NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
6154 | 1ijz | 5004 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H MET 1 HT1 MET 1 22.629 4.706 11.927 2 2H MET 1 HT2 MET 1 21.080 4.012 12.009 3 3H MET 1 HT3 MET 1 22.305 3.489 13.064 4 HA MET 1 HA MET 1 21.091 4.864 14.432 5 1HB MET 1 HB2 MET 1 23.132 6.649 13.061 6 2HB MET 1 HB1 MET 1 22.407 6.959 14.639 7 1HG MET 1 HG2 MET 1 24.508 5.912 15.087 8 2HG MET 1 HG1 MET 1 23.277 4.679 15.344 9 1HE MET 1 HE1 MET 1 25.990 2.925 14.715 10 2HE MET 1 HE2 MET 1 24.983 1.926 13.676 11 3HE MET 1 HE3 MET 1 24.292 2.647 15.117 12 H GLY 2 HN GLY 2 21.714 6.947 11.585 13 1HA GLY 2 HA2 GLY 2 19.269 8.435 11.993 14 2HA GLY 2 HA1 GLY 2 20.300 8.530 10.563 15 HA PRO 3 HA PRO 3 16.204 6.136 9.821 16 1HB PRO 3 HB2 PRO 3 15.835 7.915 7.578 17 2HB PRO 3 HB1 PRO 3 14.804 7.704 8.996 18 1HG PRO 3 HG2 PRO 3 16.538 9.907 8.383 19 2HG PRO 3 HG1 PRO 3 15.487 9.704 9.787 20 1HD PRO 3 HD2 PRO 3 18.347 9.613 9.737 21 2HD PRO 3 HD1 PRO 3 17.277 9.277 11.121 22 H VAL 4 HN VAL 4 15.854 4.782 7.876 23 HA VAL 4 HA VAL 4 18.361 4.131 6.574 24 HB VAL 4 HB VAL 4 16.900 2.425 5.355 25 1HG1 VAL 4 HG11 VAL 4 16.887 0.947 7.167 26 2HG1 VAL 4 HG12 VAL 4 16.435 2.196 8.323 27 3HG1 VAL 4 HG13 VAL 4 18.077 2.131 7.694 28 1HG2 VAL 4 HG21 VAL 4 14.792 3.464 7.275 29 2HG2 VAL 4 HG22 VAL 4 14.608 2.154 6.111 30 3HG2 VAL 4 HG23 VAL 4 14.824 3.810 5.550 31 HA PRO 5 HA PRO 5 17.860 6.805 3.030 32 1HB PRO 5 HB2 PRO 5 18.599 4.803 1.085 33 2HB PRO 5 HB1 PRO 5 19.546 6.173 1.672 34 1HG PRO 5 HG2 PRO 5 19.908 3.403 2.274 35 2HG PRO 5 HG1 PRO 5 20.839 4.775 2.874 36 1HD PRO 5 HD2 PRO 5 19.014 3.129 4.352 37 2HD PRO 5 HD1 PRO 5 19.902 4.568 4.916 38 HA PRO 6 HA PRO 6 13.897 5.931 1.150 39 1HB PRO 6 HB2 PRO 6 14.531 6.770 -1.497 40 2HB PRO 6 HB1 PRO 6 13.721 7.702 -0.235 41 1HG PRO 6 HG2 PRO 6 16.419 7.989 -1.253 42 2HG PRO 6 HG1 PRO 6 15.538 9.037 -0.137 43 1HD PRO 6 HD2 PRO 6 17.707 7.315 0.505 44 2HD PRO 6 HD1 PRO 6 16.662 8.205 1.642 45 H SER 7 HN SER 7 16.568 5.116 -1.084 46 HA SER 7 HA SER 7 15.138 3.128 -2.545 47 1HB SER 7 HB2 SER 7 17.285 2.431 -3.391 48 2HB SER 7 HB1 SER 7 17.337 4.183 -3.212 49 HG SER 7 HG SER 7 18.070 3.240 -0.904 50 H THR 8 HN THR 8 17.141 2.895 0.391 51 HA THR 8 HA THR 8 16.998 0.016 0.548 52 HB THR 8 HB THR 8 17.465 2.068 2.730 53 HG1 THR 8 HG1 THR 8 19.007 0.911 0.751 54 1HG2 THR 8 HG21 THR 8 17.180 -0.824 2.782 55 2HG2 THR 8 HG22 THR 8 17.346 0.306 4.126 56 3HG2 THR 8 HG23 THR 8 18.783 -0.330 3.326 57 H ALA 9 HN ALA 9 15.056 2.624 1.994 58 HA ALA 9 HA ALA 9 13.398 0.973 3.609 59 1HB ALA 9 HB1 ALA 9 12.549 3.502 2.172 60 2HB ALA 9 HB2 ALA 9 13.491 3.497 3.659 61 3HB ALA 9 HB3 ALA 9 11.857 2.837 3.651 62 H LEU 10 HN LEU 10 13.111 1.970 0.206 63 HA LEU 10 HA LEU 10 10.556 0.808 -0.210 64 1HB LEU 10 HB2 LEU 10 11.470 2.393 -1.813 65 2HB LEU 10 HB1 LEU 10 12.813 1.307 -2.191 66 HG LEU 10 HG LEU 10 11.262 -0.330 -3.134 67 1HD1 LEU 10 HD11 LEU 10 8.827 0.475 -3.426 68 2HD1 LEU 10 HD12 LEU 10 9.164 1.582 -2.104 69 3HD1 LEU 10 HD13 LEU 10 9.272 -0.162 -1.858 70 1HD2 LEU 10 HD21 LEU 10 10.140 1.985 -4.515 71 2HD2 LEU 10 HD22 LEU 10 11.308 0.793 -5.080 72 3HD2 LEU 10 HD23 LEU 10 11.835 2.175 -4.147 73 H ARG 11 HN ARG 11 13.808 -0.561 -0.870 74 HA ARG 11 HA ARG 11 12.905 -3.074 -1.857 75 1HB ARG 11 HB2 ARG 11 15.391 -2.502 -0.227 76 2HB ARG 11 HB1 ARG 11 15.135 -3.910 -1.256 77 1HG ARG 11 HG2 ARG 11 15.075 -2.570 -3.244 78 2HG ARG 11 HG1 ARG 11 15.013 -1.079 -2.314 79 1HD ARG 11 HD2 ARG 11 17.272 -1.195 -2.955 80 2HD ARG 11 HD1 ARG 11 17.313 -1.869 -1.337 81 HE ARG 11 HE ARG 11 16.904 -4.056 -3.034 82 1HH1 ARG 11 HH21 ARG 11 19.179 -1.507 -2.589 83 2HH1 ARG 11 HH22 ARG 11 20.508 -2.394 -3.257 84 1HH2 ARG 11 HH11 ARG 11 18.625 -5.230 -3.919 85 2HH2 ARG 11 HH12 ARG 11 20.194 -4.503 -4.012 86 H GLU 12 HN GLU 12 13.689 -2.024 1.452 87 HA GLU 12 HA GLU 12 13.195 -4.538 2.698 88 1HB GLU 12 HB2 GLU 12 12.960 -1.693 3.734 89 2HB GLU 12 HB1 GLU 12 12.729 -3.108 4.764 90 1HG GLU 12 HG2 GLU 12 15.044 -3.886 3.950 91 2HG GLU 12 HG1 GLU 12 15.237 -2.259 3.299 92 H LEU 13 HN LEU 13 11.054 -1.885 1.758 93 HA LEU 13 HA LEU 13 8.702 -3.011 2.992 94 1HB LEU 13 HB2 LEU 13 8.802 -0.637 2.398 95 2HB LEU 13 HB1 LEU 13 9.008 -1.045 0.698 96 HG LEU 13 HG LEU 13 6.753 -2.089 0.682 97 1HD1 LEU 13 HD11 LEU 13 5.302 -1.460 2.733 98 2HD1 LEU 13 HD12 LEU 13 6.832 -1.278 3.585 99 3HD1 LEU 13 HD13 LEU 13 6.385 -2.837 2.899 100 1HD2 LEU 13 HD21 LEU 13 7.224 0.433 0.317 101 2HD2 LEU 13 HD22 LEU 13 6.491 0.650 1.906 102 3HD2 LEU 13 HD23 LEU 13 5.555 -0.065 0.593 103 H ILE 14 HN ILE 14 9.951 -3.089 -0.387 104 HA ILE 14 HA ILE 14 7.834 -4.688 -1.438 105 HB ILE 14 HB ILE 14 10.744 -4.523 -2.311 106 1HG1 ILE 14 HG12 ILE 14 8.291 -3.287 -3.600 107 2HG1 ILE 14 HG11 ILE 14 9.229 -2.449 -2.371 108 1HG2 ILE 14 HG21 ILE 14 8.615 -6.325 -3.180 109 2HG2 ILE 14 HG22 ILE 14 10.300 -6.273 -3.682 110 3HG2 ILE 14 HG23 ILE 14 9.102 -5.281 -4.494 111 1HD1 ILE 14 HD11 ILE 14 10.050 -1.737 -4.529 112 2HD1 ILE 14 HD12 ILE 14 10.236 -3.389 -5.081 113 3HD1 ILE 14 HD13 ILE 14 11.279 -2.770 -3.806 114 H GLU 15 HN GLU 15 11.009 -5.697 -0.100 115 HA GLU 15 HA GLU 15 10.594 -8.475 -0.497 116 1HB GLU 15 HB2 GLU 15 12.170 -7.016 1.642 117 2HB GLU 15 HB1 GLU 15 12.231 -8.762 1.401 118 1HG GLU 15 HG2 GLU 15 12.875 -8.300 -1.012 119 2HG GLU 15 HG1 GLU 15 13.058 -6.606 -0.555 120 H GLU 16 HN GLU 16 9.653 -6.369 2.214 121 HA GLU 16 HA GLU 16 8.636 -8.552 3.798 122 1HB GLU 16 HB2 GLU 16 9.229 -6.381 4.803 123 2HB GLU 16 HB1 GLU 16 7.912 -5.613 3.914 124 1HG GLU 16 HG2 GLU 16 6.253 -6.770 5.129 125 2HG GLU 16 HG1 GLU 16 7.396 -7.983 5.708 126 H LEU 17 HN LEU 17 7.022 -6.223 1.582 127 HA LEU 17 HA LEU 17 4.380 -7.173 2.027 128 1HB LEU 17 HB2 LEU 17 5.639 -5.955 -0.437 129 2HB LEU 17 HB1 LEU 17 3.920 -6.309 -0.322 130 HG LEU 17 HG LEU 17 5.405 -4.562 1.662 131 1HD1 LEU 17 HD11 LEU 17 5.446 -3.620 -0.652 132 2HD1 LEU 17 HD12 LEU 17 4.487 -2.646 0.463 133 3HD1 LEU 17 HD13 LEU 17 3.685 -3.716 -0.687 134 1HD2 LEU 17 HD21 LEU 17 2.666 -3.884 1.432 135 2HD2 LEU 17 HD22 LEU 17 3.453 -4.660 2.803 136 3HD2 LEU 17 HD23 LEU 17 2.709 -5.640 1.542 137 H VAL 18 HN VAL 18 6.789 -8.193 -0.386 138 HA VAL 18 HA VAL 18 5.160 -10.130 -1.679 139 HB VAL 18 HB VAL 18 8.163 -9.982 -1.280 140 1HG1 VAL 18 HG11 VAL 18 7.639 -12.300 -1.767 141 2HG1 VAL 18 HG12 VAL 18 8.239 -11.557 -3.248 142 3HG1 VAL 18 HG13 VAL 18 6.510 -11.817 -3.035 143 1HG2 VAL 18 HG21 VAL 18 6.301 -9.254 -3.556 144 2HG2 VAL 18 HG22 VAL 18 8.058 -9.257 -3.684 145 3HG2 VAL 18 HG23 VAL 18 7.255 -8.142 -2.580 146 H ASN 19 HN ASN 19 7.491 -10.513 0.989 147 HA ASN 19 HA ASN 19 7.282 -13.254 1.427 148 1HB ASN 19 HB2 ASN 19 8.605 -11.292 2.659 149 2HB ASN 19 HB1 ASN 19 7.290 -11.468 3.818 150 1HD2 ASN 19 HD21 ASN 19 9.802 -12.146 4.733 151 2HD2 ASN 19 HD22 ASN 19 9.960 -13.831 4.862 152 H ILE 20 HN ILE 20 5.155 -10.742 2.879 153 HA ILE 20 HA ILE 20 3.555 -12.753 4.215 154 HB ILE 20 HB ILE 20 2.050 -10.872 4.790 155 1HG1 ILE 20 HG12 ILE 20 3.966 -9.073 3.299 156 2HG1 ILE 20 HG11 ILE 20 2.522 -9.675 2.524 157 1HG2 ILE 20 HG21 ILE 20 4.363 -9.462 5.552 158 2HG2 ILE 20 HG22 ILE 20 4.900 -11.120 5.328 159 3HG2 ILE 20 HG23 ILE 20 3.584 -10.767 6.443 160 1HD1 ILE 20 HD11 ILE 20 2.116 -7.459 3.499 161 2HD1 ILE 20 HD12 ILE 20 2.584 -8.055 5.088 162 3HD1 ILE 20 HD13 ILE 20 1.137 -8.681 4.305 163 H THR 21 HN THR 21 3.572 -11.654 0.975 164 HA THR 21 HA THR 21 0.715 -12.425 0.593 165 HB THR 21 HB THR 21 1.036 -11.482 -1.706 166 HG1 THR 21 HG1 THR 21 3.160 -10.016 -1.254 167 1HG2 THR 21 HG21 THR 21 1.795 -9.118 -0.377 168 2HG2 THR 21 HG22 THR 21 0.965 -10.103 0.828 169 3HG2 THR 21 HG23 THR 21 0.156 -9.692 -0.682 170 H GLN 22 HN GLN 22 3.868 -13.760 0.210 171 HA GLN 22 HA GLN 22 3.044 -15.508 -2.016 172 1HB GLN 22 HB2 GLN 22 5.567 -15.428 -0.340 173 2HB GLN 22 HB1 GLN 22 5.284 -16.623 -1.603 174 1HG GLN 22 HG2 GLN 22 4.812 -14.501 -3.107 175 2HG GLN 22 HG1 GLN 22 5.733 -13.675 -1.862 176 1HE2 GLN 22 HE21 GLN 22 6.560 -14.187 -4.668 177 2HE2 GLN 22 HE22 GLN 22 7.992 -15.094 -4.573 178 H ASN 23 HN ASN 23 3.595 -15.828 1.480 179 HA ASN 23 HA ASN 23 2.794 -18.678 1.316 180 1HB ASN 23 HB2 ASN 23 3.232 -17.462 3.980 181 2HB ASN 23 HB1 ASN 23 3.807 -18.993 3.331 182 1HD2 ASN 23 HD21 ASN 23 5.542 -17.289 4.798 183 2HD2 ASN 23 HD22 ASN 23 6.725 -16.672 3.749 184 H GLN 24 HN GLN 24 1.033 -16.006 1.180 185 HA GLN 24 HA GLN 24 -0.802 -16.540 3.405 186 1HB GLN 24 HB2 GLN 24 -2.016 -14.646 2.701 187 2HB GLN 24 HB1 GLN 24 -0.361 -14.237 2.268 188 1HG GLN 24 HG2 GLN 24 -0.854 -15.133 -0.059 189 2HG GLN 24 HG1 GLN 24 -2.551 -15.225 0.418 190 1HE2 GLN 24 HE21 GLN 24 -2.389 -13.532 -1.574 191 2HE2 GLN 24 HE22 GLN 24 -2.321 -11.907 -1.086 192 H LYS 25 HN LYS 25 -2.468 -17.966 3.315 193 HA LYS 25 HA LYS 25 -2.949 -19.389 0.772 194 1HB LYS 25 HB2 LYS 25 -2.771 -20.678 2.881 195 2HB LYS 25 HB1 LYS 25 -4.143 -19.787 3.538 196 1HG LYS 25 HG2 LYS 25 -5.600 -20.671 1.780 197 2HG LYS 25 HG1 LYS 25 -4.233 -21.502 1.039 198 1HD LYS 25 HD2 LYS 25 -3.981 -22.954 2.935 199 2HD LYS 25 HD1 LYS 25 -5.123 -22.004 3.888 200 1HE LYS 25 HE2 LYS 25 -6.895 -23.085 3.004 201 2HE LYS 25 HE1 LYS 25 -6.288 -22.877 1.362 202 1HZ LYS 25 HZ1 LYS 25 -6.012 -25.084 1.472 203 2HZ LYS 25 HZ2 LYS 25 -6.008 -25.119 3.170 204 3HZ LYS 25 HZ3 LYS 25 -4.595 -24.704 2.323 205 H ALA 26 HN ALA 26 -5.331 -18.449 3.212 206 HA ALA 26 HA ALA 26 -7.214 -17.632 1.125 207 1HB ALA 26 HB1 ALA 26 -8.008 -16.873 3.802 208 2HB ALA 26 HB2 ALA 26 -7.366 -18.515 3.813 209 3HB ALA 26 HB3 ALA 26 -8.713 -18.105 2.752 210 HA PRO 27 HA PRO 27 -6.406 -13.286 1.067 211 1HB PRO 27 HB2 PRO 27 -8.894 -12.364 2.230 212 2HB PRO 27 HB1 PRO 27 -8.366 -12.292 0.546 213 1HG PRO 27 HG2 PRO 27 -10.361 -13.982 1.649 214 2HG PRO 27 HG1 PRO 27 -9.731 -14.004 0.000 215 1HD PRO 27 HD2 PRO 27 -9.318 -15.943 2.096 216 2HD PRO 27 HD1 PRO 27 -8.728 -16.001 0.418 217 H LEU 28 HN LEU 28 -5.543 -11.662 2.448 218 HA LEU 28 HA LEU 28 -4.926 -12.383 5.130 219 1HB LEU 28 HB2 LEU 28 -4.968 -9.666 3.791 220 2HB LEU 28 HB1 LEU 28 -4.222 -9.984 5.353 221 HG LEU 28 HG LEU 28 -3.490 -11.410 2.781 222 1HD1 LEU 28 HD11 LEU 28 -1.335 -9.769 3.414 223 2HD1 LEU 28 HD12 LEU 28 -2.718 -8.789 3.873 224 3HD1 LEU 28 HD13 LEU 28 -2.587 -9.411 2.236 225 1HD2 LEU 28 HD21 LEU 28 -2.728 -11.728 5.633 226 2HD2 LEU 28 HD22 LEU 28 -1.349 -11.689 4.547 227 3HD2 LEU 28 HD23 LEU 28 -2.619 -12.871 4.306 228 H CYS 29 HN CYS 29 -7.247 -9.974 3.896 229 HA CYS 29 HA CYS 29 -8.480 -9.757 6.572 230 1HB CYS 29 HB2 CYS 29 -9.058 -8.377 3.933 231 2HB CYS 29 HB1 CYS 29 -9.954 -8.073 5.421 232 H ASN 30 HN ASN 30 -10.974 -9.904 6.597 233 HA ASN 30 HA ASN 30 -11.742 -12.516 5.633 234 1HB ASN 30 HB2 ASN 30 -13.359 -10.238 6.809 235 2HB ASN 30 HB1 ASN 30 -14.037 -11.820 6.427 236 1HD2 ASN 30 HD21 ASN 30 -14.329 -11.482 9.000 237 2HD2 ASN 30 HD22 ASN 30 -13.098 -12.179 9.939 238 H GLY 31 HN GLY 31 -10.909 -11.373 3.362 239 1HA GLY 31 HA2 GLY 31 -11.625 -11.049 1.145 240 2HA GLY 31 HA1 GLY 31 -13.270 -11.386 1.691 241 H SER 32 HN SER 32 -11.438 -8.909 3.306 242 HA SER 32 HA SER 32 -13.419 -6.910 2.820 243 1HB SER 32 HB2 SER 32 -10.512 -6.563 3.609 244 2HB SER 32 HB1 SER 32 -11.751 -5.317 3.718 245 HG SER 32 HG SER 32 -12.317 -6.176 5.538 246 H MET 33 HN MET 33 -13.361 -5.110 1.417 247 HA MET 33 HA MET 33 -11.541 -5.405 -0.949 248 1HB MET 33 HB2 MET 33 -14.361 -4.292 -0.853 249 2HB MET 33 HB1 MET 33 -13.342 -4.451 -2.277 250 1HG MET 33 HG2 MET 33 -13.318 -6.876 -2.057 251 2HG MET 33 HG1 MET 33 -14.260 -6.768 -0.570 252 1HE MET 33 HE1 MET 33 -15.547 -5.748 -4.835 253 2HE MET 33 HE2 MET 33 -14.704 -7.258 -4.505 254 3HE MET 33 HE3 MET 33 -13.929 -5.726 -4.127 255 H VAL 34 HN VAL 34 -10.873 -3.389 -1.930 256 HA VAL 34 HA VAL 34 -11.195 -0.971 -0.195 257 HB VAL 34 HB VAL 34 -8.802 -0.416 -0.863 258 1HG1 VAL 34 HG11 VAL 34 -9.447 -2.783 0.908 259 2HG1 VAL 34 HG12 VAL 34 -9.259 -1.096 1.384 260 3HG1 VAL 34 HG13 VAL 34 -7.855 -2.023 0.857 261 1HG2 VAL 34 HG21 VAL 34 -9.001 -2.430 -2.611 262 2HG2 VAL 34 HG22 VAL 34 -8.376 -3.347 -1.240 263 3HG2 VAL 34 HG23 VAL 34 -7.460 -1.984 -1.881 264 H TRP 35 HN TRP 35 -10.840 1.043 -1.373 265 HA TRP 35 HA TRP 35 -12.132 0.987 -3.961 266 1HB TRP 35 HB2 TRP 35 -10.793 3.192 -2.403 267 2HB TRP 35 HB1 TRP 35 -11.669 3.443 -3.910 268 HD1 TRP 35 HD1 TRP 35 -12.200 2.497 -0.248 269 HE1 TRP 35 HE1 TRP 35 -14.680 2.850 0.327 270 HE3 TRP 35 HE3 TRP 35 -14.058 3.384 -4.913 271 HZ2 TRP 35 HZ2 TRP 35 -17.146 3.407 -1.018 272 HZ3 TRP 35 HZ3 TRP 35 -16.479 3.792 -5.245 273 HH2 TRP 35 HH2 TRP 35 -18.025 3.815 -3.304 274 H SER 36 HN SER 36 -11.200 1.058 -5.974 275 HA SER 36 HA SER 36 -8.354 0.589 -6.228 276 1HB SER 36 HB2 SER 36 -8.756 0.389 -8.539 277 2HB SER 36 HB1 SER 36 -10.292 -0.106 -7.834 278 HG SER 36 HG SER 36 -9.584 2.419 -8.915 279 H ILE 37 HN ILE 37 -6.786 2.046 -7.102 280 HA ILE 37 HA ILE 37 -7.579 4.930 -7.209 281 HB ILE 37 HB ILE 37 -5.382 5.439 -6.067 282 1HG1 ILE 37 HG12 ILE 37 -5.463 2.575 -5.114 283 2HG1 ILE 37 HG11 ILE 37 -4.572 2.990 -6.568 284 1HG2 ILE 37 HG21 ILE 37 -6.296 5.046 -3.831 285 2HG2 ILE 37 HG22 ILE 37 -7.353 3.782 -4.454 286 3HG2 ILE 37 HG23 ILE 37 -7.611 5.459 -4.924 287 1HD1 ILE 37 HD11 ILE 37 -4.131 4.212 -3.829 288 2HD1 ILE 37 HD12 ILE 37 -3.262 4.650 -5.295 289 3HD1 ILE 37 HD13 ILE 37 -3.087 3.034 -4.617 290 H ASN 38 HN ASN 38 -5.704 6.244 -8.196 291 HA ASN 38 HA ASN 38 -4.810 4.804 -10.623 292 1HB ASN 38 HB2 ASN 38 -5.158 7.656 -9.825 293 2HB ASN 38 HB1 ASN 38 -3.889 7.305 -11.001 294 1HD2 ASN 38 HD21 ASN 38 -4.823 5.473 -12.691 295 2HD2 ASN 38 HD22 ASN 38 -6.319 5.900 -13.371 296 H LEU 39 HN LEU 39 -2.800 3.911 -10.644 297 HA LEU 39 HA LEU 39 -0.909 4.555 -8.513 298 1HB LEU 39 HB2 LEU 39 -0.729 2.711 -10.909 299 2HB LEU 39 HB1 LEU 39 0.559 2.890 -9.725 300 HG LEU 39 HG LEU 39 -0.833 0.924 -9.243 301 1HD1 LEU 39 HD11 LEU 39 -1.524 2.857 -7.043 302 2HD1 LEU 39 HD12 LEU 39 0.161 2.545 -7.429 303 3HD1 LEU 39 HD13 LEU 39 -0.890 1.218 -6.954 304 1HD2 LEU 39 HD21 LEU 39 -3.145 0.986 -8.906 305 2HD2 LEU 39 HD22 LEU 39 -2.925 2.113 -10.240 306 3HD2 LEU 39 HD23 LEU 39 -3.180 2.722 -8.611 307 H THR 40 HN THR 40 0.070 6.526 -8.728 308 HA THR 40 HA THR 40 1.581 7.035 -11.244 309 HB THR 40 HB THR 40 0.911 9.420 -11.145 310 HG1 THR 40 HG1 THR 40 -1.018 8.601 -9.255 311 1HG2 THR 40 HG21 THR 40 -0.386 7.610 -12.429 312 2HG2 THR 40 HG22 THR 40 -1.231 9.127 -12.121 313 3HG2 THR 40 HG23 THR 40 -1.575 7.709 -11.131 314 H ALA 41 HN ALA 41 1.326 9.528 -8.863 315 HA ALA 41 HA ALA 41 4.103 8.899 -7.928 316 1HB ALA 41 HB1 ALA 41 3.079 11.216 -9.073 317 2HB ALA 41 HB2 ALA 41 4.592 11.086 -8.175 318 3HB ALA 41 HB3 ALA 41 3.116 11.582 -7.348 319 H GLY 42 HN GLY 42 1.292 10.724 -6.646 320 1HA GLY 42 HA2 GLY 42 2.027 10.231 -3.907 321 2HA GLY 42 HA1 GLY 42 0.464 10.841 -4.450 322 H MET 43 HN MET 43 1.962 7.755 -5.372 323 HA MET 43 HA MET 43 -0.427 6.262 -5.005 324 1HB MET 43 HB2 MET 43 2.437 5.269 -4.890 325 2HB MET 43 HB1 MET 43 1.006 4.284 -5.199 326 1HG MET 43 HG2 MET 43 0.537 5.800 -7.172 327 2HG MET 43 HG1 MET 43 2.141 6.481 -6.935 328 1HE MET 43 HE1 MET 43 3.847 3.730 -5.986 329 2HE MET 43 HE2 MET 43 4.163 5.290 -6.743 330 3HE MET 43 HE3 MET 43 4.610 3.807 -7.580 331 H TYR 44 HN TYR 44 2.416 6.647 -2.890 332 HA TYR 44 HA TYR 44 1.626 4.892 -0.823 333 1HB TYR 44 HB2 TYR 44 3.161 7.504 -0.679 334 2HB TYR 44 HB1 TYR 44 3.050 6.347 0.647 335 HD1 TYR 44 HD1 TYR 44 4.190 4.195 0.546 336 HD2 TYR 44 HD2 TYR 44 4.401 6.965 -2.726 337 HE1 TYR 44 HE1 TYR 44 6.038 2.877 -0.446 338 HE2 TYR 44 HE2 TYR 44 6.257 5.652 -3.716 339 HH TYR 44 HH TYR 44 7.474 3.796 -3.574 340 H CYS 45 HN CYS 45 0.940 8.381 -1.180 341 HA CYS 45 HA CYS 45 -0.643 8.518 1.221 342 1HB CYS 45 HB2 CYS 45 -0.577 10.305 -1.226 343 2HB CYS 45 HB1 CYS 45 -1.437 10.691 0.265 344 H ALA 46 HN ALA 46 -1.587 8.343 -2.231 345 HA ALA 46 HA ALA 46 -4.385 8.204 -1.730 346 1HB ALA 46 HB1 ALA 46 -3.317 6.589 -3.981 347 2HB ALA 46 HB2 ALA 46 -2.889 8.299 -3.987 348 3HB ALA 46 HB3 ALA 46 -4.585 7.813 -3.981 349 H ALA 47 HN ALA 47 -1.914 5.667 -1.991 350 HA ALA 47 HA ALA 47 -3.701 3.469 -1.652 351 1HB ALA 47 HB1 ALA 47 -0.748 3.780 -1.066 352 2HB ALA 47 HB2 ALA 47 -1.487 2.984 -2.455 353 3HB ALA 47 HB3 ALA 47 -1.594 2.257 -0.851 354 H LEU 48 HN LEU 48 -1.932 5.466 0.675 355 HA LEU 48 HA LEU 48 -2.475 3.899 2.961 356 1HB LEU 48 HB2 LEU 48 -0.858 5.740 2.958 357 2HB LEU 48 HB1 LEU 48 -2.160 6.905 2.742 358 HG LEU 48 HG LEU 48 -3.120 6.242 4.931 359 1HD1 LEU 48 HD11 LEU 48 -2.542 3.995 5.271 360 2HD1 LEU 48 HD12 LEU 48 -1.451 4.792 6.384 361 3HD1 LEU 48 HD13 LEU 48 -0.861 4.250 4.815 362 1HD2 LEU 48 HD21 LEU 48 -1.772 8.095 5.224 363 2HD2 LEU 48 HD22 LEU 48 -0.331 7.288 4.621 364 3HD2 LEU 48 HD23 LEU 48 -0.889 6.983 6.259 365 H GLU 49 HN GLU 49 -4.310 6.775 1.802 366 HA GLU 49 HA GLU 49 -6.328 6.623 3.771 367 1HB GLU 49 HB2 GLU 49 -7.795 7.785 2.071 368 2HB GLU 49 HB1 GLU 49 -6.245 8.568 2.371 369 1HG GLU 49 HG2 GLU 49 -5.307 7.630 0.349 370 2HG GLU 49 HG1 GLU 49 -6.745 6.642 0.087 371 H SER 50 HN SER 50 -5.979 4.798 0.762 372 HA SER 50 HA SER 50 -8.631 3.689 0.806 373 1HB SER 50 HB2 SER 50 -6.114 2.399 -0.296 374 2HB SER 50 HB1 SER 50 -7.773 2.047 -0.768 375 HG SER 50 HG SER 50 -7.260 3.503 -2.241 376 H LEU 51 HN LEU 51 -5.536 2.616 2.206 377 HA LEU 51 HA LEU 51 -6.557 0.116 3.236 378 1HB LEU 51 HB2 LEU 51 -4.161 1.802 4.008 379 2HB LEU 51 HB1 LEU 51 -4.479 0.202 4.673 380 HG LEU 51 HG LEU 51 -4.207 0.803 1.709 381 1HD1 LEU 51 HD11 LEU 51 -2.198 -0.578 3.499 382 2HD1 LEU 51 HD12 LEU 51 -2.108 1.136 3.093 383 3HD1 LEU 51 HD13 LEU 51 -1.984 -0.079 1.821 384 1HD2 LEU 51 HD21 LEU 51 -5.353 -1.202 1.719 385 2HD2 LEU 51 HD22 LEU 51 -4.767 -1.661 3.317 386 3HD2 LEU 51 HD23 LEU 51 -3.717 -1.823 1.912 387 H ILE 52 HN ILE 52 -6.368 3.397 4.497 388 HA ILE 52 HA ILE 52 -6.911 2.904 7.223 389 HB ILE 52 HB ILE 52 -7.686 5.169 5.373 390 1HG1 ILE 52 HG12 ILE 52 -5.287 4.909 5.815 391 2HG1 ILE 52 HG11 ILE 52 -5.890 6.385 6.537 392 1HG2 ILE 52 HG21 ILE 52 -8.453 4.736 8.205 393 2HG2 ILE 52 HG22 ILE 52 -9.251 5.652 6.935 394 3HG2 ILE 52 HG23 ILE 52 -7.872 6.345 7.782 395 1HD1 ILE 52 HD11 ILE 52 -6.169 4.629 8.626 396 2HD1 ILE 52 HD12 ILE 52 -4.756 5.640 8.366 397 3HD1 ILE 52 HD13 ILE 52 -4.758 3.969 7.809 398 H ASN 53 HN ASN 53 -8.895 2.349 4.474 399 HA ASN 53 HA ASN 53 -11.423 2.470 5.973 400 1HB ASN 53 HB2 ASN 53 -10.800 1.399 3.200 401 2HB ASN 53 HB1 ASN 53 -12.417 1.593 3.877 402 1HD2 ASN 53 HD21 ASN 53 -13.399 3.593 3.507 403 2HD2 ASN 53 HD22 ASN 53 -12.577 5.002 3.039 404 H VAL 54 HN VAL 54 -8.909 0.186 5.444 405 HA VAL 54 HA VAL 54 -10.655 -2.139 5.990 406 HB VAL 54 HB VAL 54 -7.639 -2.021 5.666 407 1HG1 VAL 54 HG11 VAL 54 -8.191 -4.487 4.948 408 2HG1 VAL 54 HG12 VAL 54 -9.653 -4.244 5.901 409 3HG1 VAL 54 HG13 VAL 54 -8.069 -4.090 6.661 410 1HG2 VAL 54 HG21 VAL 54 -8.029 -2.702 3.357 411 2HG2 VAL 54 HG22 VAL 54 -8.894 -1.199 3.681 412 3HG2 VAL 54 HG23 VAL 54 -9.772 -2.728 3.631 413 H SER 55 HN SER 55 -11.063 -2.737 8.052 414 HA SER 55 HA SER 55 -9.051 -2.083 10.178 415 1HB SER 55 HB2 SER 55 -12.065 -1.829 10.268 416 2HB SER 55 HB1 SER 55 -11.048 -1.799 11.706 417 HG SER 55 HG SER 55 -10.717 -0.090 9.462 418 H GLY 56 HN GLY 56 -8.763 -3.674 11.754 419 1HA GLY 56 HA2 GLY 56 -9.342 -5.714 12.913 420 2HA GLY 56 HA1 GLY 56 -10.436 -6.126 11.594 421 H CYS 57 HN CYS 57 -7.667 -4.982 10.190 422 HA CYS 57 HA CYS 57 -6.568 -7.749 9.850 423 1HB CYS 57 HB2 CYS 57 -6.369 -5.348 8.012 424 2HB CYS 57 HB1 CYS 57 -5.706 -6.951 7.691 425 H SER 58 HN SER 58 -5.048 -7.724 11.554 426 HA SER 58 HA SER 58 -3.243 -5.485 11.967 427 1HB SER 58 HB2 SER 58 -3.758 -6.987 13.822 428 2HB SER 58 HB1 SER 58 -3.118 -8.361 12.925 429 HG SER 58 HG SER 58 -1.504 -6.101 13.309 430 H ALA 59 HN ALA 59 -3.176 -8.439 10.074 431 HA ALA 59 HA ALA 59 -0.438 -8.730 9.573 432 1HB ALA 59 HB1 ALA 59 -1.795 -9.111 7.095 433 2HB ALA 59 HB2 ALA 59 -2.883 -9.629 8.382 434 3HB ALA 59 HB3 ALA 59 -1.275 -10.340 8.247 435 H ILE 60 HN ILE 60 -2.590 -6.206 8.469 436 HA ILE 60 HA ILE 60 -0.439 -5.138 6.679 437 HB ILE 60 HB ILE 60 -2.209 -3.798 5.621 438 1HG1 ILE 60 HG12 ILE 60 -4.084 -5.278 7.492 439 2HG1 ILE 60 HG11 ILE 60 -3.681 -3.571 7.622 440 1HG2 ILE 60 HG21 ILE 60 -1.677 -6.305 5.069 441 2HG2 ILE 60 HG22 ILE 60 -3.099 -5.550 4.353 442 3HG2 ILE 60 HG23 ILE 60 -3.274 -6.610 5.750 443 1HD1 ILE 60 HD11 ILE 60 -5.761 -3.699 6.436 444 2HD1 ILE 60 HD12 ILE 60 -5.134 -4.939 5.351 445 3HD1 ILE 60 HD13 ILE 60 -4.520 -3.289 5.253 446 H GLU 61 HN GLU 61 -1.542 -4.739 9.788 447 HA GLU 61 HA GLU 61 -1.841 -1.930 10.069 448 1HB GLU 61 HB2 GLU 61 -1.259 -4.186 11.833 449 2HB GLU 61 HB1 GLU 61 -0.435 -2.716 12.346 450 1HG GLU 61 HG2 GLU 61 -2.580 -1.488 12.252 451 2HG GLU 61 HG1 GLU 61 -3.402 -2.974 11.772 452 H LYS 62 HN LYS 62 1.111 -3.911 10.284 453 HA LYS 62 HA LYS 62 2.940 -1.768 10.679 454 1HB LYS 62 HB2 LYS 62 3.309 -4.453 9.313 455 2HB LYS 62 HB1 LYS 62 4.630 -3.383 9.791 456 1HG LYS 62 HG2 LYS 62 3.892 -3.493 12.133 457 2HG LYS 62 HG1 LYS 62 2.553 -4.544 11.673 458 1HD LYS 62 HD2 LYS 62 4.186 -6.212 10.823 459 2HD LYS 62 HD1 LYS 62 5.504 -5.170 11.361 460 1HE LYS 62 HE2 LYS 62 4.726 -5.334 13.678 461 2HE LYS 62 HE1 LYS 62 3.348 -6.306 13.164 462 1HZ LYS 62 HZ1 LYS 62 4.630 -8.079 13.387 463 2HZ LYS 62 HZ2 LYS 62 6.001 -7.127 13.702 464 3HZ LYS 62 HZ3 LYS 62 5.587 -7.522 12.102 465 H THR 63 HN THR 63 1.600 -3.212 7.728 466 HA THR 63 HA THR 63 3.227 -1.899 5.815 467 HB THR 63 HB THR 63 0.263 -2.526 5.573 468 HG1 THR 63 HG1 THR 63 2.472 -4.149 4.879 469 1HG2 THR 63 HG21 THR 63 1.497 -1.115 3.753 470 2HG2 THR 63 HG22 THR 63 0.565 -2.514 3.238 471 3HG2 THR 63 HG23 THR 63 2.318 -2.624 3.373 472 H GLN 64 HN GLN 64 0.226 -0.804 7.414 473 HA GLN 64 HA GLN 64 -0.038 1.621 5.956 474 1HB GLN 64 HB2 GLN 64 -0.805 0.985 8.816 475 2HB GLN 64 HB1 GLN 64 -1.339 2.417 7.934 476 1HG GLN 64 HG2 GLN 64 -2.336 0.923 6.196 477 2HG GLN 64 HG1 GLN 64 -1.888 -0.469 7.183 478 1HE2 GLN 64 HE21 GLN 64 -4.640 0.597 6.450 479 2HE2 GLN 64 HE22 GLN 64 -5.425 0.827 7.937 480 H ARG 65 HN ARG 65 1.831 0.839 8.872 481 HA ARG 65 HA ARG 65 2.724 3.504 9.401 482 1HB ARG 65 HB2 ARG 65 3.509 0.773 10.218 483 2HB ARG 65 HB1 ARG 65 4.797 1.975 10.296 484 1HG ARG 65 HG2 ARG 65 3.330 3.443 11.653 485 2HG ARG 65 HG1 ARG 65 2.067 2.211 11.601 486 1HD ARG 65 HD2 ARG 65 3.058 1.595 13.583 487 2HD ARG 65 HD1 ARG 65 4.100 0.689 12.485 488 HE ARG 65 HE ARG 65 5.326 3.170 12.673 489 1HH1 ARG 65 HH21 ARG 65 4.203 0.749 14.852 490 2HH1 ARG 65 HH22 ARG 65 5.390 1.100 16.064 491 1HH2 ARG 65 HH11 ARG 65 6.882 3.645 14.241 492 2HH2 ARG 65 HH12 ARG 65 6.908 2.740 15.718 493 H MET 66 HN MET 66 4.334 0.852 7.585 494 HA MET 66 HA MET 66 6.626 2.384 6.879 495 1HB MET 66 HB2 MET 66 5.291 0.058 5.467 496 2HB MET 66 HB1 MET 66 6.837 0.738 4.961 497 1HG MET 66 HG2 MET 66 7.656 0.343 7.348 498 2HG MET 66 HG1 MET 66 6.183 -0.590 7.604 499 1HE MET 66 HE1 MET 66 6.487 -3.699 5.534 500 2HE MET 66 HE2 MET 66 5.489 -2.267 5.308 501 3HE MET 66 HE3 MET 66 5.772 -2.886 6.932 502 H LEU 67 HN LEU 67 3.479 2.047 5.255 503 HA LEU 67 HA LEU 67 4.159 3.547 2.916 504 1HB LEU 67 HB2 LEU 67 1.505 3.210 4.340 505 2HB LEU 67 HB1 LEU 67 1.677 3.975 2.765 506 HG LEU 67 HG LEU 67 2.608 1.147 3.360 507 1HD1 LEU 67 HD11 LEU 67 0.561 0.402 2.230 508 2HD1 LEU 67 HD12 LEU 67 0.049 2.077 2.029 509 3HD1 LEU 67 HD13 LEU 67 0.157 1.375 3.641 510 1HD2 LEU 67 HD21 LEU 67 2.284 1.055 0.780 511 2HD2 LEU 67 HD22 LEU 67 3.721 1.858 1.395 512 3HD2 LEU 67 HD23 LEU 67 2.338 2.811 0.855 513 H SER 68 HN SER 68 2.964 4.544 6.105 514 HA SER 68 HA SER 68 2.543 7.287 5.512 515 1HB SER 68 HB2 SER 68 3.372 5.898 8.065 516 2HB SER 68 HB1 SER 68 3.048 7.627 7.989 517 HG SER 68 HG SER 68 1.306 5.715 8.302 518 H GLY 69 HN GLY 69 5.498 5.520 6.341 519 1HA GLY 69 HA2 GLY 69 7.260 7.653 6.806 520 2HA GLY 69 HA1 GLY 69 7.742 6.153 6.011 521 H PHE 70 HN PHE 70 5.834 6.571 3.780 522 HA PHE 70 HA PHE 70 7.495 8.488 2.225 523 1HB PHE 70 HB2 PHE 70 5.420 6.438 1.385 524 2HB PHE 70 HB1 PHE 70 6.292 7.485 0.267 525 HD1 PHE 70 HD1 PHE 70 8.666 7.163 -0.178 526 HD2 PHE 70 HD2 PHE 70 6.560 4.639 2.585 527 HE1 PHE 70 HE1 PHE 70 10.552 5.556 -0.212 528 HE2 PHE 70 HE2 PHE 70 8.446 3.030 2.554 529 HZ PHE 70 HZ PHE 70 10.440 3.486 1.153 530 H CYS 71 HN CYS 71 4.643 8.447 3.954 531 HA CYS 71 HA CYS 71 3.548 10.775 2.427 532 1HB CYS 71 HB2 CYS 71 2.319 8.624 1.976 533 2HB CYS 71 HB1 CYS 71 1.888 8.589 3.684 534 HA PRO 72 HA PRO 72 4.241 11.720 6.964 535 1HB PRO 72 HB2 PRO 72 4.289 14.501 6.151 536 2HB PRO 72 HB1 PRO 72 5.566 13.524 6.882 537 1HG PRO 72 HG2 PRO 72 5.496 14.440 4.237 538 2HG PRO 72 HG1 PRO 72 6.581 13.207 4.886 539 1HD PRO 72 HD2 PRO 72 4.293 12.885 3.088 540 2HD PRO 72 HD1 PRO 72 5.567 11.710 3.499 541 H HIS 73 HN HIS 73 1.711 12.824 4.788 542 HA HIS 73 HA HIS 73 0.293 14.167 7.024 543 1HB HIS 73 HB2 HIS 73 -1.217 15.024 5.462 544 2HB HIS 73 HB1 HIS 73 0.296 14.992 4.563 545 HD1 HIS 73 HD1 HIS 73 -3.070 13.358 4.763 546 HD2 HIS 73 HD2 HIS 73 0.425 13.033 2.520 547 HE1 HIS 73 HE1 HIS 73 -3.640 11.916 2.757 548 H LYS 74 HN LYS 74 -0.901 13.027 8.361 549 HA LYS 74 HA LYS 74 -1.567 10.245 7.903 550 1HB LYS 74 HB2 LYS 74 -2.565 12.140 10.053 551 2HB LYS 74 HB1 LYS 74 -2.597 10.377 10.110 552 1HG LYS 74 HG2 LYS 74 -0.174 10.271 10.107 553 2HG LYS 74 HG1 LYS 74 -0.057 12.013 9.860 554 1HD LYS 74 HD2 LYS 74 -1.180 12.391 12.031 555 2HD LYS 74 HD1 LYS 74 -1.252 10.647 12.288 556 1HE LYS 74 HE2 LYS 74 1.157 10.483 12.323 557 2HE LYS 74 HE1 LYS 74 1.327 12.165 11.823 558 1HZ LYS 74 HZ1 LYS 74 1.599 11.693 14.268 559 2HZ LYS 74 HZ2 LYS 74 -0.071 11.383 14.312 560 3HZ LYS 74 HZ3 LYS 74 0.500 12.921 13.867 561 H VAL 75 HN VAL 75 -3.767 9.385 7.901 562 HA VAL 75 HA VAL 75 -5.851 11.306 6.942 563 HB VAL 75 HB VAL 75 -5.335 8.543 5.815 564 1HG1 VAL 75 HG11 VAL 75 -7.354 8.772 4.847 565 2HG1 VAL 75 HG12 VAL 75 -6.878 10.327 4.163 566 3HG1 VAL 75 HG13 VAL 75 -7.592 10.253 5.771 567 1HG2 VAL 75 HG21 VAL 75 -3.522 9.998 5.150 568 2HG2 VAL 75 HG22 VAL 75 -4.644 11.307 4.783 569 3HG2 VAL 75 HG23 VAL 75 -4.619 9.859 3.776 570 H SER 76 HN SER 76 -7.753 11.094 8.025 571 HA SER 76 HA SER 76 -8.042 8.807 9.900 572 1HB SER 76 HB2 SER 76 -9.728 10.128 11.003 573 2HB SER 76 HB1 SER 76 -8.364 11.191 10.678 574 HG SER 76 HG SER 76 -10.285 12.183 10.037 575 H ALA 77 HN ALA 77 -10.260 7.836 10.075 576 HA ALA 77 HA ALA 77 -11.152 6.846 7.540 577 1HB ALA 77 HB1 ALA 77 -12.773 5.627 8.768 578 2HB ALA 77 HB2 ALA 77 -12.795 6.818 10.069 579 3HB ALA 77 HB3 ALA 77 -11.395 5.766 9.859 580 H GLY 78 HN GLY 78 -11.542 9.863 8.769 581 1HA GLY 78 HA2 GLY 78 -14.241 10.250 7.522 582 2HA GLY 78 HA1 GLY 78 -13.558 11.298 8.762 583 H GLN 79 HN GLN 79 -10.871 11.267 7.506 584 HA GLN 79 HA GLN 79 -11.437 13.339 5.464 585 1HB GLN 79 HB2 GLN 79 -8.798 12.472 6.665 586 2HB GLN 79 HB1 GLN 79 -9.078 13.898 5.668 587 1HG GLN 79 HG2 GLN 79 -10.982 14.058 7.731 588 2HG GLN 79 HG1 GLN 79 -9.494 13.548 8.522 589 1HE2 GLN 79 HE21 GLN 79 -10.821 16.217 8.684 590 2HE2 GLN 79 HE22 GLN 79 -9.674 17.340 8.131 591 H PHE 80 HN PHE 80 -11.254 12.909 3.330 592 HA PHE 80 HA PHE 80 -9.573 10.589 2.465 593 1HB PHE 80 HB2 PHE 80 -12.332 11.335 1.492 594 2HB PHE 80 HB1 PHE 80 -11.296 10.108 0.773 595 HD1 PHE 80 HD1 PHE 80 -13.788 10.716 3.223 596 HD2 PHE 80 HD2 PHE 80 -10.334 8.298 2.416 597 HE1 PHE 80 HE1 PHE 80 -14.575 9.044 4.878 598 HE2 PHE 80 HE2 PHE 80 -11.118 6.623 4.069 599 HZ PHE 80 HZ PHE 80 -13.239 6.995 5.298 600 H SER 81 HN SER 81 -8.585 10.824 0.396 601 HA SER 81 HA SER 81 -8.697 13.594 -0.747 602 1HB SER 81 HB2 SER 81 -6.278 11.785 -0.650 603 2HB SER 81 HB1 SER 81 -6.335 13.444 -1.239 604 HG SER 81 HG SER 81 -7.324 13.673 1.083 605 H SER 82 HN SER 82 -7.828 10.207 -1.608 606 HA SER 82 HA SER 82 -8.255 10.882 -4.460 607 1HB SER 82 HB2 SER 82 -6.279 9.520 -3.586 608 2HB SER 82 HB1 SER 82 -7.425 8.205 -3.347 609 HG SER 82 HG SER 82 -7.678 8.022 -5.471 610 H LEU 83 HN LEU 83 -10.237 9.710 -2.003 611 HA LEU 83 HA LEU 83 -11.674 7.787 -3.711 612 1HB LEU 83 HB2 LEU 83 -12.174 8.825 -0.929 613 2HB LEU 83 HB1 LEU 83 -13.237 7.693 -1.731 614 HG LEU 83 HG LEU 83 -10.558 6.709 -2.031 615 1HD1 LEU 83 HD11 LEU 83 -10.236 8.125 0.103 616 2HD1 LEU 83 HD12 LEU 83 -9.781 6.424 0.154 617 3HD1 LEU 83 HD13 LEU 83 -11.313 6.939 0.848 618 1HD2 LEU 83 HD21 LEU 83 -12.626 5.434 -2.095 619 2HD2 LEU 83 HD22 LEU 83 -12.916 5.784 -0.393 620 3HD2 LEU 83 HD23 LEU 83 -11.525 4.807 -0.870 621 H HIS 84 HN HIS 84 -11.519 10.655 -4.512 622 HA HIS 84 HA HIS 84 -14.232 11.693 -4.149 623 1HB HIS 84 HB2 HIS 84 -12.115 12.594 -6.124 624 2HB HIS 84 HB1 HIS 84 -13.513 13.518 -5.566 625 HD1 HIS 84 HD1 HIS 84 -12.668 11.955 -2.621 626 HD2 HIS 84 HD2 HIS 84 -10.739 14.944 -4.792 627 HE1 HIS 84 HE1 HIS 84 -11.130 13.132 -1.005 628 H VAL 85 HN VAL 85 -12.437 9.919 -6.602 629 HA VAL 85 HA VAL 85 -14.563 10.098 -8.601 630 HB VAL 85 HB VAL 85 -12.990 7.956 -9.354 631 1HG1 VAL 85 HG11 VAL 85 -12.847 10.909 -9.896 632 2HG1 VAL 85 HG12 VAL 85 -13.209 9.577 -10.995 633 3HG1 VAL 85 HG13 VAL 85 -11.550 9.876 -10.487 634 1HG2 VAL 85 HG21 VAL 85 -11.188 9.909 -7.901 635 2HG2 VAL 85 HG22 VAL 85 -10.693 8.459 -8.773 636 3HG2 VAL 85 HG23 VAL 85 -11.624 8.316 -7.282 637 H ARG 86 HN ARG 86 -15.904 8.333 -9.274 638 HA ARG 86 HA ARG 86 -16.608 6.549 -7.021 639 1HB ARG 86 HB2 ARG 86 -17.981 7.095 -9.667 640 2HB ARG 86 HB1 ARG 86 -18.613 6.032 -8.410 641 1HG ARG 86 HG2 ARG 86 -18.451 8.020 -6.823 642 2HG ARG 86 HG1 ARG 86 -18.153 9.017 -8.249 643 1HD ARG 86 HD2 ARG 86 -20.307 7.829 -9.178 644 2HD ARG 86 HD1 ARG 86 -20.635 7.514 -7.475 645 HE ARG 86 HE ARG 86 -20.049 10.229 -7.566 646 1HH1 ARG 86 HH21 ARG 86 -22.210 8.047 -9.129 647 2HH1 ARG 86 HH22 ARG 86 -23.438 9.240 -9.394 648 1HH2 ARG 86 HH11 ARG 86 -21.638 11.805 -7.907 649 2HH2 ARG 86 HH12 ARG 86 -23.114 11.368 -8.702 650 H ASP 87 HN ASP 87 -14.403 5.440 -7.606 651 HA ASP 87 HA ASP 87 -14.517 3.661 -9.941 652 1HB ASP 87 HB2 ASP 87 -12.563 4.010 -7.659 653 2HB ASP 87 HB1 ASP 87 -12.414 2.693 -8.822 654 H THR 88 HN THR 88 -14.093 1.231 -9.456 655 HA THR 88 HA THR 88 -16.154 0.355 -7.508 656 HB THR 88 HB THR 88 -15.365 -1.949 -8.631 657 HG1 THR 88 HG1 THR 88 -14.823 -1.375 -10.864 658 1HG2 THR 88 HG21 THR 88 -17.519 -1.676 -9.269 659 2HG2 THR 88 HG22 THR 88 -16.856 -0.983 -10.745 660 3HG2 THR 88 HG23 THR 88 -17.359 0.072 -9.433 661 H LYS 89 HN LYS 89 -15.674 -1.298 -5.948 662 HA LYS 89 HA LYS 89 -13.001 -0.985 -4.794 663 1HB LYS 89 HB2 LYS 89 -15.330 -2.694 -3.880 664 2HB LYS 89 HB1 LYS 89 -13.877 -2.332 -2.958 665 1HG LYS 89 HG2 LYS 89 -14.417 0.050 -2.967 666 2HG LYS 89 HG1 LYS 89 -15.876 -0.283 -3.905 667 1HD LYS 89 HD2 LYS 89 -16.724 -1.723 -2.088 668 2HD LYS 89 HD1 LYS 89 -15.269 -1.393 -1.146 669 1HE LYS 89 HE2 LYS 89 -15.850 0.840 -0.791 670 2HE LYS 89 HE1 LYS 89 -16.951 0.871 -2.168 671 1HZ LYS 89 HZ1 LYS 89 -18.331 0.782 -0.323 672 2HZ LYS 89 HZ2 LYS 89 -17.351 -0.343 0.490 673 3HZ LYS 89 HZ3 LYS 89 -18.277 -0.830 -0.848 674 H ILE 90 HN ILE 90 -11.544 -2.731 -4.390 675 HA ILE 90 HA ILE 90 -12.016 -5.212 -5.997 676 HB ILE 90 HB ILE 90 -9.618 -5.152 -6.650 677 1HG1 ILE 90 HG12 ILE 90 -9.652 -2.370 -5.421 678 2HG1 ILE 90 HG11 ILE 90 -8.850 -3.762 -4.703 679 1HG2 ILE 90 HG21 ILE 90 -10.280 -2.541 -7.675 680 2HG2 ILE 90 HG22 ILE 90 -11.742 -3.524 -7.601 681 3HG2 ILE 90 HG23 ILE 90 -10.339 -4.096 -8.503 682 1HD1 ILE 90 HD11 ILE 90 -7.070 -3.558 -6.060 683 2HD1 ILE 90 HD12 ILE 90 -7.714 -1.981 -6.509 684 3HD1 ILE 90 HD13 ILE 90 -8.079 -3.395 -7.495 685 H GLU 91 HN GLU 91 -10.714 -7.067 -5.219 686 HA GLU 91 HA GLU 91 -10.822 -7.322 -2.366 687 1HB GLU 91 HB2 GLU 91 -9.407 -9.004 -4.457 688 2HB GLU 91 HB1 GLU 91 -9.593 -9.473 -2.766 689 1HG GLU 91 HG2 GLU 91 -12.081 -9.224 -3.042 690 2HG GLU 91 HG1 GLU 91 -11.812 -8.960 -4.765 691 H VAL 92 HN VAL 92 -9.161 -7.204 -0.802 692 HA VAL 92 HA VAL 92 -7.056 -5.368 -1.251 693 HB VAL 92 HB VAL 92 -7.271 -7.578 0.813 694 1HG1 VAL 92 HG11 VAL 92 -5.127 -5.620 0.196 695 2HG1 VAL 92 HG12 VAL 92 -5.030 -7.172 1.020 696 3HG1 VAL 92 HG13 VAL 92 -5.552 -5.744 1.900 697 1HG2 VAL 92 HG21 VAL 92 -7.794 -5.502 2.280 698 2HG2 VAL 92 HG22 VAL 92 -9.025 -5.999 1.137 699 3HG2 VAL 92 HG23 VAL 92 -7.990 -4.630 0.760 700 H ALA 93 HN ALA 93 -7.037 -8.922 -1.407 701 HA ALA 93 HA ALA 93 -4.309 -9.403 -1.744 702 1HB ALA 93 HB1 ALA 93 -6.083 -10.832 -3.646 703 2HB ALA 93 HB2 ALA 93 -6.531 -10.943 -1.944 704 3HB ALA 93 HB3 ALA 93 -4.936 -11.479 -2.473 705 H GLN 94 HN GLN 94 -6.633 -8.267 -4.206 706 HA GLN 94 HA GLN 94 -4.629 -8.225 -6.318 707 1HB GLN 94 HB2 GLN 94 -7.435 -7.193 -6.033 708 2HB GLN 94 HB1 GLN 94 -6.437 -6.636 -7.377 709 1HG GLN 94 HG2 GLN 94 -6.028 -8.972 -8.043 710 2HG GLN 94 HG1 GLN 94 -7.031 -9.529 -6.703 711 1HE2 GLN 94 HE21 GLN 94 -7.488 -9.835 -9.671 712 2HE2 GLN 94 HE22 GLN 94 -9.009 -9.139 -9.961 713 H PHE 95 HN PHE 95 -5.945 -5.877 -4.048 714 HA PHE 95 HA PHE 95 -4.797 -3.532 -5.159 715 1HB PHE 95 HB2 PHE 95 -6.450 -3.504 -3.340 716 2HB PHE 95 HB1 PHE 95 -5.275 -4.250 -2.257 717 HD1 PHE 95 HD1 PHE 95 -6.329 -1.164 -3.886 718 HD2 PHE 95 HD2 PHE 95 -3.219 -3.052 -1.606 719 HE1 PHE 95 HE1 PHE 95 -5.372 1.054 -3.345 720 HE2 PHE 95 HE2 PHE 95 -2.264 -0.831 -1.069 721 HZ PHE 95 HZ PHE 95 -3.345 1.206 -1.948 722 H VAL 96 HN VAL 96 -3.502 -5.783 -2.706 723 HA VAL 96 HA VAL 96 -1.020 -4.424 -2.333 724 HB VAL 96 HB VAL 96 -1.632 -7.386 -2.090 725 1HG1 VAL 96 HG11 VAL 96 0.724 -7.173 -2.088 726 2HG1 VAL 96 HG12 VAL 96 0.290 -7.167 -0.379 727 3HG1 VAL 96 HG13 VAL 96 0.670 -5.652 -1.197 728 1HG2 VAL 96 HG21 VAL 96 -2.549 -6.966 -0.048 729 2HG2 VAL 96 HG22 VAL 96 -2.809 -5.348 -0.699 730 3HG2 VAL 96 HG23 VAL 96 -1.401 -5.677 0.311 731 H LYS 97 HN LYS 97 -1.869 -7.185 -4.436 732 HA LYS 97 HA LYS 97 0.694 -7.493 -5.617 733 1HB LYS 97 HB2 LYS 97 -2.068 -8.057 -6.726 734 2HB LYS 97 HB1 LYS 97 -0.569 -8.574 -7.502 735 1HG LYS 97 HG2 LYS 97 0.057 -9.839 -5.493 736 2HG LYS 97 HG1 LYS 97 -1.416 -9.303 -4.686 737 1HD LYS 97 HD2 LYS 97 -2.730 -10.378 -6.557 738 2HD LYS 97 HD1 LYS 97 -1.215 -11.056 -7.151 739 1HE LYS 97 HE2 LYS 97 -1.379 -11.607 -4.348 740 2HE LYS 97 HE1 LYS 97 -2.910 -12.072 -5.087 741 1HZ LYS 97 HZ1 LYS 97 -0.375 -12.817 -6.376 742 2HZ LYS 97 HZ2 LYS 97 -1.892 -13.577 -6.465 743 3HZ LYS 97 HZ3 LYS 97 -0.946 -13.725 -5.062 744 H ASP 98 HN ASP 98 -2.124 -5.589 -6.795 745 HA ASP 98 HA ASP 98 -0.855 -4.601 -9.136 746 1HB ASP 98 HB2 ASP 98 -2.939 -3.339 -7.333 747 2HB ASP 98 HB1 ASP 98 -2.451 -2.648 -8.880 748 H LEU 99 HN LEU 99 -0.836 -3.384 -5.808 749 HA LEU 99 HA LEU 99 0.685 -1.041 -6.396 750 1HB LEU 99 HB2 LEU 99 -0.608 -1.267 -4.316 751 2HB LEU 99 HB1 LEU 99 0.398 -2.621 -3.820 752 HG LEU 99 HG LEU 99 2.362 -1.040 -3.827 753 1HD1 LEU 99 HD11 LEU 99 1.867 1.398 -3.663 754 2HD1 LEU 99 HD12 LEU 99 0.199 1.060 -4.119 755 3HD1 LEU 99 HD13 LEU 99 1.508 0.762 -5.257 756 1HD2 LEU 99 HD21 LEU 99 0.938 0.335 -1.822 757 2HD2 LEU 99 HD22 LEU 99 1.922 -1.113 -1.632 758 3HD2 LEU 99 HD23 LEU 99 0.194 -1.256 -1.944 759 H LEU 100 HN LEU 100 1.618 -4.355 -5.496 760 HA LEU 100 HA LEU 100 4.375 -4.001 -5.065 761 1HB LEU 100 HB2 LEU 100 3.305 -6.154 -4.700 762 2HB LEU 100 HB1 LEU 100 2.937 -6.304 -6.413 763 HG LEU 100 HG LEU 100 5.337 -6.433 -6.948 764 1HD1 LEU 100 HD11 LEU 100 6.819 -6.758 -4.779 765 2HD1 LEU 100 HD12 LEU 100 5.568 -5.767 -4.030 766 3HD1 LEU 100 HD13 LEU 100 6.492 -5.139 -5.394 767 1HD2 LEU 100 HD21 LEU 100 5.815 -8.590 -5.826 768 2HD2 LEU 100 HD22 LEU 100 4.152 -8.508 -6.402 769 3HD2 LEU 100 HD23 LEU 100 4.502 -8.274 -4.691 770 H LEU 101 HN LEU 101 2.721 -4.463 -8.230 771 HA LEU 101 HA LEU 101 5.100 -4.523 -9.783 772 1HB LEU 101 HB2 LEU 101 2.287 -3.670 -10.387 773 2HB LEU 101 HB1 LEU 101 3.545 -3.416 -11.588 774 HG LEU 101 HG LEU 101 2.315 -5.562 -11.883 775 1HD1 LEU 101 HD11 LEU 101 5.035 -6.536 -11.168 776 2HD1 LEU 101 HD12 LEU 101 4.986 -5.122 -12.204 777 3HD1 LEU 101 HD13 LEU 101 4.164 -6.595 -12.695 778 1HD2 LEU 101 HD21 LEU 101 3.651 -6.606 -9.377 779 2HD2 LEU 101 HD22 LEU 101 2.269 -7.249 -10.266 780 3HD2 LEU 101 HD23 LEU 101 2.106 -5.785 -9.319 781 H HIS 102 HN HIS 102 3.142 -1.706 -8.770 782 HA HIS 102 HA HIS 102 4.853 0.178 -10.120 783 1HB HIS 102 HB2 HIS 102 2.748 0.430 -7.988 784 2HB HIS 102 HB1 HIS 102 3.731 1.819 -8.452 785 HD1 HIS 102 HD1 HIS 102 3.427 2.763 -10.851 786 HD2 HIS 102 HD2 HIS 102 0.962 -0.479 -9.993 787 HE1 HIS 102 HE1 HIS 102 1.734 2.645 -12.728 788 H LEU 103 HN LEU 103 4.898 -1.162 -6.815 789 HA LEU 103 HA LEU 103 6.731 0.708 -5.715 790 1HB LEU 103 HB2 LEU 103 6.405 -2.248 -5.155 791 2HB LEU 103 HB1 LEU 103 7.422 -1.192 -4.192 792 HG LEU 103 HG LEU 103 4.476 -0.809 -4.657 793 1HD1 LEU 103 HD11 LEU 103 5.867 -1.620 -2.101 794 2HD1 LEU 103 HD12 LEU 103 5.185 -2.793 -3.225 795 3HD1 LEU 103 HD13 LEU 103 4.135 -1.627 -2.423 796 1HD2 LEU 103 HD21 LEU 103 4.964 0.688 -2.500 797 2HD2 LEU 103 HD22 LEU 103 5.123 1.338 -4.130 798 3HD2 LEU 103 HD23 LEU 103 6.548 0.799 -3.253 799 H LYS 104 HN LYS 104 7.573 -2.492 -7.156 800 HA LYS 104 HA LYS 104 10.388 -1.899 -7.086 801 1HB LYS 104 HB2 LYS 104 10.654 -3.849 -8.578 802 2HB LYS 104 HB1 LYS 104 9.590 -4.212 -7.224 803 1HG LYS 104 HG2 LYS 104 7.625 -3.976 -8.620 804 2HG LYS 104 HG1 LYS 104 8.596 -3.396 -9.973 805 1HD LYS 104 HD2 LYS 104 9.561 -5.497 -10.357 806 2HD LYS 104 HD1 LYS 104 9.183 -6.075 -8.735 807 1HE LYS 104 HE2 LYS 104 6.857 -6.285 -9.254 808 2HE LYS 104 HE1 LYS 104 7.045 -5.392 -10.762 809 1HZ LYS 104 HZ1 LYS 104 8.139 -8.076 -10.127 810 2HZ LYS 104 HZ2 LYS 104 8.532 -7.196 -11.527 811 3HZ LYS 104 HZ3 LYS 104 6.933 -7.705 -11.261 812 H LYS 105 HN LYS 105 7.870 -0.962 -9.238 813 HA LYS 105 HA LYS 105 9.361 -0.563 -11.632 814 1HB LYS 105 HB2 LYS 105 6.857 -0.456 -11.388 815 2HB LYS 105 HB1 LYS 105 7.055 1.126 -10.642 816 1HG LYS 105 HG2 LYS 105 8.180 1.952 -12.669 817 2HG LYS 105 HG1 LYS 105 7.985 0.367 -13.422 818 1HD LYS 105 HD2 LYS 105 5.566 0.553 -13.321 819 2HD LYS 105 HD1 LYS 105 5.682 2.060 -12.413 820 1HE LYS 105 HE2 LYS 105 5.271 2.717 -14.663 821 2HE LYS 105 HE1 LYS 105 6.995 2.984 -14.413 822 1HZ LYS 105 HZ1 LYS 105 7.505 0.967 -15.518 823 2HZ LYS 105 HZ2 LYS 105 6.410 1.806 -16.510 824 3HZ LYS 105 HZ3 LYS 105 5.877 0.494 -15.571 825 H LEU 106 HN LEU 106 8.649 1.767 -8.991 826 HA LEU 106 HA LEU 106 10.164 3.910 -10.143 827 1HB LEU 106 HB2 LEU 106 9.267 3.304 -7.324 828 2HB LEU 106 HB1 LEU 106 10.276 4.700 -7.671 829 HG LEU 106 HG LEU 106 7.727 5.070 -7.617 830 1HD1 LEU 106 HD11 LEU 106 8.505 6.957 -8.550 831 2HD1 LEU 106 HD12 LEU 106 8.102 6.240 -10.107 832 3HD1 LEU 106 HD13 LEU 106 9.738 6.097 -9.468 833 1HD2 LEU 106 HD21 LEU 106 7.858 3.926 -10.417 834 2HD2 LEU 106 HD22 LEU 106 6.439 4.470 -9.531 835 3HD2 LEU 106 HD23 LEU 106 7.276 3.010 -9.033 836 H PHE 107 HN PHE 107 11.140 1.092 -8.322 837 HA PHE 107 HA PHE 107 13.641 2.031 -7.340 838 1HB PHE 107 HB2 PHE 107 12.693 -0.166 -6.702 839 2HB PHE 107 HB1 PHE 107 12.953 -0.753 -8.345 840 HD1 PHE 107 HD1 PHE 107 14.730 0.724 -5.424 841 HD2 PHE 107 HD2 PHE 107 15.047 -1.682 -8.961 842 HE1 PHE 107 HE1 PHE 107 17.058 0.183 -4.831 843 HE2 PHE 107 HE2 PHE 107 17.390 -2.245 -8.362 844 HZ PHE 107 HZ PHE 107 18.399 -1.313 -6.294 845 H ARG 108 HN ARG 108 12.720 0.695 -10.490 846 HA ARG 108 HA ARG 108 15.330 0.546 -11.606 847 1HB ARG 108 HB2 ARG 108 12.707 1.155 -13.004 848 2HB ARG 108 HB1 ARG 108 14.195 0.628 -13.792 849 1HG ARG 108 HG2 ARG 108 13.915 -1.298 -11.866 850 2HG ARG 108 HG1 ARG 108 12.229 -0.938 -12.232 851 1HD ARG 108 HD2 ARG 108 12.976 -1.128 -14.726 852 2HD ARG 108 HD1 ARG 108 14.375 -1.975 -14.069 853 HE ARG 108 HE ARG 108 12.183 -3.219 -12.885 854 1HH1 ARG 108 HH21 ARG 108 13.285 -2.471 -16.060 855 2HH1 ARG 108 HH22 ARG 108 12.508 -3.832 -16.799 856 1HH2 ARG 108 HH11 ARG 108 11.155 -5.004 -13.828 857 2HH2 ARG 108 HH12 ARG 108 11.301 -5.266 -15.534 858 H GLU 109 HN GLU 109 13.032 3.260 -11.418 859 HA GLU 109 HA GLU 109 14.874 4.985 -12.928 860 1HB GLU 109 HB2 GLU 109 12.300 5.667 -11.471 861 2HB GLU 109 HB1 GLU 109 13.179 6.735 -12.566 862 1HG GLU 109 HG2 GLU 109 12.921 4.937 -14.346 863 2HG GLU 109 HG1 GLU 109 11.806 4.125 -13.246 864 H GLY 110 HN GLY 110 14.766 3.909 -9.764 865 1HA GLY 110 HA2 GLY 110 15.792 4.651 -7.804 866 2HA GLY 110 HA1 GLY 110 16.827 5.614 -8.857 867 H ARG 111 HN ARG 111 13.585 6.366 -9.408 868 HA ARG 111 HA ARG 111 13.907 8.895 -7.889 869 1HB ARG 111 HB2 ARG 111 11.839 8.029 -9.935 870 2HB ARG 111 HB1 ARG 111 11.855 9.602 -9.139 871 1HG ARG 111 HG2 ARG 111 14.315 9.750 -10.017 872 2HG ARG 111 HG1 ARG 111 13.813 8.476 -11.128 873 1HD ARG 111 HD2 ARG 111 11.862 9.944 -11.783 874 2HD ARG 111 HD1 ARG 111 12.591 11.229 -10.825 875 HE ARG 111 HE ARG 111 14.617 10.356 -12.548 876 1HH1 ARG 111 HH21 ARG 111 11.409 11.594 -12.768 877 2HH1 ARG 111 HH22 ARG 111 11.656 12.329 -14.316 878 1HH2 ARG 111 HH11 ARG 111 14.960 11.306 -14.567 879 2HH2 ARG 111 HH12 ARG 111 13.668 12.165 -15.336 880 H PHE 112 HN PHE 112 13.519 8.250 -5.798 881 HA PHE 112 HA PHE 112 11.069 6.749 -5.154 882 1HB PHE 112 HB2 PHE 112 13.131 7.949 -3.283 883 2HB PHE 112 HB1 PHE 112 11.991 6.644 -2.931 884 HD1 PHE 112 HD1 PHE 112 12.177 4.475 -4.177 885 HD2 PHE 112 HD2 PHE 112 15.208 7.499 -4.407 886 HE1 PHE 112 HE1 PHE 112 13.783 2.822 -5.108 887 HE2 PHE 112 HE2 PHE 112 16.797 5.824 -5.333 888 HZ PHE 112 HZ PHE 112 16.067 3.478 -5.657 889 H ASN 113 HN ASN 113 9.210 7.729 -4.488 890 HA ASN 113 HA ASN 113 7.711 9.412 -3.893 891 1HB ASN 113 HB2 ASN 113 10.085 9.935 -2.303 892 2HB ASN 113 HB1 ASN 113 9.365 11.456 -2.803 893 1HD2 ASN 113 HD21 ASN 113 9.337 10.887 -0.106 894 2HD2 ASN 113 HD22 ASN 113 7.771 10.481 0.409
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