NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
12848 | 1tos | 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 0.821 -6.048 -2.057 2 2H TRP 1 HT2 TRP 1 0.650 -6.106 -0.385 3 3H TRP 1 HT3 TRP 1 -0.604 -6.628 -1.377 4 HA TRP 1 HA TRP 1 0.418 -3.850 -1.124 5 1HB TRP 1 HB1 TRP 1 -1.693 -5.113 -2.981 6 2HB TRP 1 HB2 TRP 1 -1.759 -3.419 -2.523 7 QB TRP 1 QB TRP 1 -1.726 -4.266 -2.752 8 HD1 TRP 1 HD1 TRP 1 1.653 -5.218 -3.464 9 HE1 TRP 1 HE1 TRP 1 2.758 -3.949 -5.508 11 HE3 TRP 1 HE3 TRP 1 -2.163 -2.010 -4.298 12 HZ2 TRP 1 HZ2 TRP 1 1.962 -1.720 -7.024 13 HZ3 TRP 1 HZ3 TRP 1 -1.948 -0.328 -6.072 14 HH2 TRP 1 HH2 TRP 1 0.115 -0.167 -7.386 15 H ASN 2 HN ASN 2 0.101 -3.654 0.977 16 HA ASN 2 HA ASN 2 -2.600 -4.434 2.178 17 1HB ASN 2 HB1 ASN 2 -0.492 -5.508 3.076 18 2HB ASN 2 HB2 ASN 2 0.134 -3.925 3.517 19 1HD2 ASN 2 HD21 ASN 2 -1.453 -4.157 6.688 20 2HD2 ASN 2 HD22 ASN 2 -0.129 -3.485 5.612 21 HA PRO 3 HA PRO 3 -3.615 0.008 2.342 22 1HB PRO 3 HB1 PRO 3 -4.918 -0.912 4.963 23 2HB PRO 3 HB2 PRO 3 -5.543 0.272 3.796 24 QB PRO 3 QB PRO 3 -5.231 -0.320 4.379 25 1HG PRO 3 HG1 PRO 3 -6.466 -2.254 3.585 26 2HG PRO 3 HG2 PRO 3 -5.839 -1.499 2.096 27 1HD PRO 3 HD1 PRO 3 -4.355 -3.470 3.930 28 2HD PRO 3 HD2 PRO 3 -4.508 -3.467 2.138 29 H ALA 4 HN ALA 4 -2.436 -1.273 5.440 30 HA ALA 4 HA ALA 4 -1.601 1.338 6.502 31 1HB ALA 4 HB1 ALA 4 -0.307 0.042 8.205 32 2HB ALA 4 HB2 ALA 4 -1.932 -0.642 7.978 33 3HB ALA 4 HB3 ALA 4 -0.518 -1.450 7.254 34 H ASP 5 HN ASP 5 0.083 -0.891 4.423 35 HA ASP 5 HA ASP 5 2.790 0.297 4.628 36 1HB ASP 5 HB1 ASP 5 2.159 -2.020 3.716 37 2HB ASP 5 HB2 ASP 5 1.444 -1.254 2.318 38 QB ASP 5 QB ASP 5 1.802 -1.637 3.017 39 H TYR 6 HN TYR 6 -0.031 1.452 2.999 40 HA TYR 6 HA TYR 6 1.098 2.240 0.509 41 1HB TYR 6 HB1 TYR 6 -1.353 3.406 1.943 42 2HB TYR 6 HB2 TYR 6 -0.907 3.822 0.300 43 HD1 TYR 6 HD1 TYR 6 -3.411 3.021 0.380 44 HD2 TYR 6 HD2 TYR 6 -0.070 0.340 0.439 45 HE1 TYR 6 HE1 TYR 6 -4.783 1.270 -0.621 46 HE2 TYR 6 HE2 TYR 6 -1.467 -1.383 -0.563 47 HH TYR 6 HH TYR 6 -4.869 -0.809 -1.335 48 H GLY 7 HN GLY 7 2.088 3.731 -0.357 49 1HA GLY 7 HA1 GLY 7 2.260 6.566 0.483 50 2HA GLY 7 HA2 GLY 7 3.758 5.702 0.914 51 H GLY 8 HN GLY 8 4.811 4.464 -0.800 52 1HA GLY 8 HA1 GLY 8 4.709 5.620 -3.568 53 2HA GLY 8 HA2 GLY 8 5.698 4.253 -3.062 54 H ILE 9 HN ILE 9 4.055 2.428 -2.179 55 HA ILE 9 HA ILE 9 2.380 1.432 -4.487 56 HB ILE 9 HB ILE 9 2.922 0.444 -1.628 57 1HG1 ILE 9 HG12 ILE 9 3.487 -0.854 -4.361 58 2HG1 ILE 9 HG11 ILE 9 4.654 0.166 -3.519 60 1QG ILE 9 QG1 ILE 9 4.071 -0.344 -3.937 59 1HG2 ILE 9 HG21 ILE 9 1.596 -1.612 -2.088 60 2HG2 ILE 9 HG22 ILE 9 0.602 -0.152 -1.998 61 3HG2 ILE 9 HG23 ILE 9 0.980 -0.853 -3.584 62 2QG ILE 9 QG2 ILE 9 1.059 -0.872 -2.557 63 1HD1 ILE 9 HD1 ILE 9 3.536 -2.496 -2.436 64 2HD1 ILE 9 HD2 ILE 9 5.173 -2.205 -3.073 65 3HD1 ILE 9 HD3 ILE 9 4.669 -1.428 -1.552 66 QD ILE 9 QD ILE 9 4.460 -2.043 -2.354 67 H ALA 10 HN ALA 10 0.290 1.878 -4.816 68 HA ALA 10 HA ALA 10 -1.451 2.915 -2.559 69 1HB ALA 10 HB1 ALA 10 -0.911 4.526 -5.144 70 2HB ALA 10 HB2 ALA 10 -2.166 4.922 -3.932 71 3HB ALA 10 HB3 ALA 10 -0.442 5.010 -3.496 72 QB ALA 10 QB ALA 10 -1.173 4.819 -4.192 Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 67 H/Q atoms Start of MODEL 1 1 1H TRP 1 3H TRP 1 -0.604 -6.628 -1.377 2 2H TRP 1 1H TRP 1 0.821 -6.048 -2.057 3 3H TRP 1 2H TRP 1 0.650 -6.106 -0.385 4 HA TRP 1 HA TRP 1 0.418 -3.850 -1.124 5 1HB TRP 1 1HB TRP 1 -1.693 -5.113 -2.981 6 2HB TRP 1 2HB TRP 1 -1.759 -3.419 -2.523 7 HD1 TRP 1 HD1 TRP 1 1.653 -5.218 -3.464 8 HE1 TRP 1 HE1 TRP 1 2.758 -3.949 -5.508 9 HE3 TRP 1 HE3 TRP 1 -2.163 -2.010 -4.298 10 HZ2 TRP 1 HZ2 TRP 1 1.962 -1.720 -7.024 11 HZ3 TRP 1 HZ3 TRP 1 -1.948 -0.328 -6.072 12 HH2 TRP 1 HH2 TRP 1 0.115 -0.167 -7.386 13 H ASN 2 H ASN 2 0.101 -3.654 0.977 14 HA ASN 2 HA ASN 2 -2.600 -4.434 2.178 15 1HB ASN 2 1HB ASN 2 -0.492 -5.508 3.076 16 2HB ASN 2 2HB ASN 2 0.134 -3.925 3.517 17 1HD2 ASN 2 1HD2 ASN 2 -1.453 -4.157 6.688 18 2HD2 ASN 2 2HD2 ASN 2 -0.129 -3.485 5.612 19 HA PRO 3 HA PRO 3 -3.615 0.008 2.342 20 1HB PRO 3 1HB PRO 3 -4.918 -0.912 4.963 21 2HB PRO 3 2HB PRO 3 -5.543 0.272 3.796 22 1HG PRO 3 1HG PRO 3 -6.466 -2.254 3.585 23 2HG PRO 3 2HG PRO 3 -5.839 -1.499 2.096 24 1HD PRO 3 1HD PRO 3 -4.355 -3.470 3.930 25 2HD PRO 3 2HD PRO 3 -4.508 -3.467 2.138 26 H ALA 4 H ALA 4 -2.436 -1.273 5.440 27 HA ALA 4 HA ALA 4 -1.601 1.338 6.502 28 1HB ALA 4 2HB ALA 4 -1.932 -0.642 7.978 29 2HB ALA 4 3HB ALA 4 -0.518 -1.450 7.254 30 3HB ALA 4 1HB ALA 4 -0.307 0.042 8.205 31 H ASP 5 H ASP 5 0.083 -0.891 4.423 32 HA ASP 5 HA ASP 5 2.790 0.297 4.628 33 1HB ASP 5 1HB ASP 5 2.159 -2.020 3.716 34 2HB ASP 5 2HB ASP 5 1.444 -1.254 2.318 35 H TYR 6 H TYR 6 -0.031 1.452 2.999 36 HA TYR 6 HA TYR 6 1.098 2.240 0.509 37 1HB TYR 6 1HB TYR 6 -1.353 3.406 1.943 38 2HB TYR 6 2HB TYR 6 -0.907 3.822 0.300 39 HD1 TYR 6 HD2 TYR 6 -0.070 0.340 0.439 40 HD2 TYR 6 HD1 TYR 6 -3.411 3.021 0.380 41 HE1 TYR 6 HE2 TYR 6 -1.467 -1.383 -0.563 42 HE2 TYR 6 HE1 TYR 6 -4.783 1.270 -0.621 43 HH TYR 6 HH TYR 6 -4.869 -0.809 -1.335 44 H GLY 7 H GLY 7 2.088 3.731 -0.357 45 1HA GLY 7 1HA GLY 7 2.260 6.566 0.483 46 2HA GLY 7 2HA GLY 7 3.758 5.702 0.914 47 H GLY 8 H GLY 8 4.811 4.464 -0.800 48 1HA GLY 8 1HA GLY 8 4.709 5.620 -3.568 49 2HA GLY 8 2HA GLY 8 5.698 4.253 -3.062 50 H ILE 9 H ILE 9 4.055 2.428 -2.179 51 HA ILE 9 HA ILE 9 2.380 1.432 -4.487 52 HB ILE 9 HB ILE 9 2.922 0.444 -1.628 53 1HG1 ILE 9 1HG1 ILE 9 3.487 -0.854 -4.361 54 2HG1 ILE 9 2HG1 ILE 9 4.654 0.166 -3.519 55 1HG2 ILE 9 3HG2 ILE 9 0.980 -0.853 -3.584 56 2HG2 ILE 9 1HG2 ILE 9 1.596 -1.612 -2.088 57 3HG2 ILE 9 2HG2 ILE 9 0.602 -0.152 -1.998 58 1HD1 ILE 9 3HD1 ILE 9 4.669 -1.428 -1.552 59 2HD1 ILE 9 1HD1 ILE 9 3.536 -2.496 -2.436 60 3HD1 ILE 9 2HD1 ILE 9 5.173 -2.205 -3.073 61 H ALA 10 H ALA 10 0.290 1.878 -4.816 62 HA ALA 10 HA ALA 10 -1.451 2.915 -2.559 63 1HB ALA 10 1HB ALA 10 -0.911 4.526 -5.144 64 2HB ALA 10 2HB ALA 10 -2.166 4.922 -3.932 65 3HB ALA 10 3HB ALA 10 -0.442 5.010 -3.496 No H/Q in entry = 65 Start of MODEL 2 Raw file had 67 H/Q atoms Start of MODEL 2 1 1H TRP 1 2H TRP 1 -0.654 -6.828 -1.150 2 2H TRP 1 3H TRP 1 -1.835 -5.912 -1.920 3 3H TRP 1 1H TRP 1 -0.275 -5.970 -2.546 4 HA TRP 1 HA TRP 1 0.605 -4.892 -0.586 5 1HB TRP 1 1HB TRP 1 -1.689 -3.411 -2.016 6 2HB TRP 1 2HB TRP 1 -0.473 -2.635 -1.015 7 HD1 TRP 1 HD1 TRP 1 2.148 -4.261 -2.152 8 HE1 TRP 1 HE1 TRP 1 3.224 -3.384 -4.420 9 HE3 TRP 1 HE3 TRP 1 -1.937 -1.876 -3.808 10 HZ2 TRP 1 HZ2 TRP 1 2.248 -1.703 -6.443 11 HZ3 TRP 1 HZ3 TRP 1 -1.835 -0.592 -5.906 12 HH2 TRP 1 HH2 TRP 1 0.270 -0.478 -7.173 13 H ASN 2 H ASN 2 0.192 -3.665 1.254 14 HA ASN 2 HA ASN 2 -2.174 -4.756 2.869 15 1HB ASN 2 1HB ASN 2 0.159 -5.498 3.486 16 2HB ASN 2 2HB ASN 2 0.625 -3.824 3.761 17 1HD2 ASN 2 1HD2 ASN 2 -0.191 -4.429 7.169 18 2HD2 ASN 2 2HD2 ASN 2 1.030 -3.936 5.891 19 HA PRO 3 HA PRO 3 -3.705 -0.417 2.495 20 1HB PRO 3 1HB PRO 3 -4.970 -1.520 5.089 21 2HB PRO 3 2HB PRO 3 -5.695 -0.346 3.967 22 1HG PRO 3 1HG PRO 3 -6.346 -2.911 3.524 23 2HG PRO 3 2HG PRO 3 -5.640 -2.045 2.133 24 1HD PRO 3 1HD PRO 3 -4.171 -3.930 4.072 25 2HD PRO 3 2HD PRO 3 -4.138 -3.907 2.274 26 H ALA 4 H ALA 4 -2.487 -1.356 5.720 27 HA ALA 4 HA ALA 4 -2.033 1.488 6.506 28 1HB ALA 4 2HB ALA 4 -2.394 -0.286 8.241 29 2HB ALA 4 3HB ALA 4 -0.856 -1.065 7.781 30 3HB ALA 4 1HB ALA 4 -0.855 0.565 8.500 31 H ASP 5 H ASP 5 -0.168 -0.746 4.684 32 HA ASP 5 HA ASP 5 2.440 0.769 5.186 33 1HB ASP 5 1HB ASP 5 2.070 -1.815 5.377 34 2HB ASP 5 2HB ASP 5 1.898 -1.802 3.632 35 H TYR 6 H TYR 6 0.882 2.259 3.778 36 HA TYR 6 HA TYR 6 1.579 1.949 0.790 37 1HB TYR 6 1HB TYR 6 -0.813 3.235 2.235 38 2HB TYR 6 2HB TYR 6 -0.372 3.771 0.634 39 HD1 TYR 6 HD2 TYR 6 -0.052 0.145 1.535 40 HD2 TYR 6 HD1 TYR 6 -2.354 3.145 -0.410 41 HE1 TYR 6 HE2 TYR 6 -1.401 -1.569 0.496 42 HE2 TYR 6 HE1 TYR 6 -3.663 1.414 -1.519 43 HH TYR 6 HH TYR 6 -3.995 -0.742 -1.788 44 H GLY 7 H GLY 7 1.582 3.983 -0.412 45 1HA GLY 7 1HA GLY 7 2.307 6.571 0.478 46 2HA GLY 7 2HA GLY 7 3.845 5.680 0.590 47 H GLY 8 H GLY 8 4.908 5.149 -1.253 48 1HA GLY 8 1HA GLY 8 4.099 6.169 -3.932 49 2HA GLY 8 2HA GLY 8 5.453 5.083 -3.627 50 H ILE 9 H ILE 9 3.911 3.109 -2.265 51 HA ILE 9 HA ILE 9 2.450 1.561 -4.399 52 HB ILE 9 HB ILE 9 2.690 1.290 -1.328 53 1HG1 ILE 9 1HG1 ILE 9 3.639 -0.586 -3.582 54 2HG1 ILE 9 2HG1 ILE 9 4.673 0.697 -2.958 55 1HG2 ILE 9 3HG2 ILE 9 1.120 -0.475 -3.233 56 2HG2 ILE 9 1HG2 ILE 9 1.526 -0.939 -1.556 57 3HG2 ILE 9 2HG2 ILE 9 0.464 0.445 -1.871 58 1HD1 ILE 9 3HD1 ILE 9 3.522 -1.516 -1.137 59 2HD1 ILE 9 1HD1 ILE 9 5.107 -1.548 -1.922 60 3HD1 ILE 9 2HD1 ILE 9 4.740 -0.282 -0.710 61 H ALA 10 H ALA 10 0.421 1.989 -4.991 62 HA ALA 10 HA ALA 10 -1.459 3.429 -3.122 63 1HB ALA 10 1HB ALA 10 -0.372 4.643 -5.787 64 2HB ALA 10 2HB ALA 10 -1.714 5.358 -4.848 65 3HB ALA 10 3HB ALA 10 -0.072 5.290 -4.161 No H/Q in entry = 65 Start of MODEL 3 Raw file had 67 H/Q atoms Start of MODEL 3 1 1H TRP 1 3H TRP 1 0.220 -6.491 -1.185 2 2H TRP 1 1H TRP 1 1.192 -5.472 -2.104 3 3H TRP 1 2H TRP 1 1.275 -5.425 -0.425 4 HA TRP 1 HA TRP 1 0.076 -3.529 -1.229 5 1HB TRP 1 1HB TRP 1 -1.741 -5.663 -2.517 6 2HB TRP 1 2HB TRP 1 -2.244 -4.005 -2.241 7 HD1 TRP 1 HD1 TRP 1 0.815 -5.749 -4.071 8 HE1 TRP 1 HE1 TRP 1 1.399 -4.446 -6.286 9 HE3 TRP 1 HE3 TRP 1 -2.684 -2.122 -3.540 10 HZ2 TRP 1 HZ2 TRP 1 0.336 -2.122 -7.485 11 HZ3 TRP 1 HZ3 TRP 1 -2.886 -0.403 -5.283 12 HH2 TRP 1 HH2 TRP 1 -1.400 -0.400 -7.222 13 H ASN 2 H ASN 2 -0.357 -2.977 0.719 14 HA ASN 2 HA ASN 2 -2.601 -4.331 2.243 15 1HB ASN 2 1HB ASN 2 -0.421 -5.371 2.970 16 2HB ASN 2 2HB ASN 2 0.187 -3.793 3.456 17 1HD2 ASN 2 1HD2 ASN 2 -1.249 -4.272 6.686 18 2HD2 ASN 2 2HD2 ASN 2 0.054 -3.560 5.608 19 HA PRO 3 HA PRO 3 -3.711 0.027 2.401 20 1HB PRO 3 1HB PRO 3 -4.958 -0.799 5.076 21 2HB PRO 3 2HB PRO 3 -5.643 0.284 3.837 22 1HG PRO 3 1HG PRO 3 -6.461 -2.276 3.795 23 2HG PRO 3 2HG PRO 3 -5.859 -1.605 2.254 24 1HD PRO 3 1HD PRO 3 -4.278 -3.340 4.247 25 2HD PRO 3 2HD PRO 3 -4.482 -3.554 2.475 26 H ALA 4 H ALA 4 -2.383 -1.165 5.504 27 HA ALA 4 HA ALA 4 -1.584 1.495 6.468 28 1HB ALA 4 2HB ALA 4 -1.885 -0.462 7.990 29 2HB ALA 4 3HB ALA 4 -0.488 -1.282 7.241 30 3HB ALA 4 1HB ALA 4 -0.254 0.231 8.160 31 H ASP 5 H ASP 5 0.205 -0.981 4.605 32 HA ASP 5 HA ASP 5 2.730 0.573 4.603 33 1HB ASP 5 1HB ASP 5 2.439 -1.971 4.367 34 2HB ASP 5 2HB ASP 5 1.887 -1.711 2.720 35 H TYR 6 H TYR 6 -0.037 1.544 3.133 36 HA TYR 6 HA TYR 6 0.911 2.118 0.414 37 1HB TYR 6 1HB TYR 6 -1.385 3.347 2.039 38 2HB TYR 6 2HB TYR 6 -1.030 3.821 0.392 39 HD1 TYR 6 HD2 TYR 6 -0.336 0.448 0.005 40 HD2 TYR 6 HD1 TYR 6 -3.610 3.044 0.883 41 HE1 TYR 6 HE2 TYR 6 -1.879 -1.163 -0.946 42 HE2 TYR 6 HE1 TYR 6 -5.141 1.416 -0.079 43 HH TYR 6 HH TYR 6 -5.362 -0.549 -1.060 44 H GLY 7 H GLY 7 2.058 3.583 -0.364 45 1HA GLY 7 1HA GLY 7 2.393 6.358 0.653 46 2HA GLY 7 2HA GLY 7 3.811 5.354 1.049 47 H GLY 8 H GLY 8 4.764 4.140 -0.736 48 1HA GLY 8 1HA GLY 8 4.865 5.555 -3.406 49 2HA GLY 8 2HA GLY 8 5.728 4.078 -2.987 50 H ILE 9 H ILE 9 3.922 2.318 -2.220 51 HA ILE 9 HA ILE 9 2.295 1.596 -4.610 52 HB ILE 9 HB ILE 9 2.327 0.446 -1.748 53 1HG1 ILE 9 1HG1 ILE 9 3.677 -0.769 -4.236 54 2HG1 ILE 9 2HG1 ILE 9 4.540 0.271 -3.107 55 1HG2 ILE 9 2HG2 ILE 9 0.213 -0.181 -2.924 56 2HG2 ILE 9 3HG2 ILE 9 1.138 -0.767 -4.328 57 3HG2 ILE 9 1HG2 ILE 9 1.249 -1.607 -2.763 58 1HD1 ILE 9 3HD1 ILE 9 4.056 -1.278 -1.198 59 2HD1 ILE 9 1HD1 ILE 9 3.214 -2.396 -2.300 60 3HD1 ILE 9 2HD1 ILE 9 4.954 -2.081 -2.504 61 H ALA 10 H ALA 10 0.247 2.245 -4.997 62 HA ALA 10 HA ALA 10 -1.487 3.240 -2.683 63 1HB ALA 10 1HB ALA 10 -1.096 4.792 -5.331 64 2HB ALA 10 2HB ALA 10 -2.233 5.212 -4.021 65 3HB ALA 10 3HB ALA 10 -0.480 5.286 -3.733 No H/Q in entry = 65 No H/Q in entry = 65
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