NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1355 | 1aj4 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H ALA 2 HT2 ALA 2 52.526 8.237 -2.355 2 2H ALA 2 HT1 ALA 2 54.112 8.683 -2.777 3 3H ALA 2 HT3 ALA 2 52.803 9.650 -3.259 4 HA ALA 2 HA ALA 2 52.141 8.205 -4.917 5 1HB ALA 2 HB3 ALA 2 55.142 7.960 -4.524 6 2HB ALA 2 HB2 ALA 2 54.306 7.608 -6.036 7 3HB ALA 2 HB1 ALA 2 54.302 9.248 -5.387 8 H ASP 3 HN ASP 3 53.408 5.894 -5.897 9 HA ASP 3 HA ASP 3 52.289 3.852 -4.096 10 1HB ASP 3 HB2 ASP 3 52.828 4.246 -6.885 11 2HB ASP 3 HB1 ASP 3 53.639 2.767 -6.368 12 H ILE 4 HN ILE 4 53.553 2.021 -3.332 13 HA ILE 4 HA ILE 4 56.468 2.655 -3.010 14 HB ILE 4 HB ILE 4 54.697 0.919 -1.269 15 1HG1 ILE 4 HG12 ILE 4 55.303 3.885 -1.044 16 2HG1 ILE 4 HG11 ILE 4 53.724 3.166 -1.357 17 1HG2 ILE 4 HG23 ILE 4 57.456 1.342 -1.333 18 2HG2 ILE 4 HG22 ILE 4 56.890 2.398 -0.039 19 3HG2 ILE 4 HG21 ILE 4 56.538 0.670 0.015 20 1HD1 ILE 4 HD12 ILE 4 55.118 2.143 1.043 21 2HD1 ILE 4 HD11 ILE 4 54.611 3.829 1.131 22 3HD1 ILE 4 HD13 ILE 4 53.421 2.564 0.821 23 H TYR 5 HN TYR 5 54.283 -0.195 -2.975 24 HA TYR 5 HA TYR 5 56.450 -1.952 -3.898 25 1HB TYR 5 HB2 TYR 5 53.486 -2.514 -3.618 26 2HB TYR 5 HB1 TYR 5 54.812 -3.673 -3.522 27 HD1 TYR 5 HD2 TYR 5 56.410 -3.586 -1.590 28 HD2 TYR 5 HD1 TYR 5 52.843 -1.197 -1.725 29 HE1 TYR 5 HE2 TYR 5 56.583 -3.189 0.852 30 HE2 TYR 5 HE1 TYR 5 53.016 -0.800 0.717 31 HH TYR 5 HH TYR 5 54.705 -2.573 2.750 32 H LYS 6 HN LYS 6 53.273 -0.909 -5.198 33 HA LYS 6 HA LYS 6 53.264 -2.170 -7.674 34 1HB LYS 6 HB2 LYS 6 51.894 -0.134 -6.374 35 2HB LYS 6 HB1 LYS 6 52.536 0.669 -7.808 36 1HG LYS 6 HG2 LYS 6 50.943 -1.912 -7.811 37 2HG LYS 6 HG1 LYS 6 50.317 -0.325 -8.261 38 1HD LYS 6 HD2 LYS 6 51.608 -0.222 -10.211 39 2HD LYS 6 HD1 LYS 6 52.771 -1.409 -9.620 40 1HE LYS 6 HE2 LYS 6 51.249 -3.223 -9.971 41 2HE LYS 6 HE1 LYS 6 49.880 -2.118 -10.206 42 1HZ LYS 6 HZ1 LYS 6 51.218 -1.132 -12.078 43 2HZ LYS 6 HZ3 LYS 6 52.252 -2.471 -11.951 44 3HZ LYS 6 HZ2 LYS 6 50.618 -2.697 -12.358 45 H ALA 7 HN ALA 7 55.119 0.717 -6.736 46 HA ALA 7 HA ALA 7 56.081 1.434 -9.330 47 1HB ALA 7 HB1 ALA 7 56.149 2.688 -7.094 48 2HB ALA 7 HB3 ALA 7 57.555 1.699 -6.699 49 3HB ALA 7 HB2 ALA 7 57.607 2.793 -8.081 50 H ALA 8 HN ALA 8 57.191 -0.957 -6.968 51 HA ALA 8 HA ALA 8 59.673 -1.538 -8.417 52 1HB ALA 8 HB2 ALA 8 58.165 -2.778 -6.102 53 2HB ALA 8 HB1 ALA 8 59.711 -3.402 -6.678 54 3HB ALA 8 HB3 ALA 8 59.609 -1.768 -6.023 55 H VAL 9 HN VAL 9 56.423 -2.937 -8.159 56 HA VAL 9 HA VAL 9 57.092 -5.343 -9.674 57 HB VAL 9 HB VAL 9 54.501 -4.013 -8.826 58 1HG1 VAL 9 HG11 VAL 9 54.685 -5.812 -10.843 59 2HG1 VAL 9 HG13 VAL 9 54.606 -6.911 -9.466 60 3HG1 VAL 9 HG12 VAL 9 53.312 -5.744 -9.738 61 1HG2 VAL 9 HG23 VAL 9 56.499 -5.530 -7.439 62 2HG2 VAL 9 HG22 VAL 9 54.974 -4.905 -6.812 63 3HG2 VAL 9 HG21 VAL 9 55.035 -6.509 -7.543 64 H GLU 10 HN GLU 10 55.637 -2.182 -10.410 65 HA GLU 10 HA GLU 10 54.608 -2.721 -12.990 66 1HB GLU 10 HB2 GLU 10 54.599 -0.353 -13.207 67 2HB GLU 10 HB1 GLU 10 54.492 -0.633 -11.470 68 1HG GLU 10 HG2 GLU 10 56.986 -0.389 -11.338 69 2HG GLU 10 HG1 GLU 10 56.987 0.064 -13.043 70 H GLN 11 HN GLN 11 57.883 -2.666 -11.913 71 HA GLN 11 HA GLN 11 58.949 -2.247 -14.660 72 1HB GLN 11 HB2 GLN 11 60.205 -2.534 -11.912 73 2HB GLN 11 HB1 GLN 11 61.121 -2.243 -13.391 74 1HG GLN 11 HG2 GLN 11 60.446 -0.064 -13.543 75 2HG GLN 11 HG1 GLN 11 58.839 -0.410 -12.901 76 1HE2 GLN 11 HE22 GLN 11 61.080 1.438 -10.387 77 2HE2 GLN 11 HE21 GLN 11 60.852 1.702 -12.048 78 H LEU 12 HN LEU 12 58.052 -4.793 -12.553 79 HA LEU 12 HA LEU 12 59.870 -6.848 -12.866 80 1HB LEU 12 HB2 LEU 12 56.913 -6.584 -12.753 81 2HB LEU 12 HB1 LEU 12 57.521 -8.147 -13.295 82 HG LEU 12 HG LEU 12 58.216 -6.732 -10.705 83 1HD1 LEU 12 HD13 LEU 12 56.719 -9.283 -11.373 84 2HD1 LEU 12 HD12 LEU 12 57.226 -8.842 -9.742 85 3HD1 LEU 12 HD11 LEU 12 56.063 -7.837 -10.605 86 1HD2 LEU 12 HD22 LEU 12 59.404 -9.115 -12.111 87 2HD2 LEU 12 HD21 LEU 12 60.228 -7.793 -11.283 88 3HD2 LEU 12 HD23 LEU 12 59.403 -9.041 -10.350 89 H THR 13 HN THR 13 59.844 -8.693 -14.473 90 HA THR 13 HA THR 13 59.685 -7.611 -17.246 91 HB THR 13 HB THR 13 60.975 -9.870 -17.584 92 HG1 THR 13 HG1 THR 13 61.688 -10.804 -15.790 93 1HG2 THR 13 HG23 THR 13 62.084 -7.539 -16.000 94 2HG2 THR 13 HG22 THR 13 63.078 -8.773 -16.774 95 3HG2 THR 13 HG21 THR 13 62.068 -7.711 -17.755 96 H GLU 14 HN GLU 14 58.478 -8.723 -18.863 97 HA GLU 14 HA GLU 14 55.980 -9.776 -18.314 98 1HB GLU 14 HB2 GLU 14 57.336 -9.231 -20.523 99 2HB GLU 14 HB1 GLU 14 57.627 -10.971 -20.521 100 1HG GLU 14 HG2 GLU 14 55.581 -11.277 -21.404 101 2HG GLU 14 HG1 GLU 14 54.880 -10.615 -19.927 102 H GLU 15 HN GLU 15 59.056 -11.567 -18.412 103 HA GLU 15 HA GLU 15 57.943 -14.199 -18.129 104 1HB GLU 15 HB2 GLU 15 60.613 -13.036 -17.270 105 2HB GLU 15 HB1 GLU 15 60.271 -14.751 -17.501 106 1HG GLU 15 HG2 GLU 15 59.448 -13.871 -19.891 107 2HG GLU 15 HG1 GLU 15 60.613 -12.595 -19.536 108 H GLN 16 HN GLN 16 58.339 -11.588 -15.884 109 HA GLN 16 HA GLN 16 58.311 -13.303 -13.488 110 1HB GLN 16 HB2 GLN 16 58.278 -10.341 -14.091 111 2HB GLN 16 HB1 GLN 16 58.097 -10.946 -12.443 112 1HG GLN 16 HG2 GLN 16 60.342 -12.054 -14.066 113 2HG GLN 16 HG1 GLN 16 60.504 -10.395 -13.484 114 1HE2 GLN 16 HE22 GLN 16 60.351 -13.455 -10.739 115 2HE2 GLN 16 HE21 GLN 16 59.716 -13.703 -12.293 116 H LYS 17 HN LYS 17 56.119 -10.831 -14.895 117 HA LYS 17 HA LYS 17 53.939 -11.212 -13.126 118 1HB LYS 17 HB2 LYS 17 54.038 -10.459 -16.065 119 2HB LYS 17 HB1 LYS 17 52.656 -10.181 -15.005 120 1HG LYS 17 HG2 LYS 17 55.247 -9.191 -13.974 121 2HG LYS 17 HG1 LYS 17 54.642 -8.357 -15.405 122 1HD LYS 17 HD2 LYS 17 52.486 -7.965 -14.279 123 2HD LYS 17 HD1 LYS 17 53.075 -8.814 -12.849 124 1HE LYS 17 HE2 LYS 17 53.273 -6.314 -12.650 125 2HE LYS 17 HE1 LYS 17 54.846 -7.129 -12.549 126 1HZ LYS 17 HZ2 LYS 17 53.706 -6.233 -15.130 127 2HZ LYS 17 HZ1 LYS 17 54.671 -5.207 -14.180 128 3HZ LYS 17 HZ3 LYS 17 55.314 -6.658 -14.780 129 H ASN 18 HN ASN 18 54.523 -12.732 -16.323 130 HA ASN 18 HA ASN 18 52.210 -14.372 -16.401 131 1HB ASN 18 HB2 ASN 18 55.005 -14.512 -17.522 132 2HB ASN 18 HB1 ASN 18 53.852 -15.807 -17.846 133 1HD2 ASN 18 HD22 ASN 18 53.625 -12.524 -20.070 134 2HD2 ASN 18 HD21 ASN 18 54.993 -12.991 -19.179 135 H GLU 19 HN GLU 19 55.470 -15.107 -15.113 136 HA GLU 19 HA GLU 19 54.840 -17.778 -14.245 137 1HB GLU 19 HB2 GLU 19 56.999 -15.826 -14.135 138 2HB GLU 19 HB1 GLU 19 56.875 -16.727 -12.623 139 1HG GLU 19 HG2 GLU 19 56.557 -18.460 -14.948 140 2HG GLU 19 HG1 GLU 19 58.106 -17.617 -14.962 141 H PHE 20 HN PHE 20 54.714 -14.606 -12.632 142 HA PHE 20 HA PHE 20 54.013 -15.679 -10.024 143 1HB PHE 20 HB2 PHE 20 53.915 -12.971 -11.370 144 2HB PHE 20 HB1 PHE 20 53.415 -13.201 -9.694 145 HD1 PHE 20 HD1 PHE 20 55.288 -15.166 -8.661 146 HD2 PHE 20 HD2 PHE 20 55.994 -11.885 -11.342 147 HE1 PHE 20 HE1 PHE 20 57.659 -15.089 -7.941 148 HE2 PHE 20 HE2 PHE 20 58.365 -11.807 -10.621 149 HZ PHE 20 HZ PHE 20 59.199 -13.410 -8.921 150 H LYS 21 HN LYS 21 52.060 -13.654 -12.257 151 HA LYS 21 HA LYS 21 49.549 -14.013 -11.096 152 1HB LYS 21 HB2 LYS 21 50.541 -13.691 -13.925 153 2HB LYS 21 HB1 LYS 21 48.812 -13.813 -13.599 154 1HG LYS 21 HG2 LYS 21 48.732 -11.687 -12.858 155 2HG LYS 21 HG1 LYS 21 50.075 -11.970 -11.750 156 1HD LYS 21 HD2 LYS 21 51.661 -11.241 -13.262 157 2HD LYS 21 HD1 LYS 21 50.701 -11.724 -14.660 158 1HE LYS 21 HE2 LYS 21 49.635 -9.532 -12.911 159 2HE LYS 21 HE1 LYS 21 50.944 -9.152 -14.048 160 1HZ LYS 21 HZ1 LYS 21 49.493 -10.593 -15.647 161 2HZ LYS 21 HZ3 LYS 21 48.235 -10.143 -14.602 162 3HZ LYS 21 HZ2 LYS 21 49.131 -8.949 -15.413 163 H ALA 22 HN ALA 22 51.346 -16.248 -13.165 164 HA ALA 22 HA ALA 22 49.138 -18.117 -13.521 165 1HB ALA 22 HB2 ALA 22 52.147 -18.367 -13.845 166 2HB ALA 22 HB1 ALA 22 50.964 -19.516 -14.468 167 3HB ALA 22 HB3 ALA 22 51.013 -17.871 -15.101 168 H ALA 23 HN ALA 23 52.178 -18.247 -11.612 169 HA ALA 23 HA ALA 23 51.811 -20.655 -10.254 170 1HB ALA 23 HB2 ALA 23 53.170 -18.075 -9.830 171 2HB ALA 23 HB1 ALA 23 52.852 -18.962 -8.339 172 3HB ALA 23 HB3 ALA 23 53.790 -19.714 -9.630 173 H PHE 24 HN PHE 24 50.642 -17.438 -9.170 174 HA PHE 24 HA PHE 24 49.279 -18.205 -6.840 175 1HB PHE 24 HB2 PHE 24 49.494 -15.902 -7.374 176 2HB PHE 24 HB1 PHE 24 48.802 -16.127 -8.981 177 HD1 PHE 24 HD2 PHE 24 46.349 -16.726 -9.194 178 HD2 PHE 24 HD1 PHE 24 48.113 -15.457 -5.489 179 HE1 PHE 24 HE2 PHE 24 44.095 -16.215 -8.297 180 HE2 PHE 24 HE1 PHE 24 45.857 -14.946 -4.591 181 HZ PHE 24 HZ PHE 24 43.849 -15.325 -5.995 182 H ASP 25 HN ASP 25 47.971 -18.078 -10.176 183 HA ASP 25 HA ASP 25 45.381 -19.126 -9.527 184 1HB ASP 25 HB2 ASP 25 46.913 -18.273 -11.787 185 2HB ASP 25 HB1 ASP 25 46.209 -19.844 -12.175 186 H ILE 26 HN ILE 26 48.466 -20.619 -9.654 187 HA ILE 26 HA ILE 26 47.310 -23.330 -10.112 188 HB ILE 26 HB ILE 26 50.170 -22.340 -9.862 189 1HG1 ILE 26 HG12 ILE 26 48.805 -23.176 -12.415 190 2HG1 ILE 26 HG11 ILE 26 48.640 -21.523 -11.820 191 1HG2 ILE 26 HG22 ILE 26 49.227 -24.917 -9.630 192 2HG2 ILE 26 HG21 ILE 26 49.577 -24.807 -11.355 193 3HG2 ILE 26 HG23 ILE 26 50.848 -24.485 -10.177 194 1HD1 ILE 26 HD13 ILE 26 51.384 -22.184 -11.593 195 2HD1 ILE 26 HD12 ILE 26 50.871 -22.725 -13.191 196 3HD1 ILE 26 HD11 ILE 26 50.646 -21.041 -12.715 197 H PHE 27 HN PHE 27 48.596 -21.258 -7.621 198 HA PHE 27 HA PHE 27 48.901 -23.540 -5.729 199 1HB PHE 27 HB2 PHE 27 49.601 -20.590 -5.665 200 2HB PHE 27 HB1 PHE 27 49.865 -21.677 -4.300 201 HD1 PHE 27 HD1 PHE 27 50.998 -24.036 -5.097 202 HD2 PHE 27 HD2 PHE 27 51.444 -20.224 -7.026 203 HE1 PHE 27 HE1 PHE 27 53.125 -24.802 -6.120 204 HE2 PHE 27 HE2 PHE 27 53.568 -20.989 -8.046 205 HZ PHE 27 HZ PHE 27 54.411 -23.278 -7.595 206 H VAL 28 HN VAL 28 46.746 -20.928 -6.533 207 HA VAL 28 HA VAL 28 45.442 -20.760 -3.935 208 HB VAL 28 HB VAL 28 45.226 -19.639 -6.673 209 1HG1 VAL 28 HG12 VAL 28 42.828 -19.715 -4.814 210 2HG1 VAL 28 HG11 VAL 28 42.957 -18.726 -6.269 211 3HG1 VAL 28 HG13 VAL 28 42.932 -20.484 -6.397 212 1HG2 VAL 28 HG22 VAL 28 45.594 -18.805 -3.902 213 2HG2 VAL 28 HG21 VAL 28 46.075 -17.989 -5.391 214 3HG2 VAL 28 HG23 VAL 28 44.442 -17.779 -4.758 215 H LEU 29 HN LEU 29 45.368 -23.016 -6.488 216 HA LEU 29 HA LEU 29 42.707 -23.879 -6.686 217 1HB LEU 29 HB2 LEU 29 45.430 -25.019 -6.878 218 2HB LEU 29 HB1 LEU 29 44.144 -26.202 -6.643 219 HG LEU 29 HG LEU 29 44.596 -25.731 -9.058 220 1HD1 LEU 29 HD12 LEU 29 42.313 -26.381 -8.097 221 2HD1 LEU 29 HD11 LEU 29 41.880 -24.677 -8.244 222 3HD1 LEU 29 HD13 LEU 29 42.296 -25.610 -9.682 223 1HD2 LEU 29 HD23 LEU 29 43.626 -22.967 -8.262 224 2HD2 LEU 29 HD22 LEU 29 45.229 -23.380 -8.874 225 3HD2 LEU 29 HD21 LEU 29 43.821 -23.515 -9.927 226 H GLY 30 HN GLY 30 44.996 -24.286 -4.038 227 1HA GLY 30 HA2 GLY 30 43.055 -26.008 -2.580 228 2HA GLY 30 HA1 GLY 30 44.738 -25.747 -2.114 229 H ALA 31 HN ALA 31 43.454 -22.823 -3.055 230 HA ALA 31 HA ALA 31 43.416 -21.813 -0.315 231 1HB ALA 31 HB1 ALA 31 43.933 -20.823 -2.820 232 2HB ALA 31 HB3 ALA 31 42.321 -20.174 -2.517 233 3HB ALA 31 HB2 ALA 31 43.639 -19.816 -1.402 234 H GLU 32 HN GLU 32 41.291 -19.947 -0.496 235 HA GLU 32 HA GLU 32 38.820 -21.571 -0.850 236 1HB GLU 32 HB2 GLU 32 40.019 -21.589 1.530 237 2HB GLU 32 HB1 GLU 32 39.198 -20.037 1.695 238 1HG GLU 32 HG2 GLU 32 37.047 -21.135 1.118 239 2HG GLU 32 HG1 GLU 32 37.881 -22.686 1.026 240 H ASP 33 HN ASP 33 40.285 -18.425 -0.057 241 HA ASP 33 HA ASP 33 37.796 -17.052 -0.977 242 1HB ASP 33 HB2 ASP 33 39.851 -16.638 1.032 243 2HB ASP 33 HB1 ASP 33 39.692 -15.213 0.006 244 H GLY 34 HN GLY 34 40.374 -18.255 -2.473 245 1HA GLY 34 HA2 GLY 34 41.206 -17.754 -4.633 246 2HA GLY 34 HA1 GLY 34 40.319 -16.230 -4.585 247 H SER 35 HN SER 35 42.684 -17.431 -2.217 248 HA SER 35 HA SER 35 44.694 -15.461 -3.148 249 1HB SER 35 HB2 SER 35 44.177 -15.212 -0.280 250 2HB SER 35 HB1 SER 35 44.288 -13.952 -1.504 251 HG SER 35 HG SER 35 42.174 -14.296 -0.443 252 H ILE 36 HN ILE 36 46.680 -15.631 -1.574 253 HA ILE 36 HA ILE 36 46.890 -18.418 -0.500 254 HB ILE 36 HB ILE 36 49.374 -18.043 -1.458 255 1HG1 ILE 36 HG12 ILE 36 47.567 -16.399 -3.265 256 2HG1 ILE 36 HG11 ILE 36 48.979 -15.820 -2.380 257 1HG2 ILE 36 HG22 ILE 36 46.990 -19.401 -2.292 258 2HG2 ILE 36 HG21 ILE 36 47.866 -18.854 -3.722 259 3HG2 ILE 36 HG23 ILE 36 48.671 -19.879 -2.532 260 1HD1 ILE 36 HD11 ILE 36 50.235 -17.716 -3.695 261 2HD1 ILE 36 HD13 ILE 36 48.860 -17.607 -4.793 262 3HD1 ILE 36 HD12 ILE 36 49.874 -16.193 -4.507 263 H SER 37 HN SER 37 46.987 -17.897 1.681 264 HA SER 37 HA SER 37 48.518 -15.608 2.670 265 1HB SER 37 HB2 SER 37 47.635 -16.312 4.778 266 2HB SER 37 HB1 SER 37 46.378 -16.691 3.604 267 HG SER 37 HG SER 37 46.755 -18.469 4.944 268 H THR 38 HN THR 38 50.098 -16.220 4.612 269 HA THR 38 HA THR 38 52.475 -17.271 3.683 270 HB THR 38 HB THR 38 52.458 -16.198 5.784 271 HG1 THR 38 HG1 THR 38 52.859 -18.197 7.258 272 1HG2 THR 38 HG22 THR 38 50.012 -17.727 6.098 273 2HG2 THR 38 HG21 THR 38 51.004 -17.798 7.555 274 3HG2 THR 38 HG23 THR 38 50.507 -16.236 6.901 275 H LYS 39 HN LYS 39 49.634 -19.070 4.660 276 HA LYS 39 HA LYS 39 50.979 -21.651 4.887 277 1HB LYS 39 HB2 LYS 39 48.861 -20.959 6.041 278 2HB LYS 39 HB1 LYS 39 48.057 -20.941 4.471 279 1HG LYS 39 HG2 LYS 39 47.660 -23.080 5.632 280 2HG LYS 39 HG1 LYS 39 48.602 -23.329 4.161 281 1HD LYS 39 HD2 LYS 39 50.661 -23.470 5.428 282 2HD LYS 39 HD1 LYS 39 49.826 -23.023 6.916 283 1HE LYS 39 HE2 LYS 39 48.368 -25.214 5.972 284 2HE LYS 39 HE1 LYS 39 50.063 -25.651 5.669 285 1HZ LYS 39 HZ3 LYS 39 50.573 -24.882 7.945 286 2HZ LYS 39 HZ2 LYS 39 48.913 -24.652 8.223 287 3HZ LYS 39 HZ1 LYS 39 49.521 -26.212 7.927 288 H GLU 40 HN GLU 40 49.256 -19.879 2.340 289 HA GLU 40 HA GLU 40 49.524 -22.188 0.483 290 1HB GLU 40 HB2 GLU 40 48.173 -19.476 0.319 291 2HB GLU 40 HB1 GLU 40 48.099 -20.697 -0.950 292 1HG GLU 40 HG2 GLU 40 47.173 -21.126 1.905 293 2HG GLU 40 HG1 GLU 40 46.106 -20.760 0.548 294 H LEU 41 HN LEU 41 50.683 -18.874 0.978 295 HA LEU 41 HA LEU 41 52.090 -18.680 -1.556 296 1HB LEU 41 HB2 LEU 41 51.244 -16.955 0.347 297 2HB LEU 41 HB1 LEU 41 52.931 -17.116 0.836 298 HG LEU 41 HG LEU 41 52.573 -15.251 -0.786 299 1HD1 LEU 41 HD11 LEU 41 54.704 -16.691 -0.617 300 2HD1 LEU 41 HD13 LEU 41 54.151 -17.465 -2.102 301 3HD1 LEU 41 HD12 LEU 41 54.498 -15.736 -2.085 302 1HD2 LEU 41 HD22 LEU 41 50.759 -16.762 -1.993 303 2HD2 LEU 41 HD21 LEU 41 51.704 -15.595 -2.918 304 3HD2 LEU 41 HD23 LEU 41 52.150 -17.302 -2.934 305 H GLY 42 HN GLY 42 52.720 -20.377 1.341 306 1HA GLY 42 HA2 GLY 42 55.592 -20.168 1.418 307 2HA GLY 42 HA1 GLY 42 54.640 -21.453 2.166 308 H LYS 43 HN LYS 43 53.345 -22.253 -0.333 309 HA LYS 43 HA LYS 43 55.450 -24.030 -1.332 310 1HB LYS 43 HB2 LYS 43 52.502 -23.591 -1.797 311 2HB LYS 43 HB1 LYS 43 53.415 -24.712 -2.808 312 1HG LYS 43 HG2 LYS 43 53.920 -26.130 -1.003 313 2HG LYS 43 HG1 LYS 43 53.585 -24.879 0.193 314 1HD LYS 43 HD2 LYS 43 51.627 -26.085 0.378 315 2HD LYS 43 HD1 LYS 43 51.159 -24.995 -0.926 316 1HE LYS 43 HE2 LYS 43 50.857 -26.766 -2.300 317 2HE LYS 43 HE1 LYS 43 52.550 -27.244 -2.064 318 1HZ LYS 43 HZ3 LYS 43 51.831 -28.150 0.141 319 2HZ LYS 43 HZ2 LYS 43 50.222 -27.923 -0.353 320 3HZ LYS 43 HZ1 LYS 43 51.230 -28.996 -1.201 321 H VAL 44 HN VAL 44 54.134 -20.966 -2.240 322 HA VAL 44 HA VAL 44 54.846 -21.196 -5.088 323 HB VAL 44 HB VAL 44 54.017 -18.826 -3.382 324 1HG1 VAL 44 HG13 VAL 44 54.614 -19.223 -6.234 325 2HG1 VAL 44 HG12 VAL 44 53.047 -18.469 -5.937 326 3HG1 VAL 44 HG11 VAL 44 54.517 -17.729 -5.304 327 1HG2 VAL 44 HG22 VAL 44 52.551 -21.154 -4.408 328 2HG2 VAL 44 HG21 VAL 44 52.066 -19.970 -3.194 329 3HG2 VAL 44 HG23 VAL 44 51.846 -19.618 -4.908 330 H MET 45 HN MET 45 56.275 -19.971 -2.119 331 HA MET 45 HA MET 45 58.305 -18.328 -3.400 332 1HB MET 45 HB2 MET 45 57.812 -19.500 -0.662 333 2HB MET 45 HB1 MET 45 59.278 -18.582 -1.008 334 1HG MET 45 HG2 MET 45 58.034 -16.615 -1.550 335 2HG MET 45 HG1 MET 45 56.514 -17.508 -1.603 336 1HE MET 45 HE3 MET 45 58.770 -15.359 0.104 337 2HE MET 45 HE2 MET 45 57.120 -14.751 0.216 338 3HE MET 45 HE1 MET 45 58.024 -15.099 1.687 339 H ARG 46 HN ARG 46 58.389 -21.539 -1.807 340 HA ARG 46 HA ARG 46 61.124 -22.121 -2.369 341 1HB ARG 46 HB2 ARG 46 58.958 -23.262 -1.059 342 2HB ARG 46 HB1 ARG 46 59.278 -24.401 -2.367 343 1HG ARG 46 HG2 ARG 46 61.818 -23.803 -1.459 344 2HG ARG 46 HG1 ARG 46 60.869 -23.817 0.028 345 1HD ARG 46 HD2 ARG 46 59.954 -26.054 -0.606 346 2HD ARG 46 HD1 ARG 46 61.013 -26.048 -2.031 347 HE ARG 46 HE ARG 46 62.337 -25.532 0.558 348 1HH1 ARG 46 HH21 ARG 46 62.713 -26.959 -2.394 349 2HH1 ARG 46 HH22 ARG 46 63.406 -28.439 -1.819 350 1HH2 ARG 46 HH11 ARG 46 62.704 -27.782 1.512 351 2HH2 ARG 46 HH12 ARG 46 63.402 -28.905 0.393 352 H MET 47 HN MET 47 58.225 -22.388 -4.352 353 HA MET 47 HA MET 47 59.494 -24.088 -6.371 354 1HB MET 47 HB2 MET 47 57.356 -24.155 -7.262 355 2HB MET 47 HB1 MET 47 56.963 -23.675 -5.614 356 1HG MET 47 HG2 MET 47 55.758 -22.115 -6.875 357 2HG MET 47 HG1 MET 47 57.248 -21.236 -6.539 358 1HE MET 47 HE1 MET 47 55.239 -20.485 -8.731 359 2HE MET 47 HE3 MET 47 55.486 -21.128 -10.360 360 3HE MET 47 HE2 MET 47 54.768 -22.140 -9.110 361 H LEU 48 HN LEU 48 58.901 -20.625 -5.922 362 HA LEU 48 HA LEU 48 59.747 -19.879 -8.610 363 1HB LEU 48 HB2 LEU 48 59.239 -18.439 -5.996 364 2HB LEU 48 HB1 LEU 48 59.740 -17.583 -7.455 365 HG LEU 48 HG LEU 48 57.364 -19.452 -7.422 366 1HD1 LEU 48 HD13 LEU 48 57.622 -16.631 -6.494 367 2HD1 LEU 48 HD12 LEU 48 56.210 -17.026 -7.472 368 3HD1 LEU 48 HD11 LEU 48 56.507 -17.889 -5.964 369 1HD2 LEU 48 HD22 LEU 48 58.742 -17.768 -9.373 370 2HD2 LEU 48 HD21 LEU 48 57.546 -19.035 -9.640 371 3HD2 LEU 48 HD23 LEU 48 57.022 -17.393 -9.270 372 H GLY 49 HN GLY 49 61.210 -18.536 -5.677 373 1HA GLY 49 HA2 GLY 49 63.788 -19.760 -5.985 374 2HA GLY 49 HA1 GLY 49 63.778 -18.188 -6.787 375 H GLN 50 HN GLN 50 62.405 -19.433 -3.718 376 HA GLN 50 HA GLN 50 63.951 -17.328 -2.268 377 1HB GLN 50 HB2 GLN 50 60.960 -17.832 -2.207 378 2HB GLN 50 HB1 GLN 50 61.801 -16.786 -1.063 379 1HG GLN 50 HG2 GLN 50 62.763 -15.739 -3.334 380 2HG GLN 50 HG1 GLN 50 61.233 -16.357 -3.956 381 1HE2 GLN 50 HE22 GLN 50 59.263 -13.947 -2.263 382 2HE2 GLN 50 HE21 GLN 50 59.263 -15.353 -3.214 383 H ASN 51 HN ASN 51 64.419 -17.913 -0.091 384 HA ASN 51 HA ASN 51 63.552 -20.668 0.729 385 1HB ASN 51 HB2 ASN 51 66.078 -19.791 -0.050 386 2HB ASN 51 HB1 ASN 51 66.158 -19.762 1.712 387 1HD2 ASN 51 HD22 ASN 51 66.612 -23.268 -0.018 388 2HD2 ASN 51 HD21 ASN 51 66.971 -21.760 -0.708 389 HA PRO 52 HA PRO 52 62.976 -17.296 4.005 390 1HB PRO 52 HB2 PRO 52 60.244 -17.131 3.938 391 2HB PRO 52 HB1 PRO 52 61.300 -16.103 2.948 392 1HG PRO 52 HG2 PRO 52 59.779 -18.545 2.186 393 2HG PRO 52 HG1 PRO 52 60.062 -17.058 1.268 394 1HD PRO 52 HD2 PRO 52 61.433 -19.377 0.839 395 2HD PRO 52 HD1 PRO 52 62.096 -17.764 0.498 396 H THR 53 HN THR 53 61.922 -17.720 6.131 397 HA THR 53 HA THR 53 61.486 -20.642 6.558 398 HB THR 53 HB THR 53 61.702 -19.422 9.021 399 HG1 THR 53 HG1 THR 53 63.038 -17.739 8.848 400 1HG2 THR 53 HG22 THR 53 63.249 -21.095 7.317 401 2HG2 THR 53 HG21 THR 53 64.339 -19.894 8.008 402 3HG2 THR 53 HG23 THR 53 63.372 -20.921 9.067 403 HA PRO 54 HA PRO 54 57.292 -20.096 7.721 404 1HB PRO 54 HB2 PRO 54 57.057 -21.598 9.997 405 2HB PRO 54 HB1 PRO 54 57.253 -22.313 8.384 406 1HG PRO 54 HG2 PRO 54 59.269 -21.912 10.534 407 2HG PRO 54 HG1 PRO 54 59.074 -23.262 9.406 408 1HD PRO 54 HD2 PRO 54 60.949 -21.296 9.110 409 2HD PRO 54 HD1 PRO 54 60.269 -22.226 7.757 410 H GLU 55 HN GLU 55 59.592 -19.617 10.392 411 HA GLU 55 HA GLU 55 57.802 -18.134 12.102 412 1HB GLU 55 HB2 GLU 55 60.604 -18.946 11.927 413 2HB GLU 55 HB1 GLU 55 60.428 -17.335 12.626 414 1HG GLU 55 HG2 GLU 55 59.265 -18.105 14.463 415 2HG GLU 55 HG1 GLU 55 58.570 -19.467 13.583 416 H GLU 56 HN GLU 56 60.254 -17.142 9.698 417 HA GLU 56 HA GLU 56 59.769 -14.295 10.093 418 1HB GLU 56 HB2 GLU 56 61.599 -16.051 8.764 419 2HB GLU 56 HB1 GLU 56 60.986 -14.900 7.576 420 1HG GLU 56 HG2 GLU 56 62.194 -13.225 8.476 421 2HG GLU 56 HG1 GLU 56 61.556 -13.565 10.085 422 H LEU 57 HN LEU 57 58.661 -16.778 7.809 423 HA LEU 57 HA LEU 57 57.497 -15.313 5.764 424 1HB LEU 57 HB2 LEU 57 57.227 -17.882 7.014 425 2HB LEU 57 HB1 LEU 57 55.615 -17.281 6.621 426 HG LEU 57 HG LEU 57 57.691 -16.906 4.530 427 1HD1 LEU 57 HD11 LEU 57 57.330 -19.456 5.767 428 2HD1 LEU 57 HD13 LEU 57 56.576 -19.516 4.173 429 3HD1 LEU 57 HD12 LEU 57 58.276 -19.068 4.329 430 1HD2 LEU 57 HD22 LEU 57 54.777 -17.219 4.817 431 2HD2 LEU 57 HD21 LEU 57 55.697 -16.353 3.587 432 3HD2 LEU 57 HD23 LEU 57 55.449 -18.093 3.439 433 H GLN 58 HN GLN 58 55.619 -16.298 8.662 434 HA GLN 58 HA GLN 58 53.357 -14.717 8.304 435 1HB GLN 58 HB2 GLN 58 53.474 -16.284 10.095 436 2HB GLN 58 HB1 GLN 58 54.933 -15.540 10.751 437 1HG GLN 58 HG2 GLN 58 53.024 -14.897 12.125 438 2HG GLN 58 HG1 GLN 58 53.608 -13.481 11.249 439 1HE2 GLN 58 HE22 GLN 58 50.551 -12.988 9.581 440 2HE2 GLN 58 HE21 GLN 58 52.076 -12.373 10.005 441 H GLU 59 HN GLU 59 56.502 -13.721 9.636 442 HA GLU 59 HA GLU 59 55.693 -11.064 10.417 443 1HB GLU 59 HB2 GLU 59 57.670 -12.221 11.289 444 2HB GLU 59 HB1 GLU 59 58.371 -12.284 9.671 445 1HG GLU 59 HG2 GLU 59 57.718 -9.582 10.084 446 2HG GLU 59 HG1 GLU 59 58.436 -10.123 11.602 447 H MET 60 HN MET 60 57.213 -12.386 7.469 448 HA MET 60 HA MET 60 57.749 -10.002 6.076 449 1HB MET 60 HB2 MET 60 57.187 -12.844 5.482 450 2HB MET 60 HB1 MET 60 56.919 -11.743 4.129 451 1HG MET 60 HG2 MET 60 59.321 -10.872 5.267 452 2HG MET 60 HG1 MET 60 59.429 -12.631 5.305 453 1HE MET 60 HE1 MET 60 61.365 -11.378 4.169 454 2HE MET 60 HE3 MET 60 61.525 -12.647 2.947 455 3HE MET 60 HE2 MET 60 61.444 -10.956 2.460 456 H ILE 61 HN ILE 61 54.724 -11.939 5.946 457 HA ILE 61 HA ILE 61 53.292 -10.058 4.308 458 HB ILE 61 HB ILE 61 52.624 -12.373 6.114 459 1HG1 ILE 61 HG12 ILE 61 51.571 -12.562 3.478 460 2HG1 ILE 61 HG11 ILE 61 53.213 -11.934 3.337 461 1HG2 ILE 61 HG21 ILE 61 50.729 -10.378 4.896 462 2HG2 ILE 61 HG23 ILE 61 50.249 -12.070 5.039 463 3HG2 ILE 61 HG22 ILE 61 50.663 -11.146 6.484 464 1HD1 ILE 61 HD12 ILE 61 53.306 -13.969 5.299 465 2HD1 ILE 61 HD11 ILE 61 52.362 -14.614 3.956 466 3HD1 ILE 61 HD13 ILE 61 53.996 -14.012 3.677 467 H ASP 62 HN ASP 62 52.904 -10.776 7.805 468 HA ASP 62 HA ASP 62 51.142 -8.804 8.584 469 1HB ASP 62 HB2 ASP 62 52.136 -10.456 10.082 470 2HB ASP 62 HB1 ASP 62 53.719 -9.697 9.914 471 H GLU 63 HN GLU 63 54.456 -8.336 7.515 472 HA GLU 63 HA GLU 63 54.572 -5.543 8.439 473 1HB GLU 63 HB2 GLU 63 56.321 -7.618 7.335 474 2HB GLU 63 HB1 GLU 63 56.653 -6.023 6.658 475 1HG GLU 63 HG2 GLU 63 56.269 -6.298 9.621 476 2HG GLU 63 HG1 GLU 63 57.815 -6.762 8.908 477 H VAL 64 HN VAL 64 54.455 -7.225 5.273 478 HA VAL 64 HA VAL 64 54.101 -4.697 3.822 479 HB VAL 64 HB VAL 64 54.095 -6.176 1.888 480 1HG1 VAL 64 HG12 VAL 64 56.213 -5.833 3.391 481 2HG1 VAL 64 HG11 VAL 64 55.975 -7.530 3.809 482 3HG1 VAL 64 HG13 VAL 64 56.250 -7.066 2.129 483 1HG2 VAL 64 HG21 VAL 64 53.137 -8.089 3.912 484 2HG2 VAL 64 HG23 VAL 64 52.862 -8.065 2.170 485 3HG2 VAL 64 HG22 VAL 64 54.349 -8.757 2.819 486 H ASP 65 HN ASP 65 52.064 -7.193 5.184 487 HA ASP 65 HA ASP 65 49.697 -6.758 3.620 488 1HB ASP 65 HB2 ASP 65 50.479 -8.573 5.396 489 2HB ASP 65 HB1 ASP 65 49.628 -7.513 6.521 490 H GLU 66 HN GLU 66 48.266 -5.064 3.688 491 HA GLU 66 HA GLU 66 48.742 -2.768 5.401 492 1HB GLU 66 HB2 GLU 66 46.781 -1.893 4.204 493 2HB GLU 66 HB1 GLU 66 47.853 -2.717 3.070 494 1HG GLU 66 HG2 GLU 66 46.456 -4.778 3.318 495 2HG GLU 66 HG1 GLU 66 45.339 -3.855 4.326 496 H ASP 67 HN ASP 67 47.171 -5.722 5.930 497 HA ASP 67 HA ASP 67 45.539 -4.521 8.145 498 1HB ASP 67 HB2 ASP 67 43.868 -6.203 7.660 499 2HB ASP 67 HB1 ASP 67 44.300 -5.434 6.131 500 H GLY 68 HN GLY 68 48.080 -6.620 7.300 501 1HA GLY 68 HA2 GLY 68 49.346 -8.143 8.558 502 2HA GLY 68 HA1 GLY 68 48.653 -7.370 9.985 503 H SER 69 HN SER 69 47.777 -9.701 7.419 504 HA SER 69 HA SER 69 46.196 -11.188 9.493 505 1HB SER 69 HB2 SER 69 44.773 -11.799 7.430 506 2HB SER 69 HB1 SER 69 44.650 -10.143 8.017 507 HG SER 69 HG SER 69 45.312 -10.922 5.617 508 H GLY 70 HN GLY 70 48.398 -11.330 6.752 509 1HA GLY 70 HA2 GLY 70 50.033 -13.142 6.604 510 2HA GLY 70 HA1 GLY 70 48.857 -14.209 7.371 511 H THR 71 HN THR 71 47.016 -12.495 5.315 512 HA THR 71 HA THR 71 47.051 -14.654 3.294 513 HB THR 71 HB THR 71 44.946 -13.503 2.590 514 HG1 THR 71 HG1 THR 71 44.316 -11.807 4.167 515 1HG2 THR 71 HG22 THR 71 45.285 -15.102 4.693 516 2HG2 THR 71 HG21 THR 71 44.790 -13.653 5.569 517 3HG2 THR 71 HG23 THR 71 43.723 -14.356 4.353 518 H VAL 72 HN VAL 72 47.185 -14.163 0.998 519 HA VAL 72 HA VAL 72 48.190 -11.471 0.235 520 HB VAL 72 HB VAL 72 49.684 -14.099 0.042 521 1HG1 VAL 72 HG12 VAL 72 49.610 -12.078 -1.924 522 2HG1 VAL 72 HG11 VAL 72 51.114 -11.827 -1.039 523 3HG1 VAL 72 HG13 VAL 72 50.783 -13.388 -1.790 524 1HG2 VAL 72 HG23 VAL 72 49.894 -12.722 2.121 525 2HG2 VAL 72 HG22 VAL 72 51.416 -12.869 1.242 526 3HG2 VAL 72 HG21 VAL 72 50.477 -11.381 1.132 527 H ASP 73 HN ASP 73 47.119 -10.943 -1.630 528 HA ASP 73 HA ASP 73 46.072 -13.161 -3.348 529 1HB ASP 73 HB2 ASP 73 44.538 -11.312 -4.139 530 2HB ASP 73 HB1 ASP 73 44.389 -11.684 -2.421 531 H PHE 74 HN PHE 74 45.648 -11.709 -5.681 532 HA PHE 74 HA PHE 74 48.053 -11.873 -7.105 533 1HB PHE 74 HB2 PHE 74 45.986 -11.720 -8.266 534 2HB PHE 74 HB1 PHE 74 45.529 -10.240 -7.422 535 HD1 PHE 74 HD2 PHE 74 48.637 -11.308 -9.240 536 HD2 PHE 74 HD1 PHE 74 45.448 -8.450 -8.910 537 HE1 PHE 74 HE2 PHE 74 49.662 -9.956 -11.050 538 HE2 PHE 74 HE1 PHE 74 46.471 -7.097 -10.719 539 HZ PHE 74 HZ PHE 74 48.578 -7.851 -11.789 540 H ASP 75 HN ASP 75 46.868 -9.248 -5.081 541 HA ASP 75 HA ASP 75 48.899 -7.339 -6.027 542 1HB ASP 75 HB2 ASP 75 46.408 -7.164 -4.924 543 2HB ASP 75 HB1 ASP 75 47.416 -6.885 -3.503 544 H GLU 76 HN GLU 76 48.149 -8.571 -2.743 545 HA GLU 76 HA GLU 76 50.515 -7.896 -1.448 546 1HB GLU 76 HB2 GLU 76 48.966 -10.493 -1.177 547 2HB GLU 76 HB1 GLU 76 49.926 -9.710 0.079 548 1HG GLU 76 HG2 GLU 76 48.337 -7.653 -0.454 549 2HG GLU 76 HG1 GLU 76 47.261 -8.923 -1.040 550 H PHE 77 HN PHE 77 49.983 -10.525 -3.743 551 HA PHE 77 HA PHE 77 52.374 -12.024 -3.222 552 1HB PHE 77 HB2 PHE 77 50.302 -12.653 -4.562 553 2HB PHE 77 HB1 PHE 77 50.935 -11.645 -5.862 554 HD1 PHE 77 HD2 PHE 77 52.562 -14.015 -3.451 555 HD2 PHE 77 HD1 PHE 77 51.807 -12.996 -7.555 556 HE1 PHE 77 HE2 PHE 77 54.028 -15.876 -4.182 557 HE2 PHE 77 HE1 PHE 77 53.273 -14.858 -8.286 558 HZ PHE 77 HZ PHE 77 54.385 -16.298 -6.600 559 H LEU 78 HN LEU 78 51.739 -9.850 -6.006 560 HA LEU 78 HA LEU 78 54.410 -9.613 -6.895 561 1HB LEU 78 HB2 LEU 78 52.208 -7.522 -6.922 562 2HB LEU 78 HB1 LEU 78 53.565 -7.619 -8.044 563 HG LEU 78 HG LEU 78 51.240 -9.533 -7.769 564 1HD1 LEU 78 HD12 LEU 78 52.384 -7.818 -9.983 565 2HD1 LEU 78 HD11 LEU 78 51.202 -9.094 -10.280 566 3HD1 LEU 78 HD13 LEU 78 50.778 -7.720 -9.259 567 1HD2 LEU 78 HD21 LEU 78 53.977 -9.935 -8.954 568 2HD2 LEU 78 HD23 LEU 78 53.004 -11.058 -8.003 569 3HD2 LEU 78 HD22 LEU 78 52.582 -10.729 -9.684 570 H VAL 79 HN VAL 79 52.896 -8.290 -4.081 571 HA VAL 79 HA VAL 79 54.844 -6.117 -3.711 572 HB VAL 79 HB VAL 79 52.695 -7.342 -1.947 573 1HG1 VAL 79 HG11 VAL 79 54.296 -4.779 -1.689 574 2HG1 VAL 79 HG13 VAL 79 52.878 -5.167 -0.716 575 3HG1 VAL 79 HG12 VAL 79 54.332 -6.156 -0.589 576 1HG2 VAL 79 HG21 VAL 79 51.941 -6.303 -4.111 577 2HG2 VAL 79 HG23 VAL 79 51.322 -5.479 -2.679 578 3HG2 VAL 79 HG22 VAL 79 52.671 -4.787 -3.581 579 H MET 80 HN MET 80 54.507 -9.474 -2.847 580 HA MET 80 HA MET 80 56.319 -9.433 -0.567 581 1HB MET 80 HB2 MET 80 54.490 -11.170 -1.780 582 2HB MET 80 HB1 MET 80 56.052 -11.961 -1.998 583 1HG MET 80 HG2 MET 80 56.328 -12.326 0.238 584 2HG MET 80 HG1 MET 80 55.585 -10.790 0.682 585 1HE MET 80 HE1 MET 80 55.477 -14.248 1.062 586 2HE MET 80 HE3 MET 80 53.855 -14.889 0.764 587 3HE MET 80 HE2 MET 80 54.903 -14.471 -0.589 588 H MET 81 HN MET 81 56.800 -9.168 -3.923 589 HA MET 81 HA MET 81 59.544 -10.343 -3.750 590 1HB MET 81 HB2 MET 81 58.902 -9.421 -6.388 591 2HB MET 81 HB1 MET 81 59.116 -11.077 -5.843 592 1HG MET 81 HG2 MET 81 56.509 -9.536 -5.632 593 2HG MET 81 HG1 MET 81 56.898 -10.665 -6.923 594 1HE MET 81 HE3 MET 81 58.147 -12.638 -6.419 595 2HE MET 81 HE2 MET 81 58.221 -13.514 -4.893 596 3HE MET 81 HE1 MET 81 56.922 -13.853 -6.034 597 H VAL 82 HN VAL 82 57.835 -7.373 -3.784 598 HA VAL 82 HA VAL 82 59.912 -5.704 -4.953 599 HB VAL 82 HB VAL 82 57.437 -5.289 -3.265 600 1HG1 VAL 82 HG11 VAL 82 59.664 -3.431 -3.785 601 2HG1 VAL 82 HG13 VAL 82 58.081 -2.797 -4.237 602 3HG1 VAL 82 HG12 VAL 82 58.375 -3.335 -2.585 603 1HG2 VAL 82 HG21 VAL 82 58.228 -4.919 -6.147 604 2HG2 VAL 82 HG23 VAL 82 56.825 -5.756 -5.483 605 3HG2 VAL 82 HG22 VAL 82 56.887 -3.993 -5.471 606 H ARG 83 HN ARG 83 59.119 -6.883 -1.727 607 HA ARG 83 HA ARG 83 61.156 -5.162 -0.441 608 1HB ARG 83 HB2 ARG 83 58.728 -6.388 0.265 609 2HB ARG 83 HB1 ARG 83 59.959 -7.270 1.170 610 1HG ARG 83 HG2 ARG 83 60.604 -5.408 2.382 611 2HG ARG 83 HG1 ARG 83 60.135 -4.285 1.105 612 1HD ARG 83 HD2 ARG 83 57.695 -5.247 1.678 613 2HD ARG 83 HD1 ARG 83 58.462 -5.500 3.259 614 HE ARG 83 HE ARG 83 58.091 -2.879 1.923 615 1HH1 ARG 83 HH11 ARG 83 60.824 -3.174 3.229 616 2HH1 ARG 83 HH12 ARG 83 60.512 -2.544 4.812 617 1HH2 ARG 83 HH21 ARG 83 57.064 -2.755 4.506 618 2HH2 ARG 83 HH22 ARG 83 58.383 -2.306 5.535 619 H SER 84 HN SER 84 60.820 -8.381 -1.719 620 HA SER 84 HA SER 84 63.182 -9.401 -0.243 621 1HB SER 84 HB2 SER 84 60.971 -10.635 -0.778 622 2HB SER 84 HB1 SER 84 61.591 -10.763 -2.421 623 HG SER 84 HG SER 84 62.225 -12.199 -0.239 624 H MET 85 HN MET 85 62.579 -7.655 -3.074 625 HA MET 85 HA MET 85 64.930 -8.818 -4.507 626 1HB MET 85 HB2 MET 85 62.490 -7.216 -5.223 627 2HB MET 85 HB1 MET 85 63.895 -7.161 -6.289 628 1HG MET 85 HG2 MET 85 63.715 -9.840 -5.852 629 2HG MET 85 HG1 MET 85 62.013 -9.384 -5.763 630 1HE MET 85 HE1 MET 85 60.977 -10.191 -7.267 631 2HE MET 85 HE3 MET 85 60.856 -9.642 -8.944 632 3HE MET 85 HE2 MET 85 61.862 -11.031 -8.538 633 H LYS 86 HN LYS 86 63.545 -5.536 -4.085 634 HA LYS 86 HA LYS 86 66.322 -4.545 -3.524 635 1HB LYS 86 HB2 LYS 86 65.893 -2.704 -5.011 636 2HB LYS 86 HB1 LYS 86 65.391 -4.161 -5.870 637 1HG LYS 86 HG2 LYS 86 63.045 -3.733 -4.969 638 2HG LYS 86 HG1 LYS 86 63.628 -2.148 -4.458 639 1HD LYS 86 HD2 LYS 86 64.454 -2.593 -7.167 640 2HD LYS 86 HD1 LYS 86 62.726 -2.922 -7.045 641 1HE LYS 86 HE2 LYS 86 62.397 -0.678 -7.113 642 2HE LYS 86 HE1 LYS 86 63.151 -0.591 -5.508 643 1HZ LYS 86 HZ1 LYS 86 65.300 -0.905 -7.017 644 2HZ LYS 86 HZ3 LYS 86 64.317 -0.090 -8.133 645 3HZ LYS 86 HZ2 LYS 86 64.672 0.626 -6.635 646 H ASP 87 HN ASP 87 65.889 -2.004 -2.847 647 HA ASP 87 HA ASP 87 65.100 -0.595 -1.129 648 1HB ASP 87 HB2 ASP 87 63.056 -0.681 -2.419 649 2HB ASP 87 HB1 ASP 87 62.651 -2.268 -1.768 650 H ASP 88 HN ASP 88 66.008 -0.965 0.845 651 HA ASP 88 HA ASP 88 66.494 -2.009 2.910 652 1HB ASP 88 HB2 ASP 88 63.690 -1.731 2.454 653 2HB ASP 88 HB1 ASP 88 63.943 -3.258 3.302 654 H SER 89 HN SER 89 67.733 -3.571 1.255 655 HA SER 89 HA SER 89 67.442 -6.253 2.253 656 1HB SER 89 HB2 SER 89 65.411 -6.056 0.813 657 2HB SER 89 HB1 SER 89 66.453 -5.731 -0.569 658 HG SER 89 HG SER 89 66.684 -7.804 -0.732 659 H LYS 90 HN LYS 90 68.349 -4.577 -0.791 660 HA LYS 90 HA LYS 90 70.548 -6.212 -1.491 661 1HB LYS 90 HB2 LYS 90 71.250 -4.165 -2.757 662 2HB LYS 90 HB1 LYS 90 69.535 -4.535 -2.950 663 1HG LYS 90 HG2 LYS 90 68.882 -2.814 -1.449 664 2HG LYS 90 HG1 LYS 90 70.519 -2.638 -0.815 665 1HD LYS 90 HD2 LYS 90 71.053 -1.154 -2.423 666 2HD LYS 90 HD1 LYS 90 70.491 -2.248 -3.687 667 1HE LYS 90 HE2 LYS 90 68.399 -0.863 -2.058 668 2HE LYS 90 HE1 LYS 90 69.277 0.099 -3.263 669 1HZ LYS 90 HZ1 LYS 90 68.276 -2.592 -3.934 670 2HZ LYS 90 HZ3 LYS 90 67.240 -1.253 -4.031 671 3HZ LYS 90 HZ2 LYS 90 68.651 -1.304 -4.975 672 H GLY 91 HN GLY 91 72.909 -5.292 -1.460 673 1HA GLY 91 HA2 GLY 91 73.831 -5.204 1.231 674 2HA GLY 91 HA1 GLY 91 74.801 -4.768 -0.176 675 H LYS 92 HN LYS 92 75.105 -3.330 2.175 676 HA LYS 92 HA LYS 92 74.703 -0.627 1.303 677 1HB LYS 92 HB2 LYS 92 72.384 -0.952 1.712 678 2HB LYS 92 HB1 LYS 92 72.691 -1.868 3.188 679 1HG LYS 92 HG2 LYS 92 73.395 0.090 4.369 680 2HG LYS 92 HG1 LYS 92 73.472 1.038 2.884 681 1HD LYS 92 HD2 LYS 92 71.253 1.485 2.925 682 2HD LYS 92 HD1 LYS 92 70.842 -0.179 3.338 683 1HE LYS 92 HE2 LYS 92 72.173 1.050 5.585 684 2HE LYS 92 HE1 LYS 92 70.801 2.055 5.077 685 1HZ LYS 92 HZ2 LYS 92 70.614 -0.893 5.304 686 2HZ LYS 92 HZ1 LYS 92 70.252 0.137 6.606 687 3HZ LYS 92 HZ3 LYS 92 69.346 0.229 5.175 688 H THR 93 HN THR 93 76.789 -0.235 2.085 689 HA THR 93 HA THR 93 77.077 -0.148 5.044 690 HB THR 93 HB THR 93 79.155 -1.413 3.241 691 HG1 THR 93 HG1 THR 93 77.076 -2.661 4.712 692 1HG2 THR 93 HG23 THR 93 79.648 -0.541 5.619 693 2HG2 THR 93 HG22 THR 93 78.652 -1.886 6.176 694 3HG2 THR 93 HG21 THR 93 80.120 -2.200 5.249 695 H GLU 94 HN GLU 94 80.117 0.103 3.889 696 HA GLU 94 HA GLU 94 80.207 2.984 4.098 697 1HB GLU 94 HB2 GLU 94 82.202 0.976 2.997 698 2HB GLU 94 HB1 GLU 94 82.579 2.613 3.537 699 1HG GLU 94 HG2 GLU 94 82.621 1.986 5.705 700 2HG GLU 94 HG1 GLU 94 81.096 1.111 5.553 701 H GLU 95 HN GLU 95 79.760 0.762 1.434 702 HA GLU 95 HA GLU 95 80.510 2.655 -0.662 703 1HB GLU 95 HB2 GLU 95 78.895 0.083 -0.707 704 2HB GLU 95 HB1 GLU 95 79.624 0.866 -2.109 705 1HG GLU 95 HG2 GLU 95 81.831 0.432 -1.340 706 2HG GLU 95 HG1 GLU 95 81.267 0.026 0.282 707 H GLU 96 HN GLU 96 77.456 1.508 0.779 708 HA GLU 96 HA GLU 96 75.660 2.852 -0.985 709 1HB GLU 96 HB2 GLU 96 75.656 1.379 1.495 710 2HB GLU 96 HB1 GLU 96 74.580 2.769 1.638 711 1HG GLU 96 HG2 GLU 96 73.438 0.733 0.726 712 2HG GLU 96 HG1 GLU 96 73.381 2.111 -0.374 713 H LEU 97 HN LEU 97 77.552 4.009 1.747 714 HA LEU 97 HA LEU 97 76.072 6.481 2.131 715 1HB LEU 97 HB2 LEU 97 78.727 5.321 2.960 716 2HB LEU 97 HB1 LEU 97 78.338 7.000 3.334 717 HG LEU 97 HG LEU 97 76.361 4.830 3.983 718 1HD1 LEU 97 HD12 LEU 97 78.976 5.375 5.303 719 2HD1 LEU 97 HD11 LEU 97 77.582 5.150 6.359 720 3HD1 LEU 97 HD13 LEU 97 78.044 3.880 5.228 721 1HD2 LEU 97 HD22 LEU 97 77.007 7.621 4.936 722 2HD2 LEU 97 HD21 LEU 97 75.483 7.002 4.300 723 3HD2 LEU 97 HD23 LEU 97 76.020 6.533 5.913 724 H SER 98 HN SER 98 79.070 5.603 0.398 725 HA SER 98 HA SER 98 79.733 8.264 -0.463 726 1HB SER 98 HB2 SER 98 81.440 7.152 -1.578 727 2HB SER 98 HB1 SER 98 80.982 5.910 -0.416 728 HG SER 98 HG SER 98 80.690 5.989 -3.144 729 H ASP 99 HN ASP 99 78.079 5.579 -2.170 730 HA ASP 99 HA ASP 99 77.554 6.916 -4.609 731 1HB ASP 99 HB2 ASP 99 76.158 4.757 -3.018 732 2HB ASP 99 HB1 ASP 99 75.580 5.245 -4.612 733 H LEU 100 HN LEU 100 75.518 6.733 -1.666 734 HA LEU 100 HA LEU 100 73.301 8.224 -2.583 735 1HB LEU 100 HB2 LEU 100 74.660 7.776 0.067 736 2HB LEU 100 HB1 LEU 100 73.254 8.837 -0.032 737 HG LEU 100 HG LEU 100 73.385 5.929 -0.882 738 1HD1 LEU 100 HD13 LEU 100 73.200 6.456 1.583 739 2HD1 LEU 100 HD12 LEU 100 71.685 7.285 1.230 740 3HD1 LEU 100 HD11 LEU 100 71.833 5.553 0.931 741 1HD2 LEU 100 HD23 LEU 100 71.590 8.123 -1.627 742 2HD2 LEU 100 HD22 LEU 100 71.746 6.515 -2.333 743 3HD2 LEU 100 HD21 LEU 100 70.734 6.758 -0.909 744 H PHE 101 HN PHE 101 76.455 9.339 -1.408 745 HA PHE 101 HA PHE 101 75.765 12.123 -1.140 746 1HB PHE 101 HB2 PHE 101 77.717 11.088 -0.090 747 2HB PHE 101 HB1 PHE 101 78.380 10.676 -1.671 748 HD1 PHE 101 HD2 PHE 101 78.782 12.640 -3.328 749 HD2 PHE 101 HD1 PHE 101 78.243 13.151 0.903 750 HE1 PHE 101 HE2 PHE 101 79.858 14.873 -3.459 751 HE2 PHE 101 HE1 PHE 101 79.318 15.383 0.771 752 HZ PHE 101 HZ PHE 101 80.126 16.240 -1.409 753 H ARG 102 HN ARG 102 77.625 10.449 -3.718 754 HA ARG 102 HA ARG 102 77.597 12.717 -5.503 755 1HB ARG 102 HB2 ARG 102 79.186 10.712 -5.379 756 2HB ARG 102 HB1 ARG 102 77.928 9.791 -6.204 757 1HG ARG 102 HG2 ARG 102 77.938 11.633 -7.978 758 2HG ARG 102 HG1 ARG 102 79.425 12.211 -7.224 759 1HD ARG 102 HD2 ARG 102 80.404 9.907 -7.534 760 2HD ARG 102 HD1 ARG 102 78.956 9.481 -8.470 761 HE ARG 102 HE ARG 102 80.543 11.888 -9.241 762 1HH1 ARG 102 HH11 ARG 102 78.390 11.297 -11.047 763 2HH1 ARG 102 HH12 ARG 102 79.090 10.240 -12.227 764 1HH2 ARG 102 HH21 ARG 102 81.827 9.427 -10.258 765 2HH2 ARG 102 HH22 ARG 102 81.037 9.180 -11.780 766 H MET 103 HN MET 103 75.176 10.458 -4.662 767 HA MET 103 HA MET 103 73.786 10.659 -7.284 768 1HB MET 103 HB2 MET 103 73.630 9.005 -4.796 769 2HB MET 103 HB1 MET 103 72.167 9.169 -5.765 770 1HG MET 103 HG2 MET 103 74.269 8.690 -7.595 771 2HG MET 103 HG1 MET 103 74.492 7.540 -6.276 772 1HE MET 103 HE2 MET 103 72.153 7.280 -5.030 773 2HE MET 103 HE1 MET 103 70.686 6.703 -5.817 774 3HE MET 103 HE3 MET 103 72.075 5.624 -5.626 775 H PHE 104 HN PHE 104 73.862 12.232 -4.239 776 HA PHE 104 HA PHE 104 71.104 13.330 -4.665 777 1HB PHE 104 HB2 PHE 104 72.775 12.572 -2.323 778 2HB PHE 104 HB1 PHE 104 71.747 13.990 -2.122 779 HD1 PHE 104 HD1 PHE 104 69.271 13.674 -3.125 780 HD2 PHE 104 HD2 PHE 104 71.849 10.496 -1.818 781 HE1 PHE 104 HE1 PHE 104 67.300 12.204 -2.813 782 HE2 PHE 104 HE2 PHE 104 69.877 9.026 -1.506 783 HZ PHE 104 HZ PHE 104 67.602 9.880 -2.003 784 H ASP 105 HN ASP 105 74.432 14.092 -4.820 785 HA ASP 105 HA ASP 105 74.566 16.776 -3.934 786 1HB ASP 105 HB2 ASP 105 76.394 15.200 -4.749 787 2HB ASP 105 HB1 ASP 105 75.899 15.608 -6.391 788 H LYS 106 HN LYS 106 72.520 17.794 -4.528 789 HA LYS 106 HA LYS 106 71.493 17.953 -7.188 790 1HB LYS 106 HB2 LYS 106 71.266 19.510 -4.630 791 2HB LYS 106 HB1 LYS 106 70.524 20.159 -6.093 792 1HG LYS 106 HG2 LYS 106 70.061 17.287 -5.362 793 2HG LYS 106 HG1 LYS 106 69.143 18.547 -4.537 794 1HD LYS 106 HD2 LYS 106 67.730 18.358 -6.314 795 2HD LYS 106 HD1 LYS 106 68.926 19.361 -7.137 796 1HE LYS 106 HE2 LYS 106 69.945 17.479 -8.184 797 2HE LYS 106 HE1 LYS 106 69.131 16.337 -7.094 798 1HZ LYS 106 HZ1 LYS 106 67.038 17.645 -8.040 799 2HZ LYS 106 HZ3 LYS 106 68.064 17.793 -9.384 800 3HZ LYS 106 HZ2 LYS 106 67.657 16.254 -8.793 801 H ASN 107 HN ASN 107 73.717 20.090 -5.386 802 HA ASN 107 HA ASN 107 74.017 21.988 -7.572 803 1HB ASN 107 HB2 ASN 107 74.390 22.698 -5.316 804 2HB ASN 107 HB1 ASN 107 75.488 21.354 -5.008 805 1HD2 ASN 107 HD22 ASN 107 77.010 24.126 -7.627 806 2HD2 ASN 107 HD21 ASN 107 75.450 23.507 -7.878 807 H ALA 108 HN ALA 108 75.308 18.881 -6.873 808 HA ALA 108 HA ALA 108 77.102 17.645 -7.817 809 1HB ALA 108 HB2 ALA 108 75.392 18.859 -9.735 810 2HB ALA 108 HB1 ALA 108 77.031 18.964 -10.379 811 3HB ALA 108 HB3 ALA 108 76.356 17.396 -9.934 812 H ASP 109 HN ASP 109 78.445 19.279 -6.313 813 HA ASP 109 HA ASP 109 80.495 20.544 -8.093 814 1HB ASP 109 HB2 ASP 109 80.511 22.481 -6.680 815 2HB ASP 109 HB1 ASP 109 78.811 22.129 -6.993 816 H GLY 110 HN GLY 110 80.030 18.055 -6.122 817 1HA GLY 110 HA2 GLY 110 81.870 16.718 -5.274 818 2HA GLY 110 HA1 GLY 110 82.794 18.200 -5.031 819 H TYR 111 HN TYR 111 80.394 19.528 -3.819 820 HA TYR 111 HA TYR 111 80.323 18.074 -1.196 821 1HB TYR 111 HB2 TYR 111 80.651 21.044 -1.736 822 2HB TYR 111 HB1 TYR 111 80.585 20.295 -0.141 823 HD1 TYR 111 HD2 TYR 111 82.456 20.019 -3.382 824 HD2 TYR 111 HD1 TYR 111 82.578 19.685 0.898 825 HE1 TYR 111 HE2 TYR 111 84.893 19.570 -3.489 826 HE2 TYR 111 HE1 TYR 111 85.016 19.236 0.793 827 HH TYR 111 HH TYR 111 86.925 19.968 -1.445 828 H ILE 112 HN ILE 112 78.479 19.121 0.207 829 HA ILE 112 HA ILE 112 76.190 19.936 -1.546 830 HB ILE 112 HB ILE 112 76.103 17.912 0.697 831 1HG1 ILE 112 HG12 ILE 112 76.711 17.749 -2.210 832 2HG1 ILE 112 HG11 ILE 112 77.224 16.687 -0.901 833 1HG2 ILE 112 HG22 ILE 112 74.099 18.735 -1.439 834 2HG2 ILE 112 HG21 ILE 112 73.850 17.466 -0.237 835 3HG2 ILE 112 HG23 ILE 112 73.998 19.149 0.273 836 1HD1 ILE 112 HD12 ILE 112 74.441 16.768 -2.086 837 2HD1 ILE 112 HD11 ILE 112 75.665 15.557 -2.472 838 3HD1 ILE 112 HD13 ILE 112 75.003 15.655 -0.839 839 H ASP 113 HN ASP 113 74.921 21.530 -0.653 840 HA ASP 113 HA ASP 113 75.702 22.524 2.059 841 1HB ASP 113 HB2 ASP 113 74.448 24.594 1.166 842 2HB ASP 113 HB1 ASP 113 75.967 24.184 0.372 843 H LEU 114 HN LEU 114 73.527 23.872 2.893 844 HA LEU 114 HA LEU 114 71.723 21.837 3.800 845 1HB LEU 114 HB2 LEU 114 72.411 24.408 4.468 846 2HB LEU 114 HB1 LEU 114 70.793 24.639 3.806 847 HG LEU 114 HG LEU 114 71.337 22.439 5.790 848 1HD1 LEU 114 HD11 LEU 114 71.701 25.185 6.326 849 2HD1 LEU 114 HD13 LEU 114 70.116 24.775 6.984 850 3HD1 LEU 114 HD12 LEU 114 71.546 23.883 7.506 851 1HD2 LEU 114 HD22 LEU 114 68.971 23.898 4.660 852 2HD2 LEU 114 HD21 LEU 114 69.201 22.167 4.906 853 3HD2 LEU 114 HD23 LEU 114 68.853 23.213 6.281 854 H GLU 115 HN GLU 115 71.391 24.340 1.268 855 HA GLU 115 HA GLU 115 68.668 23.911 0.604 856 1HB GLU 115 HB2 GLU 115 71.136 24.951 -0.712 857 2HB GLU 115 HB1 GLU 115 69.754 24.615 -1.755 858 1HG GLU 115 HG2 GLU 115 68.533 26.338 -0.904 859 2HG GLU 115 HG1 GLU 115 69.100 26.053 0.743 860 H GLU 116 HN GLU 116 71.528 22.021 -0.175 861 HA GLU 116 HA GLU 116 70.148 20.431 -2.235 862 1HB GLU 116 HB2 GLU 116 72.865 20.375 -0.897 863 2HB GLU 116 HB1 GLU 116 72.385 19.208 -2.131 864 1HG GLU 116 HG2 GLU 116 72.039 20.972 -3.755 865 2HG GLU 116 HG1 GLU 116 72.307 22.212 -2.530 866 H LEU 117 HN LEU 117 71.409 19.901 1.076 867 HA LEU 117 HA LEU 117 70.731 17.161 1.333 868 1HB LEU 117 HB2 LEU 117 72.130 18.536 2.874 869 2HB LEU 117 HB1 LEU 117 70.674 19.374 3.412 870 HG LEU 117 HG LEU 117 69.794 16.932 3.868 871 1HD1 LEU 117 HD12 LEU 117 71.897 15.966 2.794 872 2HD1 LEU 117 HD11 LEU 117 72.773 16.529 4.217 873 3HD1 LEU 117 HD13 LEU 117 71.493 15.328 4.387 874 1HD2 LEU 117 HD23 LEU 117 70.650 18.928 5.450 875 2HD2 LEU 117 HD22 LEU 117 70.204 17.350 6.098 876 3HD2 LEU 117 HD21 LEU 117 71.901 17.742 5.820 877 H LYS 118 HN LYS 118 68.761 20.082 1.726 878 HA LYS 118 HA LYS 118 66.479 18.936 2.966 879 1HB LYS 118 HB2 LYS 118 66.962 21.229 1.060 880 2HB LYS 118 HB1 LYS 118 65.353 20.895 1.701 881 1HG LYS 118 HG2 LYS 118 66.155 21.138 3.984 882 2HG LYS 118 HG1 LYS 118 67.816 21.320 3.417 883 1HD LYS 118 HD2 LYS 118 67.477 23.476 2.683 884 2HD LYS 118 HD1 LYS 118 65.782 23.186 2.289 885 1HE LYS 118 HE2 LYS 118 65.063 23.618 4.451 886 2HE LYS 118 HE1 LYS 118 66.590 23.073 5.175 887 1HZ LYS 118 HZ3 LYS 118 67.507 25.057 3.727 888 2HZ LYS 118 HZ2 LYS 118 65.930 25.649 3.950 889 3HZ LYS 118 HZ1 LYS 118 66.912 25.311 5.295 890 H ILE 119 HN ILE 119 67.545 18.927 -0.401 891 HA ILE 119 HA ILE 119 65.031 17.867 -1.452 892 HB ILE 119 HB ILE 119 67.841 18.037 -2.584 893 1HG1 ILE 119 HG12 ILE 119 65.456 19.907 -2.721 894 2HG1 ILE 119 HG11 ILE 119 67.013 20.236 -1.959 895 1HG2 ILE 119 HG23 ILE 119 65.655 16.638 -3.571 896 2HG2 ILE 119 HG22 ILE 119 65.567 18.179 -4.423 897 3HG2 ILE 119 HG21 ILE 119 67.029 17.198 -4.523 898 1HD1 ILE 119 HD13 ILE 119 67.335 19.386 -4.722 899 2HD1 ILE 119 HD12 ILE 119 66.314 20.818 -4.599 900 3HD1 ILE 119 HD11 ILE 119 67.943 20.835 -3.923 901 H MET 120 HN MET 120 68.194 16.544 -0.507 902 HA MET 120 HA MET 120 67.892 13.897 -1.490 903 1HB MET 120 HB2 MET 120 70.004 14.635 -0.683 904 2HB MET 120 HB1 MET 120 69.320 15.162 0.854 905 1HG MET 120 HG2 MET 120 68.764 12.764 1.357 906 2HG MET 120 HG1 MET 120 69.637 12.305 -0.105 907 1HE MET 120 HE1 MET 120 70.809 10.799 1.011 908 2HE MET 120 HE3 MET 120 72.339 11.428 0.386 909 3HE MET 120 HE2 MET 120 72.185 11.009 2.089 910 H LEU 121 HN LEU 121 66.799 15.370 1.562 911 HA LEU 121 HA LEU 121 65.767 12.894 2.685 912 1HB LEU 121 HB2 LEU 121 65.042 15.768 3.269 913 2HB LEU 121 HB1 LEU 121 64.861 14.400 4.363 914 HG LEU 121 HG LEU 121 67.514 15.392 3.276 915 1HD1 LEU 121 HD12 LEU 121 65.889 16.138 5.625 916 2HD1 LEU 121 HD11 LEU 121 67.567 15.742 5.993 917 3HD1 LEU 121 HD13 LEU 121 67.195 17.020 4.835 918 1HD2 LEU 121 HD22 LEU 121 66.623 13.052 4.867 919 2HD2 LEU 121 HD21 LEU 121 68.044 13.237 3.837 920 3HD2 LEU 121 HD23 LEU 121 68.053 13.886 5.477 921 H GLN 122 HN GLN 122 64.472 15.482 0.660 922 HA GLN 122 HA GLN 122 61.686 14.836 0.960 923 1HB GLN 122 HB2 GLN 122 63.405 16.601 -0.521 924 2HB GLN 122 HB1 GLN 122 62.253 15.865 -1.638 925 1HG GLN 122 HG2 GLN 122 60.393 16.511 -0.159 926 2HG GLN 122 HG1 GLN 122 61.539 17.245 0.963 927 1HE2 GLN 122 HE22 GLN 122 62.369 19.903 -1.429 928 2HE2 GLN 122 HE21 GLN 122 63.180 18.812 -0.414 929 H ALA 123 HN ALA 123 64.298 13.512 -0.953 930 HA ALA 123 HA ALA 123 62.603 11.995 -2.779 931 1HB ALA 123 HB2 ALA 123 65.437 12.482 -2.200 932 2HB ALA 123 HB1 ALA 123 65.121 10.814 -2.675 933 3HB ALA 123 HB3 ALA 123 64.657 12.138 -3.744 934 H THR 124 HN THR 124 63.580 11.659 0.493 935 HA THR 124 HA THR 124 62.517 8.862 0.517 936 HB THR 124 HB THR 124 64.461 8.440 2.179 937 HG1 THR 124 HG1 THR 124 66.240 9.954 1.260 938 1HG2 THR 124 HG21 THR 124 64.201 8.101 -0.562 939 2HG2 THR 124 HG23 THR 124 65.771 8.886 -0.396 940 3HG2 THR 124 HG22 THR 124 65.448 7.373 0.451 941 H GLY 125 HN GLY 125 61.679 11.718 1.478 942 1HA GLY 125 HA2 GLY 125 60.722 10.785 4.112 943 2HA GLY 125 HA1 GLY 125 61.720 12.239 4.125 944 H GLU 126 HN GLU 126 59.215 12.576 5.053 945 HA GLU 126 HA GLU 126 57.278 13.265 2.997 946 1HB GLU 126 HB2 GLU 126 57.435 14.160 5.889 947 2HB GLU 126 HB1 GLU 126 55.984 14.007 4.898 948 1HG GLU 126 HG2 GLU 126 57.318 11.498 4.814 949 2HG GLU 126 HG1 GLU 126 57.266 12.001 6.503 950 H THR 127 HN THR 127 56.459 15.817 4.118 951 HA THR 127 HA THR 127 58.504 17.553 2.819 952 HB THR 127 HB THR 127 56.474 19.166 2.988 953 HG1 THR 127 HG1 THR 127 54.747 18.383 3.865 954 1HG2 THR 127 HG21 THR 127 56.484 16.619 1.361 955 2HG2 THR 127 HG23 THR 127 55.314 17.912 1.094 956 3HG2 THR 127 HG22 THR 127 57.035 18.221 0.869 957 H ILE 128 HN ILE 128 59.983 17.764 4.615 958 HA ILE 128 HA ILE 128 58.951 18.784 7.193 959 HB ILE 128 HB ILE 128 61.595 17.882 6.055 960 1HG1 ILE 128 HG12 ILE 128 59.880 16.261 6.943 961 2HG1 ILE 128 HG11 ILE 128 61.425 16.203 7.793 962 1HG2 ILE 128 HG23 ILE 128 62.059 19.888 7.430 963 2HG2 ILE 128 HG22 ILE 128 61.154 19.175 8.766 964 3HG2 ILE 128 HG21 ILE 128 62.651 18.424 8.216 965 1HD1 ILE 128 HD13 ILE 128 59.717 18.194 9.000 966 2HD1 ILE 128 HD12 ILE 128 58.874 16.646 8.922 967 3HD1 ILE 128 HD11 ILE 128 60.435 16.760 9.735 968 H THR 129 HN THR 129 60.081 20.765 8.121 969 HA THR 129 HA THR 129 60.234 22.884 6.027 970 HB THR 129 HB THR 129 59.993 24.326 8.138 971 HG1 THR 129 HG1 THR 129 59.096 22.004 9.392 972 1HG2 THR 129 HG21 THR 129 58.096 23.757 6.658 973 2HG2 THR 129 HG23 THR 129 57.849 22.263 7.562 974 3HG2 THR 129 HG22 THR 129 57.596 23.821 8.349 975 H GLU 130 HN GLU 130 61.941 24.561 6.322 976 HA GLU 130 HA GLU 130 64.567 23.507 6.500 977 1HB GLU 130 HB2 GLU 130 65.135 25.989 6.694 978 2HB GLU 130 HB1 GLU 130 64.088 25.558 5.341 979 1HG GLU 130 HG2 GLU 130 62.415 26.025 7.600 980 2HG GLU 130 HG1 GLU 130 63.548 27.373 7.489 981 H ASP 131 HN ASP 131 62.370 24.449 9.009 982 HA ASP 131 HA ASP 131 64.230 25.170 11.071 983 1HB ASP 131 HB2 ASP 131 61.405 24.191 10.855 984 2HB ASP 131 HB1 ASP 131 62.157 24.239 12.450 985 H ASP 132 HN ASP 132 62.719 22.032 10.238 986 HA ASP 132 HA ASP 132 64.148 20.578 12.318 987 1HB ASP 132 HB2 ASP 132 62.299 20.039 10.039 988 2HB ASP 132 HB1 ASP 132 63.266 18.682 10.618 989 H ILE 133 HN ILE 133 64.546 20.986 8.795 990 HA ILE 133 HA ILE 133 66.858 19.218 8.642 991 HB ILE 133 HB ILE 133 65.853 21.369 6.749 992 1HG1 ILE 133 HG12 ILE 133 65.137 18.422 6.833 993 2HG1 ILE 133 HG11 ILE 133 64.106 19.701 7.476 994 1HG2 ILE 133 HG23 ILE 133 67.931 19.283 6.634 995 2HG2 ILE 133 HG22 ILE 133 66.825 19.272 5.260 996 3HG2 ILE 133 HG21 ILE 133 67.736 20.732 5.648 997 1HD1 ILE 133 HD13 ILE 133 64.142 20.783 5.210 998 2HD1 ILE 133 HD12 ILE 133 65.011 19.374 4.602 999 3HD1 ILE 133 HD11 ILE 133 63.369 19.197 5.221 1000 H GLU 134 HN GLU 134 66.482 22.257 9.979 1001 HA GLU 134 HA GLU 134 68.922 23.537 9.023 1002 1HB GLU 134 HB2 GLU 134 66.681 24.019 10.869 1003 2HB GLU 134 HB1 GLU 134 68.205 24.717 11.418 1004 1HG GLU 134 HG2 GLU 134 67.775 25.138 8.561 1005 2HG GLU 134 HG1 GLU 134 66.483 25.837 9.538 1006 H GLU 135 HN GLU 135 67.996 21.638 11.889 1007 HA GLU 135 HA GLU 135 70.631 21.927 13.143 1008 1HB GLU 135 HB2 GLU 135 68.343 20.023 13.735 1009 2HB GLU 135 HB1 GLU 135 69.620 20.520 14.847 1010 1HG GLU 135 HG2 GLU 135 68.344 22.858 13.749 1011 2HG GLU 135 HG1 GLU 135 67.119 21.784 14.426 1012 H LEU 136 HN LEU 136 69.118 19.753 10.884 1013 HA LEU 136 HA LEU 136 70.709 17.405 11.354 1014 1HB LEU 136 HB2 LEU 136 68.819 18.503 9.401 1015 2HB LEU 136 HB1 LEU 136 70.034 17.464 8.656 1016 HG LEU 136 HG LEU 136 67.973 16.242 9.454 1017 1HD1 LEU 136 HD13 LEU 136 70.205 15.149 9.164 1018 2HD1 LEU 136 HD12 LEU 136 70.551 15.485 10.861 1019 3HD1 LEU 136 HD11 LEU 136 69.232 14.396 10.429 1020 1HD2 LEU 136 HD22 LEU 136 68.555 17.757 11.810 1021 2HD2 LEU 136 HD21 LEU 136 67.209 16.650 11.534 1022 3HD2 LEU 136 HD23 LEU 136 68.723 16.047 12.208 1023 H MET 137 HN MET 137 71.104 20.151 9.093 1024 HA MET 137 HA MET 137 73.583 19.175 7.956 1025 1HB MET 137 HB2 MET 137 72.266 20.693 6.689 1026 2HB MET 137 HB1 MET 137 72.089 21.801 8.050 1027 1HG MET 137 HG2 MET 137 73.737 22.568 6.294 1028 2HG MET 137 HG1 MET 137 74.409 22.449 7.920 1029 1HE MET 137 HE3 MET 137 73.379 20.082 5.135 1030 2HE MET 137 HE2 MET 137 74.511 21.096 4.242 1031 3HE MET 137 HE1 MET 137 74.892 19.399 4.522 1032 H LYS 138 HN LYS 138 72.753 21.243 10.700 1033 HA LYS 138 HA LYS 138 75.332 22.376 11.188 1034 1HB LYS 138 HB2 LYS 138 73.110 23.043 12.161 1035 2HB LYS 138 HB1 LYS 138 73.164 21.592 13.162 1036 1HG LYS 138 HG2 LYS 138 74.265 22.862 14.677 1037 2HG LYS 138 HG1 LYS 138 75.651 22.736 13.593 1038 1HD LYS 138 HD2 LYS 138 75.357 24.858 12.740 1039 2HD LYS 138 HD1 LYS 138 73.609 24.826 12.981 1040 1HE LYS 138 HE2 LYS 138 73.787 25.769 15.042 1041 2HE LYS 138 HE1 LYS 138 75.104 24.672 15.506 1042 1HZ LYS 138 HZ3 LYS 138 76.551 25.983 13.970 1043 2HZ LYS 138 HZ2 LYS 138 75.297 27.121 13.838 1044 3HZ LYS 138 HZ1 LYS 138 76.036 26.837 15.341 1045 H ASP 139 HN ASP 139 73.771 19.573 12.805 1046 HA ASP 139 HA ASP 139 76.221 18.750 14.124 1047 1HB ASP 139 HB2 ASP 139 73.863 18.348 14.889 1048 2HB ASP 139 HB1 ASP 139 73.665 17.214 13.551 1049 H GLY 140 HN GLY 140 74.853 18.191 10.977 1050 1HA GLY 140 HA2 GLY 140 76.307 15.707 10.477 1051 2HA GLY 140 HA1 GLY 140 75.431 16.655 9.273 1052 H ASP 141 HN ASP 141 77.137 19.002 10.556 1053 HA ASP 141 HA ASP 141 79.269 18.818 8.521 1054 1HB ASP 141 HB2 ASP 141 77.673 20.810 9.546 1055 2HB ASP 141 HB1 ASP 141 79.187 21.087 10.408 1056 H LYS 142 HN LYS 142 81.104 17.718 9.122 1057 HA LYS 142 HA LYS 142 81.889 17.211 11.843 1058 1HB LYS 142 HB2 LYS 142 82.432 16.007 9.607 1059 2HB LYS 142 HB1 LYS 142 83.709 17.211 9.434 1060 1HG LYS 142 HG2 LYS 142 84.590 16.550 11.671 1061 2HG LYS 142 HG1 LYS 142 83.362 15.287 11.753 1062 1HD LYS 142 HD2 LYS 142 84.301 14.102 9.920 1063 2HD LYS 142 HD1 LYS 142 85.293 15.479 9.438 1064 1HE LYS 142 HE2 LYS 142 86.169 15.100 12.003 1065 2HE LYS 142 HE1 LYS 142 85.814 13.432 11.509 1066 1HZ LYS 142 HZ1 LYS 142 87.392 15.392 9.927 1067 2HZ LYS 142 HZ3 LYS 142 88.050 14.112 10.823 1068 3HZ LYS 142 HZ2 LYS 142 87.061 13.787 9.481 1069 H ASN 143 HN ASN 143 82.367 19.921 9.725 1070 HA ASN 143 HA ASN 143 84.217 21.132 11.750 1071 1HB ASN 143 HB2 ASN 143 85.567 21.982 9.950 1072 2HB ASN 143 HB1 ASN 143 85.289 20.276 9.600 1073 1HD2 ASN 143 HD22 ASN 143 84.453 22.562 6.628 1074 2HD2 ASN 143 HD21 ASN 143 85.774 22.597 7.694 1075 H ASN 144 HN ASN 144 81.216 21.299 10.510 1076 HA ASN 144 HA ASN 144 79.633 23.032 10.201 1077 1HB ASN 144 HB2 ASN 144 81.591 23.971 12.297 1078 2HB ASN 144 HB1 ASN 144 80.197 24.961 11.858 1079 1HD2 ASN 144 HD22 ASN 144 79.616 21.454 13.903 1080 2HD2 ASN 144 HD21 ASN 144 81.114 21.759 13.164 1081 H ASP 145 HN ASP 145 80.701 23.250 7.929 1082 HA ASP 145 HA ASP 145 81.903 25.990 7.675 1083 1HB ASP 145 HB2 ASP 145 83.254 25.103 5.889 1084 2HB ASP 145 HB1 ASP 145 83.378 23.965 7.229 1085 H GLY 146 HN GLY 146 79.394 23.808 6.718 1086 1HA GLY 146 HA2 GLY 146 77.373 24.901 5.731 1087 2HA GLY 146 HA1 GLY 146 78.472 25.805 4.690 1088 H ARG 147 HN ARG 147 80.217 23.746 3.914 1089 HA ARG 147 HA ARG 147 78.417 22.194 2.117 1090 1HB ARG 147 HB2 ARG 147 81.418 22.648 2.089 1091 2HB ARG 147 HB1 ARG 147 80.463 21.943 0.785 1092 1HG ARG 147 HG2 ARG 147 79.121 24.288 1.238 1093 2HG ARG 147 HG1 ARG 147 80.788 24.766 1.560 1094 1HD ARG 147 HD2 ARG 147 80.332 23.096 -0.870 1095 2HD ARG 147 HD1 ARG 147 79.782 24.783 -0.934 1096 HE ARG 147 HE ARG 147 82.585 23.898 -0.543 1097 1HH1 ARG 147 HH11 ARG 147 80.275 26.405 -0.138 1098 2HH1 ARG 147 HH12 ARG 147 81.385 27.679 -0.515 1099 1HH2 ARG 147 HH21 ARG 147 84.012 25.536 -1.242 1100 2HH2 ARG 147 HH22 ARG 147 83.500 27.188 -1.139 1101 H ILE 148 HN ILE 148 78.712 19.905 1.887 1102 HA ILE 148 HA ILE 148 80.234 18.592 4.111 1103 HB ILE 148 HB ILE 148 77.444 18.261 3.041 1104 1HG1 ILE 148 HG12 ILE 148 78.743 18.270 5.782 1105 2HG1 ILE 148 HG11 ILE 148 77.737 19.538 5.080 1106 1HG2 ILE 148 HG23 ILE 148 79.204 16.085 4.175 1107 2HG2 ILE 148 HG22 ILE 148 77.452 16.035 4.371 1108 3HG2 ILE 148 HG21 ILE 148 78.158 16.023 2.756 1109 1HD1 ILE 148 HD11 ILE 148 75.862 17.841 4.946 1110 2HD1 ILE 148 HD13 ILE 148 76.876 16.752 5.894 1111 3HD1 ILE 148 HD12 ILE 148 76.339 18.283 6.585 1112 H ASP 149 HN ASP 149 81.781 17.226 3.321 1113 HA ASP 149 HA ASP 149 81.621 16.405 0.458 1114 1HB ASP 149 HB2 ASP 149 84.073 15.846 0.935 1115 2HB ASP 149 HB1 ASP 149 83.636 17.550 1.048 1116 H TYR 150 HN TYR 150 83.105 14.153 0.386 1117 HA TYR 150 HA TYR 150 81.321 12.091 1.283 1118 1HB TYR 150 HB2 TYR 150 82.809 11.960 -0.679 1119 2HB TYR 150 HB1 TYR 150 84.218 12.015 0.380 1120 HD1 TYR 150 HD2 TYR 150 80.992 10.193 0.863 1121 HD2 TYR 150 HD1 TYR 150 85.216 9.887 0.135 1122 HE1 TYR 150 HE2 TYR 150 80.868 7.734 1.162 1123 HE2 TYR 150 HE1 TYR 150 85.089 7.428 0.435 1124 HH TYR 150 HH TYR 150 82.229 5.871 1.646 1125 H ASP 151 HN ASP 151 84.080 13.633 2.792 1126 HA ASP 151 HA ASP 151 84.565 11.508 4.739 1127 1HB ASP 151 HB2 ASP 151 85.364 14.423 4.902 1128 2HB ASP 151 HB1 ASP 151 86.220 13.025 5.553 1129 H GLU 152 HN GLU 152 83.431 14.889 5.171 1130 HA GLU 152 HA GLU 152 82.484 14.592 7.826 1131 1HB GLU 152 HB2 GLU 152 81.457 16.349 5.573 1132 2HB GLU 152 HB1 GLU 152 81.240 16.655 7.296 1133 1HG GLU 152 HG2 GLU 152 83.836 16.514 7.416 1134 2HG GLU 152 HG1 GLU 152 83.772 16.764 5.671 1135 H PHE 153 HN PHE 153 80.813 14.044 4.726 1136 HA PHE 153 HA PHE 153 78.183 13.633 5.728 1137 1HB PHE 153 HB2 PHE 153 78.696 13.916 3.373 1138 2HB PHE 153 HB1 PHE 153 79.703 12.469 3.376 1139 HD1 PHE 153 HD2 PHE 153 78.607 10.222 3.908 1140 HD2 PHE 153 HD1 PHE 153 76.361 13.772 3.007 1141 HE1 PHE 153 HE2 PHE 153 76.615 8.834 3.401 1142 HE2 PHE 153 HE1 PHE 153 74.370 12.383 2.500 1143 HZ PHE 153 HZ PHE 153 74.497 9.915 2.696 1144 H LEU 154 HN LEU 154 80.945 11.414 5.471 1145 HA LEU 154 HA LEU 154 79.702 8.941 5.949 1146 1HB LEU 154 HB2 LEU 154 82.315 10.170 6.115 1147 2HB LEU 154 HB1 LEU 154 82.103 9.030 7.445 1148 HG LEU 154 HG LEU 154 82.991 7.792 5.579 1149 1HD1 LEU 154 HD13 LEU 154 80.590 7.182 6.831 1150 2HD1 LEU 154 HD12 LEU 154 80.220 6.961 5.121 1151 3HD1 LEU 154 HD11 LEU 154 81.551 6.068 5.857 1152 1HD2 LEU 154 HD21 LEU 154 80.989 9.420 4.081 1153 2HD2 LEU 154 HD23 LEU 154 82.624 8.950 3.619 1154 3HD2 LEU 154 HD22 LEU 154 81.303 7.789 3.489 1155 H GLU 155 HN GLU 155 80.799 11.356 8.352 1156 HA GLU 155 HA GLU 155 79.859 9.802 10.630 1157 1HB GLU 155 HB2 GLU 155 81.102 12.435 10.034 1158 2HB GLU 155 HB1 GLU 155 80.184 12.341 11.537 1159 1HG GLU 155 HG2 GLU 155 81.493 10.162 11.984 1160 2HG GLU 155 HG1 GLU 155 82.576 10.703 10.701 1161 H PHE 156 HN PHE 156 78.688 12.768 8.991 1162 HA PHE 156 HA PHE 156 76.457 13.415 10.492 1163 1HB PHE 156 HB2 PHE 156 77.223 14.612 8.496 1164 2HB PHE 156 HB1 PHE 156 76.753 13.254 7.476 1165 HD1 PHE 156 HD1 PHE 156 74.634 13.986 10.341 1166 HD2 PHE 156 HD2 PHE 156 75.302 14.859 6.188 1167 HE1 PHE 156 HE1 PHE 156 72.338 14.906 10.165 1168 HE2 PHE 156 HE2 PHE 156 73.006 15.779 6.012 1169 HZ PHE 156 HZ PHE 156 71.524 15.802 8.001 1170 H MET 157 HN MET 157 76.780 10.686 8.245 1171 HA MET 157 HA MET 157 73.945 9.918 8.639 1172 1HB MET 157 HB2 MET 157 75.396 9.859 6.470 1173 2HB MET 157 HB1 MET 157 76.063 8.373 7.149 1174 1HG MET 157 HG2 MET 157 74.155 7.872 5.673 1175 2HG MET 157 HG1 MET 157 73.782 7.441 7.342 1176 1HE MET 157 HE3 MET 157 73.715 9.605 4.554 1177 2HE MET 157 HE2 MET 157 71.989 9.898 4.360 1178 3HE MET 157 HE1 MET 157 73.009 11.138 5.085 1179 H LYS 158 HN LYS 158 77.190 8.877 9.602 1180 HA LYS 158 HA LYS 158 76.537 6.289 10.613 1181 1HB LYS 158 HB2 LYS 158 78.789 7.563 10.204 1182 2HB LYS 158 HB1 LYS 158 78.570 8.127 11.862 1183 1HG LYS 158 HG2 LYS 158 78.672 5.945 12.748 1184 2HG LYS 158 HG1 LYS 158 78.344 5.199 11.184 1185 1HD LYS 158 HD2 LYS 158 80.740 6.877 11.140 1186 2HD LYS 158 HD1 LYS 158 80.858 5.556 12.304 1187 1HE LYS 158 HE2 LYS 158 81.201 4.084 10.620 1188 2HE LYS 158 HE1 LYS 158 79.667 4.565 9.869 1189 1HZ LYS 158 HZ3 LYS 158 82.124 6.213 9.692 1190 2HZ LYS 158 HZ2 LYS 158 81.725 5.046 8.524 1191 3HZ LYS 158 HZ1 LYS 158 80.698 6.373 8.789 1192 H GLY 159 HN GLY 159 76.147 9.512 12.009 1193 1HA GLY 159 HA2 GLY 159 74.208 8.670 13.914 1194 2HA GLY 159 HA1 GLY 159 75.770 8.760 14.727 1195 H VAL 160 HN VAL 160 73.262 10.480 14.889 1196 HA VAL 160 HA VAL 160 74.682 13.057 14.960 1197 HB VAL 160 HB VAL 160 72.243 13.549 13.529 1198 1HG1 VAL 160 HG12 VAL 160 74.607 14.707 13.654 1199 2HG1 VAL 160 HG11 VAL 160 74.957 13.678 12.266 1200 3HG1 VAL 160 HG13 VAL 160 73.632 14.839 12.190 1201 1HG2 VAL 160 HG23 VAL 160 72.507 11.159 12.766 1202 2HG2 VAL 160 HG22 VAL 160 72.605 12.337 11.456 1203 3HG2 VAL 160 HG21 VAL 160 74.077 11.602 12.092 1204 H GLU 161 HN GLU 161 71.367 11.685 14.969 1205 HA GLU 161 HA GLU 161 70.727 13.401 17.325 1206 1HB GLU 161 HB2 GLU 161 69.406 12.588 14.949 1207 2HB GLU 161 HB1 GLU 161 68.544 11.825 16.286 1208 1HG GLU 161 HG2 GLU 161 67.519 13.805 16.625 1209 2HG GLU 161 HG1 GLU 161 69.073 14.421 17.186 No H/Q in entry = 1209
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