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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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12844 |
1tor ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Raw file had 72 H/Q atoms Start of MODEL 1 1 1H TRP 1 HT1 TRP 1 -2.461 6.326 -2.131 2 2H TRP 1 HT2 TRP 1 -2.418 5.090 -3.226 3 3H TRP 1 HT3 TRP 1 -3.094 4.850 -1.737 4 HA TRP 1 HA TRP 1 -0.919 3.797 -1.828 5 1HB TRP 1 HB1 TRP 1 -0.161 5.547 -3.606 6 2HB TRP 1 HB2 TRP 1 0.147 6.666 -2.284 7 QB QB TRP 1 -0.014 6.106 -2.945 8 HD1 TRP 1 HD1 TRP 1 2.043 5.732 -0.340 9 HE1 TRP 1 HE1 TRP 1 4.451 4.852 -0.931 10 HE3 TRP 1 HE3 TRP 1 1.054 4.404 -5.055 11 HZ2 TRP 1 HZ2 TRP 1 5.576 3.699 -3.160 12 HZ3 TRP 1 HZ3 TRP 1 2.910 3.666 -6.495 13 HH2 TRP 1 HH2 TRP 1 5.153 3.327 -5.559 14 H ASN 2 HN ASN 2 -1.424 3.351 0.229 15 HA ASN 2 HA ASN 2 -0.368 5.184 2.362 16 1HB ASN 2 HB1 ASN 2 -2.495 5.443 3.609 17 2HB ASN 2 HB2 ASN 2 -2.654 6.135 2.007 18 QB ASN 2 QB ASN 2 -2.575 5.789 2.808 19 1HD2 ASN 2 HD21 ASN 2 -5.439 4.084 1.192 20 2HD2 ASN 2 HD22 ASN 2 -4.289 5.438 0.733 21 HA PRO 3 HA PRO 3 0.509 1.432 4.449 22 1HB PRO 3 HB1 PRO 3 -1.034 2.215 6.955 23 2HB PRO 3 HB2 PRO 3 0.660 1.685 6.791 24 1HG PRO 3 HG1 PRO 3 0.035 4.337 7.119 25 2HG PRO 3 HG2 PRO 3 1.389 3.838 6.077 26 1HD PRO 3 HD1 PRO 3 -1.346 4.849 5.265 27 2HD PRO 3 HD2 PRO 3 0.219 5.016 4.410 28 QD PRO 3 QD PRO 3 -0.564 4.933 4.838 29 H ALA 4 HN ALA 4 -2.959 2.140 4.707 30 HA ALA 4 HA ALA 4 -3.598 -0.828 4.974 31 1HB ALA 4 HB1 ALA 4 -5.980 -0.060 5.056 32 2HB ALA 4 HB2 ALA 4 -4.997 0.855 6.224 33 3HB ALA 4 HB3 ALA 4 -5.479 1.609 4.682 34 QB ALA 4 QB ALA 4 -5.491 0.801 5.321 35 H ASP 5 HN ASP 5 -2.370 0.665 2.458 36 HA ASP 5 HA ASP 5 -4.183 -0.796 0.481 37 1HB ASP 5 HB1 ASP 5 -4.844 1.647 0.557 38 2HB ASP 5 HB2 ASP 5 -3.192 2.120 0.146 39 QB ASP 5 QB ASP 5 -4.023 1.883 0.351 40 H TYR 6 HN TYR 6 -1.349 1.358 -0.004 41 HA TYR 6 HA TYR 6 -0.026 -0.807 -1.594 42 1HB TYR 6 HB1 TYR 6 0.115 1.676 -2.154 43 2HB TYR 6 HB2 TYR 6 1.116 1.928 -0.724 44 QB TYR 6 QB TYR 6 0.616 1.802 -1.439 45 HD1 TYR 6 HD1 TYR 6 3.408 0.874 -0.628 46 HD2 TYR 6 HD2 TYR 6 1.021 0.629 -4.147 47 HE1 TYR 6 HE1 TYR 6 5.379 0.229 -1.925 48 HE2 TYR 6 HE2 TYR 6 3.004 0.006 -5.440 49 HH TYR 6 HH TYR 6 6.176 -0.311 -3.900 50 H GLY 7 HN GLY 7 0.614 0.789 1.567 51 1HA GLY 7 HA1 GLY 7 3.053 -0.717 2.196 52 2HA GLY 7 HA2 GLY 7 2.023 0.069 3.391 53 H GLY 8 HN GLY 8 -0.351 -1.653 2.457 54 1HA GLY 8 HA1 GLY 8 0.106 -3.954 4.304 55 2HA GLY 8 HA2 GLY 8 -1.337 -3.703 3.314 56 H ILE 9 HN ILE 9 -0.834 -3.911 0.838 57 HA ILE 9 HA ILE 9 0.073 -6.755 0.680 58 HB ILE 9 HB ILE 9 -2.144 -5.994 -0.204 59 1HG1 ILE 9 HG11 ILE 9 -2.026 -7.291 -2.405 60 2HG1 ILE 9 HG12 ILE 9 -0.274 -7.387 -2.223 61 1HG2 ILE 9 HG21 ILE 9 -1.288 -3.829 -1.324 62 2HG2 ILE 9 HG22 ILE 9 -0.664 -4.850 -2.643 63 3HG2 ILE 9 HG23 ILE 9 -2.408 -4.809 -2.299 64 2QG ILE 9 QG2 ILE 9 -1.453 -4.496 -2.088 65 1HD1 ILE 9 HD1 ILE 9 -0.528 -8.690 -0.091 66 2HD1 ILE 9 HD2 ILE 9 -2.296 -8.451 -0.122 67 3HD1 ILE 9 HD3 ILE 9 -1.507 -9.453 -1.366 68 H LYS 10 HN LYS 10 0.973 -3.759 -1.108 69 HA LYS 10 HA LYS 10 2.953 -5.294 -2.707 70 1HB LYS 10 HB1 LYS 10 2.655 -2.231 -2.470 71 2HB LYS 10 HB2 LYS 10 3.591 -3.079 -3.698 72 QB LYS 10 QB LYS 10 3.123 -2.655 -3.084 73 1HG LYS 10 HG1 LYS 10 0.533 -3.218 -3.330 74 2HG LYS 10 HG2 LYS 10 1.387 -2.314 -4.572 75 QG LYS 10 QG LYS 10 0.96O -2.766 -3.951 76 1HD LYS 10 HD1 LYS 10 2.282 -4.422 -5.581 77 2HD LYS 10 HD2 LYS 10 1.532 -5.387 -4.299 78 QD LYS 10 QD LYS 10 1.907 -4.905 -4.940 79 1HE LYS 10 HE1 LYS 10 -0.751 -4.559 -4.977 80 2HE LYS 10 HE2 LYS 10 -0.025 -3.580 -6.265 81 1HZ LYS 10 HZ1 LYS 10 -0.866 -5.851 -6.926 82 2HZ LYS 10 HZ2 LYS 10 0.691 -5.538 -7.383 83 3HZ LYS 10 HZ3 LYS 10 0.391 -6.524 -6.090 Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 75 H/Q atoms Start of MODEL 1 1 1H TRP 1 1H TRP 1 -2.695 3.980 -1.479 2 2H TRP 1 2H TRP 1 -2.561 5.655 -1.437 3 3H TRP 1 3H TRP 1 -2.204 4.818 -2.851 4 HA TRP 1 HA TRP 1 -0.347 3.760 -1.883 5 1HB TRP 1 1HB TRP 1 -0.274 6.094 -2.955 6 2HB TRP 1 2HB TRP 1 -0.233 6.784 -1.335 7 HD1 TRP 1 HD1 TRP 1 2.186 6.546 0.000 8 HE1 TRP 1 HE1 TRP 1 4.617 5.770 -0.705 9 HE3 TRP 1 HE3 TRP 1 0.867 4.450 -4.377 10 HZ2 TRP 1 HZ2 TRP 1 5.607 4.418 -2.959 11 HZ3 TRP 1 HZ3 TRP 1 2.592 3.426 -5.787 12 HH2 TRP 1 HH2 TRP 1 4.927 3.411 -5.090 13 H ASN 2 H ASN 2 -2.369 5.327 0.410 14 HA ASN 2 HA ASN 2 -0.812 5.469 2.780 15 1HB ASN 2 1HB ASN 2 -2.997 5.226 3.996 16 2HB ASN 2 2HB ASN 2 -3.153 6.257 2.596 17 1HD2 ASN 2 1HD2 ASN 2 -5.666 4.215 1.127 18 2HD2 ASN 2 2HD2 ASN 2 -4.603 5.708 1.036 19 HA PRO 3 HA PRO 3 0.450 1.410 4.009 20 1HB PRO 3 1HB PRO 3 0.223 1.367 6.751 21 2HB PRO 3 2HB PRO 3 1.301 2.491 5.885 22 1HG PRO 3 1HG PRO 3 -1.586 3.122 6.706 23 2HG PRO 3 2HG PRO 3 -0.122 3.968 7.285 24 1HD PRO 3 1HD PRO 3 -1.359 4.987 5.128 25 2HD PRO 3 2HD PRO 3 0.406 4.718 4.964 26 H ALA 4 H ALA 4 -2.859 2.116 4.448 27 HA ALA 4 HA ALA 4 -3.441 -0.876 4.765 28 1HB ALA 4 3HB ALA 4 -4.728 0.619 6.309 29 2HB ALA 4 1HB ALA 4 -5.395 1.510 4.915 30 3HB ALA 4 2HB ALA 4 -5.814 -0.204 5.166 31 H ASP 5 H ASP 5 -2.239 0.235 2.406 32 HA ASP 5 HA ASP 5 -4.124 -0.923 0.396 33 1HB ASP 5 1HB ASP 5 -4.911 1.437 0.498 34 2HB ASP 5 2HB ASP 5 -3.284 2.024 0.147 35 H TYR 6 H TYR 6 -1.588 1.283 -0.413 36 HA TYR 6 HA TYR 6 -0.069 -0.813 -1.802 37 1HB TYR 6 1HB TYR 6 -0.022 1.589 -2.480 38 2HB TYR 6 2HB TYR 6 0.894 1.998 -1.032 39 HD1 TYR 6 HD2 TYR 6 0.991 0.134 -4.232 40 HD2 TYR 6 HD1 TYR 6 3.269 1.503 -0.926 41 HE1 TYR 6 HE2 TYR 6 3.048 -0.405 -5.421 42 HE2 TYR 6 HE1 TYR 6 5.321 0.958 -2.119 43 HH TYR 6 HH TYR 6 6.213 0.159 -3.954 44 H GLY 7 H GLY 7 0.626 0.907 1.235 45 1HA GLY 7 1HA GLY 7 3.044 -0.611 1.885 46 2HA GLY 7 2HA GLY 7 2.076 0.272 3.053 47 H GLY 8 H GLY 8 -0.230 -1.689 1.974 48 1HA GLY 8 1HA GLY 8 0.134 -3.661 4.219 49 2HA GLY 8 2HA GLY 8 -1.261 -3.559 3.126 50 H ILE 9 H ILE 9 -0.723 -3.990 0.812 51 HA ILE 9 HA ILE 9 0.350 -6.804 0.847 52 HB ILE 9 HB ILE 9 -1.941 -6.547 0.217 53 1HG1 ILE 9 1HG1 ILE 9 -1.982 -7.596 -2.039 54 2HG1 ILE 9 2HG1 ILE 9 -0.271 -7.214 -2.262 55 1HG2 ILE 9 3HG2 ILE 9 -2.015 -4.232 -0.655 56 2HG2 ILE 9 1HG2 ILE 9 -1.103 -4.708 -2.102 57 3HG2 ILE 9 2HG2 ILE 9 -2.732 -5.365 -1.817 58 1HD1 ILE 9 1HD1 ILE 9 -1.414 -9.045 -0.039 59 2HD1 ILE 9 2HD1 ILE 9 -0.596 -9.597 -1.523 60 3HD1 ILE 9 3HD1 ILE 9 0.319 -8.698 -0.289 61 H LYS 10 H LYS 10 0.671 -3.983 -1.397 62 HA LYS 10 HA LYS 10 3.112 -5.338 -2.569 63 1HB LYS 10 1HB LYS 10 1.716 -2.689 -3.274 64 2HB LYS 10 2HB LYS 10 3.272 -3.165 -3.937 65 1HG LYS 10 1HG LYS 10 1.605 -3.699 -5.553 66 2HG LYS 10 2HG LYS 10 2.356 -5.186 -4.980 67 1HD LYS 10 1HD LYS 10 0.341 -5.659 -3.542 68 2HD LYS 10 2HD LYS 10 -0.372 -4.117 -4.030 69 1HE LYS 10 1HE LYS 10 -1.398 -5.915 -5.326 70 2HE LYS 10 2HE LYS 10 -0.459 -4.890 -6.421 71 1HZ LYS 10 1HZ LYS 10 0.456 -7.499 -5.287 72 2HZ LYS 10 2HZ LYS 10 -0.066 -7.247 -6.834 73 3HZ LYS 10 3HZ LYS 10 1.339 -6.553 -6.314 No H/Q in entry = 73 Start of MODEL 2 Raw file had 75 H/Q atoms Start of MODEL 2 1 1H TRP 1 3H TRP 1 -2.815 4.980 -2.169 2 2H TRP 1 1H TRP 1 -2.208 6.502 -2.380 3 3H TRP 1 2H TRP 1 -1.832 5.305 -3.456 4 HA TRP 1 HA TRP 1 -0.617 4.061 -1.772 5 1HB TRP 1 1HB TRP 1 0.449 5.879 -3.273 6 2HB TRP 1 2HB TRP 1 0.320 7.001 -1.928 7 HD1 TRP 1 HD1 TRP 1 1.673 6.019 0.507 8 HE1 TRP 1 HE1 TRP 1 4.161 5.118 0.639 9 HE3 TRP 1 HE3 TRP 1 2.081 4.742 -4.351 10 HZ2 TRP 1 HZ2 TRP 1 5.899 4.023 -1.263 11 HZ3 TRP 1 HZ3 TRP 1 4.224 3.866 -5.190 12 HH2 TRP 1 HH2 TRP 1 6.113 3.515 -3.666 13 H ASN 2 H ASN 2 -1.295 3.488 0.169 14 HA ASN 2 HA ASN 2 -0.954 5.402 2.428 15 1HB ASN 2 1HB ASN 2 -3.238 5.250 3.369 16 2HB ASN 2 2HB ASN 2 -3.266 5.989 1.784 17 1HD2 ASN 2 1HD2 ASN 2 -5.502 3.559 0.457 18 2HD2 ASN 2 2HD2 ASN 2 -4.510 5.084 0.217 19 HA PRO 3 HA PRO 3 0.392 1.875 4.659 20 1HB PRO 3 1HB PRO 3 -1.620 2.455 6.882 21 2HB PRO 3 2HB PRO 3 0.127 2.133 7.013 22 1HG PRO 3 1HG PRO 3 -0.808 4.695 7.149 23 2HG PRO 3 2HG PRO 3 0.696 4.343 6.260 24 1HD PRO 3 1HD PRO 3 -2.062 4.940 5.135 25 2HD PRO 3 2HD PRO 3 -0.449 5.356 4.473 26 H ALA 4 H ALA 4 -3.193 1.963 4.692 27 HA ALA 4 HA ALA 4 -3.212 -1.099 4.659 28 1HB ALA 4 2HB ALA 4 -4.787 0.032 6.249 29 2HB ALA 4 3HB ALA 4 -5.563 0.890 4.890 30 3HB ALA 4 1HB ALA 4 -5.673 -0.886 5.009 31 H ASP 5 H ASP 5 -2.118 0.245 2.391 32 HA ASP 5 HA ASP 5 -3.846 -1.127 0.338 33 1HB ASP 5 1HB ASP 5 -4.740 1.237 0.410 34 2HB ASP 5 2HB ASP 5 -3.135 1.868 0.049 35 H TYR 6 H TYR 6 -1.155 1.256 0.150 36 HA TYR 6 HA TYR 6 0.437 -0.713 -1.458 37 1HB TYR 6 1HB TYR 6 0.432 1.858 -1.815 38 2HB TYR 6 2HB TYR 6 1.438 1.990 -0.378 39 HD1 TYR 6 HD1 TYR 6 3.757 1.007 -0.415 40 HD2 TYR 6 HD2 TYR 6 1.278 0.871 -3.876 41 HE1 TYR 6 HE1 TYR 6 5.692 0.403 -1.782 42 HE2 TYR 6 HE2 TYR 6 3.220 0.279 -5.238 43 HH TYR 6 HH TYR 6 6.435 -0.074 -3.795 44 H GLY 7 H GLY 7 0.662 0.740 1.821 45 1HA GLY 7 1HA GLY 7 3.128 -0.566 2.646 46 2HA GLY 7 2HA GLY 7 1.875 -0.016 3.751 47 H GLY 8 H GLY 8 -0.239 -1.779 2.782 48 1HA GLY 8 1HA GLY 8 0.458 -4.166 4.410 49 2HA GLY 8 2HA GLY 8 -1.079 -3.900 3.589 50 H ILE 9 H ILE 9 -1.136 -4.282 1.237 51 HA ILE 9 HA ILE 9 0.071 -6.942 0.826 52 HB ILE 9 HB ILE 9 -2.286 -6.476 0.288 53 1HG1 ILE 9 1HG1 ILE 9 -2.403 -7.633 -1.956 54 2HG1 ILE 9 2HG1 ILE 9 -0.660 -7.459 -2.136 55 1HG2 ILE 9 2HG2 ILE 9 -2.095 -4.191 -0.720 56 2HG2 ILE 9 3HG2 ILE 9 -1.291 -4.878 -2.156 57 3HG2 ILE 9 1HG2 ILE 9 -2.979 -5.304 -1.784 58 1HD1 ILE 9 2HD1 ILE 9 -2.051 -8.979 0.184 59 2HD1 ILE 9 3HD1 ILE 9 -1.332 -9.738 -1.259 60 3HD1 ILE 9 1HD1 ILE 9 -0.289 -8.894 -0.090 61 H LYS 10 H LYS 10 0.647 -3.809 -0.815 62 HA LYS 10 HA LYS 10 2.346 -5.128 -2.879 63 1HB LYS 10 1HB LYS 10 2.143 -2.130 -2.203 64 2HB LYS 10 2HB LYS 10 2.935 -2.802 -3.618 65 1HG LYS 10 1HG LYS 10 -0.078 -3.050 -2.988 66 2HG LYS 10 2HG LYS 10 0.650 -1.895 -4.100 67 1HD LYS 10 1HD LYS 10 1.553 -3.817 -5.502 68 2HD LYS 10 2HD LYS 10 0.756 -4.964 -4.415 69 1HE LYS 10 1HE LYS 10 -1.490 -3.911 -4.947 70 2HE LYS 10 2HE LYS 10 -0.692 -2.773 -6.048 71 1HZ LYS 10 3HZ LYS 10 0.101 -4.686 -7.350 72 2HZ LYS 10 1HZ LYS 10 -0.649 -5.744 -6.327 73 3HZ LYS 10 2HZ LYS 10 -1.548 -4.701 -7.240 No H/Q in entry = 73 Start of MODEL 3 Raw file had 75 H/Q atoms Start of MODEL 3 1 1H TRP 1 3H TRP 1 -1.366 6.020 -0.746 2 2H TRP 1 1H TRP 1 -1.351 5.485 -2.308 3 3H TRP 1 2H TRP 1 -1.976 4.530 -1.115 4 HA TRP 1 HA TRP 1 0.171 3.696 -1.769 5 1HB TRP 1 1HB TRP 1 0.819 6.121 -2.493 6 2HB TRP 1 2HB TRP 1 1.330 6.377 -0.824 7 HD1 TRP 1 HD1 TRP 1 3.679 5.182 -0.081 8 HE1 TRP 1 HE1 TRP 1 5.595 3.905 -1.389 9 HE3 TRP 1 HE3 TRP 1 1.122 4.545 -4.349 10 HZ2 TRP 1 HZ2 TRP 1 5.741 2.829 -3.965 11 HZ3 TRP 1 HZ3 TRP 1 2.193 3.390 -6.229 12 HH2 TRP 1 HH2 TRP 1 4.464 2.542 -6.038 13 H ASN 2 H ASN 2 -0.982 5.511 0.983 14 HA ASN 2 HA ASN 2 0.856 4.437 2.972 15 1HB ASN 2 1HB ASN 2 -0.716 5.356 4.607 16 2HB ASN 2 2HB ASN 2 -0.618 6.449 3.246 17 1HD2 ASN 2 1HD2 ASN 2 -4.087 6.204 2.509 18 2HD2 ASN 2 2HD2 ASN 2 -2.433 6.834 2.027 19 HA PRO 3 HA PRO 3 -0.330 0.320 3.529 20 1HB PRO 3 1HB PRO 3 -0.348 -0.148 6.304 21 2HB PRO 3 2HB PRO 3 1.103 0.106 5.304 22 1HG PRO 3 1HG PRO 3 -0.390 2.151 7.003 23 2HG PRO 3 2HG PRO 3 1.371 1.884 6.894 24 1HD PRO 3 1HD PRO 3 0.136 3.907 5.521 25 2HD PRO 3 2HD PRO 3 1.503 3.022 4.768 26 H ALA 4 H ALA 4 -2.770 2.352 3.992 27 HA ALA 4 HA ALA 4 -4.804 0.380 4.989 28 1HB ALA 4 1HB ALA 4 -5.287 2.824 5.120 29 2HB ALA 4 2HB ALA 4 -5.177 2.967 3.343 30 3HB ALA 4 3HB ALA 4 -6.484 2.004 4.086 31 H ASP 5 H ASP 5 -3.394 1.317 1.865 32 HA ASP 5 HA ASP 5 -4.950 -1.014 0.661 33 1HB ASP 5 1HB ASP 5 -5.341 0.184 -1.414 34 2HB ASP 5 2HB ASP 5 -6.065 1.021 -0.047 35 H TYR 6 H TYR 6 -2.218 1.132 -0.334 36 HA TYR 6 HA TYR 6 -1.157 -1.227 -1.833 37 1HB TYR 6 1HB TYR 6 -1.188 1.173 -2.706 38 2HB TYR 6 2HB TYR 6 0.102 1.568 -1.573 39 HD1 TYR 6 HD1 TYR 6 2.362 0.623 -1.921 40 HD2 TYR 6 HD2 TYR 6 -0.776 -0.222 -4.641 41 HE1 TYR 6 HE1 TYR 6 3.987 -0.146 -3.566 42 HE2 TYR 6 HE2 TYR 6 0.857 -0.978 -6.284 43 HH TYR 6 HH TYR 6 4.308 -0.983 -5.563 44 H GLY 7 H GLY 7 0.097 0.832 0.813 45 1HA GLY 7 1HA GLY 7 2.715 -0.223 0.888 46 2HA GLY 7 2HA GLY 7 1.925 0.457 2.310 47 H GLY 8 H GLY 8 0.013 -1.407 2.930 48 1HA GLY 8 1HA GLY 8 1.545 -3.280 4.457 49 2HA GLY 8 2HA GLY 8 -0.187 -3.450 4.167 50 H ILE 9 H ILE 9 -0.070 -3.865 1.322 51 HA ILE 9 HA ILE 9 0.977 -6.707 1.427 52 HB ILE 9 HB ILE 9 -1.359 -6.522 0.918 53 1HG1 ILE 9 1HG1 ILE 9 -1.435 -7.726 -1.321 54 2HG1 ILE 9 2HG1 ILE 9 0.292 -7.419 -1.512 55 1HG2 ILE 9 3HG2 ILE 9 -1.437 -4.254 -0.145 56 2HG2 ILE 9 1HG2 ILE 9 -0.681 -4.913 -1.620 57 3HG2 ILE 9 2HG2 ILE 9 -2.285 -5.486 -1.108 58 1HD1 ILE 9 2HD1 ILE 9 -0.980 -8.979 0.843 59 2HD1 ILE 9 3HD1 ILE 9 -0.159 -9.705 -0.562 60 3HD1 ILE 9 1HD1 ILE 9 0.771 -8.724 0.598 61 H LYS 10 H LYS 10 0.885 -4.210 -1.196 62 HA LYS 10 HA LYS 10 3.496 -5.371 -2.202 63 1HB LYS 10 1HB LYS 10 1.695 -3.107 -3.264 64 2HB LYS 10 2HB LYS 10 3.327 -3.369 -3.863 65 1HG LYS 10 1HG LYS 10 1.950 -4.493 -5.404 66 2HG LYS 10 2HG LYS 10 2.728 -5.768 -4.466 67 1HD LYS 10 1HD LYS 10 0.649 -6.090 -3.119 68 2HD LYS 10 2HD LYS 10 -0.099 -4.682 -3.881 69 1HE LYS 10 1HE LYS 10 -1.007 -6.664 -4.956 70 2HE LYS 10 2HE LYS 10 0.026 -5.847 -6.138 71 1HZ LYS 10 3HZ LYS 10 0.883 -8.168 -4.462 72 2HZ LYS 10 1HZ LYS 10 0.407 -8.261 -6.040 73 3HZ LYS 10 2HZ LYS 10 1.787 -7.445 -5.642 No H/Q in entry = 73 Start of MODEL 4 Raw file had 75 H/Q atoms Start of MODEL 4 1 1H TRP 1 3H TRP 1 -1.740 3.694 -1.397 2 2H TRP 1 1H TRP 1 -1.802 5.328 -1.163 3 3H TRP 1 2H TRP 1 -1.298 4.720 -2.614 4 HA TRP 1 HA TRP 1 0.670 3.738 -1.619 5 1HB TRP 1 1HB TRP 1 0.636 6.110 -2.547 6 2HB TRP 1 2HB TRP 1 0.348 6.721 -0.915 7 HD1 TRP 1 HD1 TRP 1 2.505 6.834 0.748 8 HE1 TRP 1 HE1 TRP 1 5.111 6.358 0.456 9 HE3 TRP 1 HE3 TRP 1 2.168 4.584 -3.696 10 HZ2 TRP 1 HZ2 TRP 1 6.581 5.130 -1.560 11 HZ3 TRP 1 HZ3 TRP 1 4.197 3.753 -4.805 12 HH2 TRP 1 HH2 TRP 1 6.385 4.023 -3.746 13 H ASN 2 H ASN 2 -1.534 5.307 0.651 14 HA ASN 2 HA ASN 2 0.110 5.009 3.037 15 1HB ASN 2 1HB ASN 2 -2.035 5.236 4.309 16 2HB ASN 2 2HB ASN 2 -1.920 6.425 3.016 17 1HD2 ASN 2 1HD2 ASN 2 -4.887 5.334 1.433 18 2HD2 ASN 2 2HD2 ASN 2 -3.498 6.527 1.557 19 HA PRO 3 HA PRO 3 0.126 0.678 3.693 20 1HB PRO 3 1HB PRO 3 0.522 0.482 6.424 21 2HB PRO 3 2HB PRO 3 1.689 1.274 5.333 22 1HG PRO 3 1HG PRO 3 -0.510 2.656 6.955 23 2HG PRO 3 2HG PRO 3 1.239 3.018 6.981 24 1HD PRO 3 1HD PRO 3 -0.451 4.453 5.368 25 2HD PRO 3 2HD PRO 3 1.155 3.970 4.734 26 H ALA 4 H ALA 4 -2.656 1.968 3.839 27 HA ALA 4 HA ALA 4 -3.939 -0.444 5.223 28 1HB ALA 4 3HB ALA 4 -4.794 1.775 6.048 29 2HB ALA 4 1HB ALA 4 -5.272 2.212 4.385 30 3HB ALA 4 2HB ALA 4 -6.076 0.856 5.217 31 H ASP 5 H ASP 5 -2.863 0.477 2.258 32 HA ASP 5 HA ASP 5 -4.707 -1.509 0.958 33 1HB ASP 5 1HB ASP 5 -5.929 0.644 0.717 34 2HB ASP 5 2HB ASP 5 -4.532 1.382 -0.060 35 H TYR 6 H TYR 6 -2.733 0.955 -0.608 36 HA TYR 6 HA TYR 6 -1.280 -1.105 -2.116 37 1HB TYR 6 1HB TYR 6 -1.682 1.223 -2.964 38 2HB TYR 6 2HB TYR 6 -0.582 1.861 -1.742 39 HD1 TYR 6 HD2 TYR 6 -0.776 -0.353 -4.712 40 HD2 TYR 6 HD1 TYR 6 1.785 1.743 -2.077 41 HE1 TYR 6 HE2 TYR 6 1.105 -0.773 -6.201 42 HE2 TYR 6 HE1 TYR 6 3.663 1.319 -3.568 43 HH TYR 6 HH TYR 6 4.340 0.404 -5.432 44 H GLY 7 H GLY 7 -0.312 0.983 0.600 45 1HA GLY 7 1HA GLY 7 2.408 -0.152 0.800 46 2HA GLY 7 2HA GLY 7 1.612 0.793 2.056 47 H GLY 8 H GLY 8 -0.635 -1.485 1.644 48 1HA GLY 8 1HA GLY 8 0.233 -3.052 4.026 49 2HA GLY 8 2HA GLY 8 -1.218 -3.370 3.054 50 H ILE 9 H ILE 9 -0.628 -4.034 0.718 51 HA ILE 9 HA ILE 9 0.842 -6.605 1.168 52 HB ILE 9 HB ILE 9 -1.385 -6.676 0.205 53 1HG1 ILE 9 1HG1 ILE 9 -0.980 -8.040 -1.819 54 2HG1 ILE 9 2HG1 ILE 9 0.696 -7.489 -1.907 55 1HG2 ILE 9 1HG2 ILE 9 -1.432 -4.480 -0.996 56 2HG2 ILE 9 2HG2 ILE 9 -0.294 -5.108 -2.212 57 3HG2 ILE 9 3HG2 ILE 9 -1.919 -5.815 -2.066 58 1HD1 ILE 9 1HD1 ILE 9 -0.541 -9.055 0.468 59 2HD1 ILE 9 2HD1 ILE 9 0.508 -9.751 -0.794 60 3HD1 ILE 9 3HD1 ILE 9 1.167 -8.553 0.345 61 H LYS 10 H LYS 10 1.112 -3.860 -1.142 62 HA LYS 10 HA LYS 10 3.838 -4.922 -1.960 63 1HB LYS 10 1HB LYS 10 2.215 -2.461 -2.841 64 2HB LYS 10 2HB LYS 10 3.937 -2.597 -3.181 65 1HG LYS 10 1HG LYS 10 2.745 -3.380 -5.127 66 2HG LYS 10 2HG LYS 10 3.593 -4.745 -4.401 67 1HD LYS 10 1HD LYS 10 1.450 -5.530 -3.340 68 2HD LYS 10 2HD LYS 10 0.606 -4.107 -3.971 69 1HE LYS 10 1HE LYS 10 0.142 -6.025 -5.441 70 2HE LYS 10 2HE LYS 10 1.126 -4.854 -6.336 71 1HZ LYS 10 2HZ LYS 10 2.176 -7.293 -4.967 72 2HZ LYS 10 3HZ LYS 10 1.971 -7.115 -6.597 73 3HZ LYS 10 1HZ LYS 10 3.098 -6.206 -5.801 No H/Q in entry = 73 Start of MODEL 5 Raw file had 75 H/Q atoms Start of MODEL 5 1 1H TRP 1 3H TRP 1 -3.094 4.850 -1.737 2 2H TRP 1 1H TRP 1 -2.461 6.326 -2.131 3 3H TRP 1 2H TRP 1 -2.418 5.090 -3.226 4 HA TRP 1 HA TRP 1 -0.919 3.797 -1.828 5 1HB TRP 1 1HB TRP 1 -0.161 5.547 -3.606 6 2HB TRP 1 2HB TRP 1 0.147 6.666 -2.284 7 HD1 TRP 1 HD1 TRP 1 2.043 5.732 -0.340 8 HE1 TRP 1 HE1 TRP 1 4.451 4.852 -0.931 9 HE3 TRP 1 HE3 TRP 1 1.054 4.404 -5.055 10 HZ2 TRP 1 HZ2 TRP 1 5.576 3.699 -3.160 11 HZ3 TRP 1 HZ3 TRP 1 2.910 3.666 -6.495 12 HH2 TRP 1 HH2 TRP 1 5.153 3.327 -5.559 13 H ASN 2 H ASN 2 -1.424 3.351 0.229 14 HA ASN 2 HA ASN 2 -0.368 5.184 2.362 15 1HB ASN 2 1HB ASN 2 -2.495 5.443 3.609 16 2HB ASN 2 2HB ASN 2 -2.654 6.135 2.007 17 1HD2 ASN 2 1HD2 ASN 2 -5.439 4.084 1.192 18 2HD2 ASN 2 2HD2 ASN 2 -4.289 5.438 0.733 19 HA PRO 3 HA PRO 3 0.509 1.432 4.449 20 1HB PRO 3 1HB PRO 3 -1.034 2.215 6.955 21 2HB PRO 3 2HB PRO 3 0.660 1.685 6.791 22 1HG PRO 3 1HG PRO 3 0.035 4.337 7.119 23 2HG PRO 3 2HG PRO 3 1.389 3.838 6.077 24 1HD PRO 3 1HD PRO 3 -1.346 4.849 5.265 25 2HD PRO 3 2HD PRO 3 0.219 5.016 4.410 26 H ALA 4 H ALA 4 -2.959 2.140 4.707 27 HA ALA 4 HA ALA 4 -3.598 -0.828 4.974 28 1HB ALA 4 2HB ALA 4 -4.997 0.855 6.224 29 2HB ALA 4 3HB ALA 4 -5.480 1.609 4.682 30 3HB ALA 4 1HB ALA 4 -5.980 -0.060 5.056 31 H ASP 5 H ASP 5 -2.370 0.665 2.458 32 HA ASP 5 HA ASP 5 -4.183 -0.796 0.481 33 1HB ASP 5 1HB ASP 5 -4.844 1.647 0.557 34 2HB ASP 5 2HB ASP 5 -3.192 2.120 0.146 35 H TYR 6 H TYR 6 -1.349 1.358 -0.004 36 HA TYR 6 HA TYR 6 -0.026 -0.807 -1.594 37 1HB TYR 6 1HB TYR 6 0.115 1.676 -2.154 38 2HB TYR 6 2HB TYR 6 1.116 1.928 -0.724 39 HD1 TYR 6 HD1 TYR 6 3.408 0.874 -0.628 40 HD2 TYR 6 HD2 TYR 6 1.021 0.629 -4.147 41 HE1 TYR 6 HE1 TYR 6 5.379 0.229 -1.925 42 HE2 TYR 6 HE2 TYR 6 3.004 0.006 -5.440 43 HH TYR 6 HH TYR 6 6.176 -0.311 -3.900 44 H GLY 7 H GLY 7 0.614 0.789 1.567 45 1HA GLY 7 1HA GLY 7 3.053 -0.717 2.196 46 2HA GLY 7 2HA GLY 7 2.023 0.069 3.391 47 H GLY 8 H GLY 8 -0.351 -1.653 2.457 48 1HA GLY 8 1HA GLY 8 0.106 -3.954 4.304 49 2HA GLY 8 2HA GLY 8 -1.337 -3.703 3.314 50 H ILE 9 H ILE 9 -0.834 -3.911 0.838 51 HA ILE 9 HA ILE 9 0.073 -6.755 0.680 52 HB ILE 9 HB ILE 9 -2.144 -5.994 -0.204 53 1HG1 ILE 9 1HG1 ILE 9 -2.026 -7.291 -2.405 54 2HG1 ILE 9 2HG1 ILE 9 -0.274 -7.387 -2.223 55 1HG2 ILE 9 1HG2 ILE 9 -1.288 -3.829 -1.324 56 2HG2 ILE 9 2HG2 ILE 9 -0.664 -4.850 -2.643 57 3HG2 ILE 9 3HG2 ILE 9 -2.408 -4.809 -2.299 58 1HD1 ILE 9 2HD1 ILE 9 -2.296 -8.451 -0.122 59 2HD1 ILE 9 3HD1 ILE 9 -1.507 -9.453 -1.366 60 3HD1 ILE 9 1HD1 ILE 9 -0.528 -8.690 -0.091 61 H LYS 10 H LYS 10 0.973 -3.759 -1.108 62 HA LYS 10 HA LYS 10 2.953 -5.294 -2.707 63 1HB LYS 10 1HB LYS 10 2.655 -2.231 -2.470 64 2HB LYS 10 2HB LYS 10 3.591 -3.079 -3.698 65 1HG LYS 10 1HG LYS 10 0.533 -3.218 -3.330 66 2HG LYS 10 2HG LYS 10 1.387 -2.314 -4.572 67 1HD LYS 10 1HD LYS 10 2.282 -4.422 -5.581 68 2HD LYS 10 2HD LYS 10 1.532 -5.387 -4.299 69 1HE LYS 10 1HE LYS 10 -0.751 -4.559 -4.977 70 2HE LYS 10 2HE LYS 10 -0.025 -3.580 -6.265 71 1HZ LYS 10 3HZ LYS 10 0.391 -6.524 -6.090 72 2HZ LYS 10 1HZ LYS 10 -0.866 -5.851 -6.926 73 3HZ LYS 10 2HZ LYS 10 0.691 -5.538 -7.383 No H/Q in entry = 73 No H/Q in entry = 73
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