA ARG 42 HA ARG 42 115.836 50.891 46.926 335 1HB ARG 42 1HB ARG 42 115.726 51.533 44.101 336 2HB ARG 42 2HB ARG 42 116.424 49.931 44.337 337 1HG ARG 42 1HG ARG 42 114.372 49.105 44.735 338 2HG ARG 42 2HG ARG 42 114.223 50.174 46.130 339 1HD ARG 42 1HD ARG 42 112.378 50.579 44.532 340 2HD ARG 42 2HD ARG 42 113.441 51.999 44.612 341 HE ARG 42 HE ARG 42 113.975 51.582 42.356 342 1HH1 ARG 42 1HH1 ARG 42 111.724 49.317 42.860 343 2HH1 ARG 42 2HH1 ARG 42 112.459 48.042 41.944 344 1HH2 ARG 42 1HH2 ARG 42 115.510 49.661 41.640 345 2HH2 ARG 42 2HH2 ARG 42 114.602 48.237 41.256 346 H GLU 43 H GLU 43 118.585 51.795 44.837 347 HA GLU 43 HA GLU 43 120.174 49.482 45.725 348 1HB GLU 43 1HB GLU 43 120.386 51.764 43.803 349 2HB GLU 43 2HB GLU 43 121.881 50.979 44.315 350 1HG GLU 43 1HG GLU 43 119.599 49.234 43.491 351 2HG GLU 43 2HG GLU 43 120.498 50.072 42.225 352 H ALA 44 H ALA 44 119.634 52.734 46.782 353 HA ALA 44 HA ALA 44 122.127 53.476 47.889 354 1HB ALA 44 1HB ALA 44 119.385 54.240 47.997 355 2HB ALA 44 2HB ALA 44 119.959 54.128 49.662 356 3HB ALA 44 3HB ALA 44 120.784 55.184 48.510 357 H ARG 45 H ARG 45 119.432 52.134 49.803 358 HA ARG 45 HA ARG 45 120.802 51.481 52.119 359 1HB ARG 45 1HB ARG 45 118.295 51.147 51.091 360 2HB ARG 45 2HB ARG 45 118.844 49.473 51.173 361 1HG ARG 45 1HG ARG 45 117.802 49.969 53.283 362 2HG ARG 45 2HG ARG 45 119.543 49.923 53.567 363 1HD ARG 45 1HD ARG 45 119.196 52.560 52.903 364 2HD ARG 45 2HD ARG 45 117.678 52.207 53.754 365 HE ARG 45 HE ARG 45 120.406 51.853 54.908 366 1HH1 ARG 45 1HH1 ARG 45 117.889 50.066 55.632 367 2HH1 ARG 45 2HH1 ARG 45 117.467 50.796 57.145 368 1HH2 ARG 45 1HH2 ARG 45 119.476 53.581 56.664 369 2HH2 ARG 45 2HH2 ARG 45 118.364 52.786 57.729 370 H ARG 46 H ARG 46 120.426 49.399 49.241 371 HA ARG 46 HA ARG 46 122.030 47.235 50.345 372 1HB ARG 46 1HB ARG 46 120.151 47.300 48.520 373 2HB ARG 46 2HB ARG 46 121.471 47.709 47.423 374 1HG ARG 46 1HG ARG 46 122.666 45.676 48.028 375 2HG ARG 46 2HG ARG 46 121.455 45.288 49.249 376 1HD ARG 46 1HD ARG 46 120.809 45.579 46.295 377 2HD ARG 46 2HD ARG 46 121.126 44.023 47.090 378 HE ARG 46 HE ARG 46 118.687 45.539 47.339 379 1HH1 ARG 46 1HH2 ARG 46 118.967 42.594 47.886 380 2HH1 ARG 46 2HH2 ARG 46 118.714 42.523 49.598 381 1HH2 ARG 46 1HH1 ARG 46 119.226 45.919 50.081 382 2HH2 ARG 46 2HH1 ARG 46 118.860 44.407 50.841 383 1H HIS 1 1H HIS 1 129.620 80.660 54.061 384 2H HIS 1 2H HIS 1 130.245 79.141 54.496 385 3H HIS 1 3H HIS 1 128.850 79.245 53.532 386 HA HIS 1 HA HIS 1 128.258 78.676 55.817 387 1HB HIS 1 1HB HIS 1 130.442 80.222 56.347 388 2HB HIS 1 2HB HIS 1 129.146 81.350 56.745 389 HD1 HIS 1 HD1 HIS 1 127.070 79.754 58.095 390 HD2 HIS 1 HD2 HIS 1 131.114 78.924 58.682 391 HE1 HIS 1 HE1 HIS 1 127.231 78.485 60.280 392 H MET 2 H MET 2 126.627 79.321 53.876 393 HA MET 2 HA MET 2 125.237 81.869 54.620 394 1HB MET 2 1HB MET 2 125.886 80.443 52.146 395 2HB MET 2 2HB MET 2 124.184 80.900 52.230 396 1HG MET 2 1HG MET 2 125.066 83.223 52.981 397 2HG MET 2 2HG MET 2 126.616 82.679 52.335 398 1HE MET 2 1HE MET 2 127.374 82.893 50.428 399 2HE MET 2 2HE MET 2 126.620 81.619 49.471 400 3HE MET 2 3HE MET 2 126.617 83.277 48.876 401 H GLY 3 H GLY 3 123.724 81.281 56.174 402 1HA GLY 3 1HA GLY 3 122.154 78.792 55.750 403 2HA GLY 3 2HA GLY 3 122.214 79.718 57.250 404 H HIS 4 H HIS 4 120.576 79.313 54.241 405 HA HIS 4 HA HIS 4 118.598 81.380 55.082 406 1HB HIS 4 1HB HIS 4 120.518 81.966 53.280 407 2HB HIS 4 2HB HIS 4 119.331 81.235 52.199 408 HD1 HIS 4 HD1 HIS 4 119.915 84.215 54.376 409 HD2 HIS 4 HD2 HIS 4 116.847 82.666 52.017 410 HE1 HIS 4 HE1 HIS 4 118.205 86.066 54.118 411 H ILE 5 H ILE 5 116.468 80.959 54.243 412 HA ILE 5 HA ILE 5 116.146 78.246 52.999 413 HB ILE 5 HB ILE 5 115.462 78.464 55.386 414 1HG1 ILE 5 1HG1 ILE 5 112.867 77.983 54.765 415 2HG1 ILE 5 2HG1 ILE 5 113.596 77.813 53.168 416 1HG2 ILE 5 1HG2 ILE 5 114.558 80.970 54.583 417 2HG2 ILE 5 2HG2 ILE 5 113.072 80.050 54.825 418 3HG2 ILE 5 3HG2 ILE 5 114.237 80.205 56.140 419 1HD1 ILE 5 1HD1 ILE 5 115.338 76.303 54.307 420 2HD1 ILE 5 2HD1 ILE 5 114.234 76.266 55.682 421 3HD1 ILE 5 3HD1 ILE 5 113.715 75.640 54.118 422 H GLN 6 H GLN 6 114.497 78.061 51.384 423 HA GLN 6 HA GLN 6 112.744 80.252 50.662 424 1HB GLN 6 1HB GLN 6 115.443 80.462 49.908 425 2HB GLN 6 2HB GLN 6 114.598 79.961 48.443 426 1HG GLN 6 1HG GLN 6 112.864 81.820 49.234 427 2HG GLN 6 2HG GLN 6 114.289 82.465 50.048 428 1HE2 GLN 6 2HE2 GLN 6 114.469 84.293 48.570 429 2HE2 GLN 6 1HE2 GLN 6 114.963 84.086 46.958 430 H ILE 7 H ILE 7 111.243 78.468 50.551 431 HA ILE 7 HA ILE 7 111.746 76.300 48.607 432 HB ILE 7 HB ILE 7 109.659 77.001 50.676 433 1HG1 ILE 7 1HG1 ILE 7 110.350 74.740 51.523 434 2HG1 ILE 7 2HG1 ILE 7 111.536 74.663 50.222 435 1HG2 ILE 7 1HG2 ILE 7 109.423 75.064 48.393 436 2HG2 ILE 7 2HG2 ILE 7 108.739 74.625 49.958 437 3HG2 ILE 7 3HG2 ILE 7 108.181 76.078 49.129 438 1HD1 ILE 7 1HD1 ILE 7 111.473 77.012 52.106 439 2HD1 ILE 7 2HD1 ILE 7 112.322 75.528 52.541 440 3HD1 ILE 7 3HD1 ILE 7 112.807 76.433 51.107 441 HA PRO 8 HA PRO 8 109.726 79.014 45.600 442 1HB PRO 8 1HB PRO 8 110.325 77.488 43.414 443 2HB PRO 8 2HB PRO 8 111.479 78.615 44.155 444 1HG PRO 8 1HG PRO 8 111.271 75.663 44.439 445 2HG PRO 8 2HG PRO 8 112.709 76.686 44.310 446 1HD PRO 8 1HD PRO 8 111.813 75.660 46.665 447 2HD PRO 8 2HD PRO 8 112.714 77.189 46.545 448 HA PRO 9 HA PRO 9 105.934 76.803 45.165 449 1HB PRO 9 1HB PRO 9 104.817 78.101 43.033 450 2HB PRO 9 2HB PRO 9 104.946 78.831 44.647 451 1HG PRO 9 1HG PRO 9 106.606 79.281 42.226 452 2HG PRO 9 2HG PRO 9 106.095 80.425 43.476 453 1HD PRO 9 1HD PRO 9 108.599 79.301 43.329 454 2HD PRO 9 2HD PRO 9 107.870 79.941 44.818 455 H GLY 10 H GLY 10 104.718 75.403 43.599 456 1HA GLY 10 1HA GLY 10 104.608 74.249 41.447 457 2HA GLY 10 2HA GLY 10 106.325 74.584 41.224 458 H LEU 11 H LEU 11 106.776 73.822 44.133 459 HA LEU 11 HA LEU 11 107.193 70.953 43.627 460 1HB LEU 11 1HB LEU 11 108.420 73.048 45.062 461 2HB LEU 11 2HB LEU 11 107.855 71.907 46.283 462 HG LEU 11 HG LEU 11 109.246 70.839 43.854 463 1HD1 LEU 11 1HD1 LEU 11 110.429 72.605 45.896 464 2HD1 LEU 11 2HD1 LEU 11 111.276 71.072 45.690 465 3HD1 LEU 11 3HD1 LEU 11 111.049 72.145 44.310 466 1HD2 LEU 11 1HD2 LEU 11 108.942 70.066 46.764 467 2HD2 LEU 11 2HD2 LEU 11 108.356 69.199 45.345 468 3HD2 LEU 11 3HD2 LEU 11 110.085 69.259 45.690 469 H THR 12 H THR 12 104.912 72.970 45.300 470 HA THR 12 HA THR 12 104.022 70.970 47.224 471 HB THR 12 HB THR 12 102.814 73.537 46.147 472 HG1 THR 12 HG1 THR 12 104.380 72.879 48.408 473 1HG2 THR 12 1HG2 THR 12 101.907 71.565 48.189 474 2HG2 THR 12 2HG2 THR 12 101.709 73.275 48.572 475 3HG2 THR 12 3HG2 THR 12 100.956 72.602 47.126 476 H GLU 13 H GLU 13 102.751 72.218 44.128 477 HA GLU 13 HA GLU 13 100.369 70.713 43.972 478 1HB GLU 13 1HB GLU 13 102.316 71.968 42.090 479 2HB GLU 13 2HB GLU 13 101.127 70.866 41.394 480 1HG GLU 13 1HG GLU 13 99.896 72.816 41.331 481 2HG GLU 13 2HG GLU 13 99.473 72.273 42.955 482 H LEU 14 H LEU 14 103.525 69.853 42.493 483 HA LEU 14 HA LEU 14 102.880 67.264 41.605 484 1HB LEU 14 1HB LEU 14 105.329 68.732 42.495 485 2HB LEU 14 2HB LEU 14 105.466 66.992 42.240 486 HG LEU 14 HG LEU 14 104.213 68.811 40.179 487 1HD1 LEU 14 1HD1 LEU 14 106.528 69.577 40.636 488 2HD1 LEU 14 2HD1 LEU 14 107.112 67.934 40.365 489 3HD1 LEU 14 3HD1 LEU 14 106.390 68.844 39.038 490 1HD2 LEU 14 1HD2 LEU 14 104.058 66.167 40.323 491 2HD2 LEU 14 2HD2 LEU 14 104.333 66.962 38.772 492 3HD2 LEU 14 3HD2 LEU 14 105.687 66.252 39.651 493 H LEU 15 H LEU 15 104.413 68.125 44.737 494 HA LEU 15 HA LEU 15 104.432 65.536 45.875 495 1HB LEU 15 1HB LEU 15 104.575 68.355 46.735 496 2HB LEU 15 2HB LEU 15 104.027 67.246 47.992 497 HG LEU 15 HG LEU 15 105.998 65.813 47.587 498 1HD1 LEU 15 1HD1 LEU 15 106.558 67.914 45.488 499 2HD1 LEU 15 2HD1 LEU 15 107.842 66.904 46.153 500 3HD1 LEU 15 3HD1 LEU 15 106.494 66.162 45.291 501 1HD2 LEU 15 1HD2 LEU 15 106.520 68.750 48.115 502 2HD2 LEU 15 2HD2 LEU 15 106.260 67.475 49.306 503 3HD2 LEU 15 3HD2 LEU 15 107.742 67.501 48.349 504 H GLN 16 H GLN 16 101.859 68.012 45.894 505 HA GLN 16 HA GLN 16 100.029 66.756 47.653 506 1HB GLN 16 1HB GLN 16 100.144 68.935 45.861 507 2HB GLN 16 2HB GLN 16 98.738 67.991 45.367 508 1HG GLN 16 1HG GLN 16 97.734 68.157 47.510 509 2HG GLN 16 2HG GLN 16 99.237 68.697 48.261 510 1HE2 GLN 16 2HE2 GLN 16 98.358 70.731 49.016 511 2HE2 GLN 16 1HE2 GLN 16 97.919 71.974 47.946 512 H GLY 17 H GLY 17 100.565 66.243 44.159 513 1HA GLY 17 1HA GLY 17 98.391 64.500 43.653 514 2HA GLY 17 2HA GLY 17 99.929 64.441 42.787 515 H TYR 18 H TYR 18 101.744 63.656 44.593 516 HA TYR 18 HA TYR 18 101.529 60.891 44.874 517 1HB TYR 18 1HB TYR 18 103.383 62.772 45.349 518 2HB TYR 18 2HB TYR 18 102.883 62.480 47.015 519 HD1 TYR 18 HD1 TYR 18 103.181 60.204 44.050 520 HD2 TYR 18 HD2 TYR 18 104.495 61.125 48.054 521 HE1 TYR 18 HE1 TYR 18 104.541 58.109 44.084 522 HE2 TYR 18 HE2 TYR 18 105.857 59.035 48.094 523 HH TYR 18 HH TYR 18 106.746 57.390 46.755 524 H THR 19 H THR 19 100.741 63.355 47.344 525 HA THR 19 HA THR 19 99.916 61.664 49.441 526 HB THR 19 HB THR 19 98.938 64.376 48.495 527 HG1 THR 19 HG1 THR 19 100.893 63.501 50.347 528 1HG2 THR 19 1HG2 THR 19 98.532 62.941 51.129 529 2HG2 THR 19 2HG2 THR 19 98.258 64.668 50.898 530 3HG2 THR 19 3HG2 THR 19 97.281 63.496 50.014 531 H VAL 20 H VAL 20 98.177 62.665 46.521 532 HA VAL 20 HA VAL 20 95.615 61.550 47.406 533 HB VAL 20 HB VAL 20 96.669 62.522 44.730 534 1HG1 VAL 20 1HG1 VAL 20 94.183 61.229 45.501 535 2HG1 VAL 20 2HG1 VAL 20 93.887 62.853 44.881 536 3HG1 VAL 20 3HG1 VAL 20 94.753 61.676 43.893 537 1HG2 VAL 20 1HG2 VAL 20 95.000 63.877 46.874 538 2HG2 VAL 20 2HG2 VAL 20 96.678 64.250 46.482 539 3HG2 VAL 20 3HG2 VAL 20 95.404 64.578 45.307 540 H GLU 21 H GLU 21 98.423 60.408 45.647 541 HA GLU 21 HA GLU 21 96.999 58.045 44.563 542 1HB GLU 21 1HB GLU 21 99.984 58.283 44.574 543 2HB GLU 21 2HB GLU 21 98.918 57.733 43.288 544 1HG GLU 21 1HG GLU 21 98.166 60.337 43.455 545 2HG GLU 21 2HG GLU 21 99.861 60.464 43.928 546 H VAL 22 H VAL 22 99.851 58.566 46.637 547 HA VAL 22 HA VAL 22 100.213 55.976 47.618 548 HB VAL 22 HB VAL 22 100.475 58.630 49.070 549 1HG1 VAL 22 1HG1 VAL 22 101.874 55.968 49.434 550 2HG1 VAL 22 2HG1 VAL 22 102.290 57.457 50.283 551 3HG1 VAL 22 3HG1 VAL 22 100.722 56.697 50.554 552 1HG2 VAL 22 1HG2 VAL 22 102.167 57.193 47.030 553 2HG2 VAL 22 2HG2 VAL 22 101.704 58.894 47.076 554 3HG2 VAL 22 3HG2 VAL 22 102.912 58.278 48.203 555 H LEU 23 H LEU 23 97.987 58.493 48.837 556 HA LEU 23 HA LEU 23 97.023 56.853 51.048 557 1HB LEU 23 1HB LEU 23 97.087 59.380 50.890 558 2HB LEU 23 2HB LEU 23 95.768 59.276 49.722 559 HG LEU 23 HG LEU 23 94.617 57.811 51.578 560 1HD1 LEU 23 1HD1 LEU 23 96.594 59.470 53.175 561 2HD1 LEU 23 2HD1 LEU 23 95.259 58.539 53.856 562 3HD1 LEU 23 3HD1 LEU 23 96.591 57.710 53.048 563 1HD2 LEU 23 1HD2 LEU 23 94.016 60.157 50.714 564 2HD2 LEU 23 2HD2 LEU 23 93.468 59.753 52.341 565 3HD2 LEU 23 3HD2 LEU 23 94.887 60.775 52.117 566 H ARG 24 H ARG 24 95.950 57.541 47.734 567 HA ARG 24 HA ARG 24 93.389 56.175 48.026 568 1HB ARG 24 1HB ARG 24 93.841 58.018 46.434 569 2HB ARG 24 2HB ARG 24 95.014 57.000 45.598 570 1HG ARG 24 1HG ARG 24 93.298 56.291 44.313 571 2HG ARG 24 2HG ARG 24 92.729 55.410 45.732 572 1HD ARG 24 1HD ARG 24 91.940 58.157 46.012 573 2HD ARG 24 2HD ARG 24 91.432 57.578 44.413 574 HE ARG 24 HE ARG 24 90.750 55.466 46.002 575 1HH1 ARG 24 1HH1 ARG 24 90.717 57.522 48.258 576 2HH1 ARG 24 2HH1 ARG 24 89.045 57.974 48.270 577 1HH2 ARG 24 1HH2 ARG 24 88.384 56.622 45.146 578 2HH2 ARG 24 2HH2 ARG 24 87.724 57.466 46.507 579 H GLN 25 H GLN 25 96.470 55.366 46.372 580 HA GLN 25 HA GLN 25 95.591 52.674 45.696 581 1HB GLN 25 1HB GLN 25 98.244 54.138 45.692 582 2HB GLN 25 2HB GLN 25 98.046 52.502 45.065 583 1HG GLN 25 1HG GLN 25 96.251 54.728 44.118 584 2HG GLN 25 2HG GLN 25 97.845 54.493 43.399 585 1HE2 GLN 25 2HE2 GLN 25 98.269 52.320 42.393 586 2HE2 GLN 25 1HE2 GLN 25 96.961 51.410 41.806 587 H GLN 26 H GLN 26 97.596 54.116 48.246 588 HA GLN 26 HA GLN 26 98.462 53.178 50.237 589 1HB GLN 26 1HB GLN 26 95.782 52.221 49.690 590 2HB GLN 26 2HB GLN 26 96.691 51.010 50.596 591 1HG GLN 26 1HG GLN 26 97.387 52.886 52.170 592 2HG GLN 26 2HG GLN 26 96.188 53.895 51.359 593 1HE2 GLN 26 2HE2 GLN 26 96.512 50.813 53.177 594 2HE2 GLN 26 1HE2 GLN 26 94.913 50.805 53.746 595 HA PRO 27 HA PRO 27 100.135 49.560 47.675 596 1HB PRO 27 1HB PRO 27 102.578 50.635 47.060 597 2HB PRO 27 2HB PRO 27 101.151 50.811 46.016 598 1HG PRO 27 1HG PRO 27 102.316 52.738 47.970 599 2HG PRO 27 2HG PRO 27 101.648 53.034 46.356 600 1HD PRO 27 1HD PRO 27 100.263 53.540 48.630 601 2HD PRO 27 2HD PRO 27 99.478 53.051 47.111 602 HA PRO 28 HA PRO 28 102.383 48.294 51.247 603 1HB PRO 28 1HB PRO 28 103.956 46.306 50.211 604 2HB PRO 28 2HB PRO 28 102.211 46.119 50.478 605 1HG PRO 28 1HG PRO 28 103.688 46.696 47.959 606 2HG PRO 28 2HG PRO 28 102.276 45.664 48.229 607 1HD PRO 28 1HD PRO 28 102.122 48.167 47.167 608 2HD PRO 28 2HD PRO 28 100.808 47.412 48.093 609 H ASP 29 H ASP 29 104.235 49.013 48.312 610 HA ASP 29 HA ASP 29 106.523 49.892 50.047 611 1HB ASP 29 1HB ASP 29 106.403 48.720 47.251 612 2HB ASP 29 2HB ASP 29 107.876 49.367 47.972 613 H LEU 30 H LEU 30 106.791 52.084 50.014 614 HA LEU 30 HA LEU 30 105.420 53.728 47.988 615 1HB LEU 30 1HB LEU 30 105.479 54.247 50.429 616 2HB LEU 30 2HB LEU 30 107.229 54.441 50.321 617 HG LEU 30 HG LEU 30 106.660 56.137 48.408 618 1HD1 LEU 30 1HD1 LEU 30 104.103 55.311 48.967 619 2HD1 LEU 30 2HD1 LEU 30 104.218 56.783 49.931 620 3HD1 LEU 30 3HD1 LEU 30 104.509 56.843 48.192 621 1HD2 LEU 30 1HD2 LEU 30 107.379 56.412 51.003 622 2HD2 LEU 30 2HD2 LEU 30 107.080 57.790 49.944 623 3HD2 LEU 30 3HD2 LEU 30 105.818 57.232 51.042 624 H VAL 31 H VAL 31 108.747 52.884 48.915 625 HA VAL 31 HA VAL 31 110.251 54.675 47.363 626 HB VAL 31 HB VAL 31 110.677 51.693 47.760 627 1HG1 VAL 31 1HG1 VAL 31 112.313 53.888 46.675 628 2HG1 VAL 31 2HG1 VAL 31 113.119 52.958 47.939 629 3HG1 VAL 31 3HG1 VAL 31 112.510 52.144 46.497 630 1HG2 VAL 31 1HG2 VAL 31 110.506 53.876 49.640 631 2HG2 VAL 31 2HG2 VAL 31 110.816 52.169 49.961 632 3HG2 VAL 31 3HG2 VAL 31 112.158 53.258 49.611 633 H ASP 32 H ASP 32 109.205 51.416 46.340 634 HA ASP 32 HA ASP 32 109.938 51.688 43.598 635 1HB ASP 32 1HB ASP 32 109.250 49.683 45.166 636 2HB ASP 32 2HB ASP 32 107.628 50.024 44.562 637 H PHE 33 H PHE 33 106.910 52.421 45.324 638 HA PHE 33 HA PHE 33 105.306 52.970 43.005 639 1HB PHE 33 1HB PHE 33 104.445 52.563 45.285 640 2HB PHE 33 2HB PHE 33 105.205 54.055 45.841 641 HD1 PHE 33 HD1 PHE 33 102.858 52.830 43.163 642 HD2 PHE 33 HD2 PHE 33 103.946 56.034 45.847 643 HE1 PHE 33 HE1 PHE 33 100.859 54.126 42.427 644 HE2 PHE 33 HE2 PHE 33 101.949 57.330 45.106 645 HZ PHE 33 HZ PHE 33 100.406 56.376 43.399 646 H ALA 34 H ALA 34 107.303 55.067 45.093 647 HA ALA 34 HA ALA 34 106.709 57.567 43.901 648 1HB ALA 34 1HB ALA 34 108.393 56.503 45.850 649 2HB ALA 34 2HB ALA 34 109.509 57.188 44.669 650 3HB ALA 34 3HB ALA 34 108.277 58.208 45.413 651 H VAL 35 H VAL 35 109.062 55.061 42.946 652 HA VAL 35 HA VAL 35 110.319 56.596 40.860 653 HB VAL 35 HB VAL 35 110.007 53.616 41.349 654 1HG1 VAL 35 1HG1 VAL 35 111.452 55.212 39.322 655 2HG1 VAL 35 2HG1 VAL 35 112.393 53.937 40.095 656 3HG1 VAL 35 3HG1 VAL 35 110.894 53.541 39.253 657 1HG2 VAL 35 1HG2 VAL 35 111.052 55.024 43.183 658 2HG2 VAL 35 2HG2 VAL 35 112.104 53.772 42.524 659 3HG2 VAL 35 3HG2 VAL 35 112.320 55.453 42.033 660 H GLU 36 H GLU 36 107.817 54.025 40.777 661 HA GLU 36 HA GLU 36 107.346 54.058 37.973 662 1HB GLU 36 1HB GLU 36 105.600 53.439 40.373 663 2HB GLU 36 2HB GLU 36 105.135 53.064 38.713 664 1HG GLU 36 1HG GLU 36 107.813 52.130 39.150 665 2HG GLU 36 2HG GLU 36 106.784 51.525 40.447 666 H TYR 37 H TYR 37 106.267 56.236 40.510 667 HA TYR 37 HA TYR 37 104.102 57.439 38.979 668 1HB TYR 37 1HB TYR 37 104.118 57.451 41.407 669 2HB TYR 37 2HB TYR 37 105.688 58.251 41.434 670 HD1 TYR 37 HD1 TYR 37 102.713 58.954 39.260 671 HD2 TYR 37 HD2 TYR 37 105.276 60.361 42.436 672 HE1 TYR 37 HE1 TYR 37 101.591 61.178 39.180 673 HE2 TYR 37 HE2 TYR 37 104.155 62.585 42.356 674 HH TYR 37 HH TYR 37 101.232 63.121 40.811 675 H PHE 38 H PHE 38 107.108 58.984 40.164 676 HA PHE 38 HA PHE 38 107.062 61.167 38.357 677 1HB PHE 38 1HB PHE 38 109.202 59.709 39.910 678 2HB PHE 38 2HB PHE 38 109.591 61.128 38.935 679 HD1 PHE 38 HD1 PHE 38 108.000 63.223 39.282 680 HD2 PHE 38 HD2 PHE 38 108.496 60.015 42.130 681 HE1 PHE 38 HE1 PHE 38 107.166 64.709 41.102 682 HE2 PHE 38 HE2 PHE 38 107.660 61.500 43.949 683 HZ PHE 38 HZ PHE 38 106.995 63.848 43.436 684 H THR 39 H THR 39 108.841 58.058 38.077 685 HA THR 39 HA THR 39 110.176 58.498 35.647 686 HB THR 39 HB THR 39 108.798 56.012 36.713 687 HG1 THR 39 HG1 THR 39 110.297 56.680 38.153 688 1HG2 THR 39 1HG2 THR 39 109.434 55.944 34.266 689 2HG2 THR 39 2HG2 THR 39 111.107 56.188 34.767 690 3HG2 THR 39 3HG2 THR 39 110.237 54.738 35.270 691 H ARG 40 H ARG 40 106.835 57.306 36.126 692 HA ARG 40 HA ARG 40 106.254 57.160 33.281 693 1HB ARG 40 1HB ARG 40 105.153 55.841 35.105 694 2HB ARG 40 2HB ARG 40 104.417 57.331 35.695 695 1HG ARG 40 1HG ARG 40 102.953 57.476 33.923 696 2HG ARG 40 2HG ARG 40 104.065 56.688 32.804 697 1HD ARG 40 1HD ARG 40 102.861 54.786 33.096 698 2HD ARG 40 2HD ARG 40 103.466 54.741 34.764 699 HE ARG 40 HE ARG 40 101.125 56.479 34.170 700 1HH1 ARG 40 1HH2 ARG 40 100.902 53.333 34.340 701 2HH1 ARG 40 2HH2 ARG 40 100.282 53.187 35.950 702 1HH2 ARG 40 1HH1 ARG 40 101.023 56.461 36.817 703 2HH2 ARG 40 2HH1 ARG 40 100.349 54.957 37.352 704 H LEU 41 H LEU 41 106.061 59.637 35.760 705 HA LEU 41 HA LEU 41 104.189 61.442 34.679 706 1HB LEU 41 1HB LEU 41 105.888 61.373 36.783 707 2HB LEU 41 2HB LEU 41 106.756 62.508 35.750 708 HG LEU 41 HG LEU 41 104.361 63.601 35.481 709 1HD1 LEU 41 1HD1 LEU 41 104.139 61.789 37.847 710 2HD1 LEU 41 2HD1 LEU 41 103.390 63.382 37.958 711 3HD1 LEU 41 3HD1 LEU 41 102.905 62.266 36.681 712 1HD2 LEU 41 1HD2 LEU 41 106.484 63.877 37.537 713 2HD2 LEU 41 2HD2 LEU 41 105.833 65.080 36.423 714 3HD2 LEU 41 3HD2 LEU 41 104.959 64.685 37.902 715 H ARG 42 H ARG 42 107.574 60.879 33.766 716 HA ARG 42 HA ARG 42 107.946 63.092 32.018 717 1HB ARG 42 1HB ARG 42 109.180 60.561 32.709 718 2HB ARG 42 2HB ARG 42 109.307 60.850 30.974 719 1HG ARG 42 1HG ARG 42 110.962 62.323 31.350 720 2HG ARG 42 2HG ARG 42 109.848 63.319 32.289 721 1HD ARG 42 1HD ARG 42 111.806 62.685 33.664 722 2HD ARG 42 2HD ARG 42 110.339 61.917 34.300 723 HE ARG 42 HE ARG 42 111.316 59.849 33.742 724 1HH1 ARG 42 1HH1 ARG 42 113.732 61.860 32.996 725 2HH1 ARG 42 2HH1 ARG 42 114.269 61.063 31.555 726 1HH2 ARG 42 1HH2 ARG 42 111.476 59.023 31.324 727 2HH2 ARG 42 2HH2 ARG 42 112.993 59.455 30.610 728 H GLU 43 H GLU 43 106.632 59.832 31.392 729 HA GLU 43 HA GLU 43 106.116 60.451 28.564 730 1HB GLU 43 1HB GLU 43 105.873 58.141 30.450 731 2HB GLU 43 2HB GLU 43 104.908 58.103 28.974 732 1HG GLU 43 1HG GLU 43 107.789 58.859 28.737 733 2HG GLU 43 2HG GLU 43 107.401 57.160 29.015 734 H ALA 44 H ALA 44 104.430 60.789 31.569 735 HA ALA 44 HA ALA 44 101.726 60.431 30.833 736 1HB ALA 44 1HB ALA 44 103.274 61.566 32.937 737 2HB ALA 44 2HB ALA 44 102.055 62.762 32.481 738 3HB ALA 44 3HB ALA 44 101.562 61.138 32.970 739 H ARG 45 H ARG 45 103.307 63.622 31.064 740 HA ARG 45 HA ARG 45 101.435 65.150 29.711 741 1HB ARG 45 1HB ARG 45 103.922 65.492 30.784 742 2HB ARG 45 2HB ARG 45 104.266 65.729 29.071 743 1HG ARG 45 1HG ARG 45 103.692 67.884 29.980 744 2HG ARG 45 2HG ARG 45 102.323 67.350 29.004 745 1HD ARG 45 1HD ARG 45 101.668 66.277 31.438 746 2HD ARG 45 2HD ARG 45 102.483 67.777 31.923 747 HE ARG 45 HE ARG 45 100.103 67.627 30.132 748 1HH1 ARG 45 1HH1 ARG 45 102.378 69.825 29.932 749 2HH1 ARG 45 2HH1 ARG 45 101.561 71.131 30.723 750 1HH2 ARG 45 1HH2 ARG 45 99.056 69.123 32.033 751 2HH2 ARG 45 2HH2 ARG 45 99.681 70.734 31.912 752 H ARG 46 H ARG 46 104.164 63.376 28.240 753 HA ARG 46 HA ARG 46 103.453 64.127 25.519 754 1HB ARG 46 1HB ARG 46 105.710 63.394 26.635 755 2HB ARG 46 2HB ARG 46 105.132 61.758 26.315 756 1HG ARG 46 1HG ARG 46 104.920 62.244 23.939 757 2HG ARG 46 2HG ARG 46 105.344 63.934 24.214 758 1HD ARG 46 1HD ARG 46 107.191 61.621 24.903 759 2HD ARG 46 2HD ARG 46 107.283 62.543 23.388 760 HE ARG 46 HE ARG 46 108.202 63.486 25.951 761 1HH1 ARG 46 1HH2 ARG 46 109.095 64.560 23.289 762 2HH1 ARG 46 2HH2 ARG 46 108.427 66.157 23.305 763 1HH2 ARG 46 1HH1 ARG 46 106.222 65.497 25.900 764 2HH2 ARG 46 2HH1 ARG 46 106.801 66.689 24.783 Start of MODEL 14 1 1H HIS 1 1H HIS 1 89.126 68.091 67.226 2 2H HIS 1 2H HIS 1 87.524 67.662 67.597 3 3H HIS 1 3H HIS 1 88.314 68.870 68.494 4 HA HIS 1 HA HIS 1 89.799 67.294 69.479 5 1HB HIS 1 1HB HIS 1 86.876 66.490 69.366 6 2HB HIS 1 2HB HIS 1 88.010 65.869 70.566 7 HD1 HIS 1 HD1 HIS 1 85.474 67.864 71.030 8 HD2 HIS 1 HD2 HIS 1 89.516 68.878 71.065 9 HE1 HIS 1 HE1 HIS 1 85.666 69.993 72.388 10 H MET 2 H MET 2 87.456 65.551 67.388 11 HA MET 2 HA MET 2 89.560 63.455 66.963 12 1HB MET 2 1HB MET 2 86.583 63.454 67.321 13 2HB MET 2 2HB MET 2 87.312 62.174 66.349 14 1HG MET 2 1HG MET 2 88.381 62.868 69.084 15 2HG MET 2 2HG MET 2 87.049 61.730 68.879 16 1HE MET 2 1HE MET 2 90.310 62.634 69.050 17 2HE MET 2 2HE MET 2 91.084 61.066 69.313 18 3HE MET 2 3HE MET 2 91.252 61.888 67.763 19 H GLY 3 H GLY 3 90.141 63.027 64.842 20 1HA GLY 3 1HA GLY 3 88.534 64.359 62.696 21 2HA GLY 3 2HA GLY 3 90.298 64.344 62.669 22 H HIS 4 H HIS 4 89.703 63.294 60.477 23 HA HIS 4 HA HIS 4 89.533 60.325 60.875 24 1HB HIS 4 1HB HIS 4 88.309 62.058 58.702 25 2HB HIS 4 2HB HIS 4 88.206 60.299 58.777 26 HD1 HIS 4 HD1 HIS 4 87.070 63.400 60.625 27 HD2 HIS 4 HD2 HIS 4 86.279 59.308 60.565 28 HE1 HIS 4 HE1 HIS 4 85.037 63.042 62.093 29 H ILE 5 H ILE 5 91.906 62.096 60.577 30 HA ILE 5 HA ILE 5 92.881 61.317 57.858 31 HB ILE 5 HB ILE 5 93.891 63.292 59.930 32 1HG1 ILE 5 1HG1 ILE 5 91.741 63.943 58.916 33 2HG1 ILE 5 2HG1 ILE 5 93.040 64.985 58.334 34 1HG2 ILE 5 1HG2 ILE 5 95.208 62.101 57.713 35 2HG2 ILE 5 2HG2 ILE 5 94.824 63.759 57.252 36 3HG2 ILE 5 3HG2 ILE 5 95.771 63.446 58.707 37 1HD1 ILE 5 1HD1 ILE 5 93.183 63.103 56.437 38 2HD1 ILE 5 2HD1 ILE 5 91.487 62.895 56.874 39 3HD1 ILE 5 3HD1 ILE 5 92.066 64.461 56.310 40 H GLN 6 H GLN 6 94.310 59.628 57.750 41 HA GLN 6 HA GLN 6 95.747 58.836 60.264 42 1HB GLN 6 1HB GLN 6 94.678 57.237 57.918 43 2HB GLN 6 2HB GLN 6 95.660 56.544 59.209 44 1HG GLN 6 1HG GLN 6 93.923 57.519 60.832 45 2HG GLN 6 2HG GLN 6 92.901 57.757 59.413 46 1HE2 GLN 6 2HE2 GLN 6 93.439 55.574 61.857 47 2HE2 GLN 6 1HE2 GLN 6 92.961 54.147 61.072 48 H ILE 7 H ILE 7 97.829 59.615 60.016 49 HA ILE 7 HA ILE 7 99.143 59.293 57.342 50 HB ILE 7 HB ILE 7 99.779 61.080 59.710 51 1HG1 ILE 7 1HG1 ILE 7 97.653 61.672 58.608 52 2HG1 ILE 7 2HG1 ILE 7 98.889 62.882 58.259 53 1HG2 ILE 7 1HG2 ILE 7 100.992 60.723 56.973 54 2HG2 ILE 7 2HG2 ILE 7 101.120 62.262 57.824 55 3HG2 ILE 7 3HG2 ILE 7 101.804 60.801 58.536 56 1HD1 ILE 7 1HD1 ILE 7 99.376 61.453 56.143 57 2HD1 ILE 7 2HD1 ILE 7 97.792 60.739 56.447 58 3HD1 ILE 7 3HD1 ILE 7 97.936 62.471 56.147 59 HA PRO 8 HA PRO 8 101.388 56.132 59.649 60 1HB PRO 8 1HB PRO 8 102.765 55.133 57.511 61 2HB PRO 8 2HB PRO 8 101.078 54.705 57.862 62 1HG PRO 8 1HG PRO 8 102.167 56.651 55.896 63 2HG PRO 8 2HG PRO 8 100.807 55.531 55.739 64 1HD PRO 8 1HD PRO 8 100.507 58.193 56.229 65 2HD PRO 8 2HD PRO 8 99.341 56.961 56.764 66 HA PRO 9 HA PRO 9 105.086 58.574 60.084 67 1HB PRO 9 1HB PRO 9 106.397 56.975 61.871 68 2HB PRO 9 2HB PRO 9 105.038 58.020 62.330 69 1HG PRO 9 1HG PRO 9 105.091 55.092 61.845 70 2HG PRO 9 2HG PRO 9 104.157 56.027 63.022 71 1HD PRO 9 1HD PRO 9 103.142 55.028 60.670 72 2HD PRO 9 2HD PRO 9 102.461 56.411 61.553 73 H GLY 10 H GLY 10 107.277 58.476 59.325 74 1HA GLY 10 1HA GLY 10 109.213 57.048 58.655 75 2HA GLY 10 2HA GLY 10 108.040 55.907 57.993 76 H LEU 11 H LEU 11 106.385 58.165 56.915 77 HA LEU 11 HA LEU 11 107.793 58.420 54.352 78 1HB LEU 11 1HB LEU 11 105.105 58.605 55.456 79 2HB LEU 11 2HB LEU 11 105.432 59.936 54.346 80 HG LEU 11 HG LEU 11 106.516 57.626 53.131 81 1HD1 LEU 11 1HD1 LEU 11 104.673 56.717 54.933 82 2HD1 LEU 11 2HD1 LEU 11 103.656 56.984 53.517 83 3HD1 LEU 11 3HD1 LEU 11 105.048 55.906 53.412 84 1HD2 LEU 11 1HD2 LEU 11 104.424 59.647 52.667 85 2HD2 LEU 11 2HD2 LEU 11 105.631 59.004 51.553 86 3HD2 LEU 11 3HD2 LEU 11 104.133 58.118 51.838 87 H THR 12 H THR 12 107.134 60.421 57.158 88 HA THR 12 HA THR 12 107.404 63.021 56.123 89 HB THR 12 HB THR 12 108.546 61.900 58.699 90 HG1 THR 12 HG1 THR 12 106.460 62.370 59.502 91 1HG2 THR 12 1HG2 THR 12 107.908 64.634 57.674 92 2HG2 THR 12 2HG2 THR 12 107.627 64.299 59.383 93 3HG2 THR 12 3HG2 THR 12 109.241 64.104 58.699 94 H GLU 13 H GLU 13 110.047 61.004 57.458 95 HA GLU 13 HA GLU 13 112.222 62.665 56.831 96 1HB GLU 13 1HB GLU 13 111.877 60.270 57.989 97 2HB GLU 13 2HB GLU 13 112.461 59.715 56.419 98 1HG GLU 13 1HG GLU 13 114.381 61.370 56.688 99 2HG GLU 13 2HG GLU 13 113.860 61.565 58.362 100 H LEU 14 H LEU 14 110.836 60.062 54.788 101 HA LEU 14 HA LEU 14 112.511 60.301 52.545 102 1HB LEU 14 1HB LEU 14 109.798 59.357 53.201 103 2HB LEU 14 2HB LEU 14 110.017 59.772 51.501 104 HG LEU 14 HG LEU 14 112.232 58.396 51.715 105 1HD1 LEU 14 1HD1 LEU 14 110.614 57.505 54.110 106 2HD1 LEU 14 2HD1 LEU 14 111.837 56.476 53.365 107 3HD1 LEU 14 3HD1 LEU 14 112.299 58.024 54.071 108 1HD2 LEU 14 1HD2 LEU 14 110.132 57.809 50.414 109 2HD2 LEU 14 2HD2 LEU 14 111.061 56.421 50.982 110 3HD2 LEU 14 3HD2 LEU 14 109.594 56.908 51.830 111 H LEU 15 H LEU 15 109.380 61.982 53.053 112 HA LEU 15 HA LEU 15 109.575 63.628 50.711 113 1HB LEU 15 1HB LEU 15 108.007 63.546 53.263 114 2HB LEU 15 2HB LEU 15 107.904 65.000 52.270 115 HG LEU 15 HG LEU 15 106.136 63.364 51.679 116 1HD1 LEU 15 1HD1 LEU 15 107.506 64.878 49.990 117 2HD1 LEU 15 2HD1 LEU 15 108.056 63.318 49.378 118 3HD1 LEU 15 3HD1 LEU 15 106.335 63.704 49.389 119 1HD2 LEU 15 1HD2 LEU 15 107.428 61.323 52.263 120 2HD2 LEU 15 2HD2 LEU 15 106.771 61.232 50.628 121 3HD2 LEU 15 3HD2 LEU 15 108.479 61.606 50.875 122 H GLN 16 H GLN 16 110.202 64.425 54.162 123 HA GLN 16 HA GLN 16 111.070 67.085 53.838 124 1HB GLN 16 1HB GLN 16 110.952 65.133 55.831 125 2HB GLN 16 2HB GLN 16 112.667 65.535 55.737 126 1HG GLN 16 1HG GLN 16 112.110 67.936 55.946 127 2HG GLN 16 2HG GLN 16 110.399 67.523 56.071 128 1HE2 GLN 16 2HE2 GLN 16 109.723 66.259 58.014 129 2HE2 GLN 16 1HE2 GLN 16 110.664 66.314 59.426 130 H GLY 17 H GLY 17 112.808 64.060 53.230 131 1HA GLY 17 1HA GLY 17 115.434 65.120 52.965 132 2HA GLY 17 2HA GLY 17 114.852 63.671 52.142 133 H TYR 18 H TYR 18 113.015 64.460 50.399 134 HA TYR 18 HA TYR 18 114.315 65.535 48.181 135 1HB TYR 18 1HB TYR 18 111.864 64.540 48.778 136 2HB TYR 18 2HB TYR 18 111.453 66.244 48.584 137 HD1 TYR 18 HD1 TYR 18 113.974 64.045 46.871 138 HD2 TYR 18 HD2 TYR 18 110.491 66.561 46.471 139 HE1 TYR 18 HE1 TYR 18 114.073 63.786 44.390 140 HE2 TYR 18 HE2 TYR 18 110.586 66.305 43.993 141 HH TYR 18 HH TYR 18 112.437 65.763 42.266 142 H THR 19 H THR 19 112.385 67.303 50.609 143 HA THR 19 HA THR 19 112.491 69.893 49.494 144 HB THR 19 HB THR 19 112.590 68.955 52.380 145 HG1 THR 19 HG1 THR 19 110.471 68.747 52.197 146 1HG2 THR 19 1HG2 THR 19 111.794 71.603 51.148 147 2HG2 THR 19 2HG2 THR 19 111.444 71.144 52.816 148 3HG2 THR 19 3HG2 THR 19 113.116 71.314 52.280 149 H VAL 20 H VAL 20 114.889 68.172 51.480 150 HA VAL 20 HA VAL 20 116.676 70.483 51.670 151 HB VAL 20 HB VAL 20 116.983 67.526 52.277 152 1HG1 VAL 20 1HG1 VAL 20 118.759 69.915 52.758 153 2HG1 VAL 20 2HG1 VAL 20 118.824 68.510 53.825 154 3HG1 VAL 20 3HG1 VAL 20 119.192 68.333 52.109 155 1HG2 VAL 20 1HG2 VAL 20 115.495 69.582 53.539 156 2HG2 VAL 20 2HG2 VAL 20 115.827 67.965 54.162 157 3HG2 VAL 20 3HG2 VAL 20 116.911 69.300 54.551 158 H GLU 21 H GLU 21 116.268 67.755 49.493 159 HA GLU 21 HA GLU 21 118.938 68.096 48.274 160 1HB GLU 21 1HB GLU 21 116.737 66.543 46.958 161 2HB GLU 21 2HB GLU 21 118.439 66.133 47.125 162 1HG GLU 21 1HG GLU 21 117.604 66.107 49.741 163 2HG GLU 21 2HG GLU 21 116.172 65.518 48.894 164 H VAL 22 H VAL 22 115.588 68.280 47.081 165 HA VAL 22 HA VAL 22 116.046 69.489 44.596 166 HB VAL 22 HB VAL 22 113.778 69.997 46.550 167 1HG1 VAL 22 1HG1 VAL 22 114.070 71.311 44.298 168 2HG1 VAL 22 2HG1 VAL 22 113.547 69.793 43.566 169 3HG1 VAL 22 3HG1 VAL 22 112.496 70.629 44.708 170 1HG2 VAL 22 1HG2 VAL 22 114.698 67.546 45.526 171 2HG2 VAL 22 2HG2 VAL 22 113.127 67.852 46.265 172 3HG2 VAL 22 3HG2 VAL 22 113.319 67.972 44.516 173 H LEU 23 H LEU 23 115.907 70.988 47.811 174 HA LEU 23 HA LEU 23 115.976 73.723 46.790 175 1HB LEU 23 1HB LEU 23 115.063 72.798 49.017 176 2HB LEU 23 2HB LEU 23 116.745 72.734 49.544 177 HG LEU 23 HG LEU 23 116.821 75.217 48.700 178 1HD1 LEU 23 1HD1 LEU 23 113.985 74.508 48.510 179 2HD1 LEU 23 2HD1 LEU 23 114.266 75.939 49.502 180 3HD1 LEU 23 3HD1 LEU 23 114.842 75.895 47.836 181 1HD2 LEU 23 1HD2 LEU 23 115.841 74.013 51.225 182 2HD2 LEU 23 2HD2 LEU 23 117.166 75.146 50.959 183 3HD2 LEU 23 3HD2 LEU 23 115.505 75.733 51.028 184 H ARG 24 H ARG 24 118.353 71.346 47.919 185 HA ARG 24 HA ARG 24 120.577 73.263 47.855 186 1HB ARG 24 1HB ARG 24 120.414 71.349 49.433 187 2HB ARG 24 2HB ARG 24 120.482 70.236 48.066 188 1HG ARG 24 1HG ARG 24 122.728 70.318 48.136 189 2HG ARG 24 2HG ARG 24 122.656 72.043 47.775 190 1HD ARG 24 1HD ARG 24 122.850 72.660 50.013 191 2HD ARG 24 2HD ARG 24 122.152 71.136 50.597 192 HE ARG 24 HE ARG 24 124.446 70.318 49.300 193 1HH1 ARG 24 1HH1 ARG 24 124.820 73.315 50.485 194 2HH1 ARG 24 2HH1 ARG 24 125.869 72.913 51.804 195 1HH2 ARG 24 1HH2 ARG 24 125.330 69.499 51.542 196 2HH2 ARG 24 2HH2 ARG 24 126.156 70.754 52.404 197 H GLN 25 H GLN 25 120.109 70.155 46.123 198 HA GLN 25 HA GLN 25 121.994 70.587 44.076 199 1HB GLN 25 1HB GLN 25 119.537 68.963 44.512 200 2HB GLN 25 2HB GLN 25 120.114 69.079 42.850 201 1HG GLN 25 1HG GLN 25 121.305 67.229 43.632 202 2HG GLN 25 2HG GLN 25 122.453 68.539 43.911 203 1HE2 GLN 25 2HE2 GLN 25 120.717 66.006 45.450 204 2HE2 GLN 25 1HE2 GLN 25 121.046 66.449 47.056 205 H GLN 26 H GLN 26 118.560 71.511 44.195 206 HA GLN 26 HA GLN 26 117.316 72.991 42.837 207 1HB GLN 26 1HB GLN 26 119.953 74.035 43.405 208 2HB GLN 26 2HB GLN 26 119.405 74.617 41.833 209 1HG GLN 26 1HG GLN 26 117.313 74.670 43.895 210 2HG GLN 26 2HG GLN 26 118.687 75.717 44.257 211 1HE2 GLN 26 2HE2 GLN 26 117.767 77.754 43.710 212 2HE2 GLN 26 1HE2 GLN 26 117.208 78.138 42.155 213 HA PRO 27 HA PRO 27 119.045 70.813 39.020 214 1HB PRO 27 1HB PRO 27 117.080 68.928 38.747 215 2HB PRO 27 2HB PRO 27 118.561 68.649 39.684 216 1HG PRO 27 1HG PRO 27 115.830 69.368 40.630 217 2HG PRO 27 2HG PRO 27 117.007 68.245 41.329 218 1HD PRO 27 1HD PRO 27 116.590 70.752 42.294 219 2HD PRO 27 2HD PRO 27 118.150 69.909 42.413 220 HA PRO 28 HA PRO 28 116.179 73.212 36.669 221 1HB PRO 28 1HB PRO 28 116.608 72.177 34.170 222 2HB PRO 28 2HB PRO 28 117.758 73.262 34.977 223 1HG PRO 28 1HG PRO 28 117.820 70.295 34.719 224 2HG PRO 28 2HG PRO 28 119.144 71.465 34.610 225 1HD PRO 28 1HD PRO 28 118.674 69.969 36.827 226 2HD PRO 28 2HD PRO 28 119.401 71.591 36.887 227 H ASP 29 H ASP 29 116.127 69.697 36.473 228 HA ASP 29 HA ASP 29 113.195 69.827 35.838 229 1HB ASP 29 1HB ASP 29 115.451 68.094 34.863 230 2HB ASP 29 2HB ASP 29 113.807 67.456 34.865 231 H LEU 30 H LEU 30 112.035 69.134 37.588 232 HA LEU 30 HA LEU 30 113.309 67.604 39.746 233 1HB LEU 30 1HB LEU 30 111.685 69.473 40.066 234 2HB LEU 30 2HB LEU 30 110.441 68.493 39.289 235 HG LEU 30 HG LEU 30 111.144 66.708 41.098 236 1HD1 LEU 30 1HD1 LEU 30 113.028 68.330 41.834 237 2HD1 LEU 30 2HD1 LEU 30 111.741 69.236 42.630 238 3HD1 LEU 30 3HD1 LEU 30 112.062 67.566 43.096 239 1HD2 LEU 30 1HD2 LEU 30 109.441 69.171 41.502 240 2HD2 LEU 30 2HD2 LEU 30 108.918 67.540 41.086 241 3HD2 LEU 30 3HD2 LEU 30 109.511 67.890 42.710 242 H VAL 31 H VAL 31 110.903 67.026 37.197 243 HA VAL 31 HA VAL 31 109.858 64.533 37.946 244 HB VAL 31 HB VAL 31 110.755 65.459 35.194 245 1HG1 VAL 31 1HG1 VAL 31 109.726 63.020 35.904 246 2HG1 VAL 31 2HG1 VAL 31 108.254 63.924 35.547 247 3HG1 VAL 31 3HG1 VAL 31 109.510 63.764 34.319 248 1HG2 VAL 31 1HG2 VAL 31 108.566 66.292 37.029 249 2HG2 VAL 31 2HG2 VAL 31 109.372 67.204 35.752 250 3HG2 VAL 31 3HG2 VAL 31 108.108 66.044 35.344 251 H ASP 32 H ASP 32 112.595 64.939 35.683 252 HA ASP 32 HA ASP 32 113.464 62.239 35.717 253 1HB ASP 32 1HB ASP 32 114.052 64.522 34.386 254 2HB ASP 32 2HB ASP 32 115.458 64.431 35.450 255 H PHE 33 H PHE 33 114.278 64.969 37.845 256 HA PHE 33 HA PHE 33 116.430 63.684 39.258 257 1HB PHE 33 1HB PHE 33 116.002 66.105 39.253 258 2HB PHE 33 2HB PHE 33 114.456 65.847 40.061 259 HD1 PHE 33 HD1 PHE 33 118.093 64.955 40.476 260 HD2 PHE 33 HD2 PHE 33 114.381 66.040 42.398 261 HE1 PHE 33 HE1 PHE 33 119.244 64.978 42.686 262 HE2 PHE 33 HE2 PHE 33 115.533 66.060 44.608 263 HZ PHE 33 HZ PHE 33 117.963 65.530 44.752 264 H ALA 34 H ALA 34 112.929 63.933 39.897 265 HA ALA 34 HA ALA 34 112.869 62.598 42.406 266 1HB ALA 34 1HB ALA 34 111.096 63.882 40.903 267 2HB ALA 34 2HB ALA 34 110.710 62.254 40.351 268 3HB ALA 34 3HB ALA 34 110.563 62.662 42.060 269 H VAL 35 H VAL 35 112.886 61.321 39.087 270 HA VAL 35 HA VAL 35 112.360 58.576 39.850 271 HB VAL 35 HB VAL 35 113.537 59.920 37.398 272 1HG1 VAL 35 1HG1 VAL 35 112.608 57.082 37.881 273 2HG1 VAL 35 2HG1 VAL 35 112.824 57.770 36.272 274 3HG1 VAL 35 3HG1 VAL 35 114.206 57.613 37.357 275 1HG2 VAL 35 1HG2 VAL 35 110.755 58.991 38.162 276 2HG2 VAL 35 2HG2 VAL 35 111.271 60.637 37.798 277 3HG2 VAL 35 3HG2 VAL 35 111.210 59.429 36.515 278 H GLU 36 H GLU 36 115.319 60.388 38.965 279 HA GLU 36 HA GLU 36 117.127 58.172 39.248 280 1HB GLU 36 1HB GLU 36 117.486 61.178 39.480 281 2HB GLU 36 2HB GLU 36 118.809 60.024 39.297 282 1HG GLU 36 1HG GLU 36 116.726 59.596 37.305 283 2HG GLU 36 2HG GLU 36 117.380 61.232 37.224 284 H TYR 37 H TYR 37 115.566 60.239 41.573 285 HA TYR 37 HA TYR 37 117.500 59.862 43.721 286 1HB TYR 37 1HB TYR 37 116.019 61.798 43.605 287 2HB TYR 37 2HB TYR 37 114.599 60.753 43.617 288 HD1 TYR 37 HD1 TYR 37 117.748 60.515 45.647 289 HD2 TYR 37 HD2 TYR 37 113.491 61.238 45.654 290 HE1 TYR 37 HE1 TYR 37 117.754 60.529 48.140 291 HE2 TYR 37 HE2 TYR 37 113.496 61.253 48.146 292 HH TYR 37 HH TYR 37 115.359 60.028 49.992 293 H PHE 38 H PHE 38 114.068 58.847 43.682 294 HA PHE 38 HA PHE 38 114.316 56.831 45.649 295 1HB PHE 38 1HB PHE 38 112.449 57.251 43.303 296 2HB PHE 38 2HB PHE 38 112.182 55.994 44.511 297 HD1 PHE 38 HD1 PHE 38 112.626 56.964 47.062 298 HD2 PHE 38 HD2 PHE 38 111.243 59.221 43.651 299 HE1 PHE 38 HE1 PHE 38 111.601 58.646 48.591 300 HE2 PHE 38 HE2 PHE 38 110.217 60.903 45.179 301 HZ PHE 38 HZ PHE 38 110.397 60.615 47.649 302 H THR 39 H THR 39 114.435 56.496 42.080 303 HA THR 39 HA THR 39 114.733 53.711 41.872 304 HB THR 39 HB THR 39 116.061 55.954 40.316 305 HG1 THR 39 HG1 THR 39 114.242 55.748 39.016 306 1HG2 THR 39 1HG2 THR 39 116.562 53.223 40.137 307 2HG2 THR 39 2HG2 THR 39 115.375 53.517 38.866 308 3HG2 THR 39 3HG2 THR 39 116.890 54.421 38.885 309 H ARG 40 H ARG 40 117.266 56.162 42.474 310 HA ARG 40 HA ARG 40 119.426 54.213 42.582 311 1HB ARG 40 1HB ARG 40 118.992 57.125 43.173 312 2HB ARG 40 2HB ARG 40 120.479 56.357 43.729 313 1HG ARG 40 1HG ARG 40 120.381 55.416 41.184 314 2HG ARG 40 2HG ARG 40 119.593 56.979 40.969 315 1HD ARG 40 1HD ARG 40 121.508 58.124 41.997 316 2HD ARG 40 2HD ARG 40 122.298 56.561 42.295 317 HE ARG 40 HE ARG 40 121.510 57.253 39.507 318 1HH1 ARG 40 1HH1 ARG 40 123.215 54.864 40.345 319 2HH1 ARG 40 2HH1 ARG 40 124.799 55.418 39.914 320 1HH2 ARG 40 1HH2 ARG 40 123.847 58.740 39.624 321 2HH2 ARG 40 2HH2 ARG 40 125.156 57.613 39.506 322 H LEU 41 H LEU 41 117.097 55.476 44.860 323 HA LEU 41 HA LEU 41 118.493 54.965 47.308 324 1HB LEU 41 1HB LEU 41 115.999 55.908 46.418 325 2HB LEU 41 2HB LEU 41 115.624 54.504 47.418 326 HG LEU 41 HG LEU 41 117.476 55.653 48.993 327 1HD1 LEU 41 1HD1 LEU 41 116.486 57.760 47.133 328 2HD1 LEU 41 2HD1 LEU 41 116.614 58.193 48.838 329 3HD1 LEU 41 3HD1 LEU 41 118.037 57.630 47.962 330 1HD2 LEU 41 1HD2 LEU 41 114.993 55.066 49.397 331 2HD2 LEU 41 2HD2 LEU 41 115.671 56.383 50.354 332 3HD2 LEU 41 3HD2 LEU 41 114.656 56.741 48.957 333 H ARG 42 H ARG 42 116.608 52.883 45.152 334 HA ARG 42 HA ARG 42 116.153 50.646 46.796 335 1HB ARG 42 1HB ARG 42 116.185 51.361 44.017 336 2HB ARG 42 2HB ARG 42 116.970 49.792 44.193 337 1HG ARG 42 1HG ARG 42 114.957 48.825 44.439 338 2HG ARG 42 2HG ARG 42 114.680 49.791 45.888 339 1HD ARG 42 1HD ARG 42 113.106 50.992 44.795 340 2HD ARG 42 2HD ARG 42 114.301 51.462 43.571 341 HE ARG 42 HE ARG 42 112.639 48.981 43.448 342 1HH1 ARG 42 1HH2 ARG 42 112.038 51.031 41.455 343 2HH1 ARG 42 2HH2 ARG 42 113.032 50.591 40.107 344 1HH2 ARG 42 1HH1 ARG 42 115.104 48.527 41.972 345 2HH2 ARG 42 2HH1 ARG 42 114.769 49.172 40.399 346 H GLU 43 H GLU 43 119.136 51.768 45.299 347 HA GLU 43 HA GLU 43 120.626 49.304 45.830 348 1HB GLU 43 1HB GLU 43 120.968 51.928 44.550 349 2HB GLU 43 2HB GLU 43 122.425 51.364 45.372 350 1HG GLU 43 1HG GLU 43 121.461 49.091 44.073 351 2HG GLU 43 2HG GLU 43 121.201 50.391 42.910 352 H ALA 44 H ALA 44 119.896 52.261 47.540 353 HA ALA 44 HA ALA 44 122.110 52.180 49.415 354 1HB ALA 44 1HB ALA 44 119.827 53.785 48.756 355 2HB ALA 44 2HB ALA 44 119.790 53.456 50.491 356 3HB ALA 44 3HB ALA 44 121.207 54.221 49.765 357 H ARG 45 H ARG 45 118.685 51.922 50.278 358 HA ARG 45 HA ARG 45 117.633 50.655 51.944 359 1HB ARG 45 1HB ARG 45 118.817 49.066 49.972 360 2HB ARG 45 2HB ARG 45 119.271 48.285 51.487 361 1HG ARG 45 1HG ARG 45 117.201 47.299 51.085 362 2HG ARG 45 2HG ARG 45 116.733 48.666 52.097 363 1HD ARG 45 1HD ARG 45 116.076 49.968 50.165 364 2HD ARG 45 2HD ARG 45 116.753 48.756 49.059 365 HE ARG 45 HE ARG 45 114.874 47.509 50.844 366 1HH1 ARG 45 1HH1 ARG 45 115.405 48.104 47.656 367 2HH1 ARG 45 2HH1 ARG 45 113.748 48.323 47.204 368 1HH2 ARG 45 1HH2 ARG 45 112.595 48.435 50.473 369 2HH2 ARG 45 2HH2 ARG 45 112.156 48.512 48.799 370 H ARG 46 H ARG 46 118.826 48.434 53.417 371 HA ARG 46 HA ARG 46 120.509 50.019 55.301 372 1HB ARG 46 1HB ARG 46 118.606 47.725 55.415 373 2HB ARG 46 2HB ARG 46 119.902 47.747 56.613 374 1HG ARG 46 1HG ARG 46 118.561 50.347 56.214 375 2HG ARG 46 2HG ARG 46 117.530 49.086 56.892 376 1HD ARG 46 1HD ARG 46 119.074 48.708 58.723 377 2HD ARG 46 2HD ARG 46 120.274 49.792 57.991 378 HE ARG 46 HE ARG 46 118.106 51.430 58.150 379 1HH1 ARG 46 1HH2 ARG 46 120.504 51.187 60.166 380 2HH1 ARG 46 2HH2 ARG 46 119.627 51.243 61.659 381 1HH2 ARG 46 1HH1 ARG 46 116.545 50.668 60.177 382 2HH2 ARG 46 2HH1 ARG 46 117.386 50.949 61.666 383 1H HIS 1 1H HIS 1 108.722 88.313 59.906 384 2H HIS 1 2H HIS 1 109.884 89.462 60.368 385 3H HIS 1 3H HIS 1 108.293 89.575 60.954 386 HA HIS 1 HA HIS 1 107.444 90.135 58.805 387 1HB HIS 1 1HB HIS 1 109.983 91.559 59.652 388 2HB HIS 1 2HB HIS 1 108.835 92.227 58.492 389 HD1 HIS 1 HD1 HIS 1 109.502 93.284 61.503 390 HD2 HIS 1 HD2 HIS 1 106.099 91.228 60.248 391 HE1 HIS 1 HE1 HIS 1 107.678 93.832 63.172 392 H MET 2 H MET 2 111.016 89.835 58.612 393 HA MET 2 HA MET 2 110.688 89.031 55.739 394 1HB MET 2 1HB MET 2 112.652 90.688 57.284 395 2HB MET 2 2HB MET 2 113.218 89.841 55.844 396 1HG MET 2 1HG MET 2 110.717 91.529 55.790 397 2HG MET 2 2HG MET 2 112.310 92.237 55.523 398 1HE MET 2 1HE MET 2 109.451 90.680 54.583 399 2HE MET 2 2HE MET 2 109.482 90.941 52.834 400 3HE MET 2 3HE MET 2 109.781 89.335 53.495 401 H GLY 3 H GLY 3 111.559 87.056 55.139 402 1HA GLY 3 1HA GLY 3 113.205 85.618 57.184 403 2HA GLY 3 2HA GLY 3 111.955 84.799 56.248 404 H HIS 4 H HIS 4 113.999 83.452 55.736 405 HA HIS 4 HA HIS 4 115.294 84.602 53.285 406 1HB HIS 4 1HB HIS 4 116.493 82.869 55.473 407 2HB HIS 4 2HB HIS 4 117.345 83.413 54.027 408 HD1 HIS 4 HD1 HIS 4 115.776 84.747 57.202 409 HD2 HIS 4 HD2 HIS 4 118.272 86.062 54.133 410 HE1 HIS 4 HE1 HIS 4 116.653 87.015 57.913 411 H ILE 5 H ILE 5 112.917 82.832 53.561 412 HA ILE 5 HA ILE 5 113.976 80.253 52.477 413 HB ILE 5 HB ILE 5 111.266 81.085 53.562 414 1HG1 ILE 5 1HG1 ILE 5 113.036 81.030 55.274 415 2HG1 ILE 5 2HG1 ILE 5 111.917 79.687 55.500 416 1HG2 ILE 5 1HG2 ILE 5 112.008 78.880 51.931 417 2HG2 ILE 5 2HG2 ILE 5 111.752 78.253 53.560 418 3HG2 ILE 5 3HG2 ILE 5 110.468 79.147 52.748 419 1HD1 ILE 5 1HD1 ILE 5 113.662 78.460 53.884 420 2HD1 ILE 5 2HD1 ILE 5 114.756 79.655 54.580 421 3HD1 ILE 5 3HD1 ILE 5 113.903 78.523 55.629 422 H GLN 6 H GLN 6 113.783 79.930 50.291 423 HA GLN 6 HA GLN 6 111.814 81.624 48.786 424 1HB GLN 6 1HB GLN 6 114.534 80.495 48.057 425 2HB GLN 6 2HB GLN 6 113.480 81.326 46.913 426 1HG GLN 6 1HG GLN 6 113.447 83.263 48.600 427 2HG GLN 6 2HG GLN 6 114.804 82.453 49.383 428 1HE2 GLN 6 2HE2 GLN 6 114.166 84.838 47.165 429 2HE2 GLN 6 1HE2 GLN 6 115.576 84.738 46.226 430 H ILE 7 H ILE 7 110.079 80.275 48.365 431 HA ILE 7 HA ILE 7 110.659 77.469 47.492 432 HB ILE 7 HB ILE 7 108.152 78.766 48.606 433 1HG1 ILE 7 1HG1 ILE 7 109.979 78.641 50.258 434 2HG1 ILE 7 2HG1 ILE 7 108.709 77.484 50.653 435 1HG2 ILE 7 1HG2 ILE 7 108.855 75.964 47.748 436 2HG2 ILE 7 2HG2 ILE 7 107.618 76.246 48.973 437 3HG2 ILE 7 3HG2 ILE 7 107.420 76.912 47.351 438 1HD1 ILE 7 1HD1 ILE 7 110.109 75.802 49.251 439 2HD1 ILE 7 2HD1 ILE 7 111.424 76.959 49.458 440 3HD1 ILE 7 3HD1 ILE 7 110.676 76.210 50.869 441 HA PRO 8 HA PRO 8 109.314 79.203 43.549 442 1HB PRO 8 1HB PRO 8 109.885 76.991 42.050 443 2HB PRO 8 2HB PRO 8 111.118 78.163 42.556 444 1HG PRO 8 1HG PRO 8 110.443 75.508 43.712 445 2HG PRO 8 2HG PRO 8 112.025 76.264 43.471 446 1HD PRO 8 1HD PRO 8 110.764 76.172 45.880 447 2HD PRO 8 2HD PRO 8 111.895 77.462 45.417 448 HA PRO 9 HA PRO 9 105.291 77.296 43.684 449 1HB PRO 9 1HB PRO 9 104.165 78.626 41.577 450 2HB PRO 9 2HB PRO 9 104.423 79.377 43.163 451 1HG PRO 9 1HG PRO 9 105.990 79.661 40.658 452 2HG PRO 9 2HG PRO 9 105.624 80.861 41.906 453 1HD PRO 9 1HD PRO 9 108.032 79.556 41.663 454 2HD PRO 9 2HD PRO 9 107.426 80.278 43.168 455 H GLY 10 H GLY 10 104.147 75.675 42.478 456 1HA GLY 10 1HA GLY 10 103.758 74.575 40.269 457 2HA GLY 10 2HA GLY 10 105.473 74.820 39.935 458 H LEU 11 H LEU 11 106.180 74.094 42.755 459 HA LEU 11 HA LEU 11 106.363 71.196 42.322 460 1HB LEU 11 1HB LEU 11 107.648 73.315 43.850 461 2HB LEU 11 2HB LEU 11 107.368 71.888 44.847 462 HG LEU 11 HG LEU 11 108.281 70.927 42.352 463 1HD1 LEU 11 1HD1 LEU 11 109.102 73.529 42.482 464 2HD1 LEU 11 2HD1 LEU 11 110.442 72.713 43.289 465 3HD1 LEU 11 3HD1 LEU 11 109.991 72.256 41.646 466 1HD2 LEU 11 1HD2 LEU 11 109.094 70.980 45.183 467 2HD2 LEU 11 2HD2 LEU 11 109.094 69.638 44.039 468 3HD2 LEU 11 3HD2 LEU 11 110.439 70.778 44.059 469 H THR 12 H THR 12 104.464 73.407 44.276 470 HA THR 12 HA THR 12 103.603 71.757 46.386 471 HB THR 12 HB THR 12 101.967 73.722 44.751 472 HG1 THR 12 HG1 THR 12 102.838 75.241 46.215 473 1HG2 THR 12 1HG2 THR 12 101.694 72.457 47.445 474 2HG2 THR 12 2HG2 THR 12 101.170 74.130 47.255 475 3HG2 THR 12 3HG2 THR 12 100.447 72.862 46.266 476 H GLU 13 H GLU 13 101.943 72.197 43.242 477 HA GLU 13 HA GLU 13 99.927 70.265 43.539 478 1HB GLU 13 1HB GLU 13 100.686 72.005 41.645 479 2HB GLU 13 2HB GLU 13 101.333 70.535 40.916 480 1HG GLU 13 1HG GLU 13 99.044 69.482 41.313 481 2HG GLU 13 2HG GLU 13 98.466 71.104 41.696 482 H LEU 14 H LEU 14 103.185 69.784 42.114 483 HA LEU 14 HA LEU 14 103.019 67.044 41.513 484 1HB LEU 14 1HB LEU 14 105.079 69.067 42.109 485 2HB LEU 14 2HB LEU 14 105.601 67.407 42.401 486 HG LEU 14 HG LEU 14 104.531 66.930 40.062 487 1HD1 LEU 14 1HD1 LEU 14 104.877 69.934 40.075 488 2HD1 LEU 14 2HD1 LEU 14 104.854 68.995 38.583 489 3HD1 LEU 14 3HD1 LEU 14 103.441 69.009 39.638 490 1HD2 LEU 14 1HD2 LEU 14 106.988 66.913 40.704 491 2HD2 LEU 14 2HD2 LEU 14 106.669 67.320 39.019 492 3HD2 LEU 14 3HD2 LEU 14 107.063 68.593 40.173 493 H LEU 15 H LEU 15 104.243 68.484 44.567 494 HA LEU 15 HA LEU 15 104.544 65.986 45.943 495 1HB LEU 15 1HB LEU 15 104.394 68.903 46.611 496 2HB LEU 15 2HB LEU 15 104.309 67.741 47.935 497 HG LEU 15 HG LEU 15 106.645 68.443 47.487 498 1HD1 LEU 15 1HD1 LEU 15 105.831 66.002 48.112 499 2HD1 LEU 15 2HD1 LEU 15 106.470 65.613 46.514 500 3HD1 LEU 15 3HD1 LEU 15 107.528 66.309 47.742 501 1HD2 LEU 15 1HD2 LEU 15 106.354 68.863 45.053 502 2HD2 LEU 15 2HD2 LEU 15 107.716 67.788 45.373 503 3HD2 LEU 15 3HD2 LEU 15 106.189 67.126 44.789 504 H GLN 16 H GLN 16 101.943 68.460 46.179 505 HA GLN 16 HA GLN 16 100.254 67.134 48.002 506 1HB GLN 16 1HB GLN 16 100.214 69.376 46.337 507 2HB GLN 16 2HB GLN 16 98.838 68.418 45.787 508 1HG GLN 16 1HG GLN 16 98.024 68.259 48.118 509 2HG GLN 16 2HG GLN 16 99.386 69.244 48.653 510 1HE2 GLN 16 2HE2 GLN 16 99.457 71.526 47.868 511 2HE2 GLN 16 1HE2 GLN 16 98.024 72.293 47.380 512 H GLY 17 H GLY 17 100.710 66.569 44.535 513 1HA GLY 17 1HA GLY 17 98.462 64.888 44.075 514 2HA GLY 17 2HA GLY 17 99.976 64.804 43.171 515 H TYR 18 H TYR 18 101.836 63.952 44.857 516 HA TYR 18 HA TYR 18 101.546 61.198 45.169 517 1HB TYR 18 1HB TYR 18 103.466 63.066 45.583 518 2HB TYR 18 2HB TYR 18 103.075 62.669 47.256 519 HD1 TYR 18 HD1 TYR 18 103.157 60.597 44.121 520 HD2 TYR 18 HD2 TYR 18 104.712 61.219 48.098 521 HE1 TYR 18 HE1 TYR 18 104.485 58.493 43.929 522 HE2 TYR 18 HE2 TYR 18 106.041 59.117 47.911 523 HH TYR 18 HH TYR 18 105.841 56.928 46.531 524 H THR 19 H THR 19 100.867 63.720 47.603 525 HA THR 19 HA THR 19 100.170 62.079 49.791 526 HB THR 19 HB THR 19 99.044 64.737 48.849 527 HG1 THR 19 HG1 THR 19 100.764 65.593 49.785 528 1HG2 THR 19 1HG2 THR 19 99.028 63.391 51.561 529 2HG2 THR 19 2HG2 THR 19 98.634 65.091 51.299 530 3HG2 THR 19 3HG2 THR 19 97.625 63.831 50.586 531 H VAL 20 H VAL 20 98.212 63.117 47.007 532 HA VAL 20 HA VAL 20 95.756 61.900 48.034 533 HB VAL 20 HB VAL 20 96.591 63.005 45.334 534 1HG1 VAL 20 1HG1 VAL 20 93.957 62.026 46.426 535 2HG1 VAL 20 2HG1 VAL 20 94.010 63.253 45.161 536 3HG1 VAL 20 3HG1 VAL 20 94.711 61.660 44.873 537 1HG2 VAL 20 1HG2 VAL 20 96.064 64.259 47.822 538 2HG2 VAL 20 2HG2 VAL 20 96.253 65.037 46.250 539 3HG2 VAL 20 3HG2 VAL 20 94.652 64.552 46.808 540 H GLU 21 H GLU 21 98.434 60.892 45.991 541 HA GLU 21 HA GLU 21 96.982 58.551 44.923 542 1HB GLU 21 1HB GLU 21 99.966 58.811 44.803 543 2HB GLU 21 2HB GLU 21 98.847 58.277 43.556 544 1HG GLU 21 1HG GLU 21 98.106 60.903 43.882 545 2HG GLU 21 2HG GLU 21 99.846 60.976 44.158 546 H VAL 22 H VAL 22 99.924 59.009 46.877 547 HA VAL 22 HA VAL 22 100.315 56.373 47.743 548 HB VAL 22 HB VAL 22 100.712 58.949 49.303 549 1HG1 VAL 22 1HG1 VAL 22 101.054 56.565 50.340 550 2HG1 VAL 22 2HG1 VAL 22 102.507 56.546 49.340 551 3HG1 VAL 22 3HG1 VAL 22 102.296 57.795 50.566 552 1HG2 VAL 22 1HG2 VAL 22 101.705 58.264 46.764 553 2HG2 VAL 22 2HG2 VAL 22 102.322 59.529 47.827 554 3HG2 VAL 22 3HG2 VAL 22 103.026 57.913 47.878 555 H LEU 23 H LEU 23 98.066 58.820 48.992 556 HA LEU 23 HA LEU 23 97.277 57.238 51.316 557 1HB LEU 23 1HB LEU 23 97.217 59.786 50.938 558 2HB LEU 23 2HB LEU 23 95.761 59.493 49.985 559 HG LEU 23 HG LEU 23 94.993 58.121 52.087 560 1HD1 LEU 23 1HD1 LEU 23 97.464 59.421 52.972 561 2HD1 LEU 23 2HD1 LEU 23 96.087 59.792 54.012 562 3HD1 LEU 23 3HD1 LEU 23 96.551 58.113 53.727 563 1HD2 LEU 23 1HD2 LEU 23 94.953 61.024 51.493 564 2HD2 LEU 23 2HD2 LEU 23 93.611 59.916 51.773 565 3HD2 LEU 23 3HD2 LEU 23 94.502 60.584 53.140 566 H ARG 24 H ARG 24 96.082 57.710 48.012 567 HA ARG 24 HA ARG 24 93.623 56.173 48.482 568 1HB ARG 24 1HB ARG 24 93.815 58.071 46.887 569 2HB ARG 24 2HB ARG 24 94.983 57.143 45.945 570 1HG ARG 24 1HG ARG 24 93.286 56.166 44.841 571 2HG ARG 24 2HG ARG 24 92.727 55.464 46.359 572 1HD ARG 24 1HD ARG 24 91.149 57.141 46.713 573 2HD ARG 24 2HD ARG 24 92.056 58.334 45.761 574 HE ARG 24 HE ARG 24 91.447 56.382 43.907 575 1HH1 ARG 24 1HH1 ARG 24 89.177 56.488 46.222 576 2HH1 ARG 24 2HH1 ARG 24 87.927 57.242 45.287 577 1HH2 ARG 24 1HH2 ARG 24 90.036 58.101 42.671 578 2HH2 ARG 24 2HH2 ARG 24 88.414 58.154 43.277 579 H GLN 25 H GLN 25 96.293 55.668 46.140 580 HA GLN 25 HA GLN 25 95.787 52.953 45.586 581 1HB GLN 25 1HB GLN 25 98.087 54.841 45.473 582 2HB GLN 25 2HB GLN 25 98.473 53.126 45.323 583 1HG GLN 25 1HG GLN 25 98.065 53.713 43.100 584 2HG GLN 25 2HG GLN 25 96.487 53.109 43.607 585 1HE2 GLN 25 2HE2 GLN 25 98.118 55.839 42.307 586 2HE2 GLN 25 1HE2 GLN 25 96.849 56.956 42.462 587 H GLN 26 H GLN 26 97.774 54.389 48.164 588 HA GLN 26 HA GLN 26 98.688 53.428 50.118 589 1HB GLN 26 1HB GLN 26 96.010 52.457 49.614 590 2HB GLN 26 2HB GLN 26 96.949 51.218 50.445 591 1HG GLN 26 1HG GLN 26 97.373 53.919 51.519 592 2HG GLN 26 2HG GLN 26 95.710 53.351 51.679 593 1HE2 GLN 26 2HE2 GLN 26 95.709 52.795 53.911 594 2HE2 GLN 26 1HE2 GLN 26 96.735 51.621 54.580 595 HA PRO 27 HA PRO 27 100.413 49.910 47.482 596 1HB PRO 27 1HB PRO 27 102.846 51.030 46.915 597 2HB PRO 27 2HB PRO 27 101.423 51.230 45.871 598 1HG PRO 27 1HG PRO 27 102.572 53.102 47.883 599 2HG PRO 27 2HG PRO 27 101.886 53.442 46.286 600 1HD PRO 27 1HD PRO 27 100.524 53.845 48.604 601 2HD PRO 27 2HD PRO 27 99.730 53.440 47.066 602 HA PRO 28 HA PRO 28 102.582 48.602 51.099 603 1HB PRO 28 1HB PRO 28 104.041 46.524 50.073 604 2HB PRO 28 2HB PRO 28 102.294 46.425 50.373 605 1HG PRO 28 1HG PRO 28 103.750 46.908 47.819 606 2HG PRO 28 2HG PRO 28 102.310 45.925 48.128 607 1HD PRO 28 1HD PRO 28 102.197 48.405 47.029 608 2HD PRO 28 2HD PRO 28 100.894 47.727 48.030 609 H ASP 29 H ASP 29 104.350 49.325 48.141 610 HA ASP 29 HA ASP 29 106.729 50.081 49.808 611 1HB ASP 29 1HB ASP 29 106.409 48.649 47.181 612 2HB ASP 29 2HB ASP 29 107.889 49.554 47.500 613 H LEU 30 H LEU 30 106.989 52.275 49.766 614 HA LEU 30 HA LEU 30 105.666 53.922 47.726 615 1HB LEU 30 1HB LEU 30 105.803 54.473 50.157 616 2HB LEU 30 2HB LEU 30 107.554 54.616 50.000 617 HG LEU 30 HG LEU 30 106.940 56.285 48.052 618 1HD1 LEU 30 1HD1 LEU 30 104.450 55.661 48.428 619 2HD1 LEU 30 2HD1 LEU 30 104.552 56.702 49.849 620 3HD1 LEU 30 3HD1 LEU 30 104.852 57.369 48.245 621 1HD2 LEU 30 1HD2 LEU 30 106.823 56.799 51.029 622 2HD2 LEU 30 2HD2 LEU 30 108.170 57.078 49.925 623 3HD2 LEU 30 3HD2 LEU 30 106.747 58.117 49.859 624 H VAL 31 H VAL 31 108.982 52.971 48.577 625 HA VAL 31 HA VAL 31 110.504 54.703 46.976 626 HB VAL 31 HB VAL 31 110.850 51.712 47.383 627 1HG1 VAL 31 1HG1 VAL 31 112.355 53.386 45.822 628 2HG1 VAL 31 2HG1 VAL 31 113.179 53.534 47.374 629 3HG1 VAL 31 3HG1 VAL 31 112.986 51.948 46.625 630 1HG2 VAL 31 1HG2 VAL 31 111.093 54.070 49.180 631 2HG2 VAL 31 2HG2 VAL 31 110.750 52.385 49.576 632 3HG2 VAL 31 3HG2 VAL 31 112.409 52.897 49.264 633 H ASP 32 H ASP 32 109.503 51.423 45.964 634 HA ASP 32 HA ASP 32 110.109 51.725 43.209 635 1HB ASP 32 1HB ASP 32 109.317 49.753 44.886 636 2HB ASP 32 2HB ASP 32 107.796 50.048 44.040 637 H PHE 33 H PHE 33 107.162 52.503 45.039 638 HA PHE 33 HA PHE 33 105.474 53.053 42.775 639 1HB PHE 33 1HB PHE 33 104.667 52.652 45.065 640 2HB PHE 33 2HB PHE 33 105.487 54.111 45.622 641 HD1 PHE 33 HD1 PHE 33 103.061 53.033 42.949 642 HD2 PHE 33 HD2 PHE 33 104.247 56.097 45.752 643 HE1 PHE 33 HE1 PHE 33 101.081 54.398 42.295 644 HE2 PHE 33 HE2 PHE 33 102.269 57.461 45.094 645 HZ PHE 33 HZ PHE 33 100.684 56.613 43.368 646 H ALA 34 H ALA 34 107.553 55.129 44.798 647 HA ALA 34 HA ALA 34 106.925 57.633 43.612 648 1HB ALA 34 1HB ALA 34 108.382 56.831 45.681 649 2HB ALA 34 2HB ALA 34 109.700 56.934 44.513 650 3HB ALA 34 3HB ALA 34 108.737 58.364 44.884 651 H VAL 35 H VAL 35 109.216 55.098 42.620 652 HA VAL 35 HA VAL 35 110.471 56.668 40.532 653 HB VAL 35 HB VAL 35 110.267 53.702 41.138 654 1HG1 VAL 35 1HG1 VAL 35 112.003 55.240 39.196 655 2HG1 VAL 35 2HG1 VAL 35 112.355 53.593 39.718 656 3HG1 VAL 35 3HG1 VAL 35 110.874 53.936 38.825 657 1HG2 VAL 35 1HG2 VAL 35 112.307 55.848 41.782 658 2HG2 VAL 35 2HG2 VAL 35 111.361 54.894 42.924 659 3HG2 VAL 35 3HG2 VAL 35 112.626 54.123 41.967 660 H GLU 36 H GLU 36 107.954 54.120 40.558 661 HA GLU 36 HA GLU 36 107.530 54.087 37.715 662 1HB GLU 36 1HB GLU 36 105.760 53.381 40.078 663 2HB GLU 36 2HB GLU 36 105.435 52.909 38.410 664 1HG GLU 36 1HG GLU 36 108.161 52.254 39.198 665 2HG GLU 36 2HG GLU 36 106.976 51.484 40.253 666 H TYR 37 H TYR 37 106.500 56.278 40.216 667 HA TYR 37 HA TYR 37 104.174 57.333 38.814 668 1HB TYR 37 1HB TYR 37 104.407 57.429 41.241 669 2HB TYR 37 2HB TYR 37 105.908 58.342 41.091 670 HD1 TYR 37 HD1 TYR 37 102.701 58.708 39.177 671 HD2 TYR 37 HD2 TYR 37 105.433 60.467 42.020 672 HE1 TYR 37 HE1 TYR 37 101.404 60.837 39.106 673 HE2 TYR 37 HE2 TYR 37 104.137 62.596 41.950 674 HH TYR 37 HH TYR 37 102.408 63.632 39.873 675 H PHE 38 H PHE 38 107.135 59.109 39.746 676 HA PHE 38 HA PHE 38 106.878 61.175 37.835 677 1HB PHE 38 1HB PHE 38 109.237 59.909 39.247 678 2HB PHE 38 2HB PHE 38 109.390 61.375 38.276 679 HD1 PHE 38 HD1 PHE 38 107.305 63.118 38.788 680 HD2 PHE 38 HD2 PHE 38 109.018 60.269 41.544 681 HE1 PHE 38 HE1 PHE 38 106.480 64.478 40.707 682 HE2 PHE 38 HE2 PHE 38 108.191 61.629 43.462 683 HZ PHE 38 HZ PHE 38 106.922 63.734 43.044 684 H THR 39 H THR 39 108.786 58.147 37.603 685 HA THR 39 HA THR 39 109.966 58.518 35.083 686 HB THR 39 HB THR 39 108.771 56.030 36.346 687 HG1 THR 39 HG1 THR 39 110.847 55.791 37.164 688 1HG2 THR 39 1HG2 THR 39 109.766 56.328 33.764 689 2HG2 THR 39 2HG2 THR 39 111.140 55.702 34.676 690 3HG2 THR 39 3HG2 THR 39 109.620 54.809 34.650 691 H ARG 40 H ARG 40 106.695 57.282 35.823 692 HA ARG 40 HA ARG 40 105.983 56.874 33.031 693 1HB ARG 40 1HB ARG 40 104.646 56.862 35.720 694 2HB ARG 40 2HB ARG 40 103.642 56.850 34.270 695 1HG ARG 40 1HG ARG 40 105.462 54.948 33.606 696 2HG ARG 40 2HG ARG 40 105.413 54.737 35.356 697 1HD ARG 40 1HD ARG 40 102.974 54.466 35.290 698 2HD ARG 40 2HD ARG 40 102.976 54.749 33.537 699 HE ARG 40 HE ARG 40 104.658 52.546 34.630 700 1HH1 ARG 40 1HH1 ARG 40 104.102 53.079 31.677 701 2HH1 ARG 40 2HH1 ARG 40 102.925 51.857 31.333 702 1HH2 ARG 40 1HH2 ARG 40 102.226 51.219 34.670 703 2HH2 ARG 40 2HH2 ARG 40 101.862 50.803 33.027 704 H LEU 41 H LEU 41 105.901 59.571 35.254 705 HA LEU 41 HA LEU 41 103.871 61.161 34.007 706 1HB LEU 41 1HB LEU 41 105.696 61.298 36.143 707 2HB LEU 41 2HB LEU 41 106.098 62.671 35.110 708 HG LEU 41 HG LEU 41 103.419 62.897 35.073 709 1HD1 LEU 41 1HD1 LEU 41 104.118 61.234 37.447 710 2HD1 LEU 41 2HD1 LEU 41 102.946 62.530 37.692 711 3HD1 LEU 41 3HD1 LEU 41 102.631 61.270 36.497 712 1HD2 LEU 41 1HD2 LEU 41 105.276 64.511 35.858 713 2HD2 LEU 41 2HD2 LEU 41 103.686 64.700 36.595 714 3HD2 LEU 41 3HD2 LEU 41 104.971 63.874 37.474 715 H ARG 42 H ARG 42 107.306 60.683 33.290 716 HA ARG 42 HA ARG 42 107.821 62.846 31.565 717 1HB ARG 42 1HB ARG 42 108.899 60.276 32.250 718 2HB ARG 42 2HB ARG 42 108.971 60.459 30.497 719 1HG ARG 42 1HG ARG 42 110.742 61.822 30.720 720 2HG ARG 42 2HG ARG 42 109.745 62.950 31.640 721 1HD ARG 42 1HD ARG 42 110.889 62.433 33.521 722 2HD ARG 42 2HD ARG 42 110.440 60.725 33.337 723 HE ARG 42 HE ARG 42 112.851 61.985 32.098 724 1HH1 ARG 42 1HH2 ARG 42 113.365 60.047 34.222 725 2HH1 ARG 42 2HH2 ARG 42 113.546 58.550 33.370 726 1HH2 ARG 42 1HH1 ARG 42 112.044 59.714 30.470 727 2HH2 ARG 42 2HH1 ARG 42 112.798 58.361 31.245 728 H GLU 43 H GLU 43 105.918 59.936 31.012 729 HA GLU 43 HA GLU 43 105.710 60.321 28.116 730 1HB GLU 43 1HB GLU 43 104.907 58.423 30.213 731 2HB GLU 43 2HB GLU 43 103.697 58.604 28.941 732 1HG GLU 43 1HG GLU 43 106.115 58.489 27.556 733 2HG GLU 43 2HG GLU 43 106.301 57.293 28.839 734 H ALA 44 H ALA 44 103.992 61.388 30.961 735 HA ALA 44 HA ALA 44 101.465 62.010 29.677 736 1HB ALA 44 1HB ALA 44 102.710 62.083 32.259 737 2HB ALA 44 2HB ALA 44 101.999 63.668 31.943 738 3HB ALA 44 3HB ALA 44 100.992 62.218 31.877 739 H ARG 45 H ARG 45 103.614 64.365 31.219 740 HA ARG 45 HA ARG 45 104.100 66.582 30.639 741 1HB ARG 45 1HB ARG 45 104.996 64.750 28.727 742 2HB ARG 45 2HB ARG 45 104.248 66.034 27.776 743 1HG ARG 45 1HG ARG 45 106.404 66.874 28.034 744 2HG ARG 45 2HG ARG 45 105.587 67.612 29.412 745 1HD ARG 45 1HD ARG 45 106.456 65.937 30.924 746 2HD ARG 45 2HD ARG 45 107.098 64.981 29.572 747 HE ARG 45 HE ARG 45 108.111 67.668 29.436 748 1HH1 ARG 45 1HH1 ARG 45 109.096 64.550 29.768 749 2HH1 ARG 45 2HH1 ARG 45 110.422 64.861 30.838 750 1HH2 ARG 45 1HH2 ARG 45 109.517 68.155 31.431 751 2HH2 ARG 45 2HH2 ARG 45 110.661 66.901 31.779 752 H ARG 46 H ARG 46 103.504 67.846 28.072 753 HA ARG 46 HA ARG 46 100.587 68.308 28.486 754 1HB ARG 46 1HB ARG 46 102.962 69.833 27.523 755 2HB ARG 46 2HB ARG 46 101.402 70.266 26.825 756 1HG ARG 46 1HG ARG 46 101.370 69.893 29.753 757 2HG ARG 46 2HG ARG 46 102.348 71.252 29.197 758 1HD ARG 46 1HD ARG 46 100.467 72.213 28.008 759 2HD ARG 46 2HD ARG 46 99.476 70.776 28.326 760 HE ARG 46 HE ARG 46 100.200 71.490 30.850 761 1HH1 ARG 46 1HH2 ARG 46 97.545 72.188 29.325 762 2HH1 ARG 46 2HH2 ARG 46 97.382 73.851 29.780 763 1HH2 ARG 46 1HH1 ARG 46 100.634 74.122 30.954 764 2HH2 ARG 46 2HH1 ARG 46 99.132 74.947 30.703 Start of MODEL 15 1 1H HIS 1 1H HIS 1 94.822 46.012 60.696 2 2H HIS 1 2H HIS 1 96.149 46.835 60.035 3 3H HIS 1 3H HIS 1 95.138 47.616 61.156 4 HA HIS 1 HA HIS 1 94.482 48.476 59.080 5 1HB HIS 1 1HB HIS 1 95.798 46.384 58.111 6 2HB HIS 1 2HB HIS 1 94.179 45.698 57.987 7 HD1 HIS 1 HD1 HIS 1 92.516 48.070 57.141 8 HD2 HIS 1 HD2 HIS 1 96.303 47.333 55.559 9 HE1 HIS 1 HE1 HIS 1 92.610 49.278 54.918 10 H MET 2 H MET 2 92.592 49.003 60.288 11 HA MET 2 HA MET 2 90.309 47.115 59.895 12 1HB MET 2 1HB MET 2 91.575 47.134 62.218 13 2HB MET 2 2HB MET 2 90.647 48.612 62.477 14 1HG MET 2 1HG MET 2 88.703 47.477 62.737 15 2HG MET 2 2HG MET 2 89.045 46.409 61.376 16 1HE MET 2 1HE MET 2 90.470 47.549 64.583 17 2HE MET 2 2HE MET 2 89.207 46.652 65.423 18 3HE MET 2 3HE MET 2 90.892 46.125 65.531 19 H GLY 3 H GLY 3 91.229 49.768 58.711 20 1HA GLY 3 1HA GLY 3 89.734 51.414 57.746 21 2HA GLY 3 2HA GLY 3 88.650 51.188 59.119 22 H HIS 4 H HIS 4 91.478 52.868 57.962 23 HA HIS 4 HA HIS 4 91.198 54.873 60.083 24 1HB HIS 4 1HB HIS 4 93.486 54.462 60.972 25 2HB HIS 4 2HB HIS 4 92.436 53.063 61.205 26 HD1 HIS 4 HD1 HIS 4 95.546 54.147 59.533 27 HD2 HIS 4 HD2 HIS 4 92.934 50.907 59.289 28 HE1 HIS 4 HE1 HIS 4 96.758 52.346 58.230 29 H ILE 5 H ILE 5 91.787 56.816 59.185 30 HA ILE 5 HA ILE 5 93.475 56.756 56.710 31 HB ILE 5 HB ILE 5 91.156 57.549 56.470 32 1HG1 ILE 5 1HG1 ILE 5 92.411 60.173 56.303 33 2HG1 ILE 5 2HG1 ILE 5 93.476 58.910 55.684 34 1HG2 ILE 5 1HG2 ILE 5 91.858 58.931 58.953 35 2HG2 ILE 5 2HG2 ILE 5 91.100 60.002 57.775 36 3HG2 ILE 5 3HG2 ILE 5 90.267 58.538 58.300 37 1HD1 ILE 5 1HD1 ILE 5 91.327 58.069 54.444 38 2HD1 ILE 5 2HD1 ILE 5 90.738 59.707 54.728 39 3HD1 ILE 5 3HD1 ILE 5 92.210 59.448 53.790 40 H GLN 6 H GLN 6 95.199 56.655 58.653 41 HA GLN 6 HA GLN 6 95.793 59.422 59.617 42 1HB GLN 6 1HB GLN 6 96.759 56.659 60.420 43 2HB GLN 6 2HB GLN 6 97.312 58.157 61.170 44 1HG GLN 6 1HG GLN 6 94.575 58.444 61.258 45 2HG GLN 6 2HG GLN 6 94.777 56.713 61.527 46 1HE2 GLN 6 2HE2 GLN 6 95.887 56.024 63.474 47 2HE2 GLN 6 1HE2 GLN 6 96.251 57.108 64.730 48 H ILE 7 H ILE 7 98.309 59.771 59.757 49 HA ILE 7 HA ILE 7 99.419 59.196 57.051 50 HB ILE 7 HB ILE 7 100.293 61.109 59.241 51 1HG1 ILE 7 1HG1 ILE 7 98.004 61.590 58.435 52 2HG1 ILE 7 2HG1 ILE 7 99.138 62.829 57.892 53 1HG2 ILE 7 1HG2 ILE 7 101.315 60.400 56.573 54 2HG2 ILE 7 2HG2 ILE 7 101.084 62.131 56.810 55 3HG2 ILE 7 3HG2 ILE 7 102.126 61.223 57.905 56 1HD1 ILE 7 1HD1 ILE 7 99.349 61.637 55.715 57 2HD1 ILE 7 2HD1 ILE 7 98.136 60.478 56.258 58 3HD1 ILE 7 3HD1 ILE 7 97.698 62.172 56.028 59 HA PRO 8 HA PRO 8 101.856 56.192 59.425 60 1HB PRO 8 1HB PRO 8 102.769 54.821 57.241 61 2HB PRO 8 2HB PRO 8 101.175 54.536 57.968 62 1HG PRO 8 1HG PRO 8 101.899 56.129 55.563 63 2HG PRO 8 2HG PRO 8 100.517 55.058 55.832 64 1HD PRO 8 1HD PRO 8 100.339 57.763 55.966 65 2HD PRO 8 2HD PRO 8 99.305 56.674 56.919 66 HA PRO 9 HA PRO 9 105.698 58.319 58.954 67 1HB PRO 9 1HB PRO 9 107.359 56.536 60.202 68 2HB PRO 9 2HB PRO 9 106.236 57.589 61.083 69 1HG PRO 9 1HG PRO 9 105.962 54.713 60.362 70 2HG PRO 9 2HG PRO 9 105.497 55.554 61.849 71 1HD PRO 9 1HD PRO 9 103.719 54.861 59.910 72 2HD PRO 9 2HD PRO 9 103.498 56.262 60.983 73 H GLY 10 H GLY 10 107.980 57.859 58.063 74 1HA GLY 10 1HA GLY 10 109.435 56.538 56.641 75 2HA GLY 10 2HA GLY 10 108.039 55.565 56.171 76 H LEU 11 H LEU 11 106.323 57.903 55.716 77 HA LEU 11 HA LEU 11 107.246 58.544 52.991 78 1HB LEU 11 1HB LEU 11 104.925 57.833 53.534 79 2HB LEU 11 2HB LEU 11 104.736 59.272 54.535 80 HG LEU 11 HG LEU 11 105.596 60.427 52.247 81 1HD1 LEU 11 1HD1 LEU 11 104.766 57.718 51.551 82 2HD1 LEU 11 2HD1 LEU 11 103.818 58.936 50.696 83 3HD1 LEU 11 3HD1 LEU 11 105.576 58.928 50.556 84 1HD2 LEU 11 1HD2 LEU 11 103.364 60.538 53.724 85 2HD2 LEU 11 2HD2 LEU 11 103.456 61.282 52.127 86 3HD2 LEU 11 3HD2 LEU 11 102.700 59.701 52.321 87 H THR 12 H THR 12 106.484 60.261 56.026 88 HA THR 12 HA THR 12 106.830 62.927 55.120 89 HB THR 12 HB THR 12 107.494 61.630 57.785 90 HG1 THR 12 HG1 THR 12 105.405 61.284 57.542 91 1HG2 THR 12 1HG2 THR 12 108.427 63.936 57.452 92 2HG2 THR 12 2HG2 THR 12 106.783 64.510 57.169 93 3HG2 THR 12 3HG2 THR 12 107.225 63.841 58.740 94 H GLU 13 H GLU 13 109.243 60.879 56.796 95 HA GLU 13 HA GLU 13 111.485 62.561 56.508 96 1HB GLU 13 1HB GLU 13 111.289 60.460 57.849 97 2HB GLU 13 2HB GLU 13 111.351 59.531 56.351 98 1HG GLU 13 1HG GLU 13 113.595 59.505 56.721 99 2HG GLU 13 2HG GLU 13 113.544 61.143 56.068 100 H LEU 14 H LEU 14 109.875 60.540 54.141 101 HA LEU 14 HA LEU 14 112.053 60.553 52.197 102 1HB LEU 14 1HB LEU 14 109.310 59.541 52.524 103 2HB LEU 14 2HB LEU 14 109.693 60.002 50.866 104 HG LEU 14 HG LEU 14 111.667 58.366 52.424 105 1HD1 LEU 14 1HD1 LEU 14 108.979 57.554 51.924 106 2HD1 LEU 14 2HD1 LEU 14 110.019 56.667 50.810 107 3HD1 LEU 14 3HD1 LEU 14 110.309 56.577 52.547 108 1HD2 LEU 14 1HD2 LEU 14 110.922 58.823 49.536 109 2HD2 LEU 14 2HD2 LEU 14 112.483 59.067 50.320 110 3HD2 LEU 14 3HD2 LEU 14 111.897 57.432 50.012 111 H LEU 15 H LEU 15 108.899 62.238 52.439 112 HA LEU 15 HA LEU 15 109.301 63.895 50.119 113 1HB LEU 15 1HB LEU 15 107.440 63.585 52.388 114 2HB LEU 15 2HB LEU 15 107.539 65.231 51.760 115 HG LEU 15 HG LEU 15 107.067 64.421 49.493 116 1HD1 LEU 15 1HD1 LEU 15 106.910 61.699 50.827 117 2HD1 LEU 15 2HD1 LEU 15 106.452 62.036 49.157 118 3HD1 LEU 15 3HD1 LEU 15 108.132 62.216 49.665 119 1HD2 LEU 15 1HD2 LEU 15 105.163 63.457 51.647 120 2HD2 LEU 15 2HD2 LEU 15 105.125 65.005 50.802 121 3HD2 LEU 15 3HD2 LEU 15 104.740 63.519 49.935 122 H GLN 16 H GLN 16 109.554 64.660 53.624 123 HA GLN 16 HA GLN 16 110.480 67.312 53.430 124 1HB GLN 16 1HB GLN 16 110.067 65.395 55.380 125 2HB GLN 16 2HB GLN 16 111.812 65.643 55.460 126 1HG GLN 16 1HG GLN 16 111.092 68.204 55.330 127 2HG GLN 16 2HG GLN 16 109.596 67.569 56.015 128 1HE2 GLN 16 2HE2 GLN 16 113.156 67.531 56.561 129 2HE2 GLN 16 1HE2 GLN 16 113.044 67.364 58.247 130 H GLY 17 H GLY 17 112.370 64.275 53.307 131 1HA GLY 17 1HA GLY 17 114.960 65.404 53.169 132 2HA GLY 17 2HA GLY 17 114.510 63.868 52.422 133 H TYR 18 H TYR 18 112.764 64.528 50.480 134 HA TYR 18 HA TYR 18 114.244 65.398 48.281 135 1HB TYR 18 1HB TYR 18 111.783 64.429 48.729 136 2HB TYR 18 2HB TYR 18 111.352 66.121 48.483 137 HD1 TYR 18 HD1 TYR 18 113.975 63.908 46.957 138 HD2 TYR 18 HD2 TYR 18 110.530 66.424 46.318 139 HE1 TYR 18 HE1 TYR 18 114.216 63.612 44.486 140 HE2 TYR 18 HE2 TYR 18 110.768 66.132 43.856 141 HH TYR 18 HH TYR 18 111.754 64.676 42.263 142 H THR 19 H THR 19 112.043 67.369 50.297 143 HA THR 19 HA THR 19 112.375 69.861 49.012 144 HB THR 19 HB THR 19 111.939 69.079 51.911 145 HG1 THR 19 HG1 THR 19 110.222 69.786 49.772 146 1HG2 THR 19 1HG2 THR 19 112.750 71.468 51.540 147 2HG2 THR 19 2HG2 THR 19 111.259 71.733 50.636 148 3HG2 THR 19 3HG2 THR 19 111.189 71.300 52.345 149 H VAL 20 H VAL 20 114.396 68.266 51.464 150 HA VAL 20 HA VAL 20 116.161 70.543 51.864 151 HB VAL 20 HB VAL 20 116.510 67.578 52.414 152 1HG1 VAL 20 1HG1 VAL 20 117.903 70.065 53.432 153 2HG1 VAL 20 2HG1 VAL 20 117.999 68.512 54.262 154 3HG1 VAL 20 3HG1 VAL 20 118.629 68.677 52.623 155 1HG2 VAL 20 1HG2 VAL 20 114.662 69.463 53.480 156 2HG2 VAL 20 2HG2 VAL 20 114.974 67.821 54.044 157 3HG2 VAL 20 3HG2 VAL 20 115.881 69.173 54.721 158 H GLU 21 H GLU 21 116.035 67.876 49.587 159 HA GLU 21 HA GLU 21 118.839 68.243 48.725 160 1HB GLU 21 1HB GLU 21 116.830 66.695 47.129 161 2HB GLU 21 2HB GLU 21 118.501 66.293 47.500 162 1HG GLU 21 1HG GLU 21 117.363 66.226 49.991 163 2HG GLU 21 2HG GLU 21 116.034 65.660 48.979 164 H VAL 22 H VAL 22 115.659 68.429 47.134 165 HA VAL 22 HA VAL 22 116.356 69.620 44.717 166 HB VAL 22 HB VAL 22 113.966 70.248 46.483 167 1HG1 VAL 22 1HG1 VAL 22 114.508 71.530 44.248 168 2HG1 VAL 22 2HG1 VAL 22 113.934 70.043 43.495 169 3HG1 VAL 22 3HG1 VAL 22 112.869 70.959 44.562 170 1HG2 VAL 22 1HG2 VAL 22 114.861 67.761 45.491 171 2HG2 VAL 22 2HG2 VAL 22 113.273 68.122 46.165 172 3HG2 VAL 22 3HG2 VAL 22 113.543 68.249 44.428 173 H LEU 23 H LEU 23 116.133 71.150 47.899 174 HA LEU 23 HA LEU 23 116.386 73.871 46.824 175 1HB LEU 23 1HB LEU 23 115.199 73.085 48.957 176 2HB LEU 23 2HB LEU 23 116.807 72.893 49.658 177 HG LEU 23 HG LEU 23 117.051 75.385 48.630 178 1HD1 LEU 23 1HD1 LEU 23 114.148 74.821 48.943 179 2HD1 LEU 23 2HD1 LEU 23 114.719 76.362 49.583 180 3HD1 LEU 23 3HD1 LEU 23 114.963 75.969 47.882 181 1HD2 LEU 23 1HD2 LEU 23 116.312 74.248 51.263 182 2HD2 LEU 23 2HD2 LEU 23 117.629 75.341 50.839 183 3HD2 LEU 23 3HD2 LEU 23 116.000 75.975 51.079 184 H ARG 24 H ARG 24 118.511 71.459 48.358 185 HA ARG 24 HA ARG 24 120.823 73.239 48.461 186 1HB ARG 24 1HB ARG 24 119.988 70.666 49.396 187 2HB ARG 24 2HB ARG 24 121.516 70.464 48.541 188 1HG ARG 24 1HG ARG 24 121.381 72.814 50.334 189 2HG ARG 24 2HG ARG 24 121.339 71.248 51.144 190 1HD ARG 24 1HD ARG 24 123.464 70.642 50.371 191 2HD ARG 24 2HD ARG 24 123.380 71.746 48.983 192 HE ARG 24 HE ARG 24 123.303 73.019 51.647 193 1HH1 ARG 24 1HH1 ARG 24 125.645 71.475 49.819 194 2HH1 ARG 24 2HH1 ARG 24 126.690 72.848 49.668 195 1HH2 ARG 24 1HH2 ARG 24 124.410 75.068 51.047 196 2HH2 ARG 24 2HH2 ARG 24 125.991 74.882 50.363 197 H GLN 25 H GLN 25 119.505 70.939 46.140 198 HA GLN 25 HA GLN 25 121.747 71.633 44.289 199 1HB GLN 25 1HB GLN 25 121.772 69.253 43.610 200 2HB GLN 25 2HB GLN 25 122.105 69.424 45.333 201 1HG GLN 25 1HG GLN 25 119.261 69.245 44.924 202 2HG GLN 25 2HG GLN 25 120.056 67.889 44.124 203 1HE2 GLN 25 2HE2 GLN 25 120.426 66.136 45.480 204 2HE2 GLN 25 1HE2 GLN 25 120.625 66.226 47.163 205 H GLN 26 H GLN 26 119.363 72.984 44.133 206 HA GLN 26 HA GLN 26 117.119 72.184 42.823 207 1HB GLN 26 1HB GLN 26 118.920 74.546 42.669 208 2HB GLN 26 2HB GLN 26 117.671 74.428 41.429 209 1HG GLN 26 1HG GLN 26 116.229 73.792 43.649 210 2HG GLN 26 2HG GLN 26 117.402 74.917 44.335 211 1HE2 GLN 26 2HE2 GLN 26 115.761 76.605 44.597 212 2HE2 GLN 26 1HE2 GLN 26 115.138 77.439 43.257 213 HA PRO 27 HA PRO 27 119.173 70.210 39.275 214 1HB PRO 27 1HB PRO 27 117.159 68.425 38.789 215 2HB PRO 27 2HB PRO 27 118.424 68.149 40.002 216 1HG PRO 27 1HG PRO 27 115.616 69.048 40.365 217 2HG PRO 27 2HG PRO 27 116.606 67.991 41.383 218 1HD PRO 27 1HD PRO 27 116.104 70.635 41.930 219 2HD PRO 27 2HD PRO 27 117.515 69.743 42.531 220 HA PRO 28 HA PRO 28 116.979 72.304 36.086 221 1HB PRO 28 1HB PRO 28 117.255 70.635 33.936 222 2HB PRO 28 2HB PRO 28 118.594 71.604 34.584 223 1HG PRO 28 1HG PRO 28 117.972 68.721 34.995 224 2HG PRO 28 2HG PRO 28 119.537 69.516 34.763 225 1HD PRO 28 1HD PRO 28 118.618 68.723 37.196 226 2HD PRO 28 2HD PRO 28 119.718 70.100 36.971 227 H ASP 29 H ASP 29 116.214 68.820 36.248 228 HA ASP 29 HA ASP 29 113.352 69.510 35.661 229 1HB ASP 29 1HB ASP 29 115.086 67.139 34.921 230 2HB ASP 29 2HB ASP 29 113.332 67.130 34.739 231 H LEU 30 H LEU 30 112.184 69.277 37.526 232 HA LEU 30 HA LEU 30 113.098 67.769 39.817 233 1HB LEU 30 1HB LEU 30 111.460 69.807 39.517 234 2HB LEU 30 2HB LEU 30 110.240 68.560 39.271 235 HG LEU 30 HG LEU 30 110.366 69.271 41.644 236 1HD1 LEU 30 1HD1 LEU 30 110.123 66.747 40.688 237 2HD1 LEU 30 2HD1 LEU 30 111.517 66.538 41.748 238 3HD1 LEU 30 3HD1 LEU 30 109.996 67.147 42.400 239 1HD2 LEU 30 1HD2 LEU 30 112.928 69.685 41.406 240 2HD2 LEU 30 2HD2 LEU 30 112.322 69.051 42.937 241 3HD2 LEU 30 3HD2 LEU 30 113.081 67.967 41.772 242 H VAL 31 H VAL 31 110.598 67.176 37.333 243 HA VAL 31 HA VAL 31 109.523 64.748 38.251 244 HB VAL 31 HB VAL 31 110.257 65.568 35.418 245 1HG1 VAL 31 1HG1 VAL 31 109.475 63.174 35.840 246 2HG1 VAL 31 2HG1 VAL 31 107.938 63.863 36.364 247 3HG1 VAL 31 3HG1 VAL 31 108.496 64.107 34.708 248 1HG2 VAL 31 1HG2 VAL 31 108.258 66.535 37.377 249 2HG2 VAL 31 2HG2 VAL 31 108.928 67.346 35.960 250 3HG2 VAL 31 3HG2 VAL 31 107.613 66.186 35.772 251 H ASP 32 H ASP 32 112.165 65.067 35.868 252 HA ASP 32 HA ASP 32 112.958 62.346 35.836 253 1HB ASP 32 1HB ASP 32 113.594 64.712 34.594 254 2HB ASP 32 2HB ASP 32 115.059 64.396 35.527 255 H PHE 33 H PHE 33 114.002 65.045 37.925 256 HA PHE 33 HA PHE 33 116.138 63.715 39.260 257 1HB PHE 33 1HB PHE 33 115.687 66.125 39.392 258 2HB PHE 33 2HB PHE 33 114.160 65.810 40.217 259 HD1 PHE 33 HD1 PHE 33 117.733 64.648 40.549 260 HD2 PHE 33 HD2 PHE 33 114.211 66.174 42.525 261 HE1 PHE 33 HE1 PHE 33 118.925 64.566 42.738 262 HE2 PHE 33 HE2 PHE 33 115.400 66.084 44.713 263 HZ PHE 33 HZ PHE 33 117.757 65.284 44.820 264 H ALA 34 H ALA 34 112.675 63.954 40.104 265 HA ALA 34 HA ALA 34 112.626 62.524 42.513 266 1HB ALA 34 1HB ALA 34 110.843 63.480 40.533 267 2HB ALA 34 2HB ALA 34 110.428 61.785 40.782 268 3HB ALA 34 3HB ALA 34 110.426 62.902 42.146 269 H VAL 35 H VAL 35 112.712 61.240 39.187 270 HA VAL 35 HA VAL 35 112.400 58.472 39.947 271 HB VAL 35 HB VAL 35 113.637 59.785 37.506 272 1HG1 VAL 35 1HG1 VAL 35 112.538 57.029 38.070 273 2HG1 VAL 35 2HG1 VAL 35 112.741 57.649 36.433 274 3HG1 VAL 35 3HG1 VAL 35 114.144 57.456 37.483 275 1HG2 VAL 35 1HG2 VAL 35 110.824 59.367 38.428 276 2HG2 VAL 35 2HG2 VAL 35 111.508 60.689 37.482 277 3HG2 VAL 35 3HG2 VAL 35 111.164 59.139 36.713 278 H GLU 36 H GLU 36 115.275 60.315 38.828 279 HA GLU 36 HA GLU 36 117.213 58.305 39.236 280 1HB GLU 36 1HB GLU 36 117.365 61.320 39.558 281 2HB GLU 36 2HB GLU 36 118.763 60.262 39.361 282 1HG GLU 36 1HG GLU 36 117.286 59.444 37.251 283 2HG GLU 36 2HG GLU 36 116.740 61.118 37.359 284 H TYR 37 H TYR 37 115.879 60.655 41.558 285 HA TYR 37 HA TYR 37 117.679 60.028 43.716 286 1HB TYR 37 1HB TYR 37 116.385 62.087 43.597 287 2HB TYR 37 2HB TYR 37 114.873 61.180 43.593 288 HD1 TYR 37 HD1 TYR 37 117.967 60.665 45.655 289 HD2 TYR 37 HD2 TYR 37 113.789 61.751 45.617 290 HE1 TYR 37 HE1 TYR 37 117.949 60.677 48.147 291 HE2 TYR 37 HE2 TYR 37 113.770 61.763 48.109 292 HH TYR 37 HH TYR 37 115.137 60.647 49.967 293 H PHE 38 H PHE 38 114.191 59.218 43.482 294 HA PHE 38 HA PHE 38 114.208 57.269 45.552 295 1HB PHE 38 1HB PHE 38 112.471 57.711 43.108 296 2HB PHE 38 2HB PHE 38 112.059 56.573 44.391 297 HD1 PHE 38 HD1 PHE 38 112.890 57.920 46.839 298 HD2 PHE 38 HD2 PHE 38 111.028 59.565 43.307 299 HE1 PHE 38 HE1 PHE 38 111.958 59.791 48.200 300 HE2 PHE 38 HE2 PHE 38 110.097 61.435 44.668 301 HZ PHE 38 HZ PHE 38 110.562 61.547 47.114 302 H THR 39 H THR 39 114.504 56.831 42.004 303 HA THR 39 HA THR 39 114.598 54.005 41.941 304 HB THR 39 HB THR 39 116.070 56.067 40.268 305 HG1 THR 39 HG1 THR 39 114.237 56.258 39.199 306 1HG2 THR 39 1HG2 THR 39 116.886 53.716 40.000 307 2HG2 THR 39 2HG2 THR 39 115.245 53.239 39.565 308 3HG2 THR 39 3HG2 THR 39 116.137 54.362 38.539 309 H ARG 40 H ARG 40 117.257 56.345 42.435 310 HA ARG 40 HA ARG 40 119.319 54.307 42.622 311 1HB ARG 40 1HB ARG 40 119.461 56.813 42.023 312 2HB ARG 40 2HB ARG 40 119.382 57.106 43.761 313 1HG ARG 40 1HG ARG 40 121.489 56.306 44.126 314 2HG ARG 40 2HG ARG 40 121.327 55.041 42.907 315 1HD ARG 40 1HD ARG 40 121.713 56.638 41.111 316 2HD ARG 40 2HD ARG 40 121.714 57.987 42.265 317 HE ARG 40 HE ARG 40 123.618 55.948 43.041 318 1HH1 ARG 40 1HH1 ARG 40 123.455 57.467 40.097 319 2HH1 ARG 40 2HH1 ARG 40 124.938 58.351 40.250 320 1HH2 ARG 40 1HH2 ARG 40 125.364 57.567 43.602 321 2HH2 ARG 40 2HH2 ARG 40 126.019 58.407 42.236 322 H LEU 41 H LEU 41 117.111 55.826 44.893 323 HA LEU 41 HA LEU 41 118.455 55.292 47.343 324 1HB LEU 41 1HB LEU 41 116.115 56.441 46.509 325 2HB LEU 41 2HB LEU 41 115.515 54.960 47.260 326 HG LEU 41 HG LEU 41 116.898 55.508 49.286 327 1HD1 LEU 41 1HD1 LEU 41 117.531 57.861 47.549 328 2HD1 LEU 41 2HD1 LEU 41 117.408 58.116 49.289 329 3HD1 LEU 41 3HD1 LEU 41 118.581 56.966 48.648 330 1HD2 LEU 41 1HD2 LEU 41 114.427 56.159 48.896 331 2HD2 LEU 41 2HD2 LEU 41 115.291 57.008 50.179 332 3HD2 LEU 41 3HD2 LEU 41 115.036 57.792 48.620 333 H ARG 42 H ARG 42 116.378 53.229 45.325 334 HA ARG 42 HA ARG 42 115.974 51.064 47.100 335 1HB ARG 42 1HB ARG 42 116.385 51.194 44.096 336 2HB ARG 42 2HB ARG 42 115.750 49.783 44.940 337 1HG ARG 42 1HG ARG 42 114.381 52.242 45.721 338 2HG ARG 42 2HG ARG 42 114.244 51.921 43.992 339 1HD ARG 42 1HD ARG 42 113.675 49.825 46.114 340 2HD ARG 42 2HD ARG 42 112.420 50.837 45.371 341 HE ARG 42 HE ARG 42 113.627 49.914 43.153 342 1HH1 ARG 42 1HH1 ARG 42 111.922 48.502 45.717 343 2HH1 ARG 42 2HH1 ARG 42 112.093 46.874 45.149 344 1HH2 ARG 42 1HH2 ARG 42 114.240 47.724 42.561 345 2HH2 ARG 42 2HH2 ARG 42 113.405 46.434 43.360 346 H GLU 43 H GLU 43 118.730 51.749 44.936 347 HA GLU 43 HA GLU 43 120.130 49.283 45.669 348 1HB GLU 43 1HB GLU 43 120.779 51.790 44.104 349 2HB GLU 43 2HB GLU 43 121.960 50.500 44.338 350 1HG GLU 43 1HG GLU 43 119.250 49.698 43.395 351 2HG GLU 43 2HG GLU 43 120.287 50.533 42.237 352 H ALA 44 H ALA 44 120.151 52.663 46.680 353 HA ALA 44 HA ALA 44 122.595 52.865 48.052 354 1HB ALA 44 1HB ALA 44 120.070 54.188 47.901 355 2HB ALA 44 2HB ALA 44 120.480 54.020 49.610 356 3HB ALA 44 3HB ALA 44 121.594 54.837 48.507 357 H ARG 45 H ARG 45 119.539 52.284 49.782 358 HA ARG 45 HA ARG 45 120.598 51.338 52.173 359 1HB ARG 45 1HB ARG 45 118.070 50.794 50.627 360 2HB ARG 45 2HB ARG 45 118.327 50.053 52.206 361 1HG ARG 45 1HG ARG 45 118.794 52.998 51.910 362 2HG ARG 45 2HG ARG 45 117.135 52.407 52.017 363 1HD ARG 45 1HD ARG 45 117.832 51.131 54.107 364 2HD ARG 45 2HD ARG 45 119.354 52.043 54.051 365 HE ARG 45 HE ARG 45 117.009 53.755 53.791 366 1HH1 ARG 45 1HH1 ARG 45 119.504 54.628 55.145 367 2HH1 ARG 45 2HH1 ARG 45 119.057 54.597 56.818 368 1HH2 ARG 45 1HH2 ARG 45 116.253 52.622 56.305 369 2HH2 ARG 45 2HH2 ARG 45 117.218 53.460 57.475 370 H ARG 46 H ARG 46 119.843 49.469 49.243 371 HA ARG 46 HA ARG 46 121.407 47.182 50.397 372 1HB ARG 46 1HB ARG 46 118.918 46.873 50.307 373 2HB ARG 46 2HB ARG 46 118.994 47.093 48.559 374 1HG ARG 46 1HG ARG 46 119.849 45.016 48.208 375 2HG ARG 46 2HG ARG 46 120.900 45.107 49.622 376 1HD ARG 46 1HD ARG 46 119.087 44.524 51.109 377 2HD ARG 46 2HD ARG 46 117.898 44.676 49.799 378 HE ARG 46 HE ARG 46 120.082 42.784 49.256 379 1HH1 ARG 46 1HH2 ARG 46 118.784 41.570 51.576 380 2HH1 ARG 46 2HH2 ARG 46 117.454 40.701 50.886 381 1HH2 ARG 46 1HH1 ARG 46 117.548 42.419 47.875 382 2HH2 ARG 46 2HH1 ARG 46 116.754 41.182 48.791 383 1H HIS 1 1H HIS 1 118.092 85.581 38.113 384 2H HIS 1 2H HIS 1 117.097 84.208 38.153 385 3H HIS 1 3H HIS 1 116.895 85.436 39.310 386 HA HIS 1 HA HIS 1 118.054 83.751 40.447 387 1HB HIS 1 1HB HIS 1 118.555 82.832 38.007 388 2HB HIS 1 2HB HIS 1 120.105 83.635 38.260 389 HD1 HIS 1 HD1 HIS 1 120.667 83.092 41.175 390 HD2 HIS 1 HD2 HIS 1 119.081 80.188 38.640 391 HE1 HIS 1 HE1 HIS 1 121.198 80.852 42.230 392 H MET 2 H MET 2 118.557 85.518 41.837 393 HA MET 2 HA MET 2 121.272 86.688 41.413 394 1HB MET 2 1HB MET 2 119.145 88.091 40.700 395 2HB MET 2 2HB MET 2 119.008 88.377 42.435 396 1HG MET 2 1HG MET 2 120.800 89.764 42.461 397 2HG MET 2 2HG MET 2 121.742 88.705 41.413 398 1HE MET 2 1HE MET 2 118.531 90.517 41.553 399 2HE MET 2 2HE MET 2 119.417 92.034 41.410 400 3HE MET 2 3HE MET 2 118.383 91.482 40.086 401 H GLY 3 H GLY 3 120.013 84.607 43.243 402 1HA GLY 3 1HA GLY 3 120.842 84.061 45.453 403 2HA GLY 3 2HA GLY 3 121.022 85.787 45.779 404 H HIS 4 H HIS 4 118.806 83.096 45.790 405 HA HIS 4 HA HIS 4 116.997 84.545 47.587 406 1HB HIS 4 1HB HIS 4 115.066 84.357 46.030 407 2HB HIS 4 2HB HIS 4 116.340 85.380 45.366 408 HD1 HIS 4 HD1 HIS 4 114.463 82.262 44.739 409 HD2 HIS 4 HD2 HIS 4 117.956 84.044 43.323 410 HE1 HIS 4 HE1 HIS 4 115.082 81.035 42.612 411 H ILE 5 H ILE 5 116.153 83.032 48.975 412 HA ILE 5 HA ILE 5 116.239 80.158 48.129 413 HB ILE 5 HB ILE 5 117.682 80.821 50.014 414 1HG1 ILE 5 1HG1 ILE 5 115.665 79.461 51.615 415 2HG1 ILE 5 2HG1 ILE 5 115.791 78.754 50.004 416 1HG2 ILE 5 1HG2 ILE 5 115.257 82.282 50.756 417 2HG2 ILE 5 2HG2 ILE 5 115.929 81.361 52.101 418 3HG2 ILE 5 3HG2 ILE 5 116.925 82.551 51.261 419 1HD1 ILE 5 1HD1 ILE 5 118.370 78.886 50.431 420 2HD1 ILE 5 2HD1 ILE 5 117.904 78.996 52.128 421 3HD1 ILE 5 3HD1 ILE 5 117.444 77.585 51.177 422 H GLN 6 H GLN 6 114.030 81.052 47.092 423 HA GLN 6 HA GLN 6 111.841 80.931 49.124 424 1HB GLN 6 1HB GLN 6 111.986 81.853 46.235 425 2HB GLN 6 2HB GLN 6 110.513 81.874 47.205 426 1HG GLN 6 1HG GLN 6 112.318 83.130 48.865 427 2HG GLN 6 2HG GLN 6 112.822 83.693 47.271 428 1HE2 GLN 6 1HE2 GLN 6 111.321 85.017 46.047 429 2HE2 GLN 6 2HE2 GLN 6 109.915 85.660 46.748 430 H ILE 7 H ILE 7 109.787 79.813 48.122 431 HA ILE 7 HA ILE 7 110.648 77.134 47.140 432 HB ILE 7 HB ILE 7 108.009 78.138 48.256 433 1HG1 ILE 7 1HG1 ILE 7 109.863 78.377 49.877 434 2HG1 ILE 7 2HG1 ILE 7 108.759 77.092 50.367 435 1HG2 ILE 7 1HG2 ILE 7 108.976 75.566 47.202 436 2HG2 ILE 7 2HG2 ILE 7 108.230 75.447 48.796 437 3HG2 ILE 7 3HG2 ILE 7 107.323 76.131 47.447 438 1HD1 ILE 7 1HD1 ILE 7 110.278 75.425 49.308 439 2HD1 ILE 7 2HD1 ILE 7 111.403 76.729 48.926 440 3HD1 ILE 7 3HD1 ILE 7 111.066 76.321 50.608 441 HA PRO 8 HA PRO 8 109.021 78.784 43.236 442 1HB PRO 8 1HB PRO 8 110.115 76.834 41.661 443 2HB PRO 8 2HB PRO 8 111.022 78.255 42.217 444 1HG PRO 8 1HG PRO 8 111.018 75.477 43.282 445 2HG PRO 8 2HG PRO 8 112.368 76.601 43.068 446 1HD PRO 8 1HD PRO 8 111.197 76.139 45.473 447 2HD PRO 8 2HD PRO 8 111.947 77.693 45.042 448 HA PRO 9 HA PRO 9 105.514 76.103 43.087 449 1HB PRO 9 1HB PRO 9 104.477 76.845 40.664 450 2HB PRO 9 2HB PRO 9 104.353 77.853 42.120 451 1HG PRO 9 1HG PRO 9 106.235 78.070 39.823 452 2HG PRO 9 2HG PRO 9 105.418 79.348 40.738 453 1HD PRO 9 1HD PRO 9 108.026 78.672 41.122 454 2HD PRO 9 2HD PRO 9 106.993 79.346 42.402 455 H GLY 10 H GLY 10 104.530 74.409 41.544 456 1HA GLY 10 1HA GLY 10 104.816 72.850 39.707 457 2HA GLY 10 2HA GLY 10 106.513 73.325 39.611 458 H LEU 11 H LEU 11 106.928 73.151 42.510 459 HA LEU 11 HA LEU 11 107.376 70.240 42.668 460 1HB LEU 11 1HB LEU 11 109.103 71.939 43.238 461 2HB LEU 11 2HB LEU 11 108.067 72.531 44.537 462 HG LEU 11 HG LEU 11 108.102 69.899 45.152 463 1HD1 LEU 11 1HD1 LEU 11 110.300 70.345 43.286 464 2HD1 LEU 11 2HD1 LEU 11 110.872 69.750 44.845 465 3HD1 LEU 11 3HD1 LEU 11 109.675 68.829 43.933 466 1HD2 LEU 11 1HD2 LEU 11 108.903 72.155 46.355 467 2HD2 LEU 11 2HD2 LEU 11 109.324 70.566 46.994 468 3HD2 LEU 11 3HD2 LEU 11 110.491 71.464 46.024 469 H THR 12 H THR 12 105.574 72.764 44.436 470 HA THR 12 HA THR 12 104.581 71.178 46.568 471 HB THR 12 HB THR 12 103.312 73.471 45.036 472 HG1 THR 12 HG1 THR 12 105.106 74.303 45.826 473 1HG2 THR 12 1HG2 THR 12 101.758 72.194 46.537 474 2HG2 THR 12 2HG2 THR 12 102.834 72.563 47.885 475 3HG2 THR 12 3HG2 THR 12 102.005 73.868 47.037 476 H GLU 13 H GLU 13 102.899 72.009 43.517 477 HA GLU 13 HA GLU 13 100.657 70.327 43.808 478 1HB GLU 13 1HB GLU 13 101.064 72.075 42.066 479 2HB GLU 13 2HB GLU 13 102.218 70.990 41.288 480 1HG GLU 13 1HG GLU 13 100.410 70.287 40.097 481 2HG GLU 13 2HG GLU 13 100.041 69.353 41.548 482 H LEU 14 H LEU 14 103.970 69.535 42.983 483 HA LEU 14 HA LEU 14 103.396 66.874 41.931 484 1HB LEU 14 1HB LEU 14 105.672 68.657 42.472 485 2HB LEU 14 2HB LEU 14 106.045 66.951 42.721 486 HG LEU 14 HG LEU 14 104.553 67.779 40.253 487 1HD1 LEU 14 1HD1 LEU 14 107.129 68.781 40.957 488 2HD1 LEU 14 2HD1 LEU 14 107.356 67.568 39.697 489 3HD1 LEU 14 3HD1 LEU 14 106.287 68.942 39.416 490 1HD2 LEU 14 1HD2 LEU 14 106.379 65.539 41.120 491 2HD2 LEU 14 2HD2 LEU 14 104.732 65.436 40.499 492 3HD2 LEU 14 3HD2 LEU 14 106.060 65.839 39.412 493 H LEU 15 H LEU 15 104.789 68.110 44.996 494 HA LEU 15 HA LEU 15 104.942 65.536 46.278 495 1HB LEU 15 1HB LEU 15 105.253 68.404 46.905 496 2HB LEU 15 2HB LEU 15 104.758 67.418 48.281 497 HG LEU 15 HG LEU 15 106.644 65.897 47.902 498 1HD1 LEU 15 1HD1 LEU 15 107.305 67.775 45.611 499 2HD1 LEU 15 2HD1 LEU 15 108.349 66.475 46.186 500 3HD1 LEU 15 3HD1 LEU 15 106.786 66.095 45.459 501 1HD2 LEU 15 1HD2 LEU 15 107.344 68.845 47.991 502 2HD2 LEU 15 2HD2 LEU 15 107.105 67.763 49.362 503 3HD2 LEU 15 3HD2 LEU 15 108.509 67.562 48.315 504 H GLN 16 H GLN 16 102.594 68.228 46.690 505 HA GLN 16 HA GLN 16 100.818 66.992 48.490 506 1HB GLN 16 1HB GLN 16 100.980 69.316 47.003 507 2HB GLN 16 2HB GLN 16 99.563 68.526 46.311 508 1HG GLN 16 1HG GLN 16 98.981 68.115 48.877 509 2HG GLN 16 2HG GLN 16 99.999 69.541 49.088 510 1HE2 GLN 16 2HE2 GLN 16 97.156 68.390 47.200 511 2HE2 GLN 16 1HE2 GLN 16 96.441 69.923 47.061 512 H GLY 17 H GLY 17 100.897 66.764 44.921 513 1HA GLY 17 1HA GLY 17 98.576 65.187 44.555 514 2HA GLY 17 2HA GLY 17 99.988 65.129 43.494 515 H TYR 18 H TYR 18 101.957 64.106 45.025 516 HA TYR 18 HA TYR 18 101.627 61.336 45.072 517 1HB TYR 18 1HB TYR 18 103.619 63.082 45.494 518 2HB TYR 18 2HB TYR 18 103.289 62.656 47.175 519 HD1 TYR 18 HD1 TYR 18 103.188 60.692 43.975 520 HD2 TYR 18 HD2 TYR 18 104.870 61.109 47.925 521 HE1 TYR 18 HE1 TYR 18 104.428 58.541 43.675 522 HE2 TYR 18 HE2 TYR 18 106.107 58.967 47.631 523 HH TYR 18 HH TYR 18 106.877 57.505 45.924 524 H THR 19 H THR 19 101.278 63.584 47.831 525 HA THR 19 HA THR 19 100.570 61.723 49.833 526 HB THR 19 HB THR 19 99.738 64.593 49.299 527 HG1 THR 19 HG1 THR 19 101.772 63.378 50.854 528 1HG2 THR 19 1HG2 THR 19 98.259 63.321 50.941 529 2HG2 THR 19 2HG2 THR 19 99.690 63.164 51.961 530 3HG2 THR 19 3HG2 THR 19 99.052 64.762 51.577 531 H VAL 20 H VAL 20 98.562 63.285 47.351 532 HA VAL 20 HA VAL 20 96.039 62.263 48.372 533 HB VAL 20 HB VAL 20 96.856 63.300 45.639 534 1HG1 VAL 20 1HG1 VAL 20 94.184 62.927 47.013 535 2HG1 VAL 20 2HG1 VAL 20 94.397 63.974 45.610 536 3HG1 VAL 20 3HG1 VAL 20 94.711 62.244 45.475 537 1HG2 VAL 20 1HG2 VAL 20 96.785 64.594 48.173 538 2HG2 VAL 20 2HG2 VAL 20 97.015 65.336 46.589 539 3HG2 VAL 20 3HG2 VAL 20 95.391 65.170 47.259 540 H GLU 21 H GLU 21 98.528 61.026 46.228 541 HA GLU 21 HA GLU 21 96.778 58.915 45.122 542 1HB GLU 21 1HB GLU 21 99.764 58.849 44.881 543 2HB GLU 21 2HB GLU 21 98.543 58.501 43.663 544 1HG GLU 21 1HG GLU 21 98.107 61.167 44.115 545 2HG GLU 21 2HG GLU 21 99.851 61.049 44.347 546 H VAL 22 H VAL 22 99.821 58.963 46.970 547 HA VAL 22 HA VAL 22 100.027 56.289 47.707 548 HB VAL 22 HB VAL 22 100.555 58.738 49.424 549 1HG1 VAL 22 1HG1 VAL 22 100.737 56.264 50.309 550 2HG1 VAL 22 2HG1 VAL 22 102.220 56.249 49.355 551 3HG1 VAL 22 3HG1 VAL 22 102.021 57.422 50.657 552 1HG2 VAL 22 1HG2 VAL 22 101.553 58.094 46.864 553 2HG2 VAL 22 2HG2 VAL 22 102.188 59.307 47.973 554 3HG2 VAL 22 3HG2 VAL 22 102.836 57.666 47.995 555 H LEU 23 H LEU 23 97.841 58.735 49.032 556 HA LEU 23 HA LEU 23 96.973 57.035 51.263 557 1HB LEU 23 1HB LEU 23 97.087 59.595 51.135 558 2HB LEU 23 2HB LEU 23 95.648 59.505 50.119 559 HG LEU 23 HG LEU 23 94.869 57.905 52.160 560 1HD1 LEU 23 1HD1 LEU 23 97.066 59.639 53.165 561 2HD1 LEU 23 2HD1 LEU 23 95.620 59.547 54.169 562 3HD1 LEU 23 3HD1 LEU 23 96.503 58.078 53.759 563 1HD2 LEU 23 1HD2 LEU 23 94.559 60.773 51.486 564 2HD2 LEU 23 2HD2 LEU 23 93.327 59.540 51.753 565 3HD2 LEU 23 3HD2 LEU 23 94.092 60.335 53.129 566 H ARG 24 H ARG 24 95.740 57.963 48.054 567 HA ARG 24 HA ARG 24 93.201 56.559 48.381 568 1HB ARG 24 1HB ARG 24 94.494 58.369 46.581 569 2HB ARG 24 2HB ARG 24 93.922 56.989 45.646 570 1HG ARG 24 1HG ARG 24 92.021 58.010 47.672 571 2HG ARG 24 2HG ARG 24 92.346 59.103 46.325 572 1HD ARG 24 1HD ARG 24 91.484 57.619 44.735 573 2HD ARG 24 2HD ARG 24 91.760 56.202 45.767 574 HE ARG 24 HE ARG 24 89.859 58.203 46.814 575 1HH1 ARG 24 1HH1 ARG 24 89.811 55.947 44.340 576 2HH1 ARG 24 2HH1 ARG 24 88.506 55.004 44.980 577 1HH2 ARG 24 1HH2 ARG 24 88.432 56.683 48.014 578 2HH2 ARG 24 2HH2 ARG 24 87.727 55.420 47.061 579 H GLN 25 H GLN 25 96.403 55.742 47.163 580 HA GLN 25 HA GLN 25 95.425 52.964 46.660 581 1HB GLN 25 1HB GLN 25 96.842 52.956 44.629 582 2HB GLN 25 2HB GLN 25 95.630 54.236 44.551 583 1HG GLN 25 1HG GLN 25 97.982 55.230 45.882 584 2HG GLN 25 2HG GLN 25 98.442 54.514 44.337 585 1HE2 GLN 25 2HE2 GLN 25 98.267 55.931 42.600 586 2HE2 GLN 25 1HE2 GLN 25 97.212 57.257 42.521 587 H GLN 26 H GLN 26 96.616 53.587 49.052 588 HA GLN 26 HA GLN 26 99.285 53.694 49.565 589 1HB GLN 26 1HB GLN 26 96.987 52.158 50.663 590 2HB GLN 26 2HB GLN 26 98.589 51.702 51.244 591 1HG GLN 26 1HG GLN 26 98.768 54.415 51.377 592 2HG GLN 26 2HG GLN 26 97.051 54.187 51.712 593 1HE2 GLN 26 2HE2 GLN 26 97.335 54.749 53.997 594 2HE2 GLN 26 1HE2 GLN 26 98.101 53.683 55.074 595 HA PRO 27 HA PRO 27 100.535 50.205 46.926 596 1HB PRO 27 1HB PRO 27 103.058 51.146 46.453 597 2HB PRO 27 2HB PRO 27 101.640 51.674 45.527 598 1HG PRO 27 1HG PRO 27 103.075 53.046 47.735 599 2HG PRO 27 2HG PRO 27 102.316 53.724 46.287 600 1HD PRO 27 1HD PRO 27 101.188 53.775 48.790 601 2HD PRO 27 2HD PRO 27 100.264 53.860 47.279 602 HA PRO 28 HA PRO 28 102.822 47.970 49.951 603 1HB PRO 28 1HB PRO 28 104.497 46.414 48.444 604 2HB PRO 28 2HB PRO 28 102.751 46.117 48.566 605 1HG PRO 28 1HG PRO 28 104.295 47.458 46.401 606 2HG PRO 28 2HG PRO 28 102.919 46.349 46.286 607 1HD PRO 28 1HD PRO 28 102.686 49.044 46.004 608 2HD PRO 28 2HD PRO 28 101.380 48.012 46.625 609 H ASP 29 H ASP 29 104.879 49.308 47.357 610 HA ASP 29 HA ASP 29 106.939 49.950 49.443 611 1HB ASP 29 1HB ASP 29 107.148 49.104 46.542 612 2HB ASP 29 2HB ASP 29 108.516 49.753 47.446 613 H LEU 30 H LEU 30 106.927 52.134 49.789 614 HA LEU 30 HA LEU 30 105.764 54.045 47.955 615 1HB LEU 30 1HB LEU 30 106.171 54.039 50.554 616 2HB LEU 30 2HB LEU 30 107.751 54.693 50.129 617 HG LEU 30 HG LEU 30 106.108 56.489 50.594 618 1HD1 LEU 30 1HD1 LEU 30 107.931 56.400 48.593 619 2HD1 LEU 30 2HD1 LEU 30 106.470 56.718 47.658 620 3HD1 LEU 30 3HD1 LEU 30 106.953 57.823 48.944 621 1HD2 LEU 30 1HD2 LEU 30 104.191 55.010 49.628 622 2HD2 LEU 30 2HD2 LEU 30 104.122 56.750 49.357 623 3HD2 LEU 30 3HD2 LEU 30 104.673 55.679 48.069 624 H VAL 31 H VAL 31 109.133 53.211 48.816 625 HA VAL 31 HA VAL 31 110.542 55.082 47.262 626 HB VAL 31 HB VAL 31 111.104 52.124 47.671 627 1HG1 VAL 31 1HG1 VAL 31 112.541 53.425 46.015 628 2HG1 VAL 31 2HG1 VAL 31 113.068 54.410 47.379 629 3HG1 VAL 31 3HG1 VAL 31 113.413 52.681 47.357 630 1HG2 VAL 31 1HG2 VAL 31 111.097 54.472 49.474 631 2HG2 VAL 31 2HG2 VAL 31 110.976 52.756 49.863 632 3HG2 VAL 31 3HG2 VAL 31 112.554 53.482 49.556 633 H ASP 32 H ASP 32 109.716 51.759 46.248 634 HA ASP 32 HA ASP 32 110.396 52.034 43.510 635 1HB ASP 32 1HB ASP 32 109.502 50.102 45.249 636 2HB ASP 32 2HB ASP 32 108.103 50.304 44.191 637 H PHE 33 H PHE 33 107.327 52.680 45.216 638 HA PHE 33 HA PHE 33 105.696 53.172 42.933 639 1HB PHE 33 1HB PHE 33 104.858 52.900 45.226 640 2HB PHE 33 2HB PHE 33 105.679 54.382 45.718 641 HD1 PHE 33 HD1 PHE 33 103.450 53.314 42.868 642 HD2 PHE 33 HD2 PHE 33 104.280 56.239 45.932 643 HE1 PHE 33 HE1 PHE 33 101.491 54.659 42.114 644 HE2 PHE 33 HE2 PHE 33 102.325 57.586 45.174 645 HZ PHE 33 HZ PHE 33 100.929 56.797 43.269 646 H ALA 34 H ALA 34 107.663 55.415 44.900 647 HA ALA 34 HA ALA 34 107.100 57.848 43.627 648 1HB ALA 34 1HB ALA 34 108.985 56.739 45.425 649 2HB ALA 34 2HB ALA 34 109.926 57.563 44.180 650 3HB ALA 34 3HB ALA 34 108.709 58.451 45.097 651 H VAL 35 H VAL 35 109.346 55.281 42.587 652 HA VAL 35 HA VAL 35 110.438 56.750 40.355 653 HB VAL 35 HB VAL 35 110.208 53.774 40.916 654 1HG1 VAL 35 1HG1 VAL 35 111.964 55.433 39.106 655 2HG1 VAL 35 2HG1 VAL 35 112.383 53.788 39.583 656 3HG1 VAL 35 3HG1 VAL 35 110.911 54.091 38.662 657 1HG2 VAL 35 1HG2 VAL 35 111.960 55.953 41.978 658 2HG2 VAL 35 2HG2 VAL 35 111.353 54.509 42.788 659 3HG2 VAL 35 3HG2 VAL 35 112.704 54.385 41.661 660 H GLU 36 H GLU 36 108.095 54.027 40.480 661 HA GLU 36 HA GLU 36 107.393 53.980 37.748 662 1HB GLU 36 1HB GLU 36 105.746 53.448 40.242 663 2HB GLU 36 2HB GLU 36 105.316 52.900 38.621 664 1HG GLU 36 1HG GLU 36 107.851 51.974 38.747 665 2HG GLU 36 2HG GLU 36 107.429 51.905 40.458 666 H TYR 37 H TYR 37 106.089 56.001 40.376 667 HA TYR 37 HA TYR 37 103.952 57.178 38.844 668 1HB TYR 37 1HB TYR 37 104.014 57.162 41.279 669 2HB TYR 37 2HB TYR 37 105.525 58.073 41.280 670 HD1 TYR 37 HD1 TYR 37 102.449 58.546 39.179 671 HD2 TYR 37 HD2 TYR 37 104.999 60.157 42.267 672 HE1 TYR 37 HE1 TYR 37 101.167 60.684 39.121 673 HE2 TYR 37 HE2 TYR 37 103.719 62.296 42.209 674 HH TYR 37 HH TYR 37 102.274 63.532 40.489 675 H PHE 38 H PHE 38 106.968 58.769 39.958 676 HA PHE 38 HA PHE 38 106.773 61.008 38.217 677 1HB PHE 38 1HB PHE 38 109.093 59.604 39.567 678 2HB PHE 38 2HB PHE 38 109.246 61.170 38.769 679 HD1 PHE 38 HD1 PHE 38 106.765 62.555 39.416 680 HD2 PHE 38 HD2 PHE 38 109.186 59.977 41.894 681 HE1 PHE 38 HE1 PHE 38 105.883 63.687 41.455 682 HE2 PHE 38 HE2 PHE 38 108.304 61.110 43.934 683 HZ PHE 38 HZ PHE 38 106.654 62.964 43.713 684 H THR 39 H THR 39 108.591 57.944 37.799 685 HA THR 39 HA THR 39 109.846 58.543 35.335 686 HB THR 39 HB THR 39 108.709 55.934 36.392 687 HG1 THR 39 HG1 THR 39 110.503 55.814 37.534 688 1HG2 THR 39 1HG2 THR 39 109.327 55.909 33.966 689 2HG2 THR 39 2HG2 THR 39 110.958 56.405 34.417 690 3HG2 THR 39 3HG2 THR 39 110.331 54.845 34.950 691 H ARG 40 H ARG 40 106.598 57.181 35.950 692 HA ARG 40 HA ARG 40 105.939 56.893 33.135 693 1HB ARG 40 1HB ARG 40 105.005 55.698 35.224 694 2HB ARG 40 2HB ARG 40 104.027 57.147 35.463 695 1HG ARG 40 1HG ARG 40 102.678 56.695 33.678 696 2HG ARG 40 2HG ARG 40 104.002 56.036 32.717 697 1HD ARG 40 1HD ARG 40 103.924 53.933 33.941 698 2HD ARG 40 2HD ARG 40 102.711 54.589 35.058 699 HE ARG 40 HE ARG 40 101.861 54.879 32.307 700 1HH1 ARG 40 1HH1 ARG 40 102.809 52.065 33.784 701 2HH1 ARG 40 2HH1 ARG 40 101.254 51.303 33.770 702 1HH2 ARG 40 1HH2 ARG 40 99.566 54.163 32.776 703 2HH2 ARG 40 2HH2 ARG 40 99.418 52.490 33.198 704 H LEU 41 H LEU 41 105.669 59.472 35.504 705 HA LEU 41 HA LEU 41 103.668 61.082 34.277 706 1HB LEU 41 1HB LEU 41 105.269 61.158 36.494 707 2HB LEU 41 2HB LEU 41 105.991 62.435 35.514 708 HG LEU 41 HG LEU 41 103.691 63.401 35.202 709 1HD1 LEU 41 1HD1 LEU 41 103.061 61.050 36.945 710 2HD1 LEU 41 2HD1 LEU 41 102.132 62.531 37.172 711 3HD1 LEU 41 3HD1 LEU 41 102.139 61.727 35.603 712 1HD2 LEU 41 1HD2 LEU 41 105.384 64.041 37.048 713 2HD2 LEU 41 2HD2 LEU 41 103.707 64.534 37.287 714 3HD2 LEU 41 3HD2 LEU 41 104.343 63.127 38.140 715 H ARG 42 H ARG 42 107.154 60.808 33.644 716 HA ARG 42 HA ARG 42 107.515 63.042 31.946 717 1HB ARG 42 1HB ARG 42 108.715 60.254 31.939 718 2HB ARG 42 2HB ARG 42 109.380 61.613 31.031 719 1HG ARG 42 1HG ARG 42 108.850 62.303 33.820 720 2HG ARG 42 2HG ARG 42 109.991 60.967 33.668 721 1HD ARG 42 1HD ARG 42 110.255 63.555 32.102 722 2HD ARG 42 2HD ARG 42 111.090 63.246 33.638 723 HE ARG 42 HE ARG 42 111.785 61.024 32.292 724 1HH1 ARG 42 1HH1 ARG 42 112.331 64.343 31.881 725 2HH1 ARG 42 2HH1 ARG 42 113.243 64.175 30.418 726 1HH2 ARG 42 1HH2 ARG 42 112.647 60.773 30.122 727 2HH2 ARG 42 2HH2 ARG 42 113.421 62.155 29.423 728 H GLU 43 H GLU 43 106.329 59.766 31.177 729 HA GLU 43 HA GLU 43 106.061 60.355 28.321 730 1HB GLU 43 1HB GLU 43 105.260 58.106 30.182 731 2HB GLU 43 2HB GLU 43 104.870 58.081 28.461 732 1HG GLU 43 1HG GLU 43 107.688 58.707 29.201 733 2HG GLU 43 2HG GLU 43 107.152 57.041 29.415 734 H ALA 44 H ALA 44 103.980 60.381 31.171 735 HA ALA 44 HA ALA 44 101.409 60.387 30.039 736 1HB ALA 44 1HB ALA 44 102.709 61.088 32.480 737 2HB ALA 44 2HB ALA 44 101.604 62.402 32.070 738 3HB ALA 44 3HB ALA 44 100.995 60.751 32.229 739 H ARG 45 H ARG 45 102.990 63.405 31.064 740 HA ARG 45 HA ARG 45 101.416 65.197 29.633 741 1HB ARG 45 1HB ARG 45 104.295 65.166 30.521 742 2HB ARG 45 2HB ARG 45 103.627 66.579 29.703 743 1HG ARG 45 1HG ARG 45 102.103 65.391 31.993 744 2HG ARG 45 2HG ARG 45 103.517 66.385 32.341 745 1HD ARG 45 1HD ARG 45 102.509 68.167 30.826 746 2HD ARG 45 2HD ARG 45 101.022 67.199 30.822 747 HE ARG 45 HE ARG 45 102.076 67.629 33.506 748 1HH1 ARG 45 1HH1 ARG 45 99.170 67.432 32.923 749 2HH1 ARG 45 2HH1 ARG 45 98.641 69.074 33.074 750 1HH2 ARG 45 1HH2 ARG 45 101.837 70.401 32.847 751 2HH2 ARG 45 2HH2 ARG 45 100.152 70.755 33.032 752 H ARG 46 H ARG 46 104.332 63.494 28.513 753 HA ARG 46 HA ARG 46 103.643 64.324 25.713 754 1HB ARG 46 1HB ARG 46 105.633 65.462 26.737 755 2HB ARG 46 2HB ARG 46 106.383 63.878 26.940 756 1HG ARG 46 1HG ARG 46 106.894 63.698 24.733 757 2HG ARG 46 2HG ARG 46 105.359 64.402 24.224 758 1HD ARG 46 1HD ARG 46 106.165 66.645 24.617 759 2HD ARG 46 2HD ARG 46 107.636 66.033 25.400 760 HE ARG 46 HE ARG 46 107.194 65.034 22.670 761 1HH1 ARG 46 1HH2 ARG 46 107.487 67.906 22.227 762 2HH1 ARG 46 2HH2 ARG 46 109.204 68.138 22.194 763 1HH2 ARG 46 1HH1 ARG 46 109.910 65.099 23.708 764 2HH2 ARG 46 2HH1 ARG 46 110.576 66.549 23.033 Start of MODEL 16 1 1H HIS 1 1H HIS 1 85.295 56.676 62.670 2 2H HIS 1 2H HIS 1 84.330 58.060 62.471 3 3H HIS 1 3H HIS 1 85.891 58.006 61.803 4 HA HIS 1 HA HIS 1 85.972 59.353 63.780 5 1HB HIS 1 1HB HIS 1 83.832 57.977 64.507 6 2HB HIS 1 2HB HIS 1 85.018 56.974 65.344 7 HD1 HIS 1 HD1 HIS 1 86.908 59.623 65.816 8 HD2 HIS 1 HD2 HIS 1 82.969 59.041 67.050 9 HE1 HIS 1 HE1 HIS 1 86.527 61.197 67.762 10 H MET 2 H MET 2 86.405 55.809 64.163 11 HA MET 2 HA MET 2 89.341 56.294 64.485 12 1HB MET 2 1HB MET 2 87.365 55.393 66.420 13 2HB MET 2 2HB MET 2 88.635 54.189 66.203 14 1HG MET 2 1HG MET 2 90.108 56.488 66.294 15 2HG MET 2 2HG MET 2 88.785 56.890 67.388 16 1HE MET 2 1HE MET 2 90.613 57.334 68.732 17 2HE MET 2 2HE MET 2 90.809 56.289 70.137 18 3HE MET 2 3HE MET 2 92.031 56.297 68.858 19 H GLY 3 H GLY 3 88.763 55.479 62.083 20 1HA GLY 3 1HA GLY 3 89.967 53.079 61.545 21 2HA GLY 3 2HA GLY 3 88.305 52.594 61.881 22 H HIS 4 H HIS 4 90.065 55.039 59.944 23 HA HIS 4 HA HIS 4 88.297 54.359 57.642 24 1HB HIS 4 1HB HIS 4 88.501 56.903 59.181 25 2HB HIS 4 2HB HIS 4 88.347 57.041 57.430 26 HD1 HIS 4 HD1 HIS 4 86.572 55.490 60.407 27 HD2 HIS 4 HD2 HIS 4 85.781 56.549 56.453 28 HE1 HIS 4 HE1 HIS 4 84.085 55.162 60.063 29 H ILE 5 H ILE 5 90.707 56.896 58.367 30 HA ILE 5 HA ILE 5 92.263 55.955 55.984 31 HB ILE 5 HB ILE 5 91.212 58.208 55.878 32 1HG1 ILE 5 1HG1 ILE 5 93.433 59.492 55.541 33 2HG1 ILE 5 2HG1 ILE 5 94.221 57.983 56.005 34 1HG2 ILE 5 1HG2 ILE 5 92.935 58.688 58.325 35 2HG2 ILE 5 2HG2 ILE 5 92.172 59.977 57.394 36 3HG2 ILE 5 3HG2 ILE 5 91.176 58.785 58.228 37 1HD1 ILE 5 1HD1 ILE 5 92.248 57.250 54.138 38 2HD1 ILE 5 2HD1 ILE 5 93.004 58.699 53.476 39 3HD1 ILE 5 3HD1 ILE 5 93.991 57.294 53.873 40 H GLN 6 H GLN 6 94.602 55.968 56.192 41 HA GLN 6 HA GLN 6 95.536 55.758 59.033 42 1HB GLN 6 1HB GLN 6 96.443 54.472 56.440 43 2HB GLN 6 2HB GLN 6 97.278 54.266 57.980 44 1HG GLN 6 1HG GLN 6 94.331 53.739 57.870 45 2HG GLN 6 2HG GLN 6 95.431 52.527 57.210 46 1HE2 GLN 6 2HE2 GLN 6 96.748 51.326 58.696 47 2HE2 GLN 6 1HE2 GLN 6 96.604 51.480 60.380 48 H ILE 7 H ILE 7 97.193 57.109 59.668 49 HA ILE 7 HA ILE 7 98.627 58.663 57.539 50 HB ILE 7 HB ILE 7 97.496 59.584 60.202 51 1HG1 ILE 7 1HG1 ILE 7 96.283 61.165 58.497 52 2HG1 ILE 7 2HG1 ILE 7 96.693 59.917 57.319 53 1HG2 ILE 7 1HG2 ILE 7 99.723 60.563 58.794 54 2HG2 ILE 7 2HG2 ILE 7 98.403 61.663 58.394 55 3HG2 ILE 7 3HG2 ILE 7 98.842 61.388 60.081 56 1HD1 ILE 7 1HD1 ILE 7 95.668 58.621 59.650 57 2HD1 ILE 7 2HD1 ILE 7 94.552 59.915 59.209 58 3HD1 ILE 7 3HD1 ILE 7 94.966 58.669 58.032 59 HA PRO 8 HA PRO 8 101.411 56.616 60.752 60 1HB PRO 8 1HB PRO 8 102.712 54.895 59.074 61 2HB PRO 8 2HB PRO 8 101.227 54.461 59.944 62 1HG PRO 8 1HG PRO 8 101.584 55.301 57.116 63 2HG PRO 8 2HG PRO 8 100.512 54.073 57.801 64 1HD PRO 8 1HD PRO 8 99.668 56.552 57.053 65 2HD PRO 8 2HD PRO 8 98.890 55.599 58.336 66 HA PRO 9 HA PRO 9 104.614 59.326 59.375 67 1HB PRO 9 1HB PRO 9 106.677 58.470 60.956 68 2HB PRO 9 2HB PRO 9 105.318 59.429 61.577 69 1HG PRO 9 1HG PRO 9 105.810 56.502 61.765 70 2HG PRO 9 2HG PRO 9 105.117 57.610 62.959 71 1HD PRO 9 1HD PRO 9 103.627 55.917 61.415 72 2HD PRO 9 2HD PRO 9 103.014 57.447 62.079 73 H GLY 10 H GLY 10 107.080 59.092 58.667 74 1HA GLY 10 1HA GLY 10 108.763 57.527 57.733 75 2HA GLY 10 2HA GLY 10 107.425 56.495 57.226 76 H LEU 11 H LEU 11 105.868 58.938 56.381 77 HA LEU 11 HA LEU 11 107.004 59.106 53.663 78 1HB LEU 11 1HB LEU 11 104.560 58.714 54.335 79 2HB LEU 11 2HB LEU 11 104.521 60.420 54.783 80 HG LEU 11 HG LEU 11 105.688 60.471 52.274 81 1HD1 LEU 11 1HD1 LEU 11 103.508 58.364 52.359 82 2HD1 LEU 11 2HD1 LEU 11 104.100 59.119 50.879 83 3HD1 LEU 11 3HD1 LEU 11 105.184 58.130 51.859 84 1HD2 LEU 11 1HD2 LEU 11 103.050 61.075 53.479 85 2HD2 LEU 11 2HD2 LEU 11 104.107 62.103 52.513 86 3HD2 LEU 11 3HD2 LEU 11 103.055 60.929 51.722 87 H THR 12 H THR 12 105.957 61.421 56.195 88 HA THR 12 HA THR 12 106.764 63.821 54.973 89 HB THR 12 HB THR 12 106.963 63.002 57.889 90 HG1 THR 12 HG1 THR 12 104.829 63.621 57.984 91 1HG2 THR 12 1HG2 THR 12 106.586 65.707 56.574 92 2HG2 THR 12 2HG2 THR 12 106.545 65.403 58.311 93 3HG2 THR 12 3HG2 THR 12 108.040 65.157 57.408 94 H GLU 13 H GLU 13 108.725 61.296 56.408 95 HA GLU 13 HA GLU 13 111.137 62.837 56.792 96 1HB GLU 13 1HB GLU 13 110.289 59.973 56.658 97 2HB GLU 13 2HB GLU 13 112.014 60.321 56.527 98 1HG GLU 13 1HG GLU 13 111.520 61.885 58.610 99 2HG GLU 13 2HG GLU 13 110.155 60.789 58.828 100 H LEU 14 H LEU 14 110.334 60.411 54.266 101 HA LEU 14 HA LEU 14 112.541 60.899 52.570 102 1HB LEU 14 1HB LEU 14 109.697 59.970 52.158 103 2HB LEU 14 2HB LEU 14 110.833 60.046 50.812 104 HG LEU 14 HG LEU 14 111.570 58.641 53.375 105 1HD1 LEU 14 1HD1 LEU 14 109.685 57.776 51.245 106 2HD1 LEU 14 2HD1 LEU 14 110.893 56.591 51.740 107 3HD1 LEU 14 3HD1 LEU 14 109.786 57.273 52.932 108 1HD2 LEU 14 1HD2 LEU 14 112.522 58.728 50.523 109 2HD2 LEU 14 2HD2 LEU 14 113.458 58.868 52.011 110 3HD2 LEU 14 3HD2 LEU 14 112.842 57.297 51.502 111 H LEU 15 H LEU 15 109.345 62.488 52.652 112 HA LEU 15 HA LEU 15 109.658 64.139 50.353 113 1HB LEU 15 1HB LEU 15 107.980 63.927 52.759 114 2HB LEU 15 2HB LEU 15 108.127 65.578 52.157 115 HG LEU 15 HG LEU 15 107.518 64.742 49.874 116 1HD1 LEU 15 1HD1 LEU 15 106.944 62.178 51.391 117 2HD1 LEU 15 2HD1 LEU 15 106.533 62.481 49.703 118 3HD1 LEU 15 3HD1 LEU 15 108.223 62.400 50.197 119 1HD2 LEU 15 1HD2 LEU 15 105.788 64.800 52.253 120 2HD2 LEU 15 2HD2 LEU 15 105.564 65.572 50.683 121 3HD2 LEU 15 3HD2 LEU 15 105.108 63.882 50.908 122 H GLN 16 H GLN 16 110.484 64.769 53.783 123 HA GLN 16 HA GLN 16 111.378 67.438 53.551 124 1HB GLN 16 1HB GLN 16 111.333 65.383 55.441 125 2HB GLN 16 2HB GLN 16 113.050 65.742 55.254 126 1HG GLN 16 1HG GLN 16 112.478 68.188 55.545 127 2HG GLN 16 2HG GLN 16 110.839 67.688 55.965 128 1HE2 GLN 16 2HE2 GLN 16 110.996 65.672 57.690 129 2HE2 GLN 16 1HE2 GLN 16 112.007 66.002 59.013 130 H GLY 17 H GLY 17 113.083 64.395 52.841 131 1HA GLY 17 1HA GLY 17 115.668 65.467 52.372 132 2HA GLY 17 2HA GLY 17 115.039 64.007 51.602 133 H TYR 18 H TYR 18 113.137 64.713 49.942 134 HA TYR 18 HA TYR 18 114.254 65.791 47.645 135 1HB TYR 18 1HB TYR 18 111.896 64.740 48.349 136 2HB TYR 18 2HB TYR 18 111.409 66.435 48.309 137 HD1 TYR 18 HD1 TYR 18 113.836 64.452 46.246 138 HD2 TYR 18 HD2 TYR 18 110.255 66.858 46.312 139 HE1 TYR 18 HE1 TYR 18 113.731 64.364 43.751 140 HE2 TYR 18 HE2 TYR 18 110.144 66.772 43.823 141 HH TYR 18 HH TYR 18 112.771 65.475 41.908 142 H THR 19 H THR 19 112.603 67.571 50.249 143 HA THR 19 HA THR 19 112.604 70.151 49.023 144 HB THR 19 HB THR 19 112.755 69.250 51.920 145 HG1 THR 19 HG1 THR 19 110.622 69.113 51.789 146 1HG2 THR 19 1HG2 THR 19 113.356 71.660 51.536 147 2HG2 THR 19 2HG2 THR 19 111.768 71.885 50.803 148 3HG2 THR 19 3HG2 THR 19 111.899 71.433 52.503 149 H VAL 20 H VAL 20 115.044 68.431 50.947 150 HA VAL 20 HA VAL 20 116.849 70.740 51.061 151 HB VAL 20 HB VAL 20 117.135 67.796 51.740 152 1HG1 VAL 20 1HG1 VAL 20 118.951 70.174 52.168 153 2HG1 VAL 20 2HG1 VAL 20 119.051 68.734 53.180 154 3HG1 VAL 20 3HG1 VAL 20 119.348 68.614 51.446 155 1HG2 VAL 20 1HG2 VAL 20 115.852 70.048 53.029 156 2HG2 VAL 20 2HG2 VAL 20 115.881 68.357 53.529 157 3HG2 VAL 20 3HG2 VAL 20 117.175 69.447 54.029 158 H GLU 21 H GLU 21 116.303 68.053 48.891 159 HA GLU 21 HA GLU 21 118.981 68.273 47.648 160 1HB GLU 21 1HB GLU 21 116.720 66.789 46.364 161 2HB GLU 21 2HB GLU 21 118.404 66.315 46.535 162 1HG GLU 21 1HG GLU 21 117.578 66.345 49.150 163 2HG GLU 21 2HG GLU 21 116.116 65.814 48.314 164 H VAL 22 H VAL 22 115.593 68.853 46.758 165 HA VAL 22 HA VAL 22 116.030 69.886 44.149 166 HB VAL 22 HB VAL 22 113.903 70.476 46.232 167 1HG1 VAL 22 1HG1 VAL 22 114.278 71.830 43.905 168 2HG1 VAL 22 2HG1 VAL 22 113.274 70.494 43.348 169 3HG1 VAL 22 3HG1 VAL 22 112.695 71.553 44.632 170 1HG2 VAL 22 1HG2 VAL 22 114.400 68.037 45.500 171 2HG2 VAL 22 2HG2 VAL 22 112.735 68.601 45.377 172 3HG2 VAL 22 3HG2 VAL 22 113.747 68.521 43.936 173 H LEU 23 H LEU 23 116.129 71.467 47.333 174 HA LEU 23 HA LEU 23 116.395 74.156 46.189 175 1HB LEU 23 1HB LEU 23 116.049 72.841 48.772 176 2HB LEU 23 2HB LEU 23 117.205 74.169 48.864 177 HG LEU 23 HG LEU 23 115.573 75.684 47.823 178 1HD1 LEU 23 1HD1 LEU 23 114.198 73.127 47.337 179 2HD1 LEU 23 2HD1 LEU 23 113.140 74.399 47.946 180 3HD1 LEU 23 3HD1 LEU 23 114.068 74.656 46.468 181 1HD2 LEU 23 1HD2 LEU 23 115.570 74.876 50.387 182 2HD2 LEU 23 2HD2 LEU 23 114.404 76.049 49.776 183 3HD2 LEU 23 3HD2 LEU 23 113.945 74.355 49.941 184 H ARG 24 H ARG 24 118.566 71.764 47.715 185 HA ARG 24 HA ARG 24 120.923 73.456 47.557 186 1HB ARG 24 1HB ARG 24 120.330 70.539 48.057 187 2HB ARG 24 2HB ARG 24 121.991 71.127 47.978 188 1HG ARG 24 1HG ARG 24 120.441 72.899 49.633 189 2HG ARG 24 2HG ARG 24 120.228 71.241 50.196 190 1HD ARG 24 1HD ARG 24 122.424 71.041 50.844 191 2HD ARG 24 2HD ARG 24 123.013 72.036 49.499 192 HE ARG 24 HE ARG 24 122.220 74.034 50.742 193 1HH1 ARG 24 1HH1 ARG 24 120.659 71.852 52.520 194 2HH1 ARG 24 2HH1 ARG 24 121.421 72.183 54.040 195 1HH2 ARG 24 1HH2 ARG 24 123.945 74.115 52.653 196 2HH2 ARG 24 2HH2 ARG 24 123.282 73.464 54.115 197 H GLN 25 H GLN 25 120.381 70.314 45.929 198 HA GLN 25 HA GLN 25 122.328 70.627 43.917 199 1HB GLN 25 1HB GLN 25 120.025 68.951 44.539 200 2HB GLN 25 2HB GLN 25 120.227 69.153 42.799 201 1HG GLN 25 1HG GLN 25 122.415 68.294 44.714 202 2HG GLN 25 2HG GLN 25 121.514 67.210 43.655 203 1HE2 GLN 25 2HE2 GLN 25 121.658 67.774 41.231 204 2HE2 GLN 25 1HE2 GLN 25 123.123 68.417 40.662 205 H GLN 26 H GLN 26 118.946 71.709 43.966 206 HA GLN 26 HA GLN 26 117.766 73.129 42.485 207 1HB GLN 26 1HB GLN 26 120.307 74.155 43.157 208 2HB GLN 26 2HB GLN 26 120.120 74.456 41.429 209 1HG GLN 26 1HG GLN 26 118.140 75.713 41.744 210 2HG GLN 26 2HG GLN 26 117.910 75.097 43.382 211 1HE2 GLN 26 2HE2 GLN 26 120.013 75.620 44.842 212 2HE2 GLN 26 1HE2 GLN 26 120.568 77.219 44.719 213 HA PRO 27 HA PRO 27 119.361 70.563 38.864 214 1HB PRO 27 1HB PRO 27 117.215 68.873 38.659 215 2HB PRO 27 2HB PRO 27 118.638 68.515 39.660 216 1HG PRO 27 1HG PRO 27 115.975 69.575 40.470 217 2HG PRO 27 2HG PRO 27 117.013 68.392 41.280 218 1HD PRO 27 1HD PRO 27 116.836 70.989 42.059 219 2HD PRO 27 2HD PRO 27 118.301 70.006 42.278 220 HA PRO 28 HA PRO 28 116.831 73.069 36.256 221 1HB PRO 28 1HB PRO 28 117.285 71.853 33.844 222 2HB PRO 28 2HB PRO 28 118.485 72.887 34.647 223 1HG PRO 28 1HG PRO 28 118.304 69.915 34.557 224 2HG PRO 28 2HG PRO 28 119.729 70.963 34.456 225 1HD PRO 28 1HD PRO 28 119.017 69.641 36.722 226 2HD PRO 28 2HD PRO 28 119.885 71.192 36.733 227 H ASP 29 H ASP 29 116.494 69.557 36.201 228 HA ASP 29 HA ASP 29 113.607 69.902 35.456 229 1HB ASP 29 1HB ASP 29 115.689 67.846 34.691 230 2HB ASP 29 2HB ASP 29 113.964 67.543 34.484 231 H LEU 30 H LEU 30 112.343 69.368 37.192 232 HA LEU 30 HA LEU 30 113.399 67.854 39.458 233 1HB LEU 30 1HB LEU 30 111.753 69.802 39.465 234 2HB LEU 30 2HB LEU 30 110.546 68.674 38.845 235 HG LEU 30 HG LEU 30 111.411 67.203 40.900 236 1HD1 LEU 30 1HD1 LEU 30 112.162 70.049 41.527 237 2HD1 LEU 30 2HD1 LEU 30 111.653 68.967 42.822 238 3HD1 LEU 30 3HD1 LEU 30 113.066 68.568 41.845 239 1HD2 LEU 30 1HD2 LEU 30 109.092 68.131 40.409 240 2HD2 LEU 30 2HD2 LEU 30 109.485 67.965 42.120 241 3HD2 LEU 30 3HD2 LEU 30 109.549 69.550 41.350 242 H VAL 31 H VAL 31 111.180 67.223 36.757 243 HA VAL 31 HA VAL 31 110.007 64.797 37.531 244 HB VAL 31 HB VAL 31 111.133 65.604 34.827 245 1HG1 VAL 31 1HG1 VAL 31 110.148 63.174 35.446 246 2HG1 VAL 31 2HG1 VAL 31 108.631 64.017 35.134 247 3HG1 VAL 31 3HG1 VAL 31 109.868 63.935 33.880 248 1HG2 VAL 31 1HG2 VAL 31 109.037 66.712 36.484 249 2HG2 VAL 31 2HG2 VAL 31 109.607 67.266 34.909 250 3HG2 VAL 31 3HG2 VAL 31 108.341 66.043 35.008 251 H ASP 32 H ASP 32 112.850 64.920 35.370 252 HA ASP 32 HA ASP 32 113.648 62.232 35.677 253 1HB ASP 32 1HB ASP 32 114.438 64.505 34.324 254 2HB ASP 32 2HB ASP 32 115.806 64.218 35.403 255 H PHE 33 H PHE 33 114.577 65.114 37.566 256 HA PHE 33 HA PHE 33 116.521 63.910 39.257 257 1HB PHE 33 1HB PHE 33 116.037 66.332 39.036 258 2HB PHE 33 2HB PHE 33 114.476 66.087 39.816 259 HD1 PHE 33 HD1 PHE 33 117.983 64.887 40.500 260 HD2 PHE 33 HD2 PHE 33 114.460 66.869 42.016 261 HE1 PHE 33 HE1 PHE 33 119.066 65.099 42.735 262 HE2 PHE 33 HE2 PHE 33 115.542 67.081 44.251 263 HZ PHE 33 HZ PHE 33 117.845 66.197 44.612 264 H ALA 34 H ALA 34 113.011 64.385 39.816 265 HA ALA 34 HA ALA 34 112.770 63.072 42.298 266 1HB ALA 34 1HB ALA 34 111.132 64.250 40.416 267 2HB ALA 34 2HB ALA 34 110.621 62.565 40.342 268 3HB ALA 34 3HB ALA 34 110.558 63.438 41.873 269 H VAL 35 H VAL 35 112.610 61.681 39.003 270 HA VAL 35 HA VAL 35 112.163 58.968 39.880 271 HB VAL 35 HB VAL 35 113.263 60.186 37.325 272 1HG1 VAL 35 1HG1 VAL 35 112.278 57.427 38.036 273 2HG1 VAL 35 2HG1 VAL 35 112.269 58.014 36.374 274 3HG1 VAL 35 3HG1 VAL 35 113.792 57.880 37.253 275 1HG2 VAL 35 1HG2 VAL 35 110.963 60.927 38.130 276 2HG2 VAL 35 2HG2 VAL 35 110.990 60.161 36.540 277 3HG2 VAL 35 3HG2 VAL 35 110.450 59.249 37.951 278 H GLU 36 H GLU 36 115.027 60.942 39.296 279 HA GLU 36 HA GLU 36 116.891 58.693 39.351 280 1HB GLU 36 1HB GLU 36 117.547 60.540 38.053 281 2HB GLU 36 2HB GLU 36 116.953 61.702 39.234 282 1HG GLU 36 1HG GLU 36 118.914 61.738 40.348 283 2HG GLU 36 2HG GLU 36 119.085 59.984 40.279 284 H TYR 37 H TYR 37 115.463 60.918 41.664 285 HA TYR 37 HA TYR 37 117.404 60.448 43.784 286 1HB TYR 37 1HB TYR 37 116.042 62.487 43.588 287 2HB TYR 37 2HB TYR 37 114.569 61.533 43.761 288 HD1 TYR 37 HD1 TYR 37 117.880 61.485 45.554 289 HD2 TYR 37 HD2 TYR 37 113.595 61.927 45.857 290 HE1 TYR 37 HE1 TYR 37 118.071 61.633 48.036 291 HE2 TYR 37 HE2 TYR 37 113.786 62.075 48.338 292 HH TYR 37 HH TYR 37 115.324 62.490 50.047 293 H PHE 38 H PHE 38 113.910 59.671 43.742 294 HA PHE 38 HA PHE 38 113.925 57.785 45.821 295 1HB PHE 38 1HB PHE 38 112.257 58.293 43.375 296 2HB PHE 38 2HB PHE 38 111.892 56.898 44.392 297 HD1 PHE 38 HD1 PHE 38 112.354 57.695 47.092 298 HD2 PHE 38 HD2 PHE 38 110.785 60.062 43.840 299 HE1 PHE 38 HE1 PHE 38 111.209 59.185 48.729 300 HE2 PHE 38 HE2 PHE 38 109.642 61.553 45.479 301 HZ PHE 38 HZ PHE 38 109.853 61.115 47.923 302 H THR 39 H THR 39 114.349 57.166 42.309 303 HA THR 39 HA THR 39 114.535 54.350 42.399 304 HB THR 39 HB THR 39 115.923 56.449 40.704 305 HG1 THR 39 HG1 THR 39 114.066 56.477 39.760 306 1HG2 THR 39 1HG2 THR 39 116.450 53.643 40.846 307 2HG2 THR 39 2HG2 THR 39 115.611 53.966 39.329 308 3HG2 THR 39 3HG2 THR 39 117.108 54.819 39.708 309 H ARG 40 H ARG 40 117.067 56.799 42.983 310 HA ARG 40 HA ARG 40 119.280 55.024 43.262 311 1HB ARG 40 1HB ARG 40 118.513 57.790 43.956 312 2HB ARG 40 2HB ARG 40 119.772 57.109 44.987 313 1HG ARG 40 1HG ARG 40 120.133 56.555 42.115 314 2HG ARG 40 2HG ARG 40 120.231 58.264 42.542 315 1HD ARG 40 1HD ARG 40 122.127 57.969 43.846 316 2HD ARG 40 2HD ARG 40 121.705 56.296 44.263 317 HE ARG 40 HE ARG 40 122.468 56.995 41.459 318 1HH1 ARG 40 1HH2 ARG 40 124.109 56.147 44.180 319 2HH1 ARG 40 2HH2 ARG 40 124.687 54.618 43.609 320 1HH2 ARG 40 1HH1 ARG 40 122.668 54.607 40.790 321 2HH2 ARG 40 2HH1 ARG 40 123.872 53.746 41.690 322 H LEU 41 H LEU 41 116.668 55.878 45.461 323 HA LEU 41 HA LEU 41 117.924 54.798 47.856 324 1HB LEU 41 1HB LEU 41 115.334 55.945 46.971 325 2HB LEU 41 2HB LEU 41 115.247 54.859 48.357 326 HG LEU 41 HG LEU 41 117.229 57.139 48.178 327 1HD1 LEU 41 1HD1 LEU 41 114.881 57.977 48.106 328 2HD1 LEU 41 2HD1 LEU 41 114.544 57.084 49.589 329 3HD1 LEU 41 3HD1 LEU 41 115.704 58.412 49.604 330 1HD2 LEU 41 1HD2 LEU 41 117.241 54.967 49.804 331 2HD2 LEU 41 2HD2 LEU 41 117.843 56.547 50.306 332 3HD2 LEU 41 3HD2 LEU 41 116.211 56.044 50.745 333 H ARG 42 H ARG 42 116.034 53.469 45.218 334 HA ARG 42 HA ARG 42 115.143 51.076 46.569 335 1HB ARG 42 1HB ARG 42 114.007 51.887 44.618 336 2HB ARG 42 2HB ARG 42 115.508 51.974 43.699 337 1HG ARG 42 1HG ARG 42 115.279 49.847 43.031 338 2HG ARG 42 2HG ARG 42 115.133 49.302 44.700 339 1HD ARG 42 1HD ARG 42 112.756 49.636 44.704 340 2HD ARG 42 2HD ARG 42 112.818 50.529 43.171 341 HE ARG 42 HE ARG 42 112.912 48.452 42.054 342 1HH1 ARG 42 1HH2 ARG 42 111.866 47.304 44.735 343 2HH1 ARG 42 2HH2 ARG 42 112.947 45.967 44.941 344 1HH2 ARG 42 1HH1 ARG 42 115.210 47.092 42.565 345 2HH2 ARG 42 2HH1 ARG 42 114.841 45.847 43.713 346 H GLU 43 H GLU 43 117.843 51.776 44.319 347 HA GLU 43 HA GLU 43 118.973 49.152 44.307 348 1HB GLU 43 1HB GLU 43 120.246 51.891 43.989 349 2HB GLU 43 2HB GLU 43 120.956 50.370 43.447 350 1HG GLU 43 1HG GLU 43 118.190 50.841 42.520 351 2HG GLU 43 2HG GLU 43 119.386 51.968 41.877 352 H ALA 44 H ALA 44 119.183 51.793 46.611 353 HA ALA 44 HA ALA 44 121.540 50.948 48.029 354 1HB ALA 44 1HB ALA 44 119.548 52.968 48.122 355 2HB ALA 44 2HB ALA 44 119.556 52.195 49.710 356 3HB ALA 44 3HB ALA 44 121.042 52.897 49.060 357 H ARG 45 H ARG 45 118.128 50.703 49.059 358 HA ARG 45 HA ARG 45 118.413 49.014 51.237 359 1HB ARG 45 1HB ARG 45 116.354 50.157 50.308 360 2HB ARG 45 2HB ARG 45 116.229 48.838 49.144 361 1HG ARG 45 1HG ARG 45 115.136 47.625 50.689 362 2HG ARG 45 2HG ARG 45 116.590 47.639 51.687 363 1HD ARG 45 1HD ARG 45 115.860 49.890 52.585 364 2HD ARG 45 2HD ARG 45 114.319 49.652 51.735 365 HE ARG 45 HE ARG 45 115.095 48.303 54.165 366 1HH1 ARG 45 1HH2 ARG 45 112.294 48.708 52.961 367 2HH1 ARG 45 2HH2 ARG 45 111.823 47.064 52.689 368 1HH2 ARG 45 1HH1 ARG 45 115.036 45.807 53.023 369 2HH2 ARG 45 2HH1 ARG 45 113.374 45.421 52.724 370 H ARG 46 H ARG 46 117.463 47.801 48.007 371 HA ARG 46 HA ARG 46 119.303 45.502 48.285 372 1HB ARG 46 1HB ARG 46 116.751 45.364 49.314 373 2HB ARG 46 2HB ARG 46 116.528 44.703 47.694 374 1HG ARG 46 1HG ARG 46 118.838 43.779 49.382 375 2HG ARG 46 2HG ARG 46 117.233 43.091 49.633 376 1HD ARG 46 1HD ARG 46 117.788 43.187 46.801 377 2HD ARG 46 2HD ARG 46 119.104 42.344 47.643 378 HE ARG 46 HE ARG 46 117.417 40.845 48.638 379 1HH1 ARG 46 1HH2 ARG 46 117.044 40.663 45.631 380 2HH1 ARG 46 2HH2 ARG 46 115.323 40.792 45.492 381 1HH2 ARG 46 1HH1 ARG 46 114.888 42.022 48.705 382 2HH2 ARG 46 2HH1 ARG 46 114.102 41.561 47.233 383 1H HIS 1 1H HIS 1 119.190 88.908 52.354 384 2H HIS 1 2H HIS 1 119.346 88.836 54.044 385 3H HIS 1 3H HIS 1 118.583 87.571 53.204 386 HA HIS 1 HA HIS 1 116.889 88.904 54.241 387 1HB HIS 1 1HB HIS 1 118.703 90.829 54.163 388 2HB HIS 1 2HB HIS 1 117.880 91.258 52.662 389 HD1 HIS 1 HD1 HIS 1 115.048 90.158 53.911 390 HD2 HIS 1 HD2 HIS 1 117.528 93.137 55.445 391 HE1 HIS 1 HE1 HIS 1 113.593 91.612 55.389 392 H MET 2 H MET 2 118.023 89.903 50.983 393 HA MET 2 HA MET 2 115.510 88.735 49.849 394 1HB MET 2 1HB MET 2 116.361 91.512 50.055 395 2HB MET 2 2HB MET 2 116.113 91.047 48.372 396 1HG MET 2 1HG MET 2 113.937 89.894 49.554 397 2HG MET 2 2HG MET 2 114.143 91.330 50.556 398 1HE MET 2 1HE MET 2 111.928 91.547 49.934 399 2HE MET 2 2HE MET 2 111.546 92.918 48.896 400 3HE MET 2 3HE MET 2 111.321 91.267 48.304 401 H GLY 3 H GLY 3 117.540 87.136 49.533 402 1HA GLY 3 1HA GLY 3 118.059 86.723 46.875 403 2HA GLY 3 2HA GLY 3 119.311 87.881 47.323 404 H HIS 4 H HIS 4 117.900 84.822 48.544 405 HA HIS 4 HA HIS 4 120.674 83.813 48.963 406 1HB HIS 4 1HB HIS 4 118.558 84.416 50.975 407 2HB HIS 4 2HB HIS 4 119.505 82.948 51.228 408 HD1 HIS 4 HD1 HIS 4 119.979 86.686 50.739 409 HD2 HIS 4 HD2 HIS 4 122.088 83.393 52.181 410 HE1 HIS 4 HE1 HIS 4 122.103 87.595 51.776 411 H ILE 5 H ILE 5 117.385 82.722 49.839 412 HA ILE 5 HA ILE 5 117.920 80.205 48.299 413 HB ILE 5 HB ILE 5 117.691 80.035 50.770 414 1HG1 ILE 5 1HG1 ILE 5 115.662 78.430 50.712 415 2HG1 ILE 5 2HG1 ILE 5 115.557 78.840 48.999 416 1HG2 ILE 5 1HG2 ILE 5 114.969 81.242 50.200 417 2HG2 ILE 5 2HG2 ILE 5 115.399 80.470 51.726 418 3HG2 ILE 5 3HG2 ILE 5 116.246 81.926 51.206 419 1HD1 ILE 5 1HD1 ILE 5 118.281 78.313 49.470 420 2HD1 ILE 5 2HD1 ILE 5 117.402 77.047 50.330 421 3HD1 ILE 5 3HD1 ILE 5 117.138 77.286 48.603 422 H GLN 6 H GLN 6 116.120 79.326 47.079 423 HA GLN 6 HA GLN 6 114.084 81.393 46.322 424 1HB GLN 6 1HB GLN 6 115.357 79.074 44.833 425 2HB GLN 6 2HB GLN 6 114.058 80.068 44.171 426 1HG GLN 6 1HG GLN 6 116.487 81.435 45.269 427 2HG GLN 6 2HG GLN 6 116.591 80.671 43.681 428 1HE2 GLN 6 2HE2 GLN 6 115.432 81.647 41.925 429 2HE2 GLN 6 1HE2 GLN 6 114.600 83.119 42.079 430 H ILE 7 H ILE 7 111.934 80.858 46.586 431 HA ILE 7 HA ILE 7 111.272 78.002 47.224 432 HB ILE 7 HB ILE 7 110.293 80.569 48.517 433 1HG1 ILE 7 1HG1 ILE 7 111.311 79.269 50.553 434 2HG1 ILE 7 2HG1 ILE 7 112.195 78.374 49.316 435 1HG2 ILE 7 1HG2 ILE 7 108.955 78.113 48.227 436 2HG2 ILE 7 2HG2 ILE 7 109.600 78.098 49.868 437 3HG2 ILE 7 3HG2 ILE 7 108.547 79.413 49.348 438 1HD1 ILE 7 1HD1 ILE 7 112.349 81.155 48.673 439 2HD1 ILE 7 2HD1 ILE 7 112.783 80.962 50.371 440 3HD1 ILE 7 3HD1 ILE 7 113.660 80.068 49.130 441 HA PRO 8 HA PRO 8 108.556 80.001 43.923 442 1HB PRO 8 1HB PRO 8 109.273 78.397 41.830 443 2HB PRO 8 2HB PRO 8 110.102 79.921 42.210 444 1HG PRO 8 1HG PRO 8 110.906 77.127 42.829 445 2HG PRO 8 2HG PRO 8 111.898 78.501 42.321 446 1HD PRO 8 1HD PRO 8 111.745 77.633 44.899 447 2HD PRO 8 2HD PRO 8 112.089 79.319 44.451 448 HA PRO 9 HA PRO 9 105.693 76.705 44.595 449 1HB PRO 9 1HB PRO 9 103.790 77.343 42.735 450 2HB PRO 9 2HB PRO 9 104.007 78.251 44.244 451 1HG PRO 9 1HG PRO 9 104.913 78.914 41.490 452 2HG PRO 9 2HG PRO 9 104.287 79.977 42.760 453 1HD PRO 9 1HD PRO 9 106.940 79.744 42.149 454 2HD PRO 9 2HD PRO 9 106.331 80.210 43.753 455 H GLY 10 H GLY 10 104.385 75.043 43.127 456 1HA GLY 10 1HA GLY 10 104.373 73.865 40.944 457 2HA GLY 10 2HA GLY 10 106.078 74.289 40.781 458 H LEU 11 H LEU 11 106.504 73.668 43.706 459 HA LEU 11 HA LEU 11 107.002 70.783 43.339 460 1HB LEU 11 1HB LEU 11 108.607 72.559 44.262 461 2HB LEU 11 2HB LEU 11 107.617 72.544 45.722 462 HG LEU 11 HG LEU 11 108.036 69.851 45.235 463 1HD1 LEU 11 1HD1 LEU 11 110.544 71.425 44.580 464 2HD1 LEU 11 2HD1 LEU 11 110.525 69.703 44.960 465 3HD1 LEU 11 3HD1 LEU 11 109.698 70.297 43.519 466 1HD2 LEU 11 1HD2 LEU 11 109.041 71.928 47.092 467 2HD2 LEU 11 2HD2 LEU 11 108.300 70.366 47.445 468 3HD2 LEU 11 3HD2 LEU 11 110.009 70.456 47.021 469 H THR 12 H THR 12 105.383 72.859 45.778 470 HA THR 12 HA THR 12 104.321 70.855 47.438 471 HB THR 12 HB THR 12 103.054 73.466 46.547 472 HG1 THR 12 HG1 THR 12 104.261 74.361 48.184 473 1HG2 THR 12 1HG2 THR 12 102.756 71.840 49.087 474 2HG2 THR 12 2HG2 THR 12 102.037 73.425 48.803 475 3HG2 THR 12 3HG2 THR 12 101.527 72.041 47.836 476 H GLU 13 H GLU 13 103.331 71.823 44.218 477 HA GLU 13 HA GLU 13 100.681 70.680 44.256 478 1HB GLU 13 1HB GLU 13 102.689 71.651 42.265 479 2HB GLU 13 2HB GLU 13 101.349 70.674 41.663 480 1HG GLU 13 1HG GLU 13 99.910 72.298 43.185 481 2HG GLU 13 2HG GLU 13 101.292 73.372 42.963 482 H LEU 14 H LEU 14 103.682 69.474 42.688 483 HA LEU 14 HA LEU 14 102.734 66.902 42.006 484 1HB LEU 14 1HB LEU 14 105.430 68.064 42.714 485 2HB LEU 14 2HB LEU 14 105.266 66.376 42.228 486 HG LEU 14 HG LEU 14 104.067 68.584 40.564 487 1HD1 LEU 14 1HD1 LEU 14 106.922 67.823 40.881 488 2HD1 LEU 14 2HD1 LEU 14 106.344 67.992 39.224 489 3HD1 LEU 14 3HD1 LEU 14 106.216 69.347 40.344 490 1HD2 LEU 14 1HD2 LEU 14 104.803 65.686 40.231 491 2HD2 LEU 14 2HD2 LEU 14 103.298 66.505 39.814 492 3HD2 LEU 14 3HD2 LEU 14 104.732 66.733 38.814 493 H LEU 15 H LEU 15 104.264 68.027 45.029 494 HA LEU 15 HA LEU 15 104.453 65.508 46.343 495 1HB LEU 15 1HB LEU 15 104.529 68.380 46.966 496 2HB LEU 15 2HB LEU 15 103.967 67.392 48.315 497 HG LEU 15 HG LEU 15 105.965 65.914 47.994 498 1HD1 LEU 15 1HD1 LEU 15 106.783 68.104 46.058 499 2HD1 LEU 15 2HD1 LEU 15 107.813 66.774 46.589 500 3HD1 LEU 15 3HD1 LEU 15 106.376 66.444 45.620 501 1HD2 LEU 15 1HD2 LEU 15 105.970 68.722 48.870 502 2HD2 LEU 15 2HD2 LEU 15 106.580 67.288 49.695 503 3HD2 LEU 15 3HD2 LEU 15 107.576 68.100 48.488 504 H GLN 16 H GLN 16 101.805 67.921 46.340 505 HA GLN 16 HA GLN 16 100.039 66.663 48.149 506 1HB GLN 16 1HB GLN 16 100.058 68.811 46.366 507 2HB GLN 16 2HB GLN 16 98.746 67.789 45.777 508 1HG GLN 16 1HG GLN 16 97.877 67.690 48.149 509 2HG GLN 16 2HG GLN 16 99.076 68.913 48.569 510 1HE2 GLN 16 2HE2 GLN 16 99.010 70.818 46.715 511 2HE2 GLN 16 1HE2 GLN 16 97.447 71.414 46.427 512 H GLY 17 H GLY 17 100.583 66.027 44.689 513 1HA GLY 17 1HA GLY 17 98.457 64.196 44.267 514 2HA GLY 17 2HA GLY 17 99.980 64.177 43.374 515 H TYR 18 H TYR 18 101.883 63.442 45.023 516 HA TYR 18 HA TYR 18 101.762 60.703 45.428 517 1HB TYR 18 1HB TYR 18 103.589 62.631 45.742 518 2HB TYR 18 2HB TYR 18 103.179 62.404 47.442 519 HD1 TYR 18 HD1 TYR 18 103.402 60.020 44.554 520 HD2 TYR 18 HD2 TYR 18 104.842 61.110 48.470 521 HE1 TYR 18 HE1 TYR 18 104.798 57.949 44.616 522 HE2 TYR 18 HE2 TYR 18 106.239 59.048 48.538 523 HH TYR 18 HH TYR 18 105.926 56.534 46.119 524 H THR 19 H THR 19 100.790 63.243 47.727 525 HA THR 19 HA THR 19 100.227 61.554 49.962 526 HB THR 19 HB THR 19 99.046 64.191 49.026 527 HG1 THR 19 HG1 THR 19 100.717 65.077 50.029 528 1HG2 THR 19 1HG2 THR 19 97.693 62.999 50.774 529 2HG2 THR 19 2HG2 THR 19 99.114 63.028 51.820 530 3HG2 THR 19 3HG2 THR 19 98.358 64.540 51.316 531 H VAL 20 H VAL 20 98.271 62.525 47.160 532 HA VAL 20 HA VAL 20 95.840 61.241 48.178 533 HB VAL 20 HB VAL 20 96.650 62.418 45.502 534 1HG1 VAL 20 1HG1 VAL 20 94.016 61.379 46.559 535 2HG1 VAL 20 2HG1 VAL 20 94.093 62.558 45.250 536 3HG1 VAL 20 3HG1 VAL 20 94.824 60.966 45.046 537 1HG2 VAL 20 1HG2 VAL 20 95.868 63.548 48.050 538 2HG2 VAL 20 2HG2 VAL 20 96.375 64.380 46.580 539 3HG2 VAL 20 3HG2 VAL 20 94.679 63.956 46.814 540 H GLU 21 H GLU 21 98.591 60.288 46.244 541 HA GLU 21 HA GLU 21 97.194 57.959 45.066 542 1HB GLU 21 1HB GLU 21 100.175 58.244 45.036 543 2HB GLU 21 2HB GLU 21 99.095 57.745 43.742 544 1HG GLU 21 1HG GLU 21 98.335 60.357 44.119 545 2HG GLU 21 2HG GLU 21 100.067 60.427 44.458 546 H VAL 22 H VAL 22 99.830 58.583 47.359 547 HA VAL 22 HA VAL 22 100.371 55.894 48.094 548 HB VAL 22 HB VAL 22 100.567 58.498 49.644 549 1HG1 VAL 22 1HG1 VAL 22 100.865 55.999 50.673 550 2HG1 VAL 22 2HG1 VAL 22 102.496 56.303 50.078 551 3HG1 VAL 22 3HG1 VAL 22 101.764 57.405 51.242 552 1HG2 VAL 22 1HG2 VAL 22 101.713 58.246 47.330 553 2HG2 VAL 22 2HG2 VAL 22 102.719 58.754 48.687 554 3HG2 VAL 22 3HG2 VAL 22 102.765 57.081 48.133 555 H LEU 23 H LEU 23 97.936 58.194 49.289 556 HA LEU 23 HA LEU 23 97.089 56.430 51.475 557 1HB LEU 23 1HB LEU 23 96.617 59.125 50.456 558 2HB LEU 23 2HB LEU 23 95.122 58.352 50.980 559 HG LEU 23 HG LEU 23 96.133 57.826 53.156 560 1HD1 LEU 23 1HD1 LEU 23 98.560 58.658 51.713 561 2HD1 LEU 23 2HD1 LEU 23 98.424 59.345 53.332 562 3HD1 LEU 23 3HD1 LEU 23 98.392 57.596 53.111 563 1HD2 LEU 23 1HD2 LEU 23 95.197 60.228 52.388 564 2HD2 LEU 23 2HD2 LEU 23 95.804 59.937 54.018 565 3HD2 LEU 23 3HD2 LEU 23 96.841 60.704 52.813 566 H ARG 24 H ARG 24 95.844 57.345 48.256 567 HA ARG 24 HA ARG 24 93.440 55.728 48.469 568 1HB ARG 24 1HB ARG 24 94.961 57.143 46.279 569 2HB ARG 24 2HB ARG 24 93.531 56.180 45.912 570 1HG ARG 24 1HG ARG 24 92.979 57.865 48.179 571 2HG ARG 24 2HG ARG 24 93.611 58.851 46.859 572 1HD ARG 24 1HD ARG 24 91.784 58.459 45.521 573 2HD ARG 24 2HD ARG 24 91.589 56.795 46.106 574 HE ARG 24 HE ARG 24 90.596 57.731 48.180 575 1HH1 ARG 24 1HH1 ARG 24 91.825 60.497 47.085 576 2HH1 ARG 24 2HH1 ARG 24 90.342 61.376 46.920 577 1HH2 ARG 24 1HH2 ARG 24 88.333 58.571 47.283 578 2HH2 ARG 24 2HH2 ARG 24 88.365 60.285 47.033 579 H GLN 25 H GLN 25 96.120 55.351 46.127 580 HA GLN 25 HA GLN 25 95.601 52.669 45.436 581 1HB GLN 25 1HB GLN 25 97.720 54.655 45.193 582 2HB GLN 25 2HB GLN 25 98.376 53.024 45.315 583 1HG GLN 25 1HG GLN 25 96.208 53.886 43.378 584 2HG GLN 25 2HG GLN 25 97.906 53.652 42.960 585 1HE2 GLN 25 2HE2 GLN 25 98.785 51.368 43.446 586 2HE2 GLN 25 1HE2 GLN 25 97.721 50.061 43.245 587 H GLN 26 H GLN 26 97.517 53.970 48.126 588 HA GLN 26 HA GLN 26 98.475 52.886 49.998 589 1HB GLN 26 1HB GLN 26 95.817 52.059 49.526 590 2HB GLN 26 2HB GLN 26 96.702 50.591 49.936 591 1HG GLN 26 1HG GLN 26 97.390 51.450 52.031 592 2HG GLN 26 2HG GLN 26 97.000 53.108 51.572 593 1HE2 GLN 26 2HE2 GLN 26 94.486 53.279 50.873 594 2HE2 GLN 26 1HE2 GLN 26 93.410 52.532 51.951 595 HA PRO 27 HA PRO 27 100.369 49.692 47.096 596 1HB PRO 27 1HB PRO 27 102.806 50.903 46.785 597 2HB PRO 27 2HB PRO 27 101.430 51.206 45.705 598 1HG PRO 27 1HG PRO 27 102.448 52.840 47.977 599 2HG PRO 27 2HG PRO 27 101.829 53.360 46.401 600 1HD PRO 27 1HD PRO 27 100.355 53.467 48.681 601 2HD PRO 27 2HD PRO 27 99.640 53.235 47.069 602 HA PRO 28 HA PRO 28 102.374 47.983 50.637 603 1HB PRO 28 1HB PRO 28 103.849 46.009 49.441 604 2HB PRO 28 2HB PRO 28 102.091 45.902 49.665 605 1HG PRO 28 1HG PRO 28 103.648 46.638 47.234 606 2HG PRO 28 2HG PRO 28 102.185 45.649 47.382 607 1HD PRO 28 1HD PRO 28 102.147 48.239 46.558 608 2HD PRO 28 2HD PRO 28 100.796 47.474 47.423 609 H ASP 29 H ASP 29 104.272 48.951 47.822 610 HA ASP 29 HA ASP 29 106.582 49.532 49.651 611 1HB ASP 29 1HB ASP 29 106.421 48.440 46.835 612 2HB ASP 29 2HB ASP 29 107.915 49.120 47.483 613 H LEU 30 H LEU 30 106.851 51.724 49.805 614 HA LEU 30 HA LEU 30 105.628 53.563 47.892 615 1HB LEU 30 1HB LEU 30 105.912 53.834 50.412 616 2HB LEU 30 2HB LEU 30 107.624 54.123 50.101 617 HG LEU 30 HG LEU 30 106.627 55.857 48.332 618 1HD1 LEU 30 1HD1 LEU 30 104.443 55.355 50.341 619 2HD1 LEU 30 2HD1 LEU 30 104.649 56.964 49.647 620 3HD1 LEU 30 3HD1 LEU 30 104.314 55.587 48.597 621 1HD2 LEU 30 1HD2 LEU 30 108.124 56.254 50.354 622 2HD2 LEU 30 2HD2 LEU 30 107.041 57.586 49.950 623 3HD2 LEU 30 3HD2 LEU 30 106.652 56.509 51.291 624 H VAL 31 H VAL 31 108.911 52.405 48.602 625 HA VAL 31 HA VAL 31 110.485 54.191 47.122 626 HB VAL 31 HB VAL 31 110.683 51.165 47.308 627 1HG1 VAL 31 1HG1 VAL 31 112.202 52.733 45.730 628 2HG1 VAL 31 2HG1 VAL 31 113.070 52.947 47.251 629 3HG1 VAL 31 3HG1 VAL 31 112.856 51.331 46.576 630 1HG2 VAL 31 1HG2 VAL 31 110.839 53.264 49.292 631 2HG2 VAL 31 2HG2 VAL 31 110.971 51.519 49.518 632 3HG2 VAL 31 3HG2 VAL 31 112.407 52.470 49.135 633 H ASP 32 H ASP 32 109.483 51.021 45.809 634 HA ASP 32 HA ASP 32 109.990 51.587 43.092 635 1HB ASP 32 1HB ASP 32 109.063 49.509 44.657 636 2HB ASP 32 2HB ASP 32 107.653 49.888 43.663 637 H PHE 33 H PHE 33 107.016 52.079 45.002 638 HA PHE 33 HA PHE 33 105.302 52.949 42.905 639 1HB PHE 33 1HB PHE 33 104.641 52.379 45.227 640 2HB PHE 33 2HB PHE 33 105.482 53.815 45.812 641 HD1 PHE 33 HD1 PHE 33 103.152 53.112 42.933 642 HD2 PHE 33 HD2 PHE 33 104.003 55.517 46.416 643 HE1 PHE 33 HE1 PHE 33 101.126 54.491 42.475 644 HE2 PHE 33 HE2 PHE 33 101.977 56.896 45.958 645 HZ PHE 33 HZ PHE 33 100.538 56.383 43.988 646 H ALA 34 H ALA 34 107.328 54.899 45.132 647 HA ALA 34 HA ALA 34 106.835 57.456 44.056 648 1HB ALA 34 1HB ALA 34 108.437 56.298 45.979 649 2HB ALA 34 2HB ALA 34 109.626 56.880 44.814 650 3HB ALA 34 3HB ALA 34 108.479 58.006 45.540 651 H VAL 35 H VAL 35 109.290 55.049 43.064 652 HA VAL 35 HA VAL 35 110.413 56.670 40.957 653 HB VAL 35 HB VAL 35 110.374 53.683 41.499 654 1HG1 VAL 35 1HG1 VAL 35 111.999 55.420 39.645 655 2HG1 VAL 35 2HG1 VAL 35 112.586 53.854 40.203 656 3HG1 VAL 35 3HG1 VAL 35 111.099 53.953 39.262 657 1HG2 VAL 35 1HG2 VAL 35 111.273 55.233 43.309 658 2HG2 VAL 35 2HG2 VAL 35 112.424 54.046 42.698 659 3HG2 VAL 35 3HG2 VAL 35 112.515 55.723 42.158 660 H GLU 36 H GLU 36 107.734 54.383 41.161 661 HA GLU 36 HA GLU 36 107.400 54.139 38.269 662 1HB GLU 36 1HB GLU 36 106.735 52.276 39.539 663 2HB GLU 36 2HB GLU 36 106.018 53.272 40.802 664 1HG GLU 36 1HG GLU 36 104.014 53.337 39.765 665 2HG GLU 36 2HG GLU 36 104.742 53.629 38.186 666 H TYR 37 H TYR 37 106.216 56.223 40.836 667 HA TYR 37 HA TYR 37 103.943 57.280 39.352 668 1HB TYR 37 1HB TYR 37 104.080 57.225 41.809 669 2HB TYR 37 2HB TYR 37 105.499 58.273 41.763 670 HD1 TYR 37 HD1 TYR 37 102.207 58.328 39.936 671 HD2 TYR 37 HD2 TYR 37 104.945 60.415 42.541 672 HE1 TYR 37 HE1 TYR 37 100.725 60.332 39.886 673 HE2 TYR 37 HE2 TYR 37 103.464 62.420 42.491 674 HH TYR 37 HH TYR 37 101.284 63.089 41.991 675 H PHE 38 H PHE 38 106.849 59.015 40.520 676 HA PHE 38 HA PHE 38 106.641 61.254 38.839 677 1HB PHE 38 1HB PHE 38 108.869 59.787 40.221 678 2HB PHE 38 2HB PHE 38 109.253 61.169 39.192 679 HD1 PHE 38 HD1 PHE 38 107.165 63.080 39.546 680 HD2 PHE 38 HD2 PHE 38 108.873 60.414 42.484 681 HE1 PHE 38 HE1 PHE 38 106.465 64.634 41.366 682 HE2 PHE 38 HE2 PHE 38 108.171 61.969 44.301 683 HZ PHE 38 HZ PHE 38 106.968 64.079 43.743 684 H THR 39 H THR 39 108.422 58.202 38.200 685 HA THR 39 HA THR 39 109.547 58.887 35.703 686 HB THR 39 HB THR 39 108.439 56.291 36.814 687 HG1 THR 39 HG1 THR 39 110.249 56.314 37.843 688 1HG2 THR 39 1HG2 THR 39 109.286 56.866 34.145 689 2HG2 THR 39 2HG2 THR 39 110.519 55.860 34.907 690 3HG2 THR 39 3HG2 THR 39 108.846 55.305 34.836 691 H ARG 40 H ARG 40 106.285 57.639 36.445 692 HA ARG 40 HA ARG 40 105.361 57.318 33.768 693 1HB ARG 40 1HB ARG 40 104.283 57.579 36.505 694 2HB ARG 40 2HB ARG 40 103.157 58.062 35.236 695 1HG ARG 40 1HG ARG 40 104.629 55.572 34.664 696 2HG ARG 40 2HG ARG 40 103.546 55.474 36.054 697 1HD ARG 40 1HD ARG 40 101.643 55.808 34.768 698 2HD ARG 40 2HD ARG 40 102.511 56.766 33.552 699 HE ARG 40 HE ARG 40 103.075 53.846 33.835 700 1HH1 ARG 40 1HH2 ARG 40 100.885 55.647 32.168 701 2HH1 ARG 40 2HH2 ARG 40 101.470 55.274 30.581 702 1HH2 ARG 40 1HH1 ARG 40 104.379 53.768 31.720 703 2HH2 ARG 40 2HH1 ARG 40 103.448 54.210 30.328 704 H LEU 41 H LEU 41 105.725 60.175 35.792 705 HA LEU 41 HA LEU 41 104.088 61.926 34.141 706 1HB LEU 41 1HB LEU 41 105.883 62.055 36.500 707 2HB LEU 41 2HB LEU 41 105.738 63.550 35.575 708 HG LEU 41 HG LEU 41 103.342 61.944 36.490 709 1HD1 LEU 41 1HD1 LEU 41 104.691 62.739 38.432 710 2HD1 LEU 41 2HD1 LEU 41 104.584 64.381 37.800 711 3HD1 LEU 41 3HD1 LEU 41 103.125 63.543 38.326 712 1HD2 LEU 41 1HD2 LEU 41 103.504 63.864 34.581 713 2HD2 LEU 41 2HD2 LEU 41 102.080 63.634 35.595 714 3HD2 LEU 41 3HD2 LEU 41 103.266 64.873 36.007 715 H ARG 42 H ARG 42 107.426 60.849 34.083 716 HA ARG 42 HA ARG 42 108.481 62.997 32.465 717 1HB ARG 42 1HB ARG 42 109.931 61.644 33.815 718 2HB ARG 42 2HB ARG 42 109.281 60.152 33.137 719 1HG ARG 42 1HG ARG 42 110.770 60.205 31.464 720 2HG ARG 42 2HG ARG 42 110.275 61.837 31.023 721 1HD ARG 42 1HD ARG 42 111.837 62.829 32.553 722 2HD ARG 42 2HD ARG 42 112.165 61.265 33.326 723 HE ARG 42 HE ARG 42 113.629 60.775 31.541 724 1HH1 ARG 42 1HH2 ARG 42 113.540 63.833 31.028 725 2HH1 ARG 42 2HH2 ARG 42 113.271 63.848 29.317 726 1HH2 ARG 42 1HH1 ARG 42 112.335 60.514 29.165 727 2HH2 ARG 42 2HH1 ARG 42 112.590 61.969 28.262 728 H GLU 43 H GLU 43 107.360 59.673 31.722 729 HA GLU 43 HA GLU 43 107.767 59.800 28.895 730 1HB GLU 43 1HB GLU 43 105.742 58.274 30.570 731 2HB GLU 43 2HB GLU 43 106.215 57.865 28.920 732 1HG GLU 43 1HG GLU 43 108.468 58.207 30.799 733 2HG GLU 43 2HG GLU 43 107.415 56.838 31.152 734 H ALA 44 H ALA 44 105.212 61.030 30.965 735 HA ALA 44 HA ALA 44 103.168 61.389 28.971 736 1HB ALA 44 1HB ALA 44 103.629 61.875 31.730 737 2HB ALA 44 2HB ALA 44 103.165 63.422 31.016 738 3HB ALA 44 3HB ALA 44 102.101 62.021 30.860 739 H ARG 45 H ARG 45 105.219 63.875 30.512 740 HA ARG 45 HA ARG 45 104.678 66.027 28.854 741 1HB ARG 45 1HB ARG 45 106.112 65.883 30.934 742 2HB ARG 45 2HB ARG 45 107.412 65.264 29.914 743 1HG ARG 45 1HG ARG 45 107.970 67.380 29.400 744 2HG ARG 45 2HG ARG 45 106.399 67.576 28.622 745 1HD ARG 45 1HD ARG 45 105.427 68.124 30.894 746 2HD ARG 45 2HD ARG 45 107.087 68.150 31.522 747 HE ARG 45 HE ARG 45 105.901 70.212 29.890 748 1HH1 ARG 45 1HH2 ARG 45 108.352 70.350 31.741 749 2HH1 ARG 45 2HH2 ARG 45 109.595 70.736 30.598 750 1HH2 ARG 45 1HH1 ARG 45 107.691 69.873 27.834 751 2HH2 ARG 45 2HH1 ARG 45 109.222 70.465 28.388 752 H ARG 46 H ARG 46 107.586 63.986 28.421 753 HA ARG 46 HA ARG 46 107.178 63.959 25.490 754 1HB ARG 46 1HB ARG 46 108.556 66.029 26.675 755 2HB ARG 46 2HB ARG 46 109.855 64.903 26.281 756 1HG ARG 46 1HG ARG 46 107.749 65.534 24.230 757 2HG ARG 46 2HG ARG 46 109.099 66.642 24.476 758 1HD ARG 46 1HD ARG 46 110.107 63.940 24.357 759 2HD ARG 46 2HD ARG 46 109.114 64.274 22.924 760 HE ARG 46 HE ARG 46 110.515 66.259 22.499 761 1HH1 ARG 46 1HH2 ARG 46 112.413 63.894 22.637 762 2HH1 ARG 46 2HH2 ARG 46 113.667 64.522 23.653 763 1HH2 ARG 46 1HH1 ARG 46 111.759 67.170 24.823 764 2HH2 ARG 46 2HH1 ARG 46 113.298 66.376 24.891 Start of MODEL 17 1 1H HIS 1 1H HIS 1 90.164 67.420 72.097 2 2H HIS 1 2H HIS 1 90.547 67.498 73.747 3 3H HIS 1 3H HIS 1 90.899 68.814 72.731 4 HA HIS 1 HA HIS 1 92.581 67.581 71.577 5 1HB HIS 1 1HB HIS 1 92.624 67.364 74.604 6 2HB HIS 1 2HB HIS 1 94.052 67.201 73.582 7 HD1 HIS 1 HD1 HIS 1 94.415 69.374 71.891 8 HD2 HIS 1 HD2 HIS 1 92.131 69.985 75.326 9 HE1 HIS 1 HE1 HIS 1 94.350 71.877 72.273 10 H MET 2 H MET 2 91.698 65.671 70.525 11 HA MET 2 HA MET 2 91.757 63.178 72.189 12 1HB MET 2 1HB MET 2 89.625 63.840 71.065 13 2HB MET 2 2HB MET 2 90.453 63.758 69.508 14 1HG MET 2 1HG MET 2 90.223 61.520 69.425 15 2HG MET 2 2HG MET 2 90.921 61.339 71.034 16 1HE MET 2 1HE MET 2 89.215 59.208 70.791 17 2HE MET 2 2HE MET 2 89.640 59.790 72.405 18 3HE MET 2 3HE MET 2 87.979 59.336 72.039 19 H GLY 3 H GLY 3 92.616 64.442 68.947 20 1HA GLY 3 1HA GLY 3 94.570 63.992 67.687 21 2HA GLY 3 2HA GLY 3 95.130 62.946 68.992 22 H HIS 4 H HIS 4 94.065 62.911 65.849 23 HA HIS 4 HA HIS 4 93.616 59.980 65.963 24 1HB HIS 4 1HB HIS 4 91.434 61.269 66.285 25 2HB HIS 4 2HB HIS 4 91.644 61.859 64.636 26 HD1 HIS 4 HD1 HIS 4 91.630 58.484 66.432 27 HD2 HIS 4 HD2 HIS 4 90.536 60.155 62.773 28 HE1 HIS 4 HE1 HIS 4 90.545 56.628 65.092 29 H ILE 5 H ILE 5 95.596 59.876 64.720 30 HA ILE 5 HA ILE 5 95.374 60.970 61.935 31 HB ILE 5 HB ILE 5 97.148 61.943 63.369 32 1HG1 ILE 5 1HG1 ILE 5 99.122 61.215 61.869 33 2HG1 ILE 5 2HG1 ILE 5 97.953 60.170 61.060 34 1HG2 ILE 5 1HG2 ILE 5 98.072 59.060 63.541 35 2HG2 ILE 5 2HG2 ILE 5 99.037 60.444 64.050 36 3HG2 ILE 5 3HG2 ILE 5 97.525 60.074 64.877 37 1HD1 ILE 5 1HD1 ILE 5 97.449 63.121 61.477 38 2HD1 ILE 5 2HD1 ILE 5 98.275 62.502 60.047 39 3HD1 ILE 5 3HD1 ILE 5 96.612 62.020 60.383 40 H GLN 6 H GLN 6 95.696 59.514 60.242 41 HA GLN 6 HA GLN 6 96.325 56.676 60.992 42 1HB GLN 6 1HB GLN 6 93.886 57.519 60.350 43 2HB GLN 6 2HB GLN 6 94.518 57.389 58.708 44 1HG GLN 6 1HG GLN 6 95.346 55.032 59.487 45 2HG GLN 6 2HG GLN 6 94.142 55.224 60.761 46 1HE2 GLN 6 2HE2 GLN 6 94.582 54.435 57.418 47 2HE2 GLN 6 1HE2 GLN 6 92.939 54.331 57.005 48 H ILE 7 H ILE 7 98.531 57.870 60.297 49 HA ILE 7 HA ILE 7 98.909 57.288 57.385 50 HB ILE 7 HB ILE 7 100.280 59.307 57.238 51 1HG1 ILE 7 1HG1 ILE 7 100.059 60.839 59.386 52 2HG1 ILE 7 2HG1 ILE 7 99.859 59.291 60.208 53 1HG2 ILE 7 1HG2 ILE 7 97.677 59.351 57.149 54 2HG2 ILE 7 2HG2 ILE 7 97.796 60.160 58.713 55 3HG2 ILE 7 3HG2 ILE 7 98.538 60.884 57.286 56 1HD1 ILE 7 1HD1 ILE 7 101.990 58.888 58.436 57 2HD1 ILE 7 2HD1 ILE 7 102.274 60.487 59.126 58 3HD1 ILE 7 3HD1 ILE 7 102.102 59.087 60.185 59 HA PRO 8 HA PRO 8 102.319 54.917 58.822 60 1HB PRO 8 1HB PRO 8 103.912 54.942 56.601 61 2HB PRO 8 2HB PRO 8 102.426 53.978 56.716 62 1HG PRO 8 1HG PRO 8 102.887 56.590 55.378 63 2HG PRO 8 2HG PRO 8 101.904 55.215 54.859 64 1HD PRO 8 1HD PRO 8 100.861 57.469 55.982 65 2HD PRO 8 2HD PRO 8 100.097 55.868 56.101 66 HA PRO 9 HA PRO 9 105.002 58.289 60.075 67 1HB PRO 9 1HB PRO 9 106.507 56.870 61.863 68 2HB PRO 9 2HB PRO 9 104.876 57.464 62.231 69 1HG PRO 9 1HG PRO 9 105.767 54.735 61.460 70 2HG PRO 9 2HG PRO 9 104.518 55.234 62.612 71 1HD PRO 9 1HD PRO 9 103.990 54.325 60.085 72 2HD PRO 9 2HD PRO 9 102.918 55.414 60.993 73 H GLY 10 H GLY 10 107.326 58.770 59.847 74 1HA GLY 10 1HA GLY 10 109.566 58.212 59.134 75 2HA GLY 10 2HA GLY 10 108.945 56.710 58.449 76 H LEU 11 H LEU 11 106.692 58.023 57.098 77 HA LEU 11 HA LEU 11 107.907 58.606 54.578 78 1HB LEU 11 1HB LEU 11 105.478 57.904 55.374 79 2HB LEU 11 2HB LEU 11 105.205 59.646 55.375 80 HG LEU 11 HG LEU 11 106.609 58.735 52.976 81 1HD1 LEU 11 1HD1 LEU 11 104.019 57.461 53.801 82 2HD1 LEU 11 2HD1 LEU 11 104.280 57.844 52.099 83 3HD1 LEU 11 3HD1 LEU 11 105.385 56.754 52.936 84 1HD2 LEU 11 1HD2 LEU 11 105.244 60.926 53.651 85 2HD2 LEU 11 2HD2 LEU 11 105.292 60.361 51.981 86 3HD2 LEU 11 3HD2 LEU 11 103.895 59.998 52.996 87 H THR 12 H THR 12 106.717 60.722 57.181 88 HA THR 12 HA THR 12 106.854 63.229 55.912 89 HB THR 12 HB THR 12 107.698 62.541 58.743 90 HG1 THR 12 HG1 THR 12 105.460 62.743 59.173 91 1HG2 THR 12 1HG2 THR 12 108.015 64.907 57.932 92 2HG2 THR 12 2HG2 THR 12 106.275 64.983 57.657 93 3HG2 THR 12 3HG2 THR 12 106.901 64.751 59.290 94 H GLU 13 H GLU 13 109.467 61.403 57.513 95 HA GLU 13 HA GLU 13 111.509 63.395 57.149 96 1HB GLU 13 1HB GLU 13 111.284 61.174 58.590 97 2HB GLU 13 2HB GLU 13 112.080 60.453 57.191 98 1HG GLU 13 1HG GLU 13 113.849 61.105 58.646 99 2HG GLU 13 2HG GLU 13 113.803 62.341 57.388 100 H LEU 14 H LEU 14 110.157 60.949 55.032 101 HA LEU 14 HA LEU 14 112.348 60.851 53.140 102 1HB LEU 14 1HB LEU 14 110.345 59.250 53.584 103 2HB LEU 14 2HB LEU 14 109.433 60.342 52.540 104 HG LEU 14 HG LEU 14 111.612 60.019 50.998 105 1HD1 LEU 14 1HD1 LEU 14 111.385 57.523 52.696 106 2HD1 LEU 14 2HD1 LEU 14 112.172 57.537 51.118 107 3HD1 LEU 14 3HD1 LEU 14 112.815 58.521 52.433 108 1HD2 LEU 14 1HD2 LEU 14 109.039 58.527 51.261 109 2HD2 LEU 14 2HD2 LEU 14 109.624 59.530 49.933 110 3HD2 LEU 14 3HD2 LEU 14 110.234 57.887 50.133 111 H LEU 15 H LEU 15 109.150 62.482 53.019 112 HA LEU 15 HA LEU 15 109.590 63.899 50.588 113 1HB LEU 15 1HB LEU 15 107.944 64.594 53.046 114 2HB LEU 15 2HB LEU 15 107.723 65.304 51.448 115 HG LEU 15 HG LEU 15 107.422 62.367 52.148 116 1HD1 LEU 15 1HD1 LEU 15 105.585 64.652 52.031 117 2HD1 LEU 15 2HD1 LEU 15 105.068 63.297 51.026 118 3HD1 LEU 15 3HD1 LEU 15 105.350 63.059 52.751 119 1HD2 LEU 15 1HD2 LEU 15 107.132 63.863 49.524 120 2HD2 LEU 15 2HD2 LEU 15 108.313 62.608 49.895 121 3HD2 LEU 15 3HD2 LEU 15 106.601 62.200 49.781 122 H GLN 16 H GLN 16 110.184 64.883 53.979 123 HA GLN 16 HA GLN 16 111.041 67.538 53.553 124 1HB GLN 16 1HB GLN 16 110.989 65.599 55.602 125 2HB GLN 16 2HB GLN 16 112.670 66.123 55.500 126 1HG GLN 16 1HG GLN 16 111.624 68.531 55.399 127 2HG GLN 16 2HG GLN 16 110.221 67.745 56.124 128 1HE2 GLN 16 2HE2 GLN 16 110.540 68.802 58.206 129 2HE2 GLN 16 1HE2 GLN 16 111.831 68.382 59.225 130 H GLY 17 H GLY 17 112.849 64.490 53.203 131 1HA GLY 17 1HA GLY 17 115.438 65.568 52.804 132 2HA GLY 17 2HA GLY 17 114.874 64.053 52.093 133 H TYR 18 H TYR 18 113.041 64.653 50.295 134 HA TYR 18 HA TYR 18 114.285 65.585 47.996 135 1HB TYR 18 1HB TYR 18 111.900 64.562 48.620 136 2HB TYR 18 2HB TYR 18 111.405 66.249 48.483 137 HD1 TYR 18 HD1 TYR 18 113.963 64.237 46.624 138 HD2 TYR 18 HD2 TYR 18 110.318 66.535 46.421 139 HE1 TYR 18 HE1 TYR 18 113.977 64.038 44.133 140 HE2 TYR 18 HE2 TYR 18 110.324 66.337 43.937 141 HH TYR 18 HH TYR 18 113.064 65.152 42.191 142 H THR 19 H THR 19 112.484 67.512 50.387 143 HA THR 19 HA THR 19 112.542 70.013 49.015 144 HB THR 19 HB THR 19 112.655 69.470 51.998 145 HG1 THR 19 HG1 THR 19 110.534 69.314 50.135 146 1HG2 THR 19 1HG2 THR 19 111.356 71.670 50.369 147 2HG2 THR 19 2HG2 THR 19 111.266 71.501 52.123 148 3HG2 THR 19 3HG2 THR 19 112.814 71.837 51.347 149 H VAL 20 H VAL 20 114.882 68.446 51.183 150 HA VAL 20 HA VAL 20 116.656 70.767 51.287 151 HB VAL 20 HB VAL 20 117.025 67.847 52.026 152 1HG1 VAL 20 1HG1 VAL 20 118.770 70.196 52.137 153 2HG1 VAL 20 2HG1 VAL 20 118.563 69.428 53.711 154 3HG1 VAL 20 3HG1 VAL 20 119.171 68.492 52.346 155 1HG2 VAL 20 1HG2 VAL 20 115.116 69.259 53.094 156 2HG2 VAL 20 2HG2 VAL 20 116.212 68.394 54.171 157 3HG2 VAL 20 3HG2 VAL 20 116.418 70.125 53.908 158 H GLU 21 H GLU 21 116.278 67.981 49.196 159 HA GLU 21 HA GLU 21 118.998 68.247 48.057 160 1HB GLU 21 1HB GLU 21 116.876 66.641 46.700 161 2HB GLU 21 2HB GLU 21 118.553 66.222 47.026 162 1HG GLU 21 1HG GLU 21 117.575 66.301 49.558 163 2HG GLU 21 2HG GLU 21 116.136 65.790 48.675 164 H VAL 22 H VAL 22 115.660 68.486 46.850 165 HA VAL 22 HA VAL 22 116.177 69.508 44.284 166 HB VAL 22 HB VAL 22 113.931 70.058 46.250 167 1HG1 VAL 22 1HG1 VAL 22 114.317 70.674 43.344 168 2HG1 VAL 22 2HG1 VAL 22 112.704 70.262 43.928 169 3HG1 VAL 22 3HG1 VAL 22 113.557 71.651 44.602 170 1HG2 VAL 22 1HG2 VAL 22 114.488 67.640 45.599 171 2HG2 VAL 22 2HG2 VAL 22 112.839 68.167 45.271 172 3HG2 VAL 22 3HG2 VAL 22 114.016 68.079 43.960 173 H LEU 23 H LEU 23 116.072 71.199 47.405 174 HA LEU 23 HA LEU 23 116.230 73.863 46.212 175 1HB LEU 23 1HB LEU 23 116.209 72.583 48.899 176 2HB LEU 23 2HB LEU 23 116.952 74.180 48.799 177 HG LEU 23 HG LEU 23 114.215 73.554 47.667 178 1HD1 LEU 23 1HD1 LEU 23 114.445 73.273 50.206 179 2HD1 LEU 23 2HD1 LEU 23 114.796 75.001 50.258 180 3HD1 LEU 23 3HD1 LEU 23 113.238 74.437 49.656 181 1HD2 LEU 23 1HD2 LEU 23 115.935 75.668 47.216 182 2HD2 LEU 23 2HD2 LEU 23 114.185 75.726 47.006 183 3HD2 LEU 23 3HD2 LEU 23 114.912 76.281 48.514 184 H ARG 24 H ARG 24 118.531 71.533 47.606 185 HA ARG 24 HA ARG 24 120.796 73.390 47.388 186 1HB ARG 24 1HB ARG 24 120.188 70.667 48.377 187 2HB ARG 24 2HB ARG 24 121.833 70.890 47.783 188 1HG ARG 24 1HG ARG 24 121.126 73.182 49.347 189 2HG ARG 24 2HG ARG 24 120.748 71.733 50.281 190 1HD ARG 24 1HD ARG 24 123.199 71.075 49.204 191 2HD ARG 24 2HD ARG 24 123.376 72.816 49.508 192 HE ARG 24 HE ARG 24 123.123 70.777 51.552 193 1HH1 ARG 24 1HH2 ARG 24 124.340 73.623 51.657 194 2HH1 ARG 24 2HH2 ARG 24 123.311 74.355 52.843 195 1HH2 ARG 24 1HH1 ARG 24 120.897 71.872 52.665 196 2HH2 ARG 24 2HH1 ARG 24 121.362 73.362 53.415 197 H GLN 25 H GLN 25 119.985 70.256 45.828 198 HA GLN 25 HA GLN 25 122.042 70.346 43.857 199 1HB GLN 25 1HB GLN 25 119.669 68.818 44.547 200 2HB GLN 25 2HB GLN 25 119.832 68.968 42.796 201 1HG GLN 25 1HG GLN 25 122.174 68.190 44.535 202 2HG GLN 25 2HG GLN 25 121.040 66.986 43.920 203 1HE2 GLN 25 2HE2 GLN 25 123.674 69.122 43.038 204 2HE2 GLN 25 1HE2 GLN 25 123.775 68.644 41.412 205 H GLN 26 H GLN 26 118.645 71.428 43.719 206 HA GLN 26 HA GLN 26 117.550 72.842 42.170 207 1HB GLN 26 1HB GLN 26 120.054 73.898 43.003 208 2HB GLN 26 2HB GLN 26 119.895 74.265 41.286 209 1HG GLN 26 1HG GLN 26 117.439 74.954 41.974 210 2HG GLN 26 2HG GLN 26 118.161 75.129 43.574 211 1HE2 GLN 26 2HE2 GLN 26 119.444 76.983 43.958 212 2HE2 GLN 26 1HE2 GLN 26 119.829 78.128 42.766 213 HA PRO 27 HA PRO 27 119.490 70.393 38.639 214 1HB PRO 27 1HB PRO 27 117.483 68.567 38.300 215 2HB PRO 27 2HB PRO 27 118.866 68.293 39.379 216 1HG PRO 27 1HG PRO 27 116.091 69.146 40.036 217 2HG PRO 27 2HG PRO 27 117.171 68.045 40.906 218 1HD PRO 27 1HD PRO 27 116.739 70.630 41.656 219 2HD PRO 27 2HD PRO 27 118.241 69.747 41.997 220 HA PRO 28 HA PRO 28 116.954 72.661 35.838 221 1HB PRO 28 1HB PRO 28 117.369 71.288 33.505 222 2HB PRO 28 2HB PRO 28 118.588 72.355 34.231 223 1HG PRO 28 1HG PRO 28 118.368 69.386 34.338 224 2HG PRO 28 2HG PRO 28 119.804 70.405 34.149 225 1HD PRO 28 1HD PRO 28 119.116 69.251 36.507 226 2HD PRO 28 2HD PRO 28 119.988 70.796 36.403 227 H ASP 29 H ASP 29 116.453 69.262 36.355 228 HA ASP 29 HA ASP 29 113.603 69.581 35.498 229 1HB ASP 29 1HB ASP 29 115.679 67.552 34.706 230 2HB ASP 29 2HB ASP 29 113.977 67.092 34.725 231 H LEU 30 H LEU 30 112.376 69.165 37.295 232 HA LEU 30 HA LEU 30 113.467 67.684 39.579 233 1HB LEU 30 1HB LEU 30 112.007 69.698 39.743 234 2HB LEU 30 2HB LEU 30 110.696 68.784 38.996 235 HG LEU 30 HG LEU 30 111.156 67.063 40.918 236 1HD1 LEU 30 1HD1 LEU 30 112.854 69.349 41.616 237 2HD1 LEU 30 2HD1 LEU 30 111.747 68.896 42.912 238 3HD1 LEU 30 3HD1 LEU 30 112.869 67.705 42.254 239 1HD2 LEU 30 1HD2 LEU 30 109.685 69.667 40.973 240 2HD2 LEU 30 2HD2 LEU 30 109.054 68.021 41.033 241 3HD2 LEU 30 3HD2 LEU 30 109.774 68.742 42.472 242 H VAL 31 H VAL 31 111.071 67.125 37.016 243 HA VAL 31 HA VAL 31 109.835 64.766 37.944 244 HB VAL 31 HB VAL 31 110.743 65.453 35.126 245 1HG1 VAL 31 1HG1 VAL 31 109.668 63.130 35.849 246 2HG1 VAL 31 2HG1 VAL 31 108.176 64.069 35.809 247 3HG1 VAL 31 3HG1 VAL 31 109.170 63.932 34.359 248 1HG2 VAL 31 1HG2 VAL 31 108.883 66.751 36.946 249 2HG2 VAL 31 2HG2 VAL 31 109.416 67.270 35.347 250 3HG2 VAL 31 3HG2 VAL 31 108.050 66.166 35.506 251 H ASP 32 H ASP 32 112.519 64.823 35.582 252 HA ASP 32 HA ASP 32 113.229 62.094 35.785 253 1HB ASP 32 1HB ASP 32 113.965 64.291 34.349 254 2HB ASP 32 2HB ASP 32 115.385 64.089 35.379 255 H PHE 33 H PHE 33 114.405 64.915 37.630 256 HA PHE 33 HA PHE 33 116.428 63.634 39.152 257 1HB PHE 33 1HB PHE 33 116.065 66.056 39.060 258 2HB PHE 33 2HB PHE 33 114.490 65.870 39.833 259 HD1 PHE 33 HD1 PHE 33 117.946 64.509 40.490 260 HD2 PHE 33 HD2 PHE 33 114.498 66.580 42.060 261 HE1 PHE 33 HE1 PHE 33 119.030 64.613 42.732 262 HE2 PHE 33 HE2 PHE 33 115.583 66.684 44.302 263 HZ PHE 33 HZ PHE 33 117.849 65.700 44.638 264 H ALA 34 H ALA 34 112.966 64.112 39.929 265 HA ALA 34 HA ALA 34 112.846 62.845 42.431 266 1HB ALA 34 1HB ALA 34 111.114 63.859 40.479 267 2HB ALA 34 2HB ALA 34 110.608 62.180 40.677 268 3HB ALA 34 3HB ALA 34 110.646 63.260 42.071 269 H VAL 35 H VAL 35 112.926 61.388 39.196 270 HA VAL 35 HA VAL 35 112.380 58.685 40.080 271 HB VAL 35 HB VAL 35 113.679 59.843 37.592 272 1HG1 VAL 35 1HG1 VAL 35 112.682 57.114 38.345 273 2HG1 VAL 35 2HG1 VAL 35 112.601 57.646 36.666 274 3HG1 VAL 35 3HG1 VAL 35 114.158 57.562 37.491 275 1HG2 VAL 35 1HG2 VAL 35 110.864 59.522 38.534 276 2HG2 VAL 35 2HG2 VAL 35 111.569 60.776 37.514 277 3HG2 VAL 35 3HG2 VAL 35 111.189 59.194 36.832 278 H GLU 36 H GLU 36 115.379 60.300 38.940 279 HA GLU 36 HA GLU 36 117.173 58.167 39.435 280 1HB GLU 36 1HB GLU 36 117.533 61.177 39.608 281 2HB GLU 36 2HB GLU 36 118.854 60.015 39.467 282 1HG GLU 36 1HG GLU 36 116.961 59.390 37.435 283 2HG GLU 36 2HG GLU 36 117.240 61.132 37.376 284 H TYR 37 H TYR 37 115.614 60.360 41.662 285 HA TYR 37 HA TYR 37 117.489 59.934 43.864 286 1HB TYR 37 1HB TYR 37 116.159 61.977 43.607 287 2HB TYR 37 2HB TYR 37 114.668 61.039 43.686 288 HD1 TYR 37 HD1 TYR 37 117.848 60.888 45.696 289 HD2 TYR 37 HD2 TYR 37 113.577 61.525 45.707 290 HE1 TYR 37 HE1 TYR 37 117.878 61.050 48.183 291 HE2 TYR 37 HE2 TYR 37 113.608 61.687 48.194 292 HH TYR 37 HH TYR 37 116.003 60.609 50.083 293 H PHE 38 H PHE 38 113.994 59.167 43.694 294 HA PHE 38 HA PHE 38 113.983 57.253 45.781 295 1HB PHE 38 1HB PHE 38 112.296 57.814 43.348 296 2HB PHE 38 2HB PHE 38 111.894 56.467 44.412 297 HD1 PHE 38 HD1 PHE 38 112.482 57.376 47.083 298 HD2 PHE 38 HD2 PHE 38 110.836 59.604 43.771 299 HE1 PHE 38 HE1 PHE 38 111.403 58.956 48.681 300 HE2 PHE 38 HE2 PHE 38 109.758 61.184 45.369 301 HZ PHE 38 HZ PHE 38 110.042 60.860 47.825 302 H THR 39 H THR 39 114.321 56.738 42.253 303 HA THR 39 HA THR 39 114.405 53.926 42.197 304 HB THR 39 HB THR 39 115.967 55.987 40.609 305 HG1 THR 39 HG1 THR 39 114.121 56.342 39.710 306 1HG2 THR 39 1HG2 THR 39 116.851 53.671 40.373 307 2HG2 THR 39 2HG2 THR 39 115.241 53.133 39.894 308 3HG2 THR 39 3HG2 THR 39 116.128 54.272 38.879 309 H ARG 40 H ARG 40 117.167 56.180 42.626 310 HA ARG 40 HA ARG 40 119.169 54.158 42.939 311 1HB ARG 40 1HB ARG 40 118.806 57.056 43.371 312 2HB ARG 40 2HB ARG 40 120.042 56.322 44.391 313 1HG ARG 40 1HG ARG 40 121.404 55.816 42.617 314 2HG ARG 40 2HG ARG 40 120.049 55.527 41.526 315 1HD ARG 40 1HD ARG 40 120.021 57.694 40.807 316 2HD ARG 40 2HD ARG 40 120.296 58.330 42.442 317 HE ARG 40 HE ARG 40 122.713 57.526 42.121 318 1HH1 ARG 40 1HH1 ARG 40 121.836 56.455 39.320 319 2HH1 ARG 40 2HH1 ARG 40 122.575 57.647 38.305 320 1HH2 ARG 40 1HH2 ARG 40 123.157 59.876 40.897 321 2HH2 ARG 40 2HH2 ARG 40 123.324 59.584 39.197 322 H LEU 41 H LEU 41 116.994 55.728 45.267 323 HA LEU 41 HA LEU 41 118.145 54.920 47.702 324 1HB LEU 41 1HB LEU 41 115.620 55.853 46.656 325 2HB LEU 41 2HB LEU 41 115.334 54.634 47.900 326 HG LEU 41 HG LEU 41 116.953 55.883 49.379 327 1HD1 LEU 41 1HD1 LEU 41 117.570 57.200 47.007 328 2HD1 LEU 41 2HD1 LEU 41 116.624 58.387 47.907 329 3HD1 LEU 41 3HD1 LEU 41 118.078 57.692 48.623 330 1HD2 LEU 41 1HD2 LEU 41 114.375 57.076 48.383 331 2HD2 LEU 41 2HD2 LEU 41 114.702 56.272 49.918 332 3HD2 LEU 41 3HD2 LEU 41 115.307 57.904 49.631 333 H ARG 42 H ARG 42 115.931 53.072 45.576 334 HA ARG 42 HA ARG 42 115.501 50.794 47.130 335 1HB ARG 42 1HB ARG 42 114.692 51.550 44.780 336 2HB ARG 42 2HB ARG 42 116.126 50.715 44.180 337 1HG ARG 42 1HG ARG 42 115.190 48.697 44.499 338 2HG ARG 42 2HG ARG 42 114.691 49.119 46.134 339 1HD ARG 42 1HD ARG 42 112.789 50.464 45.067 340 2HD ARG 42 2HD ARG 42 113.198 49.637 43.552 341 HE ARG 42 HE ARG 42 112.666 47.507 44.624 342 1HH1 ARG 42 1HH1 ARG 42 113.214 49.075 47.376 343 2HH1 ARG 42 2HH1 ARG 42 111.665 48.836 48.110 344 1HH2 ARG 42 1HH2 ARG 42 110.154 47.735 45.192 345 2HH2 ARG 42 2HH2 ARG 42 109.934 48.077 46.876 346 H GLU 43 H GLU 43 118.275 51.480 44.971 347 HA GLU 43 HA GLU 43 119.641 49.012 45.259 348 1HB GLU 43 1HB GLU 43 120.057 51.640 44.212 349 2HB GLU 43 2HB GLU 43 121.485 51.202 45.152 350 1HG GLU 43 1HG GLU 43 121.829 49.209 43.876 351 2HG GLU 43 2HG GLU 43 120.243 49.344 43.114 352 H ALA 44 H ALA 44 119.458 51.812 47.396 353 HA ALA 44 HA ALA 44 121.527 50.718 49.216 354 1HB ALA 44 1HB ALA 44 120.406 53.253 48.537 355 2HB ALA 44 2HB ALA 44 120.075 52.967 50.249 356 3HB ALA 44 3HB ALA 44 121.735 52.926 49.650 357 H ARG 45 H ARG 45 118.300 52.087 49.847 358 HA ARG 45 HA ARG 45 117.822 50.830 52.292 359 1HB ARG 45 1HB ARG 45 116.052 51.764 50.031 360 2HB ARG 45 2HB ARG 45 115.365 51.150 51.536 361 1HG ARG 45 1HG ARG 45 117.487 53.289 51.578 362 2HG ARG 45 2HG ARG 45 115.790 53.709 51.338 363 1HD ARG 45 1HD ARG 45 115.538 52.044 53.462 364 2HD ARG 45 2HD ARG 45 117.154 52.707 53.782 365 HE ARG 45 HE ARG 45 115.187 54.724 52.983 366 1HH1 ARG 45 1HH1 ARG 45 117.659 54.639 54.961 367 2HH1 ARG 45 2HH1 ARG 45 116.845 55.059 56.432 368 1HH2 ARG 45 1HH2 ARG 45 113.672 54.540 55.134 369 2HH2 ARG 45 2HH2 ARG 45 114.589 55.003 56.529 370 H ARG 46 H ARG 46 117.207 48.758 52.888 371 HA ARG 46 HA ARG 46 117.470 46.550 51.101 372 1HB ARG 46 1HB ARG 46 116.482 45.310 53.028 373 2HB ARG 46 2HB ARG 46 117.731 46.445 53.542 374 1HG ARG 46 1HG ARG 46 116.248 47.780 54.645 375 2HG ARG 46 2HG ARG 46 114.996 47.564 53.421 376 1HD ARG 46 1HD ARG 46 114.169 46.459 55.386 377 2HD ARG 46 2HD ARG 46 114.763 45.156 54.336 378 HE ARG 46 HE ARG 46 116.775 46.281 56.164 379 1HH1 ARG 46 1HH2 ARG 46 114.436 45.002 57.686 380 2HH1 ARG 46 2HH2 ARG 46 115.032 43.390 57.898 381 1HH2 ARG 46 1HH1 ARG 46 117.531 43.715 55.515 382 2HH2 ARG 46 2HH1 ARG 46 116.784 42.661 56.669 383 1H HIS 1 1H HIS 1 105.668 92.241 58.516 384 2H HIS 1 2H HIS 1 104.502 93.456 58.326 385 3H HIS 1 3H HIS 1 104.170 92.109 59.306 386 HA HIS 1 HA HIS 1 104.120 90.646 57.423 387 1HB HIS 1 1HB HIS 1 102.616 93.265 57.115 388 2HB HIS 1 2HB HIS 1 102.191 91.778 56.267 389 HD1 HIS 1 HD1 HIS 1 101.815 89.633 57.989 390 HD2 HIS 1 HD2 HIS 1 101.394 93.462 59.582 391 HE1 HIS 1 HE1 HIS 1 100.520 89.371 60.151 392 H MET 2 H MET 2 106.178 90.620 56.279 393 HA MET 2 HA MET 2 106.411 92.626 54.064 394 1HB MET 2 1HB MET 2 108.231 92.482 55.770 395 2HB MET 2 2HB MET 2 108.480 90.795 55.322 396 1HG MET 2 1HG MET 2 109.713 91.382 53.530 397 2HG MET 2 2HG MET 2 108.454 92.479 52.963 398 1HE MET 2 1HE MET 2 110.790 93.580 52.034 399 2HE MET 2 2HE MET 2 109.371 94.614 52.257 400 3HE MET 2 3HE MET 2 110.966 95.183 52.743 401 H GLY 3 H GLY 3 106.896 89.153 54.802 402 1HA GLY 3 1HA GLY 3 106.351 87.293 53.442 403 2HA GLY 3 2HA GLY 3 105.748 88.408 52.216 404 H HIS 4 H HIS 4 108.163 86.221 52.839 405 HA HIS 4 HA HIS 4 109.773 87.247 50.569 406 1HB HIS 4 1HB HIS 4 110.586 88.207 52.791 407 2HB HIS 4 2HB HIS 4 111.024 86.558 53.239 408 HD1 HIS 4 HD1 HIS 4 111.641 88.926 50.303 409 HD2 HIS 4 HD2 HIS 4 113.573 85.901 52.421 410 HE1 HIS 4 HE1 HIS 4 113.968 88.741 49.323 411 H ILE 5 H ILE 5 109.034 85.303 49.498 412 HA ILE 5 HA ILE 5 110.142 82.758 50.639 413 HB ILE 5 HB ILE 5 107.672 82.931 50.501 414 1HG1 ILE 5 1HG1 ILE 5 107.358 80.923 48.911 415 2HG1 ILE 5 2HG1 ILE 5 109.100 81.025 48.642 416 1HG2 ILE 5 1HG2 ILE 5 108.240 83.361 47.554 417 2HG2 ILE 5 2HG2 ILE 5 106.643 83.013 48.217 418 3HG2 ILE 5 3HG2 ILE 5 107.474 84.504 48.657 419 1HD1 ILE 5 1HD1 ILE 5 107.907 80.888 51.416 420 2HD1 ILE 5 2HD1 ILE 5 108.335 79.441 50.505 421 3HD1 ILE 5 3HD1 ILE 5 109.581 80.610 50.939 422 H GLN 6 H GLN 6 111.456 81.522 49.281 423 HA GLN 6 HA GLN 6 111.912 82.572 46.506 424 1HB GLN 6 1HB GLN 6 113.621 82.939 48.511 425 2HB GLN 6 2HB GLN 6 114.078 81.279 48.127 426 1HG GLN 6 1HG GLN 6 114.153 82.142 45.657 427 2HG GLN 6 2HG GLN 6 114.272 83.737 46.403 428 1HE2 GLN 6 1HE2 GLN 6 116.055 80.877 45.606 429 2HE2 GLN 6 2HE2 GLN 6 117.502 81.304 46.385 430 H ILE 7 H ILE 7 110.138 80.676 46.405 431 HA ILE 7 HA ILE 7 111.645 78.159 45.807 432 HB ILE 7 HB ILE 7 109.810 76.907 46.826 433 1HG1 ILE 7 1HG1 ILE 7 108.151 78.463 48.180 434 2HG1 ILE 7 2HG1 ILE 7 108.577 79.639 46.935 435 1HG2 ILE 7 1HG2 ILE 7 111.715 78.019 48.213 436 2HG2 ILE 7 2HG2 ILE 7 110.445 79.096 48.795 437 3HG2 ILE 7 3HG2 ILE 7 110.325 77.359 49.074 438 1HD1 ILE 7 1HD1 ILE 7 108.143 77.249 45.541 439 2HD1 ILE 7 2HD1 ILE 7 106.848 77.313 46.739 440 3HD1 ILE 7 3HD1 ILE 7 107.061 78.642 45.600 441 HA PRO 8 HA PRO 8 109.521 78.402 41.964 442 1HB PRO 8 1HB PRO 8 109.518 75.770 41.233 443 2HB PRO 8 2HB PRO 8 110.972 76.787 41.178 444 1HG PRO 8 1HG PRO 8 110.136 74.792 43.217 445 2HG PRO 8 2HG PRO 8 111.745 75.135 42.568 446 1HD PRO 8 1HD PRO 8 110.884 76.021 44.996 447 2HD PRO 8 2HD PRO 8 112.105 76.867 44.017 448 HA PRO 9 HA PRO 9 105.392 77.410 43.416 449 1HB PRO 9 1HB PRO 9 104.024 78.593 41.364 450 2HB PRO 9 2HB PRO 9 104.740 79.511 42.703 451 1HG PRO 9 1HG PRO 9 105.746 79.106 39.933 452 2HG PRO 9 2HG PRO 9 105.818 80.545 40.962 453 1HD PRO 9 1HD PRO 9 107.932 78.858 40.553 454 2HD PRO 9 2HD PRO 9 107.730 79.859 42.007 455 H GLY 10 H GLY 10 103.612 76.031 42.629 456 1HA GLY 10 1HA GLY 10 102.621 74.531 41.017 457 2HA GLY 10 2HA GLY 10 104.112 74.599 40.077 458 H LEU 11 H LEU 11 105.842 74.159 42.407 459 HA LEU 11 HA LEU 11 106.011 71.305 42.358 460 1HB LEU 11 1HB LEU 11 107.671 73.270 42.986 461 2HB LEU 11 2HB LEU 11 107.072 72.974 44.618 462 HG LEU 11 HG LEU 11 107.724 70.500 43.197 463 1HD1 LEU 11 1HD1 LEU 11 109.746 72.706 43.427 464 2HD1 LEU 11 2HD1 LEU 11 110.264 71.038 43.667 465 3HD1 LEU 11 3HD1 LEU 11 109.530 71.523 42.138 466 1HD2 LEU 11 1HD2 LEU 11 107.354 71.169 45.754 467 2HD2 LEU 11 2HD2 LEU 11 108.449 69.862 45.304 468 3HD2 LEU 11 3HD2 LEU 11 109.091 71.460 45.681 469 H THR 12 H THR 12 104.542 73.553 44.696 470 HA THR 12 HA THR 12 103.964 71.788 46.811 471 HB THR 12 HB THR 12 102.196 73.986 45.696 472 HG1 THR 12 HG1 THR 12 103.493 75.333 47.016 473 1HG2 THR 12 1HG2 THR 12 101.307 72.562 47.575 474 2HG2 THR 12 2HG2 THR 12 102.668 73.107 48.554 475 3HG2 THR 12 3HG2 THR 12 101.473 74.270 47.981 476 H GLU 13 H GLU 13 102.080 72.404 43.846 477 HA GLU 13 HA GLU 13 99.885 70.667 44.502 478 1HB GLU 13 1HB GLU 13 100.315 72.547 42.676 479 2HB GLU 13 2HB GLU 13 100.796 71.166 41.690 480 1HG GLU 13 1HG GLU 13 98.465 71.437 41.286 481 2HG GLU 13 2HG GLU 13 98.587 70.080 42.406 482 H LEU 14 H LEU 14 103.080 70.081 43.183 483 HA LEU 14 HA LEU 14 102.529 67.484 42.025 484 1HB LEU 14 1HB LEU 14 104.475 69.177 41.682 485 2HB LEU 14 2HB LEU 14 105.175 68.435 43.121 486 HG LEU 14 HG LEU 14 104.550 66.199 41.766 487 1HD1 LEU 14 1HD1 LEU 14 104.975 68.368 39.697 488 2HD1 LEU 14 2HD1 LEU 14 105.218 66.656 39.351 489 3HD1 LEU 14 3HD1 LEU 14 103.622 67.244 39.817 490 1HD2 LEU 14 1HD2 LEU 14 106.955 67.970 41.816 491 2HD2 LEU 14 2HD2 LEU 14 106.764 66.320 42.411 492 3HD2 LEU 14 3HD2 LEU 14 106.970 66.616 40.685 493 H LEU 15 H LEU 15 104.146 68.454 45.083 494 HA LEU 15 HA LEU 15 104.451 65.826 46.141 495 1HB LEU 15 1HB LEU 15 104.046 68.508 47.510 496 2HB LEU 15 2HB LEU 15 104.712 67.069 48.282 497 HG LEU 15 HG LEU 15 105.904 68.527 45.902 498 1HD1 LEU 15 1HD1 LEU 15 106.249 68.712 48.809 499 2HD1 LEU 15 2HD1 LEU 15 107.763 68.422 47.952 500 3HD1 LEU 15 3HD1 LEU 15 106.772 69.823 47.543 501 1HD2 LEU 15 1HD2 LEU 15 106.796 66.054 47.419 502 2HD2 LEU 15 2HD2 LEU 15 106.321 66.134 45.723 503 3HD2 LEU 15 3HD2 LEU 15 107.804 66.924 46.260 504 H GLN 16 H GLN 16 101.808 68.202 46.558 505 HA GLN 16 HA GLN 16 100.200 66.795 48.401 506 1HB GLN 16 1HB GLN 16 100.060 69.045 46.706 507 2HB GLN 16 2HB GLN 16 98.660 68.057 46.283 508 1HG GLN 16 1HG GLN 16 98.363 67.860 48.887 509 2HG GLN 16 2HG GLN 16 99.358 69.316 48.919 510 1HE2 GLN 16 2HE2 GLN 16 97.557 70.685 49.588 511 2HE2 GLN 16 1HE2 GLN 16 96.290 71.064 48.525 512 H GLY 17 H GLY 17 100.468 66.415 44.869 513 1HA GLY 17 1HA GLY 17 98.317 64.619 44.463 514 2HA GLY 17 2HA GLY 17 99.786 64.643 43.483 515 H TYR 18 H TYR 18 101.770 63.802 45.006 516 HA TYR 18 HA TYR 18 101.642 61.040 45.235 517 1HB TYR 18 1HB TYR 18 103.506 62.921 45.575 518 2HB TYR 18 2HB TYR 18 103.162 62.616 47.279 519 HD1 TYR 18 HD1 TYR 18 103.207 60.351 44.292 520 HD2 TYR 18 HD2 TYR 18 104.885 61.282 48.155 521 HE1 TYR 18 HE1 TYR 18 104.584 58.268 44.195 522 HE2 TYR 18 HE2 TYR 18 106.263 59.207 48.065 523 HH TYR 18 HH TYR 18 105.741 56.755 45.678 524 H THR 19 H THR 19 100.815 63.435 47.733 525 HA THR 19 HA THR 19 100.344 61.622 49.887 526 HB THR 19 HB THR 19 98.967 64.254 49.267 527 HG1 THR 19 HG1 THR 19 101.535 63.666 50.298 528 1HG2 THR 19 1HG2 THR 19 99.739 62.915 51.873 529 2HG2 THR 19 2HG2 THR 19 98.977 64.498 51.719 530 3HG2 THR 19 3HG2 THR 19 98.102 63.046 51.229 531 H VAL 20 H VAL 20 98.248 62.779 47.261 532 HA VAL 20 HA VAL 20 95.849 61.486 48.326 533 HB VAL 20 HB VAL 20 96.530 62.667 45.613 534 1HG1 VAL 20 1HG1 VAL 20 94.139 61.384 46.719 535 2HG1 VAL 20 2HG1 VAL 20 93.824 63.011 46.115 536 3HG1 VAL 20 3HG1 VAL 20 94.520 61.793 45.047 537 1HG2 VAL 20 1HG2 VAL 20 96.710 64.106 47.776 538 2HG2 VAL 20 2HG2 VAL 20 95.756 64.738 46.434 539 3HG2 VAL 20 3HG2 VAL 20 94.951 63.991 47.815 540 H GLU 21 H GLU 21 98.483 60.560 46.210 541 HA GLU 21 HA GLU 21 96.993 58.273 45.064 542 1HB GLU 21 1HB GLU 21 99.962 58.485 44.833 543 2HB GLU 21 2HB GLU 21 98.773 58.098 43.596 544 1HG GLU 21 1HG GLU 21 98.127 60.690 44.091 545 2HG GLU 21 2HG GLU 21 99.858 60.721 44.428 546 H VAL 22 H VAL 22 99.920 58.721 47.039 547 HA VAL 22 HA VAL 22 100.415 56.041 47.727 548 HB VAL 22 HB VAL 22 100.763 58.616 49.298 549 1HG1 VAL 22 1HG1 VAL 22 101.714 55.807 49.719 550 2HG1 VAL 22 2HG1 VAL 22 102.762 57.147 50.184 551 3HG1 VAL 22 3HG1 VAL 22 101.160 56.988 50.906 552 1HG2 VAL 22 1HG2 VAL 22 101.800 58.398 46.962 553 2HG2 VAL 22 2HG2 VAL 22 102.923 58.745 48.276 554 3HG2 VAL 22 3HG2 VAL 22 102.794 57.107 47.635 555 H LEU 23 H LEU 23 98.088 58.333 49.119 556 HA LEU 23 HA LEU 23 97.380 56.587 51.355 557 1HB LEU 23 1HB LEU 23 96.582 59.205 50.187 558 2HB LEU 23 2HB LEU 23 95.369 58.385 51.169 559 HG LEU 23 HG LEU 23 98.218 58.832 52.091 560 1HD1 LEU 23 1HD1 LEU 23 96.861 60.960 51.648 561 2HD1 LEU 23 2HD1 LEU 23 95.789 60.419 52.940 562 3HD1 LEU 23 3HD1 LEU 23 97.485 60.759 53.285 563 1HD2 LEU 23 1HD2 LEU 23 96.244 57.135 53.021 564 2HD2 LEU 23 2HD2 LEU 23 97.590 57.746 53.983 565 3HD2 LEU 23 3HD2 LEU 23 96.028 58.563 54.033 566 H ARG 24 H ARG 24 96.059 57.293 48.127 567 HA ARG 24 HA ARG 24 93.690 55.610 48.547 568 1HB ARG 24 1HB ARG 24 94.859 57.405 46.502 569 2HB ARG 24 2HB ARG 24 93.881 56.086 45.859 570 1HG ARG 24 1HG ARG 24 92.529 57.180 48.133 571 2HG ARG 24 2HG ARG 24 92.978 58.508 47.063 572 1HD ARG 24 1HD ARG 24 92.073 56.626 45.264 573 2HD ARG 24 2HD ARG 24 90.990 56.376 46.648 574 HE ARG 24 HE ARG 24 91.044 58.739 44.972 575 1HH1 ARG 24 1HH2 ARG 24 88.808 57.567 46.773 576 2HH1 ARG 24 2HH2 ARG 24 88.597 58.876 47.889 577 1HH2 ARG 24 1HH1 ARG 24 91.567 60.442 47.024 578 2HH2 ARG 24 2HH1 ARG 24 90.160 60.502 48.032 579 H GLN 25 H GLN 25 96.519 55.421 46.339 580 HA GLN 25 HA GLN 25 96.018 52.771 45.417 581 1HB GLN 25 1HB GLN 25 98.069 54.826 45.316 582 2HB GLN 25 2HB GLN 25 98.794 53.222 45.417 583 1HG GLN 25 1HG GLN 25 96.553 53.820 43.483 584 2HG GLN 25 2HG GLN 25 98.240 54.113 43.060 585 1HE2 GLN 25 2HE2 GLN 25 95.825 51.622 43.553 586 2HE2 GLN 25 1HE2 GLN 25 96.816 50.308 43.140 587 H GLN 26 H GLN 26 98.047 53.948 48.105 588 HA GLN 26 HA GLN 26 98.996 52.781 49.931 589 1HB GLN 26 1HB GLN 26 96.273 52.085 49.515 590 2HB GLN 26 2HB GLN 26 97.111 50.600 49.964 591 1HG GLN 26 1HG GLN 26 98.214 52.142 51.802 592 2HG GLN 26 2HG GLN 26 96.784 53.137 51.528 593 1HE2 GLN 26 2HE2 GLN 26 94.808 52.420 52.434 594 2HE2 GLN 26 1HE2 GLN 26 94.626 50.945 53.254 595 HA PRO 27 HA PRO 27 100.549 49.476 46.953 596 1HB PRO 27 1HB PRO 27 103.010 50.556 46.438 597 2HB PRO 27 2HB PRO 27 101.575 50.907 45.453 598 1HG PRO 27 1HG PRO 27 102.847 52.538 47.592 599 2HG PRO 27 2HG PRO 27 102.115 53.051 46.063 600 1HD PRO 27 1HD PRO 27 100.860 53.258 48.477 601 2HD PRO 27 2HD PRO 27 100.000 53.075 46.934 602 HA PRO 28 HA PRO 28 102.801 47.694 50.295 603 1HB PRO 28 1HB PRO 28 104.344 45.851 48.983 604 2HB PRO 28 2HB PRO 28 102.598 45.648 49.237 605 1HG PRO 28 1HG PRO 28 104.062 46.577 46.813 606 2HG PRO 28 2HG PRO 28 102.662 45.500 46.941 607 1HD PRO 28 1HD PRO 28 102.448 48.110 46.238 608 2HD PRO 28 2HD PRO 28 101.171 47.238 47.114 609 H ASP 29 H ASP 29 104.450 49.204 47.633 610 HA ASP 29 HA ASP 29 106.806 49.703 49.410 611 1HB ASP 29 1HB ASP 29 106.646 48.573 46.627 612 2HB ASP 29 2HB ASP 29 108.075 49.484 47.114 613 H LEU 30 H LEU 30 106.943 51.904 49.634 614 HA LEU 30 HA LEU 30 105.648 53.716 47.724 615 1HB LEU 30 1HB LEU 30 105.690 54.033 50.197 616 2HB LEU 30 2HB LEU 30 107.443 54.222 50.122 617 HG LEU 30 HG LEU 30 106.899 56.075 48.349 618 1HD1 LEU 30 1HD1 LEU 30 104.268 55.332 49.403 619 2HD1 LEU 30 2HD1 LEU 30 104.602 57.058 49.547 620 3HD1 LEU 30 3HD1 LEU 30 104.676 56.274 47.969 621 1HD2 LEU 30 1HD2 LEU 30 106.743 56.158 51.334 622 2HD2 LEU 30 2HD2 LEU 30 107.921 56.903 50.252 623 3HD2 LEU 30 3HD2 LEU 30 106.323 57.624 50.448 624 H VAL 31 H VAL 31 108.964 52.766 48.575 625 HA VAL 31 HA VAL 31 110.452 54.704 47.170 626 HB VAL 31 HB VAL 31 110.949 51.714 47.378 627 1HG1 VAL 31 1HG1 VAL 31 112.410 53.394 45.926 628 2HG1 VAL 31 2HG1 VAL 31 113.079 53.817 47.502 629 3HG1 VAL 31 3HG1 VAL 31 113.177 52.155 46.919 630 1HG2 VAL 31 1HG2 VAL 31 110.750 53.803 49.392 631 2HG2 VAL 31 2HG2 VAL 31 110.959 52.065 49.611 632 3HG2 VAL 31 3HG2 VAL 31 112.368 53.099 49.370 633 H ASP 32 H ASP 32 109.721 51.443 45.903 634 HA ASP 32 HA ASP 32 110.349 51.960 43.196 635 1HB ASP 32 1HB ASP 32 109.561 49.857 44.740 636 2HB ASP 32 2HB ASP 32 108.091 50.135 43.801 637 H PHE 33 H PHE 33 107.250 52.305 44.939 638 HA PHE 33 HA PHE 33 105.588 52.988 42.741 639 1HB PHE 33 1HB PHE 33 104.785 52.481 44.999 640 2HB PHE 33 2HB PHE 33 105.603 53.907 45.636 641 HD1 PHE 33 HD1 PHE 33 103.395 53.213 42.662 642 HD2 PHE 33 HD2 PHE 33 104.118 55.635 46.162 643 HE1 PHE 33 HE1 PHE 33 101.398 54.601 42.114 644 HE2 PHE 33 HE2 PHE 33 102.120 57.023 45.615 645 HZ PHE 33 HZ PHE 33 100.760 56.505 43.590 646 H ALA 34 H ALA 34 107.464 55.121 44.919 647 HA ALA 34 HA ALA 34 106.826 57.625 43.819 648 1HB ALA 34 1HB ALA 34 108.627 56.504 45.646 649 2HB ALA 34 2HB ALA 34 109.655 57.320 44.467 650 3HB ALA 34 3HB ALA 34 108.409 58.226 45.327 651 H VAL 35 H VAL 35 109.114 55.184 42.637 652 HA VAL 35 HA VAL 35 110.287 56.855 40.584 653 HB VAL 35 HB VAL 35 110.114 53.852 40.985 654 1HG1 VAL 35 1HG1 VAL 35 111.688 55.619 39.139 655 2HG1 VAL 35 2HG1 VAL 35 112.375 54.092 39.691 656 3HG1 VAL 35 3HG1 VAL 35 110.861 54.102 38.789 657 1HG2 VAL 35 1HG2 VAL 35 111.804 56.030 42.131 658 2HG2 VAL 35 2HG2 VAL 35 111.254 54.528 42.874 659 3HG2 VAL 35 3HG2 VAL 35 112.604 54.509 41.740 660 H GLU 36 H GLU 36 107.978 54.108 40.445 661 HA GLU 36 HA GLU 36 107.403 54.232 37.676 662 1HB GLU 36 1HB GLU 36 105.675 53.475 40.056 663 2HB GLU 36 2HB GLU 36 105.327 53.034 38.384 664 1HG GLU 36 1HG GLU 36 108.034 52.320 38.897 665 2HG GLU 36 2HG GLU 36 107.066 51.715 40.242 666 H TYR 37 H TYR 37 106.363 56.311 40.284 667 HA TYR 37 HA TYR 37 104.062 57.435 38.877 668 1HB TYR 37 1HB TYR 37 104.222 57.321 41.321 669 2HB TYR 37 2HB TYR 37 105.684 58.306 41.291 670 HD1 TYR 37 HD1 TYR 37 102.413 58.595 39.450 671 HD2 TYR 37 HD2 TYR 37 105.198 60.414 42.203 672 HE1 TYR 37 HE1 TYR 37 101.023 60.665 39.490 673 HE2 TYR 37 HE2 TYR 37 103.808 62.481 42.244 674 HH TYR 37 HH TYR 37 101.594 63.259 40.023 675 H PHE 38 H PHE 38 107.026 59.081 40.037 676 HA PHE 38 HA PHE 38 106.822 61.339 38.341 677 1HB PHE 38 1HB PHE 38 109.048 59.900 39.773 678 2HB PHE 38 2HB PHE 38 109.399 61.325 38.795 679 HD1 PHE 38 HD1 PHE 38 107.168 63.108 39.180 680 HD2 PHE 38 HD2 PHE 38 109.062 60.490 42.044 681 HE1 PHE 38 HE1 PHE 38 106.391 64.577 41.039 682 HE2 PHE 38 HE2 PHE 38 108.284 61.959 43.902 683 HZ PHE 38 HZ PHE 38 106.948 64.003 43.399 684 H THR 39 H THR 39 108.650 58.301 37.840 685 HA THR 39 HA THR 39 109.903 58.904 35.397 686 HB THR 39 HB THR 39 108.658 56.324 36.399 687 HG1 THR 39 HG1 THR 39 110.295 56.315 37.689 688 1HG2 THR 39 1HG2 THR 39 109.204 56.287 33.969 689 2HG2 THR 39 2HG2 THR 39 110.861 56.750 34.360 690 3HG2 THR 39 3HG2 THR 39 110.227 55.197 34.906 691 H ARG 40 H ARG 40 106.659 57.441 35.873 692 HA ARG 40 HA ARG 40 105.973 57.289 33.100 693 1HB ARG 40 1HB ARG 40 104.686 57.119 35.752 694 2HB ARG 40 2HB ARG 40 103.599 57.599 34.448 695 1HG ARG 40 1HG ARG 40 103.772 55.583 33.373 696 2HG ARG 40 2HG ARG 40 105.449 55.345 33.864 697 1HD ARG 40 1HD ARG 40 104.850 54.214 35.755 698 2HD ARG 40 2HD ARG 40 103.510 55.326 36.100 699 HE ARG 40 HE ARG 40 102.304 54.139 34.168 700 1HH1 ARG 40 1HH1 ARG 40 104.885 52.415 33.801 701 2HH1 ARG 40 2HH1 ARG 40 104.331 50.914 34.467 702 1HH2 ARG 40 1HH2 ARG 40 101.546 52.312 35.990 703 2HH2 ARG 40 2HH2 ARG 40 102.441 50.856 35.706 704 H LEU 41 H LEU 41 105.611 59.889 35.495 705 HA LEU 41 HA LEU 41 103.886 61.638 34.126 706 1HB LEU 41 1HB LEU 41 105.825 61.678 36.266 707 2HB LEU 41 2HB LEU 41 105.941 63.170 35.331 708 HG LEU 41 HG LEU 41 103.432 63.382 35.513 709 1HD1 LEU 41 1HD1 LEU 41 103.619 60.750 36.398 710 2HD1 LEU 41 2HD1 LEU 41 103.293 61.661 37.873 711 3HD1 LEU 41 3HD1 LEU 41 102.187 61.775 36.503 712 1HD2 LEU 41 1HD2 LEU 41 105.265 63.421 37.903 713 2HD2 LEU 41 2HD2 LEU 41 104.600 64.780 36.995 714 3HD2 LEU 41 3HD2 LEU 41 103.566 63.856 38.085 715 H ARG 42 H ARG 42 107.433 61.294 33.765 716 HA ARG 42 HA ARG 42 107.976 63.380 31.993 717 1HB ARG 42 1HB ARG 42 109.438 61.562 33.135 718 2HB ARG 42 2HB ARG 42 109.100 60.596 31.698 719 1HG ARG 42 1HG ARG 42 110.530 61.798 30.447 720 2HG ARG 42 2HG ARG 42 109.844 63.318 31.015 721 1HD ARG 42 1HD ARG 42 111.155 62.951 33.184 722 2HD ARG 42 2HD ARG 42 112.026 61.672 32.315 723 HE ARG 42 HE ARG 42 112.828 63.355 30.734 724 1HH1 ARG 42 1HH1 ARG 42 110.285 65.067 31.699 725 2HH1 ARG 42 2HH1 ARG 42 111.130 66.464 32.274 726 1HH2 ARG 42 1HH2 ARG 42 114.242 64.939 32.210 727 2HH2 ARG 42 2HH2 ARG 42 113.368 66.392 32.562 728 H GLU 43 H GLU 43 106.789 60.094 31.209 729 HA GLU 43 HA GLU 43 106.781 60.322 28.383 730 1HB GLU 43 1HB GLU 43 105.816 58.593 30.449 731 2HB GLU 43 2HB GLU 43 104.503 58.848 29.298 732 1HG GLU 43 1HG GLU 43 105.832 58.086 27.465 733 2HG GLU 43 2HG GLU 43 107.309 58.134 28.428 734 H ALA 44 H ALA 44 104.518 61.537 30.800 735 HA ALA 44 HA ALA 44 102.581 62.414 28.734 736 1HB ALA 44 1HB ALA 44 102.584 61.723 31.502 737 2HB ALA 44 2HB ALA 44 102.065 63.407 31.377 738 3HB ALA 44 3HB ALA 44 101.195 62.146 30.499 739 H ARG 45 H ARG 45 103.956 64.095 31.558 740 HA ARG 45 HA ARG 45 103.605 66.712 30.653 741 1HB ARG 45 1HB ARG 45 105.630 65.363 32.440 742 2HB ARG 45 2HB ARG 45 105.626 67.114 32.224 743 1HG ARG 45 1HG ARG 45 103.095 65.649 32.953 744 2HG ARG 45 2HG ARG 45 104.253 66.124 34.196 745 1HD ARG 45 1HD ARG 45 104.086 68.461 32.835 746 2HD ARG 45 2HD ARG 45 102.453 67.825 32.553 747 HE ARG 45 HE ARG 45 103.362 67.551 35.323 748 1HH1 ARG 45 1HH1 ARG 45 100.589 68.126 33.904 749 2HH1 ARG 45 2HH1 ARG 45 100.219 69.650 34.639 750 1HH2 ARG 45 1HH2 ARG 45 103.424 70.129 35.875 751 2HH2 ARG 45 2HH2 ARG 45 101.825 70.785 35.756 752 H ARG 46 H ARG 46 104.688 68.012 29.181 753 HA ARG 46 HA ARG 46 106.436 66.907 27.216 754 1HB ARG 46 1HB ARG 46 106.712 69.309 26.603 755 2HB ARG 46 2HB ARG 46 105.026 68.895 26.910 756 1HG ARG 46 1HG ARG 46 104.911 70.192 28.782 757 2HG ARG 46 2HG ARG 46 106.548 69.774 29.288 758 1HD ARG 46 1HD ARG 46 106.629 72.103 28.707 759 2HD ARG 46 2HD ARG 46 107.345 71.255 27.322 760 HE ARG 46 HE ARG 46 104.430 71.611 27.175 761 1HH1 ARG 46 1HH2 ARG 46 105.908 74.300 27.248 762 2HH1 ARG 46 2HH2 ARG 46 106.107 74.605 25.555 763 1HH2 ARG 46 1HH1 ARG 46 105.397 71.345 24.614 764 2HH2 ARG 46 2HH1 ARG 46 105.816 72.933 24.064
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