NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9881 | 1ovx | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 H LEU 11 HT1 LEU 1 114.888 12.601 -7.923 2 HA LEU 11 HA LEU 1 116.070 11.885 -9.660 3 1HB LEU 11 HB2 LEU 1 117.769 10.627 -7.483 4 2HB LEU 11 HB1 LEU 1 118.319 11.154 -9.075 5 HG LEU 11 HG LEU 1 117.211 12.928 -6.879 6 1HD1 LEU 11 HD11 LEU 1 119.808 11.943 -7.365 7 2HD1 LEU 11 HD12 LEU 1 119.357 13.256 -6.277 8 3HD1 LEU 11 HD13 LEU 1 119.815 13.609 -7.943 9 1HD2 LEU 11 HD21 LEU 1 117.847 13.390 -9.780 10 2HD2 LEU 11 HD22 LEU 1 118.086 14.697 -8.621 11 3HD2 LEU 11 HD23 LEU 1 116.486 13.988 -8.833 12 H LEU 12 HN LEU 1 116.907 9.080 -7.655 13 HA LEU 12 HA LEU 1 115.925 7.335 -9.852 14 1HB LEU 12 HB2 LEU 1 118.286 7.277 -8.500 15 2HB LEU 12 HB1 LEU 1 117.337 6.157 -7.527 16 HG LEU 12 HG LEU 1 118.474 4.904 -9.271 17 1HD1 LEU 12 HD11 LEU 1 116.643 3.678 -10.020 18 2HD1 LEU 12 HD12 LEU 1 115.669 5.118 -10.314 19 3HD1 LEU 12 HD13 LEU 1 115.940 4.557 -8.665 20 1HD2 LEU 12 HD21 LEU 1 118.775 5.704 -11.363 21 2HD2 LEU 12 HD22 LEU 1 118.094 7.223 -10.780 22 3HD2 LEU 12 HD23 LEU 1 117.053 6.030 -11.556 23 H TYR 13 HN TYR 1 114.286 5.829 -9.493 24 HA TYR 13 HA TYR 1 112.654 6.255 -7.079 25 1HB TYR 13 HB2 TYR 1 111.025 4.792 -8.230 26 2HB TYR 13 HB1 TYR 1 111.561 6.105 -9.280 27 HD1 TYR 13 HD1 TYR 1 111.924 2.487 -8.545 28 HD2 TYR 13 HD2 TYR 1 112.881 5.685 -11.247 29 HE1 TYR 13 HE1 TYR 1 112.715 0.837 -10.216 30 HE2 TYR 13 HE2 TYR 1 113.675 4.034 -12.918 31 HH TYR 13 HH TYR 1 114.485 1.758 -13.011 32 H CYS 14 HN CYS 1 112.061 4.547 -5.629 33 HA CYS 14 HA CYS 1 114.184 2.707 -4.990 34 1HB CYS 14 HB2 CYS 1 112.042 3.678 -3.611 35 2HB CYS 14 HB1 CYS 1 111.474 2.057 -4.012 36 H SER 15 HN SER 1 114.466 0.611 -5.671 37 HA SER 15 HA SER 1 112.930 -0.418 -7.865 38 1HB SER 15 HB2 SER 1 114.247 -2.405 -7.633 39 2HB SER 15 HB1 SER 1 115.311 -1.077 -7.177 40 HG SER 15 HG SER 1 114.874 -1.537 -5.014 41 H PHE 16 HN PHE 1 112.612 -0.560 -4.390 42 HA PHE 16 HA PHE 1 110.503 -2.644 -4.557 43 1HB PHE 16 HB2 PHE 1 111.558 -1.160 -2.132 44 2HB PHE 16 HB1 PHE 1 110.558 -2.611 -2.125 45 HD1 PHE 16 HD1 PHE 1 111.486 -4.788 -2.845 46 HD2 PHE 16 HD2 PHE 1 113.918 -1.255 -2.631 47 HE1 PHE 16 HE1 PHE 1 113.531 -6.188 -2.950 48 HE2 PHE 16 HE2 PHE 1 115.962 -2.654 -2.738 49 HZ PHE 16 HZ PHE 1 115.768 -5.120 -2.895 50 H CYS 17 HN CYS 1 110.835 0.618 -3.106 51 HA CYS 17 HA CYS 1 107.967 0.932 -2.830 52 1HB CYS 17 HB2 CYS 1 110.029 3.150 -2.711 53 2HB CYS 17 HB1 CYS 1 108.467 3.072 -1.899 54 H GLY 18 HN GLY 1 110.304 1.796 -5.308 55 1HA GLY 18 HA2 GLY 1 109.969 2.759 -7.426 56 2HA GLY 18 HA1 GLY 1 108.311 2.168 -7.297 57 H LYS 19 HN LYS 1 109.095 4.120 -4.675 58 HA LYS 19 HA LYS 1 107.328 6.249 -5.638 59 1HB LYS 19 HB2 LYS 1 108.876 5.916 -3.048 60 2HB LYS 19 HB1 LYS 1 107.711 7.201 -3.362 61 1HG LYS 19 HG2 LYS 1 105.963 5.477 -3.777 62 2HG LYS 19 HG1 LYS 1 107.132 4.228 -3.350 63 1HD LYS 19 HD2 LYS 1 107.415 5.307 -1.118 64 2HD LYS 19 HD1 LYS 1 106.145 6.454 -1.546 65 1HE LYS 19 HE2 LYS 1 104.748 4.297 -2.071 66 2HE LYS 19 HE1 LYS 1 105.930 3.501 -1.032 67 1HZ LYS 19 HZ1 LYS 1 104.016 5.639 -0.357 68 2HZ LYS 19 HZ2 LYS 1 105.424 5.423 0.568 69 3HZ LYS 19 HZ3 LYS 1 104.290 4.165 0.435 70 H SER 20 HN SER 2 108.007 8.508 -5.786 71 HA SER 20 HA SER 2 110.522 8.855 -7.110 72 1HB SER 20 HB2 SER 2 109.869 11.042 -7.433 73 2HB SER 20 HB1 SER 2 108.301 10.357 -7.015 74 HG SER 20 HG SER 2 109.017 10.878 -4.757 75 H GLN 21 HN GLN 2 112.289 10.306 -6.317 76 HA GLN 21 HA GLN 2 113.368 9.386 -3.865 77 1HB GLN 21 HB2 GLN 2 114.620 10.453 -5.798 78 2HB GLN 21 HB1 GLN 2 114.054 12.013 -5.203 79 1HG GLN 21 HG2 GLN 2 115.093 11.491 -2.987 80 2HG GLN 21 HG1 GLN 2 115.758 10.015 -3.690 81 1HE2 GLN 21 HE21 GLN 2 117.675 10.200 -4.909 82 2HE2 GLN 21 HE22 GLN 2 118.416 11.679 -5.291 83 H HIS 22 HN HIS 2 111.499 12.325 -4.594 84 HA HIS 22 HA HIS 2 111.696 13.154 -1.755 85 1HB HIS 22 HB2 HIS 2 110.433 14.504 -4.156 86 2HB HIS 22 HB1 HIS 2 110.514 15.199 -2.537 87 HD1 HIS 22 HD1 HIS 2 112.631 14.374 -5.520 88 HD2 HIS 22 HD2 HIS 2 113.127 16.037 -1.726 89 HE1 HIS 22 HE1 HIS 2 114.950 15.397 -5.481 90 HE2 HIS 22 HE2 HIS 2 115.261 16.411 -3.177 91 H GLU 23 HN GLU 2 109.550 11.414 -3.786 92 HA GLU 23 HA GLU 2 107.031 12.137 -2.679 93 1HB GLU 23 HB2 GLU 2 107.261 10.723 -4.687 94 2HB GLU 23 HB1 GLU 2 107.921 9.424 -3.698 95 1HG GLU 23 HG2 GLU 2 105.800 9.396 -2.384 96 2HG GLU 23 HG1 GLU 2 105.149 10.633 -3.460 97 H VAL 24 HN VAL 2 109.613 10.177 -1.365 98 HA VAL 24 HA VAL 2 107.824 9.150 0.763 99 HB VAL 24 HB VAL 2 110.577 8.498 1.227 100 1HG1 VAL 24 HG11 VAL 2 108.147 6.946 0.294 101 2HG1 VAL 24 HG12 VAL 2 108.760 7.085 1.942 102 3HG1 VAL 24 HG13 VAL 2 109.675 6.184 0.733 103 1HG2 VAL 24 HG21 VAL 2 110.981 7.258 -0.920 104 2HG2 VAL 24 HG22 VAL 2 111.001 9.008 -1.118 105 3HG2 VAL 24 HG23 VAL 2 109.584 8.080 -1.612 106 H ARG 25 HN ARG 2 108.278 9.557 3.008 107 HA ARG 25 HA ARG 2 108.999 12.291 3.569 108 1HB ARG 25 HB2 ARG 2 107.389 10.999 4.945 109 2HB ARG 25 HB1 ARG 2 108.702 9.946 5.473 110 1HG ARG 25 HG2 ARG 2 109.869 11.898 6.447 111 2HG ARG 25 HG1 ARG 2 108.535 12.937 5.944 112 1HD ARG 25 HD2 ARG 2 108.186 12.352 8.269 113 2HD ARG 25 HD1 ARG 2 106.988 11.490 7.304 114 HE ARG 25 HE ARG 2 109.103 9.705 7.494 115 1HH1 ARG 25 HH21 ARG 2 107.173 11.550 9.674 116 2HH1 ARG 25 HH22 ARG 2 107.291 10.399 10.963 117 1HH2 ARG 25 HH11 ARG 2 109.269 8.191 9.162 118 2HH2 ARG 25 HH12 ARG 2 108.478 8.496 10.673 119 H LYS 26 HN LYS 2 110.673 9.183 4.013 120 HA LYS 26 HA LYS 2 113.163 10.738 4.612 121 1HB LYS 26 HB2 LYS 2 112.352 7.960 5.515 122 2HB LYS 26 HB1 LYS 2 113.941 8.672 5.791 123 1HG LYS 26 HG2 LYS 2 112.834 10.564 6.995 124 2HG LYS 26 HG1 LYS 2 111.290 9.730 6.813 125 1HD LYS 26 HD2 LYS 2 112.249 7.767 8.017 126 2HD LYS 26 HD1 LYS 2 113.732 8.686 8.276 127 1HE LYS 26 HE2 LYS 2 112.633 10.277 9.658 128 2HE LYS 26 HE1 LYS 2 111.036 9.734 9.145 129 1HZ LYS 26 HZ1 LYS 2 112.984 8.242 10.812 130 2HZ LYS 26 HZ2 LYS 2 111.560 7.561 10.183 131 3HZ LYS 26 HZ3 LYS 2 111.473 8.844 11.293 132 H LEU 27 HN LEU 2 114.686 10.571 3.051 133 HA LEU 27 HA LEU 2 114.744 8.102 1.382 134 1HB LEU 27 HB2 LEU 2 113.612 10.300 0.373 135 2HB LEU 27 HB1 LEU 2 115.293 10.739 0.083 136 HG LEU 27 HG LEU 2 114.451 9.590 -1.877 137 1HD1 LEU 27 HD11 LEU 2 116.161 8.013 -2.143 138 2HD1 LEU 27 HD12 LEU 2 116.058 7.478 -0.468 139 3HD1 LEU 27 HD13 LEU 2 116.784 9.039 -0.852 140 1HD2 LEU 27 HD21 LEU 2 112.888 8.183 -0.060 141 2HD2 LEU 27 HD22 LEU 2 114.030 6.972 -0.642 142 3HD2 LEU 27 HD23 LEU 2 113.014 7.847 -1.787 143 H ILE 28 HN ILE 2 116.806 7.320 1.177 144 HA ILE 28 HA ILE 2 119.026 9.068 2.138 145 HB ILE 28 HB ILE 2 119.058 6.075 1.644 146 1HG1 ILE 28 HG12 ILE 2 118.745 7.522 4.290 147 2HG1 ILE 28 HG11 ILE 2 117.397 6.806 3.407 148 1HG2 ILE 28 HG21 ILE 2 121.148 6.074 2.692 149 2HG2 ILE 28 HG22 ILE 2 120.855 7.619 3.491 150 3HG2 ILE 28 HG23 ILE 2 121.203 7.572 1.762 151 1HD1 ILE 28 HD11 ILE 2 117.934 4.722 4.100 152 2HD1 ILE 28 HD12 ILE 2 119.039 5.489 5.241 153 3HD1 ILE 28 HD13 ILE 2 119.630 4.945 3.671 154 H ALA 29 HN ALA 2 120.461 9.826 0.625 155 HA ALA 29 HA ALA 2 120.173 8.793 -2.149 156 1HB ALA 29 HB1 ALA 2 119.913 11.227 -1.805 157 2HB ALA 29 HB2 ALA 2 121.311 10.869 -2.820 158 3HB ALA 29 HB3 ALA 2 121.538 11.299 -1.124 159 H GLY 30 HN GLY 3 121.851 7.809 -3.200 160 1HA GLY 30 HA2 GLY 3 124.511 7.762 -1.851 161 2HA GLY 30 HA1 GLY 3 123.769 6.257 -2.397 162 HA PRO 31 HA PRO 3 126.410 8.770 -5.696 163 1HB PRO 31 HB2 PRO 3 127.776 6.112 -5.581 164 2HB PRO 31 HB1 PRO 3 128.466 7.724 -5.844 165 1HG PRO 31 HG2 PRO 3 128.629 6.430 -3.487 166 2HG PRO 31 HG1 PRO 3 128.570 8.192 -3.623 167 1HD PRO 31 HD2 PRO 3 126.520 6.353 -2.581 168 2HD PRO 31 HD1 PRO 3 126.669 8.110 -2.375 169 H SER 32 HN SER 3 124.773 5.695 -5.327 170 HA SER 32 HA SER 3 123.743 5.909 -8.056 171 1HB SER 32 HB2 SER 3 124.570 3.394 -8.386 172 2HB SER 32 HB1 SER 3 125.572 4.763 -8.859 173 HG SER 32 HG SER 3 126.859 3.535 -7.590 174 H VAL 33 HN VAL 3 123.260 5.133 -4.903 175 HA VAL 33 HA VAL 3 121.040 3.248 -5.609 176 HB VAL 33 HB VAL 3 122.794 3.204 -3.137 177 1HG1 VAL 33 HG11 VAL 3 120.114 2.131 -3.720 178 2HG1 VAL 33 HG12 VAL 3 120.920 2.361 -2.169 179 3HG1 VAL 33 HG13 VAL 3 121.254 0.921 -3.130 180 1HG2 VAL 33 HG21 VAL 3 123.509 2.202 -5.473 181 2HG2 VAL 33 HG22 VAL 3 122.370 0.926 -5.045 182 3HG2 VAL 33 HG23 VAL 3 123.749 1.264 -4.000 183 H TYR 34 HN TYR 3 119.055 3.866 -4.907 184 HA TYR 34 HA TYR 3 118.921 6.001 -2.810 185 1HB TYR 34 HB2 TYR 3 117.215 5.718 -5.301 186 2HB TYR 34 HB1 TYR 3 116.937 6.896 -4.017 187 HD1 TYR 34 HD1 TYR 3 119.381 5.797 -6.603 188 HD2 TYR 34 HD2 TYR 3 118.228 8.897 -3.861 189 HE1 TYR 34 HE1 TYR 3 121.034 7.327 -7.638 190 HE2 TYR 34 HE2 TYR 3 119.884 10.427 -4.896 191 HH TYR 34 HH TYR 3 122.035 9.311 -7.506 192 H ILE 35 HN ILE 3 117.723 5.349 -1.085 193 HA ILE 35 HA ILE 3 115.545 3.378 -1.519 194 HB ILE 35 HB ILE 3 117.803 2.295 -0.897 195 1HG1 ILE 35 HG12 ILE 3 115.813 1.651 1.236 196 2HG1 ILE 35 HG11 ILE 3 115.307 1.437 -0.440 197 1HG2 ILE 35 HG21 ILE 3 117.212 2.967 1.934 198 2HG2 ILE 35 HG22 ILE 3 117.944 4.239 0.958 199 3HG2 ILE 35 HG23 ILE 3 118.762 2.691 1.138 200 1HD1 ILE 35 HD11 ILE 3 117.391 0.075 -0.818 201 2HD1 ILE 35 HD12 ILE 3 116.274 -0.653 0.330 202 3HD1 ILE 35 HD13 ILE 3 117.708 0.183 0.910 203 H CYS 36 HN CYS 3 113.891 3.499 0.115 204 HA CYS 36 HA CYS 3 114.055 5.966 1.784 205 1HB CYS 36 HB2 CYS 3 111.429 4.699 1.678 206 2HB CYS 36 HB1 CYS 3 111.893 6.346 1.248 207 H ASP 37 HN ASP 3 112.274 5.492 3.777 208 HA ASP 37 HA ASP 3 113.757 3.689 5.491 209 1HB ASP 37 HB2 ASP 3 112.612 5.809 6.232 210 2HB ASP 37 HB1 ASP 3 111.074 4.961 6.064 211 H GLU 38 HN GLU 3 110.585 3.452 3.878 212 HA GLU 38 HA GLU 3 109.691 1.122 5.270 213 1HB GLU 38 HB2 GLU 3 109.056 2.096 2.473 214 2HB GLU 38 HB1 GLU 3 108.179 0.811 3.305 215 1HG GLU 38 HG2 GLU 3 107.633 2.396 5.137 216 2HG GLU 38 HG1 GLU 3 108.457 3.679 4.251 217 H CYS 39 HN CYS 3 111.614 1.436 2.305 218 HA CYS 39 HA CYS 3 111.608 -1.305 1.539 219 1HB CYS 39 HB2 CYS 3 114.093 -0.407 0.781 220 2HB CYS 39 HB1 CYS 3 112.611 -0.135 -0.139 221 H VAL 40 HN VAL 4 114.087 0.466 3.441 222 HA VAL 40 HA VAL 4 115.561 -1.930 4.052 223 HB VAL 40 HB VAL 4 116.851 -0.563 5.533 224 1HG1 VAL 40 HG11 VAL 4 115.970 1.458 3.500 225 2HG1 VAL 40 HG12 VAL 4 116.727 -0.041 2.961 226 3HG1 VAL 40 HG13 VAL 4 117.603 1.055 4.030 227 1HG2 VAL 40 HG21 VAL 4 116.055 1.765 6.106 228 2HG2 VAL 40 HG22 VAL 4 115.120 0.470 6.854 229 3HG2 VAL 40 HG23 VAL 4 114.484 1.317 5.444 230 H ASP 41 HN ASP 4 113.058 -0.106 5.795 231 HA ASP 41 HA ASP 4 113.212 -1.562 8.238 232 1HB ASP 41 HB2 ASP 4 110.845 -0.235 6.886 233 2HB ASP 41 HB1 ASP 4 110.818 -0.852 8.538 234 H LEU 42 HN LEU 4 111.169 -2.123 5.354 235 HA LEU 42 HA LEU 4 110.081 -4.594 6.441 236 1HB LEU 42 HB2 LEU 4 110.090 -3.543 3.594 237 2HB LEU 42 HB1 LEU 4 109.104 -4.877 4.194 238 HG LEU 42 HG LEU 4 108.988 -2.009 5.178 239 1HD1 LEU 42 HD11 LEU 4 107.866 -1.981 3.127 240 2HD1 LEU 42 HD12 LEU 4 106.562 -2.385 4.244 241 3HD1 LEU 42 HD13 LEU 4 107.327 -3.653 3.287 242 1HD2 LEU 42 HD21 LEU 4 107.790 -4.586 6.114 243 2HD2 LEU 42 HD22 LEU 4 106.793 -3.134 6.197 244 3HD2 LEU 42 HD23 LEU 4 108.333 -3.196 7.055 245 H CYS 43 HN CYS 4 112.618 -3.787 4.080 246 HA CYS 43 HA CYS 4 113.182 -6.523 3.376 247 1HB CYS 43 HB2 CYS 4 114.930 -4.052 3.193 248 2HB CYS 43 HB1 CYS 4 115.272 -5.597 2.414 249 HG CYS 43 HG CYS 4 113.787 -4.880 0.577 250 H ASN 44 HN ASN 4 114.683 -4.271 5.702 251 HA ASN 44 HA ASN 4 116.780 -5.975 6.553 252 1HB ASN 44 HB2 ASN 4 115.211 -3.911 8.125 253 2HB ASN 44 HB1 ASN 4 116.707 -4.661 8.682 254 1HD2 ASN 44 HD21 ASN 4 116.553 -1.837 8.237 255 2HD2 ASN 44 HD22 ASN 4 117.540 -1.448 6.911 256 H ASP 45 HN ASP 4 113.395 -5.777 7.627 257 HA ASP 45 HA ASP 4 113.651 -7.629 9.794 258 1HB ASP 45 HB2 ASP 4 111.273 -6.952 8.038 259 2HB ASP 45 HB1 ASP 4 111.175 -7.922 9.508 260 H ILE 46 HN ILE 4 112.918 -8.095 6.344 261 HA ILE 46 HA ILE 4 112.444 -10.934 6.580 262 HB ILE 46 HB ILE 4 113.252 -9.288 4.166 263 1HG1 ILE 46 HG12 ILE 4 110.513 -10.232 5.067 264 2HG1 ILE 46 HG11 ILE 4 111.127 -8.599 5.325 265 1HG2 ILE 46 HG21 ILE 4 112.107 -12.080 4.453 266 2HG2 ILE 46 HG22 ILE 4 113.666 -11.638 3.755 267 3HG2 ILE 46 HG23 ILE 4 112.172 -11.196 2.928 268 1HD1 ILE 46 HD11 ILE 4 110.571 -9.974 2.689 269 2HD1 ILE 46 HD12 ILE 4 111.528 -8.497 2.804 270 3HD1 ILE 46 HD13 ILE 4 109.840 -8.496 3.314 271 H ILE 47 HN ILE 4 115.258 -9.109 5.309 272 HA ILE 47 HA ILE 4 116.890 -11.418 4.922 273 HB ILE 47 HB ILE 4 117.270 -9.072 4.000 274 1HG1 ILE 47 HG12 ILE 4 119.696 -10.224 5.395 275 2HG1 ILE 47 HG11 ILE 4 118.943 -11.019 4.011 276 1HG2 ILE 47 HG21 ILE 4 118.120 -7.391 5.337 277 2HG2 ILE 47 HG22 ILE 4 118.851 -8.523 6.476 278 3HG2 ILE 47 HG23 ILE 4 117.114 -8.228 6.517 279 1HD1 ILE 47 HD11 ILE 4 120.823 -9.529 3.337 280 2HD1 ILE 47 HD12 ILE 4 119.948 -8.158 4.018 281 3HD1 ILE 47 HD13 ILE 4 119.285 -9.029 2.635 282 H ARG 48 HN ARG 4 116.374 -9.362 7.760 283 HA ARG 48 HA ARG 4 118.502 -10.712 9.264 284 1HB ARG 48 HB2 ARG 4 116.358 -8.750 10.132 285 2HB ARG 48 HB1 ARG 4 117.651 -9.346 11.172 286 1HG ARG 48 HG2 ARG 4 119.332 -8.450 9.596 287 2HG ARG 48 HG1 ARG 4 118.038 -7.826 8.576 288 1HD ARG 48 HD2 ARG 4 117.226 -6.509 10.581 289 2HD ARG 48 HD1 ARG 4 118.710 -6.990 11.406 290 HE ARG 48 HE ARG 4 119.606 -5.908 9.020 291 1HH1 ARG 48 HH21 ARG 4 117.528 -4.921 11.589 292 2HH1 ARG 48 HH22 ARG 4 117.894 -3.237 11.414 293 1HH2 ARG 48 HH11 ARG 4 120.093 -3.717 8.776 294 2HH2 ARG 48 HH12 ARG 4 119.346 -2.556 9.822 295 H LEU 11 HT1 LEU 1 126.286 -9.480 -8.369 296 HA LEU 11 HA LEU 1 125.803 -8.329 -10.204 297 1HB LEU 11 HB2 LEU 1 123.365 -7.529 -8.585 298 2HB LEU 11 HB1 LEU 1 123.468 -7.651 -10.342 299 HG LEU 11 HG LEU 1 123.759 -9.930 -8.363 300 1HD1 LEU 11 HD11 LEU 1 121.487 -8.742 -9.538 301 2HD1 LEU 11 HD12 LEU 1 121.559 -10.289 -8.694 302 3HD1 LEU 11 HD13 LEU 1 121.769 -10.229 -10.444 303 1HD2 LEU 11 HD21 LEU 1 124.266 -9.687 -11.317 304 2HD2 LEU 11 HD22 LEU 1 123.673 -11.213 -10.660 305 3HD2 LEU 11 HD23 LEU 1 125.205 -10.545 -10.095 306 H LEU 12 HN LEU 1 124.157 -6.023 -8.066 307 HA LEU 12 HA LEU 1 125.807 -3.866 -9.278 308 1HB LEU 12 HB2 LEU 1 123.112 -4.014 -8.920 309 2HB LEU 12 HB1 LEU 1 123.584 -3.188 -7.436 310 HG LEU 12 HG LEU 1 123.118 -1.521 -9.143 311 1HD1 LEU 12 HD11 LEU 1 125.042 -0.239 -8.867 312 2HD1 LEU 12 HD12 LEU 1 126.118 -1.616 -9.097 313 3HD1 LEU 12 HD13 LEU 1 125.232 -1.431 -7.583 314 1HD2 LEU 12 HD21 LEU 1 123.646 -1.811 -11.321 315 2HD2 LEU 12 HD22 LEU 1 124.129 -3.451 -10.890 316 3HD2 LEU 12 HD23 LEU 1 125.331 -2.161 -10.935 317 H TYR 13 HN TYR 1 127.124 -2.556 -8.001 318 HA TYR 13 HA TYR 1 127.764 -3.596 -5.320 319 1HB TYR 13 HB2 TYR 1 129.643 -1.993 -5.424 320 2HB TYR 13 HB1 TYR 1 129.587 -3.004 -6.868 321 HD1 TYR 13 HD1 TYR 1 128.823 0.363 -5.510 322 HD2 TYR 13 HD2 TYR 1 129.078 -2.084 -9.031 323 HE1 TYR 13 HE1 TYR 1 128.635 2.386 -6.929 324 HE2 TYR 13 HE2 TYR 1 128.888 -0.060 -10.450 325 HH TYR 13 HH TYR 1 128.070 2.210 -10.312 326 H CYS 14 HN CYS 1 127.722 -2.276 -3.409 327 HA CYS 14 HA CYS 1 125.441 -0.524 -3.209 328 1HB CYS 14 HB2 CYS 1 126.948 -1.897 -1.392 329 2HB CYS 14 HB1 CYS 1 127.545 -0.254 -1.156 330 H SER 15 HN SER 1 125.346 1.676 -3.441 331 HA SER 15 HA SER 1 127.536 3.108 -4.610 332 1HB SER 15 HB2 SER 1 126.140 5.054 -4.405 333 2HB SER 15 HB1 SER 1 125.054 3.710 -4.732 334 HG SER 15 HG SER 1 124.609 3.599 -2.524 335 H PHE 16 HN PHE 1 126.520 2.436 -1.347 336 HA PHE 16 HA PHE 1 128.439 4.382 -0.204 337 1HB PHE 16 HB2 PHE 1 126.629 2.405 1.215 338 2HB PHE 16 HB1 PHE 1 127.476 3.769 1.942 339 HD1 PHE 16 HD1 PHE 1 126.778 6.097 1.446 340 HD2 PHE 16 HD2 PHE 1 124.615 2.714 -0.079 341 HE1 PHE 16 HE1 PHE 1 124.851 7.566 0.916 342 HE2 PHE 16 HE2 PHE 1 122.687 4.179 -0.612 343 HZ PHE 16 HZ PHE 1 122.807 6.609 -0.111 344 H CYS 17 HN CYS 1 127.729 0.905 0.292 345 HA CYS 17 HA CYS 1 130.309 0.382 1.473 346 1HB CYS 17 HB2 CYS 1 128.446 -1.696 0.294 347 2HB CYS 17 HB1 CYS 1 129.586 -1.885 1.625 348 H GLY 18 HN GLY 1 129.090 0.221 -1.825 349 1HA GLY 18 HA2 GLY 1 130.227 -0.240 -3.830 350 2HA GLY 18 HA1 GLY 1 131.692 0.230 -2.966 351 H LYS 19 HN LYS 1 130.079 -2.237 -1.349 352 HA LYS 19 HA LYS 1 132.171 -4.165 -2.051 353 1HB LYS 19 HB2 LYS 1 129.760 -4.368 -0.217 354 2HB LYS 19 HB1 LYS 1 131.016 -5.595 -0.363 355 1HG LYS 19 HG2 LYS 1 132.712 -3.900 0.307 356 2HG LYS 19 HG1 LYS 1 131.413 -2.733 0.543 357 1HD LYS 19 HD2 LYS 1 130.373 -4.278 2.201 358 2HD LYS 19 HD1 LYS 1 131.759 -5.355 2.022 359 1HE LYS 19 HE2 LYS 1 133.158 -3.203 2.562 360 2HE LYS 19 HE1 LYS 1 131.642 -2.612 3.243 361 1HZ LYS 19 HZ1 LYS 1 133.259 -4.934 4.067 362 2HZ LYS 19 HZ2 LYS 1 131.600 -4.871 4.428 363 3HZ LYS 19 HZ3 LYS 1 132.647 -3.670 5.018 364 H SER 20 HN SER 2 131.696 -6.299 -2.953 365 HA SER 20 HA SER 2 129.870 -6.220 -5.157 366 1HB SER 20 HB2 SER 2 130.690 -8.304 -5.705 367 2HB SER 20 HB1 SER 2 131.960 -7.805 -4.590 368 HG SER 20 HG SER 2 130.469 -8.790 -2.945 369 H GLN 21 HN GLN 2 128.002 -7.733 -5.432 370 HA GLN 21 HA GLN 2 126.049 -7.350 -3.416 371 1HB GLN 21 HB2 GLN 2 125.651 -7.886 -5.864 372 2HB GLN 21 HB1 GLN 2 126.026 -9.566 -5.478 373 1HG GLN 21 HG2 GLN 2 124.218 -9.517 -3.745 374 2HG GLN 21 HG1 GLN 2 123.793 -7.895 -4.294 375 1HE2 GLN 21 HE21 GLN 2 122.455 -7.728 -6.131 376 2HE2 GLN 21 HE22 GLN 2 121.987 -9.049 -7.088 377 H HIS 22 HN HIS 2 128.182 -10.128 -4.051 378 HA HIS 22 HA HIS 2 126.977 -11.576 -1.763 379 1HB HIS 22 HB2 HIS 2 129.104 -12.392 -3.760 380 2HB HIS 22 HB1 HIS 2 128.460 -13.437 -2.493 381 HD1 HIS 22 HD1 HIS 2 127.568 -11.858 -5.775 382 HD2 HIS 22 HD2 HIS 2 125.772 -14.320 -2.926 383 HE1 HIS 22 HE1 HIS 2 125.448 -12.756 -6.835 384 HE2 HIS 22 HE2 HIS 2 124.348 -14.255 -5.110 385 H GLU 23 HN GLU 2 129.648 -9.519 -2.388 386 HA GLU 23 HA GLU 2 131.596 -10.588 -0.614 387 1HB GLU 23 HB2 GLU 2 132.066 -8.742 -2.184 388 2HB GLU 23 HB1 GLU 2 131.031 -7.676 -1.238 389 1HG GLU 23 HG2 GLU 2 132.510 -8.051 0.735 390 2HG GLU 23 HG1 GLU 2 133.567 -9.035 -0.279 391 H VAL 24 HN VAL 2 128.633 -8.835 0.047 392 HA VAL 24 HA VAL 2 129.435 -8.424 2.869 393 HB VAL 24 HB VAL 2 126.693 -7.740 2.380 394 1HG1 VAL 24 HG11 VAL 2 129.238 -6.156 2.827 395 2HG1 VAL 24 HG12 VAL 2 128.054 -6.635 4.042 396 3HG1 VAL 24 HG13 VAL 2 127.630 -5.434 2.822 397 1HG2 VAL 24 HG21 VAL 2 127.092 -6.047 0.582 398 2HG2 VAL 24 HG22 VAL 2 127.249 -7.704 0.004 399 3HG2 VAL 24 HG23 VAL 2 128.691 -6.741 0.326 400 H ARG 25 HN ARG 2 128.344 -9.401 4.615 401 HA ARG 25 HA ARG 2 127.483 -12.097 4.247 402 1HB ARG 25 HB2 ARG 2 128.401 -11.207 6.374 403 2HB ARG 25 HB1 ARG 2 126.938 -10.246 6.587 404 1HG ARG 25 HG2 ARG 2 125.582 -12.311 6.592 405 2HG ARG 25 HG1 ARG 2 127.050 -13.271 6.398 406 1HD ARG 25 HD2 ARG 2 126.485 -13.247 8.752 407 2HD ARG 25 HD1 ARG 2 127.917 -12.243 8.527 408 HE ARG 25 HE ARG 2 125.806 -10.455 8.320 409 1HH1 ARG 25 HH21 ARG 2 126.868 -12.834 10.578 410 2HH1 ARG 25 HH22 ARG 2 126.230 -12.003 11.957 411 1HH2 ARG 25 HH11 ARG 2 124.967 -9.355 10.107 412 2HH2 ARG 25 HH12 ARG 2 125.152 -10.033 11.691 413 H LYS 26 HN LYS 2 125.631 -9.089 4.734 414 HA LYS 26 HA LYS 2 123.166 -10.618 3.980 415 1HB LYS 26 HB2 LYS 2 123.461 -8.163 5.734 416 2HB LYS 26 HB1 LYS 2 121.916 -8.843 5.225 417 1HG LYS 26 HG2 LYS 2 122.572 -11.010 6.285 418 2HG LYS 26 HG1 LYS 2 124.035 -10.231 6.890 419 1HD LYS 26 HD2 LYS 2 122.610 -8.550 8.063 420 2HD LYS 26 HD1 LYS 2 121.180 -9.439 7.534 421 1HE LYS 26 HE2 LYS 2 121.757 -11.349 8.826 422 2HE LYS 26 HE1 LYS 2 123.405 -10.774 9.081 423 1HZ LYS 26 HZ1 LYS 2 120.912 -9.616 10.196 424 2HZ LYS 26 HZ2 LYS 2 122.436 -8.874 10.315 425 3HZ LYS 26 HZ3 LYS 2 122.160 -10.379 11.054 426 H LEU 27 HN LEU 2 122.337 -10.039 2.045 427 HA LEU 27 HA LEU 2 122.776 -7.247 1.092 428 1HB LEU 27 HB2 LEU 2 124.296 -9.202 0.090 429 2HB LEU 27 HB1 LEU 2 122.860 -9.484 -0.891 430 HG LEU 27 HG LEU 2 124.313 -7.950 -2.079 431 1HD1 LEU 27 HD11 LEU 2 122.750 -6.280 -2.579 432 2HD1 LEU 27 HD12 LEU 2 122.208 -6.152 -0.908 433 3HD1 LEU 27 HD13 LEU 2 121.743 -7.548 -1.882 434 1HD2 LEU 27 HD21 LEU 2 125.033 -7.076 0.459 435 2HD2 LEU 27 HD22 LEU 2 124.131 -5.714 -0.203 436 3HD2 LEU 27 HD23 LEU 2 125.536 -6.342 -1.064 437 H ILE 28 HN ILE 2 120.915 -6.353 0.283 438 HA ILE 28 HA ILE 2 118.569 -8.174 -0.045 439 HB ILE 28 HB ILE 2 118.594 -5.149 0.189 440 1HG1 ILE 28 HG12 ILE 2 117.960 -7.184 2.345 441 2HG1 ILE 28 HG11 ILE 2 119.508 -6.347 2.220 442 1HG2 ILE 28 HG21 ILE 2 116.265 -5.288 0.355 443 2HG2 ILE 28 HG22 ILE 2 116.302 -6.987 0.823 444 3HG2 ILE 28 HG23 ILE 2 116.622 -6.526 -0.849 445 1HD1 ILE 28 HD11 ILE 2 118.661 -4.458 3.122 446 2HD1 ILE 28 HD12 ILE 2 117.251 -5.418 3.566 447 3HD1 ILE 28 HD13 ILE 2 117.254 -4.500 2.060 448 H ALA 29 HN ALA 2 117.827 -8.502 -2.109 449 HA ALA 29 HA ALA 2 119.073 -6.874 -4.264 450 1HB ALA 29 HB1 ALA 2 119.296 -9.331 -4.417 451 2HB ALA 29 HB2 ALA 2 118.360 -8.687 -5.765 452 3HB ALA 29 HB3 ALA 2 117.540 -9.484 -4.423 453 H GLY 30 HN GLY 3 117.860 -5.606 -5.606 454 1HA GLY 30 HA2 GLY 3 114.893 -5.753 -5.362 455 2HA GLY 30 HA1 GLY 3 115.712 -4.196 -5.234 456 HA PRO 31 HA PRO 3 114.597 -5.737 -9.759 457 1HB PRO 31 HB2 PRO 3 113.178 -3.114 -9.544 458 2HB PRO 31 HB1 PRO 3 112.701 -4.587 -10.409 459 1HG PRO 31 HG2 PRO 3 111.616 -3.866 -8.056 460 2HG PRO 31 HG1 PRO 3 111.809 -5.552 -8.553 461 1HD PRO 31 HD2 PRO 3 113.246 -4.068 -6.448 462 2HD PRO 31 HD1 PRO 3 113.093 -5.821 -6.694 463 H SER 32 HN SER 3 115.875 -2.923 -8.104 464 HA SER 32 HA SER 3 117.830 -2.547 -10.244 465 1HB SER 32 HB2 SER 3 117.075 0.016 -10.252 466 2HB SER 32 HB1 SER 3 116.384 -1.156 -11.371 467 HG SER 32 HG SER 3 114.662 -0.207 -10.419 468 H VAL 33 HN VAL 3 117.028 -2.485 -7.042 469 HA VAL 33 HA VAL 3 119.306 -0.639 -6.422 470 HB VAL 33 HB VAL 3 116.747 -1.043 -4.851 471 1HG1 VAL 33 HG11 VAL 3 119.413 -0.011 -4.126 472 2HG1 VAL 33 HG12 VAL 3 118.099 -0.561 -3.086 473 3HG1 VAL 33 HG13 VAL 3 118.084 1.080 -3.733 474 1HG2 VAL 33 HG21 VAL 3 116.953 0.494 -6.994 475 2HG2 VAL 33 HG22 VAL 3 117.796 1.574 -5.883 476 3HG2 VAL 33 HG23 VAL 3 116.133 1.093 -5.553 477 H TYR 34 HN TYR 3 120.901 -1.514 -5.211 478 HA TYR 34 HA TYR 3 120.331 -4.064 -3.750 479 1HB TYR 34 HB2 TYR 3 122.834 -3.295 -5.284 480 2HB TYR 34 HB1 TYR 3 122.662 -4.747 -4.298 481 HD1 TYR 34 HD1 TYR 3 121.326 -2.971 -7.284 482 HD2 TYR 34 HD2 TYR 3 121.500 -6.666 -5.101 483 HE1 TYR 34 HE1 TYR 3 120.254 -4.146 -9.186 484 HE2 TYR 34 HE2 TYR 3 120.427 -7.840 -7.002 485 HH TYR 34 HH TYR 3 119.355 -6.058 -9.892 486 H ILE 35 HN ILE 3 120.762 -3.870 -1.590 487 HA ILE 35 HA ILE 3 122.872 -1.959 -0.738 488 HB ILE 35 HB ILE 3 120.496 -0.945 -0.746 489 1HG1 ILE 35 HG12 ILE 3 121.549 -0.878 2.046 490 2HG1 ILE 35 HG11 ILE 3 122.627 -0.327 0.764 491 1HG2 ILE 35 HG21 ILE 3 120.075 -2.274 1.878 492 2HG2 ILE 35 HG22 ILE 3 119.776 -3.245 0.439 493 3HG2 ILE 35 HG23 ILE 3 118.896 -1.740 0.681 494 1HD1 ILE 35 HD11 ILE 3 120.785 1.186 -0.039 495 2HD1 ILE 35 HD12 ILE 3 121.362 1.584 1.576 496 3HD1 ILE 35 HD13 ILE 3 119.850 0.710 1.375 497 H CYS 36 HN CYS 3 123.820 -2.516 1.317 498 HA CYS 36 HA CYS 3 123.168 -5.291 2.196 499 1HB CYS 36 HB2 CYS 3 125.585 -4.144 3.362 500 2HB CYS 36 HB1 CYS 3 125.391 -5.628 2.427 501 H ASP 37 HN ASP 3 124.058 -5.365 4.758 502 HA ASP 37 HA ASP 3 121.966 -3.939 6.164 503 1HB ASP 37 HB2 ASP 3 122.853 -6.221 6.769 504 2HB ASP 37 HB1 ASP 3 124.301 -5.423 7.383 505 H GLU 38 HN GLU 3 125.497 -3.484 5.951 506 HA GLU 38 HA GLU 3 125.708 -1.574 8.062 507 1HB GLU 38 HB2 GLU 3 127.376 -1.911 5.557 508 2HB GLU 38 HB1 GLU 3 127.825 -0.892 6.925 509 1HG GLU 38 HG2 GLU 3 127.718 -2.876 8.414 510 2HG GLU 38 HG1 GLU 3 127.340 -3.884 7.016 511 H CYS 39 HN CYS 3 125.034 -1.113 4.610 512 HA CYS 39 HA CYS 3 125.213 1.728 4.551 513 1HB CYS 39 HB2 CYS 3 123.221 1.145 2.745 514 2HB CYS 39 HB1 CYS 3 124.949 1.024 2.400 515 H VAL 40 HN VAL 4 122.271 -0.303 4.927 516 HA VAL 40 HA VAL 4 120.588 1.966 5.491 517 HB VAL 40 HB VAL 4 118.879 0.379 6.007 518 1HG1 VAL 40 HG11 VAL 4 120.571 -1.190 4.080 519 2HG1 VAL 40 HG12 VAL 4 119.992 0.416 3.636 520 3HG1 VAL 40 HG13 VAL 4 118.840 -0.862 4.024 521 1HG2 VAL 40 HG21 VAL 4 119.494 -2.065 6.321 522 2HG2 VAL 40 HG22 VAL 4 120.007 -1.008 7.636 523 3HG2 VAL 40 HG23 VAL 4 121.177 -1.554 6.435 524 H ASP 41 HN ASP 4 122.337 -0.336 7.570 525 HA ASP 41 HA ASP 4 121.226 0.527 10.046 526 1HB ASP 41 HB2 ASP 4 123.977 -0.570 9.398 527 2HB ASP 41 HB1 ASP 4 123.364 -0.351 11.037 528 H LEU 42 HN LEU 4 124.158 1.640 8.327 529 HA LEU 42 HA LEU 4 124.661 3.739 10.281 530 1HB LEU 42 HB2 LEU 4 125.758 3.366 7.476 531 2HB LEU 42 HB1 LEU 4 126.392 4.480 8.687 532 HG LEU 42 HG LEU 4 126.256 1.462 8.959 533 1HD1 LEU 42 HD11 LEU 4 128.061 1.851 7.526 534 2HD1 LEU 42 HD12 LEU 4 128.837 1.932 9.107 535 3HD1 LEU 42 HD13 LEU 4 128.426 3.417 8.250 536 1HD2 LEU 42 HD21 LEU 4 126.905 3.699 10.836 537 2HD2 LEU 42 HD22 LEU 4 127.864 2.224 10.950 538 3HD2 LEU 42 HD23 LEU 4 126.115 2.157 11.164 539 H CYS 43 HN CYS 4 123.219 3.596 7.032 540 HA CYS 43 HA CYS 4 122.830 6.443 6.811 541 1HB CYS 43 HB2 CYS 4 121.390 4.157 5.436 542 2HB CYS 43 HB1 CYS 4 121.288 5.852 4.963 543 HG CYS 43 HG CYS 4 123.383 5.525 3.699 544 H ASN 44 HN ASN 4 120.680 3.782 7.844 545 HA ASN 44 HA ASN 4 118.346 5.347 8.216 546 1HB ASN 44 HB2 ASN 4 119.302 2.910 9.745 547 2HB ASN 44 HB1 ASN 4 117.676 3.582 9.860 548 1HD2 ASN 44 HD21 ASN 4 118.108 0.929 8.873 549 2HD2 ASN 44 HD22 ASN 4 117.702 0.898 7.225 550 H ASP 45 HN ASP 4 121.094 4.763 10.394 551 HA ASP 45 HA ASP 4 119.970 6.079 12.673 552 1HB ASP 45 HB2 ASP 4 122.855 5.720 11.814 553 2HB ASP 45 HB1 ASP 4 122.360 6.323 13.396 554 H ILE 46 HN ILE 4 121.930 7.291 9.960 555 HA ILE 46 HA ILE 4 122.138 9.978 10.987 556 HB ILE 46 HB ILE 4 122.354 8.963 8.138 557 1HG1 ILE 46 HG12 ILE 4 124.521 9.551 10.179 558 2HG1 ILE 46 HG11 ILE 4 123.927 7.932 9.810 559 1HG2 ILE 46 HG21 ILE 4 123.187 11.561 9.459 560 2HG2 ILE 46 HG22 ILE 4 122.019 11.362 8.153 561 3HG2 ILE 46 HG23 ILE 4 123.731 11.054 7.860 562 1HD1 ILE 46 HD11 ILE 4 125.361 9.846 7.959 563 2HD1 ILE 46 HD12 ILE 4 124.492 8.429 7.368 564 3HD1 ILE 46 HD13 ILE 4 125.869 8.231 8.452 565 H ILE 47 HN ILE 4 120.076 8.611 8.387 566 HA ILE 47 HA ILE 4 118.596 11.018 7.966 567 HB ILE 47 HB ILE 4 118.703 8.968 6.451 568 1HG1 ILE 47 HG12 ILE 4 115.884 9.887 7.058 569 2HG1 ILE 47 HG11 ILE 4 117.067 10.937 6.279 570 1HG2 ILE 47 HG21 ILE 4 117.477 7.070 6.939 571 2HG2 ILE 47 HG22 ILE 4 116.328 7.945 7.951 572 3HG2 ILE 47 HG23 ILE 4 117.932 7.559 8.570 573 1HD1 ILE 47 HD11 ILE 4 115.643 9.734 4.631 574 2HD1 ILE 47 HD12 ILE 4 116.254 8.203 5.256 575 3HD1 ILE 47 HD13 ILE 4 117.351 9.331 4.461 576 H ARG 48 HN ARG 4 118.178 8.391 10.285 577 HA ARG 48 HA ARG 4 115.553 9.438 11.129 578 1HB ARG 48 HB2 ARG 4 117.281 7.201 12.233 579 2HB ARG 48 HB1 ARG 4 115.672 7.609 12.827 580 1HG ARG 48 HG2 ARG 4 114.735 7.191 10.577 581 2HG ARG 48 HG1 ARG 4 116.340 6.756 9.993 582 1HD ARG 48 HD2 ARG 4 116.403 4.975 11.796 583 2HD ARG 48 HD1 ARG 4 114.700 5.322 12.095 584 HE ARG 48 HE ARG 4 114.806 4.857 9.367 585 1HH1 ARG 48 HH21 ARG 4 115.825 3.220 12.226 586 2HH1 ARG 48 HH22 ARG 4 115.626 1.637 11.550 587 1HH2 ARG 48 HH11 ARG 4 114.543 2.800 8.468 588 2HH2 ARG 48 HH12 ARG 4 114.900 1.400 9.423
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