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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 | bmrb_id | cing | stage | position | program | type |
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639065 |
6mk8 ![]() ![]() |
30524 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -11.573 2.832 0.773 2 H2 GLY 1 2HT GLY 1 -10.088 2.436 1.497 3 H3 GLY 1 3HT GLY 1 -11.533 1.787 2.109 4 HA2 GLY 1 2HA GLY 1 -11.796 0.315 0.372 5 HA3 GLY 1 1HA GLY 1 -10.744 1.262 -0.679 6 H LEU 2 H LEU 2 -10.658 -1.610 0.230 7 HA LEU 2 HA LEU 2 -8.424 -1.920 1.975 8 HB2 LEU 2 2HB LEU 2 -8.415 -4.269 0.748 9 HB3 LEU 2 1HB LEU 2 -9.682 -3.857 1.901 10 HG LEU 2 HG LEU 2 -10.122 -3.057 -0.946 11 HD11 LEU 2 1HD1 LEU 2 -11.021 -5.323 -1.461 12 HD12 LEU 2 2HD1 LEU 2 -10.355 -5.909 0.063 13 HD13 LEU 2 3HD1 LEU 2 -9.276 -5.336 -1.209 14 HD21 LEU 2 1HD2 LEU 2 -11.670 -2.714 1.129 15 HD22 LEU 2 2HD2 LEU 2 -12.035 -4.429 0.944 16 HD23 LEU 2 3HD2 LEU 2 -12.395 -3.304 -0.366 17 H SER 3 H SER 3 -8.735 -1.101 -1.332 18 HA SER 3 HA SER 3 -6.229 -2.117 -2.261 19 HB2 SER 3 2HB SER 3 -6.620 -0.532 -4.166 20 HB3 SER 3 1HB SER 3 -7.956 -1.639 -3.866 21 HG SER 3 HG SER 3 -7.722 1.108 -3.284 22 H LEU 4 H LEU 4 -7.253 0.802 -0.647 23 HA LEU 4 HA LEU 4 -5.182 2.545 -1.259 24 HB2 LEU 4 2HB LEU 4 -7.290 2.971 0.130 25 HB3 LEU 4 1HB LEU 4 -6.382 2.327 1.496 26 HG LEU 4 HG LEU 4 -4.538 4.051 0.650 27 HD11 LEU 4 1HD1 LEU 4 -5.410 6.000 -0.399 28 HD12 LEU 4 2HD1 LEU 4 -7.077 5.496 -0.127 29 HD13 LEU 4 3HD1 LEU 4 -6.085 4.655 -1.317 30 HD21 LEU 4 1HD2 LEU 4 -5.468 4.169 2.868 31 HD22 LEU 4 2HD2 LEU 4 -7.028 4.708 2.247 32 HD23 LEU 4 3HD2 LEU 4 -5.628 5.776 2.161 33 H LEU 5 H LEU 5 -5.286 0.061 1.297 34 HA LEU 5 HA LEU 5 -2.848 0.695 2.518 35 HB2 LEU 5 2HB LEU 5 -2.920 -1.482 3.509 36 HB3 LEU 5 1HB LEU 5 -4.572 -0.890 3.402 37 HG LEU 5 HG LEU 5 -4.328 -2.181 0.996 38 HD11 LEU 5 1HD1 LEU 5 -2.713 -3.729 3.044 39 HD12 LEU 5 2HD1 LEU 5 -2.117 -3.085 1.515 40 HD13 LEU 5 3HD1 LEU 5 -3.298 -4.394 1.521 41 HD21 LEU 5 1HD2 LEU 5 -6.170 -2.391 2.648 42 HD22 LEU 5 2HD2 LEU 5 -5.147 -3.436 3.633 43 HD23 LEU 5 3HD2 LEU 5 -5.662 -3.964 2.032 44 H LEU 6 H LEU 6 -3.531 -1.360 -0.274 45 HA LEU 6 HA LEU 6 -0.965 -2.468 -0.584 46 HB2 LEU 6 2HB LEU 6 -3.260 -1.954 -2.452 47 HB3 LEU 6 1HB LEU 6 -1.720 -2.517 -3.099 48 HG LEU 6 HG LEU 6 -2.902 -3.940 -0.731 49 HD11 LEU 6 1HD1 LEU 6 -4.004 -5.482 -2.466 50 HD12 LEU 6 2HD1 LEU 6 -3.825 -4.145 -3.602 51 HD13 LEU 6 3HD1 LEU 6 -4.808 -3.945 -2.151 52 HD21 LEU 6 1HD2 LEU 6 -0.644 -4.527 -1.535 53 HD22 LEU 6 2HD2 LEU 6 -1.287 -4.814 -3.152 54 HD23 LEU 6 3HD2 LEU 6 -1.763 -5.860 -1.814 55 H SER 7 H SER 7 -2.348 0.579 -1.743 56 HA SER 7 HA SER 7 -0.347 1.408 -3.475 57 HB2 SER 7 2HB SER 7 -1.704 3.277 -1.535 58 HB3 SER 7 1HB SER 7 -1.145 3.621 -3.169 59 HG SER 7 HG SER 7 -3.236 3.236 -3.487 60 H LEU 8 H LEU 8 -0.507 1.775 0.055 61 HA LEU 8 HA LEU 8 2.037 3.098 0.226 62 HB2 LEU 8 2HB LEU 8 0.713 1.636 2.502 63 HB3 LEU 8 1HB LEU 8 1.710 3.090 2.553 64 HG LEU 8 HG LEU 8 -1.079 2.864 1.387 65 HD11 LEU 8 1HD1 LEU 8 0.062 4.239 3.835 66 HD12 LEU 8 2HD1 LEU 8 -1.148 2.955 3.796 67 HD13 LEU 8 3HD1 LEU 8 -1.551 4.564 3.200 68 HD21 LEU 8 1HD2 LEU 8 0.108 4.427 0.027 69 HD22 LEU 8 2HD2 LEU 8 0.955 5.105 1.418 70 HD23 LEU 8 3HD2 LEU 8 -0.769 5.407 1.202 71 H GLY 9 H GLY 9 0.897 -0.182 0.242 72 HA2 GLY 9 2HA GLY 9 3.013 -1.522 1.463 73 HA3 GLY 9 1HA GLY 9 1.988 -2.200 0.203 74 H LEU 10 H LEU 10 2.671 -0.423 -1.914 75 HA LEU 10 HA LEU 10 5.160 -1.632 -2.709 76 HB2 LEU 10 2HB LEU 10 4.769 -0.713 -4.850 77 HB3 LEU 10 1HB LEU 10 3.170 -1.113 -4.228 78 HG LEU 10 HG LEU 10 3.456 1.450 -3.297 79 HD11 LEU 10 1HD1 LEU 10 4.524 2.836 -4.883 80 HD12 LEU 10 2HD1 LEU 10 4.580 1.556 -6.095 81 HD13 LEU 10 3HD1 LEU 10 5.644 1.488 -4.690 82 HD21 LEU 10 1HD2 LEU 10 2.416 0.640 -6.032 83 HD22 LEU 10 2HD2 LEU 10 1.953 2.087 -5.135 84 HD23 LEU 10 3HD2 LEU 10 1.518 0.491 -4.521 85 H LYS 11 H LYS 11 4.212 1.392 -1.316 86 HA LYS 11 HA LYS 11 6.480 2.920 -2.103 87 HB2 LYS 11 2HB LYS 11 4.566 4.107 -1.300 88 HB3 LYS 11 1HB LYS 11 4.539 3.185 0.202 89 HG2 LYS 11 2HG LYS 11 7.077 4.625 -0.380 90 HG3 LYS 11 1HG LYS 11 5.686 5.644 -0.022 91 HD2 LYS 11 2HD LYS 11 5.490 4.865 2.151 92 HD3 LYS 11 1HD LYS 11 6.192 3.294 1.769 93 HE2 LYS 11 2HE LYS 11 7.909 5.750 1.558 94 HE3 LYS 11 1HE LYS 11 7.591 5.052 3.146 95 HZ1 LYS 11 1HZ LYS 11 8.265 3.076 1.191 96 HZ2 LYS 11 2HZ LYS 11 8.932 3.349 2.730 97 HZ3 LYS 11 3HZ LYS 11 9.498 4.224 1.389 98 H LEU 12 H LEU 12 5.879 0.557 0.390 99 HA LEU 12 HA LEU 12 8.005 1.167 2.138 100 HB2 LEU 12 2HB LEU 12 6.273 -1.174 1.583 101 HB3 LEU 12 1HB LEU 12 7.808 -1.537 2.359 102 HG LEU 12 HG LEU 12 5.801 -1.050 3.891 103 HD11 LEU 12 1HD1 LEU 12 8.308 -0.971 4.480 104 HD12 LEU 12 2HD1 LEU 12 7.205 -0.114 5.554 105 HD13 LEU 12 3HD1 LEU 12 8.155 0.782 4.369 106 HD21 LEU 12 1HD2 LEU 12 6.423 1.852 3.590 107 HD22 LEU 12 2HD2 LEU 12 4.917 1.065 4.052 108 HD23 LEU 12 3HD2 LEU 12 5.391 1.126 2.358 109 H LEU 13 H LEU 13 7.869 -1.264 -0.472 110 HA LEU 13 HA LEU 13 10.408 -0.684 -1.527 111 HB2 LEU 13 2HB LEU 13 11.588 -2.781 -0.701 112 HB3 LEU 13 1HB LEU 13 11.431 -1.473 0.467 113 HG LEU 13 HG LEU 13 9.075 -3.126 0.630 114 HD11 LEU 13 1HD1 LEU 13 11.713 -4.607 0.822 115 HD12 LEU 13 2HD1 LEU 13 10.407 -4.935 -0.316 116 HD13 LEU 13 3HD1 LEU 13 10.169 -5.227 1.407 117 HD21 LEU 13 1HD2 LEU 13 9.711 -3.276 2.955 118 HD22 LEU 13 2HD2 LEU 13 10.144 -1.660 2.398 119 HD23 LEU 13 3HD2 LEU 13 11.390 -2.893 2.575 120 HN1 NH2 14 2HN NH2 14 7.899 -2.928 -3.311 121 HN2 NH2 14 H NH2 14 7.671 -1.544 -2.354 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -11.549 -0.581 -0.781 2 H2 GLY 1 2HT GLY 1 -12.381 -1.105 0.604 3 H3 GLY 1 3HT GLY 1 -10.964 -1.900 0.110 4 HA2 GLY 1 2HA GLY 1 -10.619 0.927 0.556 5 HA3 GLY 1 1HA GLY 1 -11.065 0.013 1.998 6 H LEU 2 H LEU 2 -9.856 -2.466 0.945 7 HA LEU 2 HA LEU 2 -7.277 -2.205 2.073 8 HB2 LEU 2 2HB LEU 2 -6.903 -4.496 1.197 9 HB3 LEU 2 1HB LEU 2 -8.435 -4.342 2.053 10 HG LEU 2 HG LEU 2 -9.195 -3.698 -0.509 11 HD11 LEU 2 1HD1 LEU 2 -8.186 -5.409 -1.986 12 HD12 LEU 2 2HD1 LEU 2 -7.072 -5.858 -0.695 13 HD13 LEU 2 3HD1 LEU 2 -6.980 -4.255 -1.422 14 HD21 LEU 2 1HD2 LEU 2 -10.337 -5.271 1.000 15 HD22 LEU 2 2HD2 LEU 2 -9.062 -6.461 0.741 16 HD23 LEU 2 3HD2 LEU 2 -10.119 -5.997 -0.591 17 H SER 3 H SER 3 -8.482 -1.842 -1.177 18 HA SER 3 HA SER 3 -6.142 -2.185 -2.663 19 HB2 SER 3 2HB SER 3 -7.202 -0.703 -4.327 20 HB3 SER 3 1HB SER 3 -8.340 -1.892 -3.701 21 HG SER 3 HG SER 3 -8.885 0.521 -3.802 22 H LEU 4 H LEU 4 -7.381 0.706 -1.009 23 HA LEU 4 HA LEU 4 -5.375 2.495 -1.851 24 HB2 LEU 4 2HB LEU 4 -7.584 3.016 -0.650 25 HB3 LEU 4 1HB LEU 4 -6.735 2.610 0.840 26 HG LEU 4 HG LEU 4 -4.910 4.284 -0.130 27 HD11 LEU 4 1HD1 LEU 4 -6.341 4.530 -2.257 28 HD12 LEU 4 2HD1 LEU 4 -5.778 6.021 -1.502 29 HD13 LEU 4 3HD1 LEU 4 -7.442 5.487 -1.264 30 HD21 LEU 4 1HD2 LEU 4 -6.203 6.162 1.024 31 HD22 LEU 4 2HD2 LEU 4 -5.963 4.699 1.980 32 HD23 LEU 4 3HD2 LEU 4 -7.523 5.007 1.218 33 H LEU 5 H LEU 5 -5.558 0.296 0.917 34 HA LEU 5 HA LEU 5 -3.276 1.128 2.296 35 HB2 LEU 5 2HB LEU 5 -5.138 -0.734 2.779 36 HB3 LEU 5 1HB LEU 5 -3.878 -1.794 2.157 37 HG LEU 5 HG LEU 5 -3.627 -1.643 4.561 38 HD11 LEU 5 1HD1 LEU 5 -1.588 -1.477 2.962 39 HD12 LEU 5 2HD1 LEU 5 -1.343 -1.096 4.666 40 HD13 LEU 5 3HD1 LEU 5 -1.502 0.205 3.488 41 HD21 LEU 5 1HD2 LEU 5 -3.801 0.285 5.792 42 HD22 LEU 5 2HD2 LEU 5 -4.725 0.833 4.395 43 HD23 LEU 5 3HD2 LEU 5 -3.026 1.275 4.558 44 H LEU 6 H LEU 6 -3.632 -1.124 -0.410 45 HA LEU 6 HA LEU 6 -1.071 -2.183 -0.523 46 HB2 LEU 6 2HB LEU 6 -2.964 -2.887 -1.963 47 HB3 LEU 6 1HB LEU 6 -2.803 -1.389 -2.876 48 HG LEU 6 HG LEU 6 -0.274 -2.900 -2.572 49 HD11 LEU 6 1HD1 LEU 6 -2.595 -4.026 -4.167 50 HD12 LEU 6 2HD1 LEU 6 -1.760 -4.808 -2.824 51 HD13 LEU 6 3HD1 LEU 6 -0.918 -4.541 -4.349 52 HD21 LEU 6 1HD2 LEU 6 -0.506 -0.915 -4.020 53 HD22 LEU 6 2HD2 LEU 6 -1.766 -1.730 -4.946 54 HD23 LEU 6 3HD2 LEU 6 -0.112 -2.340 -4.980 55 H SER 7 H SER 7 -2.249 0.957 -1.605 56 HA SER 7 HA SER 7 -0.132 1.819 -3.173 57 HB2 SER 7 2HB SER 7 -2.311 3.042 -2.638 58 HB3 SER 7 1HB SER 7 -1.520 3.592 -1.164 59 HG SER 7 HG SER 7 0.010 3.865 -3.422 60 H LEU 8 H LEU 8 -0.469 1.974 0.363 61 HA LEU 8 HA LEU 8 2.100 3.183 0.767 62 HB2 LEU 8 2HB LEU 8 0.619 1.615 2.864 63 HB3 LEU 8 1HB LEU 8 1.632 3.046 3.061 64 HG LEU 8 HG LEU 8 -1.100 2.932 1.750 65 HD11 LEU 8 1HD1 LEU 8 -1.235 2.911 4.171 66 HD12 LEU 8 2HD1 LEU 8 -1.646 4.532 3.613 67 HD13 LEU 8 3HD1 LEU 8 -0.049 4.212 4.290 68 HD21 LEU 8 1HD2 LEU 8 0.949 5.150 1.987 69 HD22 LEU 8 2HD2 LEU 8 -0.757 5.461 1.663 70 HD23 LEU 8 3HD2 LEU 8 0.202 4.524 0.517 71 H GLY 9 H GLY 9 0.883 -0.074 0.518 72 HA2 GLY 9 2HA GLY 9 3.034 -1.453 1.729 73 HA3 GLY 9 1HA GLY 9 1.920 -2.129 0.544 74 H LEU 10 H LEU 10 2.395 -0.594 -1.672 75 HA LEU 10 HA LEU 10 4.760 -1.746 -2.715 76 HB2 LEU 10 2HB LEU 10 3.445 -1.317 -4.512 77 HB3 LEU 10 1HB LEU 10 2.571 -0.045 -3.669 78 HG LEU 10 HG LEU 10 4.427 1.529 -4.117 79 HD11 LEU 10 1HD1 LEU 10 5.884 -0.850 -4.626 80 HD12 LEU 10 2HD1 LEU 10 6.464 0.808 -4.775 81 HD13 LEU 10 3HD1 LEU 10 5.772 -0.011 -6.172 82 HD21 LEU 10 1HD2 LEU 10 4.128 1.592 -6.628 83 HD22 LEU 10 2HD2 LEU 10 2.622 1.492 -5.714 84 HD23 LEU 10 3HD2 LEU 10 3.275 0.053 -6.499 85 H LYS 11 H LYS 11 3.998 1.455 -1.454 86 HA LYS 11 HA LYS 11 6.260 2.877 -2.187 87 HB2 LYS 11 2HB LYS 11 4.311 3.841 -1.007 88 HB3 LYS 11 1HB LYS 11 4.789 2.994 0.460 89 HG2 LYS 11 2HG LYS 11 7.122 4.330 -0.281 90 HG3 LYS 11 1HG LYS 11 5.856 5.477 -0.700 91 HD2 LYS 11 2HD LYS 11 6.191 6.042 1.522 92 HD3 LYS 11 1HD LYS 11 4.926 4.831 1.708 93 HE2 LYS 11 2HE LYS 11 7.912 4.348 1.969 94 HE3 LYS 11 1HE LYS 11 6.750 4.397 3.293 95 HZ1 LYS 11 1HZ LYS 11 6.201 2.556 1.096 96 HZ2 LYS 11 2HZ LYS 11 5.907 2.379 2.758 97 HZ3 LYS 11 3HZ LYS 11 7.472 2.150 2.139 98 H LEU 12 H LEU 12 5.858 0.411 0.269 99 HA LEU 12 HA LEU 12 8.450 0.880 1.474 100 HB2 LEU 12 2HB LEU 12 6.073 -0.610 2.109 101 HB3 LEU 12 1HB LEU 12 7.455 -1.699 2.171 102 HG LEU 12 HG LEU 12 7.493 1.010 3.521 103 HD11 LEU 12 1HD1 LEU 12 6.976 -0.276 5.623 104 HD12 LEU 12 2HD1 LEU 12 6.570 -1.663 4.611 105 HD13 LEU 12 3HD1 LEU 12 5.623 -0.180 4.495 106 HD21 LEU 12 1HD2 LEU 12 9.242 -0.144 4.891 107 HD22 LEU 12 2HD2 LEU 12 9.669 -0.057 3.183 108 HD23 LEU 12 3HD2 LEU 12 9.065 -1.566 3.865 109 H LEU 13 H LEU 13 7.211 -0.877 -1.193 110 HA LEU 13 HA LEU 13 9.728 -2.429 -1.394 111 HB2 LEU 13 2HB LEU 13 7.185 -3.120 -2.850 112 HB3 LEU 13 1HB LEU 13 8.561 -4.158 -2.474 113 HG LEU 13 HG LEU 13 6.701 -2.957 -0.400 114 HD11 LEU 13 1HD1 LEU 13 6.817 -5.709 -1.653 115 HD12 LEU 13 2HD1 LEU 13 5.458 -4.583 -1.662 116 HD13 LEU 13 3HD1 LEU 13 5.952 -5.358 -0.157 117 HD21 LEU 13 1HD2 LEU 13 7.844 -4.743 1.022 118 HD22 LEU 13 2HD2 LEU 13 8.856 -3.374 0.564 119 HD23 LEU 13 3HD2 LEU 13 9.013 -4.909 -0.289 120 HN1 NH2 14 2HN NH2 14 8.384 -0.872 -4.935 121 HN2 NH2 14 H NH2 14 7.297 -1.688 -3.919 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -13.253 0.690 0.296 2 H2 GLY 1 2HT GLY 1 -12.257 0.655 1.673 3 H3 GLY 1 3HT GLY 1 -12.412 -0.728 0.698 4 HA2 GLY 1 2HA GLY 1 -11.367 0.467 -1.155 5 HA3 GLY 1 1HA GLY 1 -11.130 1.838 -0.069 6 H LEU 2 H LEU 2 -10.763 -1.691 0.324 7 HA LEU 2 HA LEU 2 -8.439 -1.430 1.955 8 HB2 LEU 2 2HB LEU 2 -8.282 -3.991 1.267 9 HB3 LEU 2 1HB LEU 2 -9.516 -3.425 2.391 10 HG LEU 2 HG LEU 2 -10.174 -3.320 -0.525 11 HD11 LEU 2 1HD1 LEU 2 -10.989 -5.730 -0.313 12 HD12 LEU 2 2HD1 LEU 2 -9.950 -5.857 1.107 13 HD13 LEU 2 3HD1 LEU 2 -9.245 -5.519 -0.475 14 HD21 LEU 2 1HD2 LEU 2 -11.632 -2.618 1.523 15 HD22 LEU 2 2HD2 LEU 2 -11.862 -4.350 1.757 16 HD23 LEU 2 3HD2 LEU 2 -12.384 -3.586 0.255 17 H SER 3 H SER 3 -8.931 -1.255 -1.396 18 HA SER 3 HA SER 3 -6.454 -2.354 -2.297 19 HB2 SER 3 2HB SER 3 -8.144 -2.189 -3.937 20 HB3 SER 3 1HB SER 3 -8.499 -0.513 -3.525 21 HG SER 3 HG SER 3 -6.611 0.113 -4.467 22 H LEU 4 H LEU 4 -7.475 0.776 -1.112 23 HA LEU 4 HA LEU 4 -5.267 2.294 -2.048 24 HB2 LEU 4 2HB LEU 4 -7.261 2.660 0.180 25 HB3 LEU 4 1HB LEU 4 -5.934 3.799 -0.053 26 HG LEU 4 HG LEU 4 -6.661 4.164 -2.388 27 HD11 LEU 4 1HD1 LEU 4 -7.696 2.126 -3.009 28 HD12 LEU 4 2HD1 LEU 4 -9.032 3.272 -2.907 29 HD13 LEU 4 3HD1 LEU 4 -8.748 2.130 -1.594 30 HD21 LEU 4 1HD2 LEU 4 -8.585 5.509 -1.870 31 HD22 LEU 4 2HD2 LEU 4 -7.574 5.504 -0.425 32 HD23 LEU 4 3HD2 LEU 4 -9.009 4.483 -0.500 33 H LEU 5 H LEU 5 -5.781 0.268 0.773 34 HA LEU 5 HA LEU 5 -3.615 1.107 2.348 35 HB2 LEU 5 2HB LEU 5 -5.114 -1.490 2.096 36 HB3 LEU 5 1HB LEU 5 -3.722 -1.359 3.169 37 HG LEU 5 HG LEU 5 -4.765 0.451 4.400 38 HD11 LEU 5 1HD1 LEU 5 -6.848 0.271 2.217 39 HD12 LEU 5 2HD1 LEU 5 -5.902 1.678 2.703 40 HD13 LEU 5 3HD1 LEU 5 -7.173 1.061 3.760 41 HD21 LEU 5 1HD2 LEU 5 -6.904 -1.641 3.928 42 HD22 LEU 5 2HD2 LEU 5 -6.581 -0.747 5.414 43 HD23 LEU 5 3HD2 LEU 5 -5.438 -1.967 4.851 44 H LEU 6 H LEU 6 -3.804 -1.360 -0.199 45 HA LEU 6 HA LEU 6 -1.250 -2.428 -0.021 46 HB2 LEU 6 2HB LEU 6 -2.584 -1.856 -2.663 47 HB3 LEU 6 1HB LEU 6 -1.551 -3.217 -2.230 48 HG LEU 6 HG LEU 6 -4.361 -2.670 -1.239 49 HD11 LEU 6 1HD1 LEU 6 -4.850 -4.820 -2.309 50 HD12 LEU 6 2HD1 LEU 6 -3.156 -4.997 -2.769 51 HD13 LEU 6 3HD1 LEU 6 -4.136 -3.715 -3.483 52 HD21 LEU 6 1HD2 LEU 6 -3.201 -3.517 0.662 53 HD22 LEU 6 2HD2 LEU 6 -2.253 -4.634 -0.319 54 HD23 LEU 6 3HD2 LEU 6 -3.973 -4.928 -0.063 55 H SER 7 H SER 7 -2.285 0.663 -1.244 56 HA SER 7 HA SER 7 -0.187 1.415 -2.880 57 HB2 SER 7 2HB SER 7 -2.278 2.735 -2.362 58 HB3 SER 7 1HB SER 7 -1.502 3.240 -0.864 59 HG SER 7 HG SER 7 -1.223 4.292 -3.252 60 H LEU 8 H LEU 8 -0.296 1.330 0.653 61 HA LEU 8 HA LEU 8 2.184 2.710 1.013 62 HB2 LEU 8 2HB LEU 8 1.967 2.212 3.318 63 HB3 LEU 8 1HB LEU 8 0.324 2.455 2.733 64 HG LEU 8 HG LEU 8 0.598 -0.228 2.305 65 HD11 LEU 8 1HD1 LEU 8 1.929 0.148 4.980 66 HD12 LEU 8 2HD1 LEU 8 2.907 0.071 3.516 67 HD13 LEU 8 3HD1 LEU 8 1.875 -1.288 3.958 68 HD21 LEU 8 1HD2 LEU 8 -0.747 -0.525 4.321 69 HD22 LEU 8 2HD2 LEU 8 -1.234 0.970 3.524 70 HD23 LEU 8 3HD2 LEU 8 -0.200 1.030 4.950 71 H GLY 9 H GLY 9 1.292 -0.598 0.430 72 HA2 GLY 9 2HA GLY 9 3.592 -1.908 1.375 73 HA3 GLY 9 1HA GLY 9 2.518 -2.512 0.119 74 H LEU 10 H LEU 10 2.835 -0.646 -1.885 75 HA LEU 10 HA LEU 10 5.372 -1.432 -2.952 76 HB2 LEU 10 2HB LEU 10 4.688 -0.418 -4.967 77 HB3 LEU 10 1HB LEU 10 3.200 -1.026 -4.250 78 HG LEU 10 HG LEU 10 3.300 1.476 -3.143 79 HD11 LEU 10 1HD1 LEU 10 4.116 3.083 -4.668 80 HD12 LEU 10 2HD1 LEU 10 4.185 1.922 -5.994 81 HD13 LEU 10 3HD1 LEU 10 5.364 1.837 -4.688 82 HD21 LEU 10 1HD2 LEU 10 2.144 0.771 -5.860 83 HD22 LEU 10 2HD2 LEU 10 1.608 2.090 -4.819 84 HD23 LEU 10 3HD2 LEU 10 1.381 0.417 -4.309 85 H LYS 11 H LYS 11 4.228 1.317 -1.195 86 HA LYS 11 HA LYS 11 6.144 3.218 -2.029 87 HB2 LYS 11 2HB LYS 11 4.423 4.191 -0.813 88 HB3 LYS 11 1HB LYS 11 4.373 2.883 0.361 89 HG2 LYS 11 2HG LYS 11 5.269 4.889 1.421 90 HG3 LYS 11 1HG LYS 11 6.546 3.685 1.303 91 HD2 LYS 11 2HD LYS 11 7.121 4.878 -0.957 92 HD3 LYS 11 1HD LYS 11 6.165 6.205 -0.304 93 HE2 LYS 11 2HE LYS 11 8.384 6.680 0.381 94 HE3 LYS 11 1HE LYS 11 7.621 5.980 1.810 95 HZ1 LYS 11 1HZ LYS 11 9.218 4.431 -0.156 96 HZ2 LYS 11 2HZ LYS 11 8.604 3.875 1.328 97 HZ3 LYS 11 3HZ LYS 11 9.837 5.043 1.300 98 H LEU 12 H LEU 12 6.247 0.537 0.227 99 HA LEU 12 HA LEU 12 8.579 1.248 1.645 100 HB2 LEU 12 2HB LEU 12 7.079 -1.262 1.109 101 HB3 LEU 12 1HB LEU 12 8.753 -1.453 1.614 102 HG LEU 12 HG LEU 12 6.964 -1.395 3.464 103 HD11 LEU 12 1HD1 LEU 12 9.488 -1.022 3.712 104 HD12 LEU 12 2HD1 LEU 12 8.469 -0.370 4.993 105 HD13 LEU 12 3HD1 LEU 12 9.122 0.702 3.757 106 HD21 LEU 12 1HD2 LEU 12 5.873 0.566 3.994 107 HD22 LEU 12 2HD2 LEU 12 6.005 0.792 2.253 108 HD23 LEU 12 3HD2 LEU 12 7.147 1.588 3.333 109 H LEU 13 H LEU 13 8.242 -0.922 -1.171 110 HA LEU 13 HA LEU 13 10.823 0.007 -2.183 111 HB2 LEU 13 2HB LEU 13 10.247 -2.854 -1.399 112 HB3 LEU 13 1HB LEU 13 11.510 -2.423 -2.549 113 HG LEU 13 HG LEU 13 11.320 -1.353 0.284 114 HD11 LEU 13 1HD1 LEU 13 11.844 -3.722 0.331 115 HD12 LEU 13 2HD1 LEU 13 13.319 -2.813 0.660 116 HD13 LEU 13 3HD1 LEU 13 13.056 -3.516 -0.935 117 HD21 LEU 13 1HD2 LEU 13 13.866 -0.915 -0.450 118 HD22 LEU 13 2HD2 LEU 13 12.595 0.258 -0.782 119 HD23 LEU 13 3HD2 LEU 13 13.126 -0.846 -2.050 120 HN1 NH2 14 2HN NH2 14 7.966 -1.924 -4.396 121 HN2 NH2 14 H NH2 14 8.006 -2.153 -2.714 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -11.975 0.605 -0.480 2 H2 GLY 1 2HT GLY 1 -12.638 0.834 1.068 3 H3 GLY 1 3HT GLY 1 -11.642 -0.507 0.756 4 HA2 GLY 1 2HA GLY 1 -10.437 2.068 0.202 5 HA3 GLY 1 1HA GLY 1 -10.780 1.742 1.902 6 H LEU 2 H LEU 2 -10.542 -1.167 1.547 7 HA LEU 2 HA LEU 2 -7.908 -1.576 2.299 8 HB2 LEU 2 2HB LEU 2 -8.293 -3.961 1.754 9 HB3 LEU 2 1HB LEU 2 -9.634 -3.256 2.654 10 HG LEU 2 HG LEU 2 -10.406 -2.740 0.067 11 HD11 LEU 2 1HD1 LEU 2 -9.002 -5.430 0.092 12 HD12 LEU 2 2HD1 LEU 2 -8.542 -4.030 -0.877 13 HD13 LEU 2 3HD1 LEU 2 -10.068 -4.855 -1.188 14 HD21 LEU 2 1HD2 LEU 2 -11.823 -3.700 1.824 15 HD22 LEU 2 2HD2 LEU 2 -10.952 -5.230 1.716 16 HD23 LEU 2 3HD2 LEU 2 -11.938 -4.679 0.362 17 H SER 3 H SER 3 -9.116 -0.833 -0.787 18 HA SER 3 HA SER 3 -7.193 -2.177 -2.404 19 HB2 SER 3 2HB SER 3 -7.899 -0.523 -4.143 20 HB3 SER 3 1HB SER 3 -9.245 -1.379 -3.398 21 HG SER 3 HG SER 3 -9.128 0.556 -1.871 22 H LEU 4 H LEU 4 -7.259 0.915 -0.734 23 HA LEU 4 HA LEU 4 -4.891 1.945 -1.998 24 HB2 LEU 4 2HB LEU 4 -6.539 2.768 0.386 25 HB3 LEU 4 1HB LEU 4 -5.012 3.566 0.010 26 HG LEU 4 HG LEU 4 -5.820 4.175 -2.204 27 HD11 LEU 4 1HD1 LEU 4 -8.319 3.683 -2.660 28 HD12 LEU 4 2HD1 LEU 4 -8.172 2.458 -1.401 29 HD13 LEU 4 3HD1 LEU 4 -7.181 2.351 -2.857 30 HD21 LEU 4 1HD2 LEU 4 -7.518 5.765 -1.563 31 HD22 LEU 4 2HD2 LEU 4 -6.436 5.575 -0.184 32 HD23 LEU 4 3HD2 LEU 4 -8.006 4.772 -0.190 33 H LEU 5 H LEU 5 -5.561 -0.139 0.683 34 HA LEU 5 HA LEU 5 -3.341 0.217 2.310 35 HB2 LEU 5 2HB LEU 5 -5.367 -1.362 2.598 36 HB3 LEU 5 1HB LEU 5 -4.422 -2.519 1.663 37 HG LEU 5 HG LEU 5 -2.515 -1.861 3.398 38 HD11 LEU 5 1HD1 LEU 5 -3.299 -1.225 5.549 39 HD12 LEU 5 2HD1 LEU 5 -4.981 -1.532 5.116 40 HD13 LEU 5 3HD1 LEU 5 -4.133 -0.144 4.435 41 HD21 LEU 5 1HD2 LEU 5 -4.857 -3.708 3.955 42 HD22 LEU 5 2HD2 LEU 5 -3.348 -3.734 4.868 43 HD23 LEU 5 3HD2 LEU 5 -3.346 -4.125 3.148 44 H LEU 6 H LEU 6 -3.596 -1.465 -0.772 45 HA LEU 6 HA LEU 6 -0.997 -2.669 -0.605 46 HB2 LEU 6 2HB LEU 6 -1.344 -3.365 -2.863 47 HB3 LEU 6 1HB LEU 6 -2.902 -3.494 -2.050 48 HG LEU 6 HG LEU 6 -3.015 -0.913 -2.969 49 HD11 LEU 6 1HD1 LEU 6 -2.055 -0.700 -5.108 50 HD12 LEU 6 2HD1 LEU 6 -1.801 -2.437 -5.270 51 HD13 LEU 6 3HD1 LEU 6 -0.784 -1.497 -4.183 52 HD21 LEU 6 1HD2 LEU 6 -4.515 -1.786 -4.698 53 HD22 LEU 6 2HD2 LEU 6 -4.732 -2.709 -3.211 54 HD23 LEU 6 3HD2 LEU 6 -3.797 -3.389 -4.542 55 H SER 7 H SER 7 -2.262 0.395 -1.671 56 HA SER 7 HA SER 7 -0.161 1.252 -3.327 57 HB2 SER 7 2HB SER 7 -2.405 2.366 -3.029 58 HB3 SER 7 1HB SER 7 -1.804 3.015 -1.507 59 HG SER 7 HG SER 7 -1.479 4.448 -3.274 60 H LEU 8 H LEU 8 -0.682 1.936 0.151 61 HA LEU 8 HA LEU 8 1.744 3.313 0.527 62 HB2 LEU 8 2HB LEU 8 1.287 2.180 2.995 63 HB3 LEU 8 1HB LEU 8 0.573 3.687 2.427 64 HG LEU 8 HG LEU 8 -0.778 1.101 1.717 65 HD11 LEU 8 1HD1 LEU 8 -0.503 0.743 4.052 66 HD12 LEU 8 2HD1 LEU 8 -2.116 1.436 3.883 67 HD13 LEU 8 3HD1 LEU 8 -0.775 2.446 4.422 68 HD21 LEU 8 1HD2 LEU 8 -2.774 2.546 1.872 69 HD22 LEU 8 2HD2 LEU 8 -1.574 3.269 0.802 70 HD23 LEU 8 3HD2 LEU 8 -1.771 3.878 2.444 71 H GLY 9 H GLY 9 1.036 -0.081 0.341 72 HA2 GLY 9 2HA GLY 9 3.372 -1.056 1.630 73 HA3 GLY 9 1HA GLY 9 2.348 -1.961 0.521 74 H LEU 10 H LEU 10 2.710 0.047 -1.642 75 HA LEU 10 HA LEU 10 4.891 -1.143 -2.956 76 HB2 LEU 10 2HB LEU 10 3.796 1.594 -3.605 77 HB3 LEU 10 1HB LEU 10 4.539 0.435 -4.706 78 HG LEU 10 HG LEU 10 1.882 0.143 -3.286 79 HD11 LEU 10 1HD1 LEU 10 0.993 0.092 -5.584 80 HD12 LEU 10 2HD1 LEU 10 2.624 0.296 -6.222 81 HD13 LEU 10 3HD1 LEU 10 1.875 1.590 -5.288 82 HD21 LEU 10 1HD2 LEU 10 1.813 -1.986 -4.767 83 HD22 LEU 10 2HD2 LEU 10 2.777 -2.048 -3.293 84 HD23 LEU 10 3HD2 LEU 10 3.566 -1.812 -4.853 85 H LYS 11 H LYS 11 4.656 2.167 -1.634 86 HA LYS 11 HA LYS 11 7.260 2.968 -2.116 87 HB2 LYS 11 2HB LYS 11 6.989 4.516 -0.206 88 HB3 LYS 11 1HB LYS 11 5.577 4.512 -1.260 89 HG2 LYS 11 2HG LYS 11 4.221 3.695 0.369 90 HG3 LYS 11 1HG LYS 11 5.408 2.497 0.872 91 HD2 LYS 11 2HD LYS 11 5.800 5.408 1.548 92 HD3 LYS 11 1HD LYS 11 4.772 4.382 2.548 93 HE2 LYS 11 2HE LYS 11 7.700 3.921 1.906 94 HE3 LYS 11 1HE LYS 11 7.022 4.365 3.472 95 HZ1 LYS 11 1HZ LYS 11 7.342 2.058 3.548 96 HZ2 LYS 11 2HZ LYS 11 6.695 1.820 1.995 97 HZ3 LYS 11 3HZ LYS 11 5.678 2.255 3.285 98 H LEU 12 H LEU 12 6.047 0.715 0.246 99 HA LEU 12 HA LEU 12 8.187 0.751 2.073 100 HB2 LEU 12 2HB LEU 12 5.817 -0.651 1.821 101 HB3 LEU 12 1HB LEU 12 7.032 -1.909 1.603 102 HG LEU 12 HG LEU 12 7.034 0.070 3.898 103 HD11 LEU 12 1HD1 LEU 12 6.144 -2.829 3.849 104 HD12 LEU 12 2HD1 LEU 12 5.064 -1.441 3.969 105 HD13 LEU 12 3HD1 LEU 12 6.204 -1.787 5.270 106 HD21 LEU 12 1HD2 LEU 12 8.708 -1.431 4.850 107 HD22 LEU 12 2HD2 LEU 12 9.232 -0.942 3.240 108 HD23 LEU 12 3HD2 LEU 12 8.531 -2.540 3.490 109 H LEU 13 H LEU 13 7.670 -1.303 -0.802 110 HA LEU 13 HA LEU 13 10.568 -1.929 -0.752 111 HB2 LEU 13 2HB LEU 13 8.644 -3.676 -2.231 112 HB3 LEU 13 1HB LEU 13 10.156 -4.094 -1.428 113 HG LEU 13 HG LEU 13 8.751 -3.318 0.736 114 HD11 LEU 13 1HD1 LEU 13 6.433 -3.876 0.577 115 HD12 LEU 13 2HD1 LEU 13 6.642 -4.584 -1.025 116 HD13 LEU 13 3HD1 LEU 13 6.771 -2.840 -0.810 117 HD21 LEU 13 1HD2 LEU 13 8.188 -5.724 1.064 118 HD22 LEU 13 2HD2 LEU 13 9.833 -5.499 0.472 119 HD23 LEU 13 3HD2 LEU 13 8.562 -6.019 -0.634 120 HN1 NH2 14 2HN NH2 14 8.773 -1.019 -4.339 121 HN2 NH2 14 H NH2 14 7.838 -1.738 -3.119 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -12.214 -0.760 1.596 2 H2 GLY 1 2HT GLY 1 -12.134 0.756 0.832 3 H3 GLY 1 3HT GLY 1 -10.875 0.247 1.854 4 HA2 GLY 1 2HA GLY 1 -11.379 -1.614 -0.264 5 HA3 GLY 1 1HA GLY 1 -10.923 -0.013 -0.851 6 H LEU 2 H LEU 2 -9.703 -2.928 0.083 7 HA LEU 2 HA LEU 2 -7.443 -2.252 1.639 8 HB2 LEU 2 2HB LEU 2 -6.583 -4.427 1.029 9 HB3 LEU 2 1HB LEU 2 -8.318 -4.567 1.304 10 HG LEU 2 HG LEU 2 -8.235 -3.947 -1.381 11 HD11 LEU 2 1HD1 LEU 2 -6.483 -5.128 -2.452 12 HD12 LEU 2 2HD1 LEU 2 -6.028 -5.968 -0.970 13 HD13 LEU 2 3HD1 LEU 2 -5.679 -4.250 -1.151 14 HD21 LEU 2 1HD2 LEU 2 -8.167 -6.674 -0.050 15 HD22 LEU 2 2HD2 LEU 2 -8.666 -6.389 -1.718 16 HD23 LEU 2 3HD2 LEU 2 -9.603 -5.707 -0.388 17 H SER 3 H SER 3 -8.193 -1.683 -1.647 18 HA SER 3 HA SER 3 -5.639 -1.734 -2.829 19 HB2 SER 3 2HB SER 3 -8.030 0.011 -3.460 20 HB3 SER 3 1HB SER 3 -6.613 -0.166 -4.493 21 HG SER 3 HG SER 3 -8.227 -2.320 -3.590 22 H LEU 4 H LEU 4 -7.325 0.754 -0.975 23 HA LEU 4 HA LEU 4 -5.519 2.872 -1.440 24 HB2 LEU 4 2HB LEU 4 -7.892 2.732 -0.215 25 HB3 LEU 4 1HB LEU 4 -6.868 2.641 1.216 26 HG LEU 4 HG LEU 4 -6.805 4.811 -0.903 27 HD11 LEU 4 1HD1 LEU 4 -7.437 6.228 1.106 28 HD12 LEU 4 2HD1 LEU 4 -7.724 4.723 1.981 29 HD13 LEU 4 3HD1 LEU 4 -8.689 5.113 0.557 30 HD21 LEU 4 1HD2 LEU 4 -5.225 5.843 0.903 31 HD22 LEU 4 2HD2 LEU 4 -4.567 4.632 -0.194 32 HD23 LEU 4 3HD2 LEU 4 -5.024 4.179 1.448 33 H LEU 5 H LEU 5 -5.643 0.380 1.089 34 HA LEU 5 HA LEU 5 -3.367 1.328 2.517 35 HB2 LEU 5 2HB LEU 5 -4.873 -1.281 2.467 36 HB3 LEU 5 1HB LEU 5 -3.405 -1.096 3.423 37 HG LEU 5 HG LEU 5 -5.536 -0.627 4.694 38 HD11 LEU 5 1HD1 LEU 5 -4.528 1.011 5.974 39 HD12 LEU 5 2HD1 LEU 5 -4.038 1.962 4.575 40 HD13 LEU 5 3HD1 LEU 5 -3.140 0.509 5.012 41 HD21 LEU 5 1HD2 LEU 5 -6.591 0.503 2.641 42 HD22 LEU 5 2HD2 LEU 5 -5.637 1.922 3.072 43 HD23 LEU 5 3HD2 LEU 5 -6.843 1.297 4.196 44 H LEU 6 H LEU 6 -3.823 -1.168 0.033 45 HA LEU 6 HA LEU 6 -1.279 -2.272 -0.003 46 HB2 LEU 6 2HB LEU 6 -3.525 -2.637 -1.477 47 HB3 LEU 6 1HB LEU 6 -2.524 -1.793 -2.656 48 HG LEU 6 HG LEU 6 -1.726 -4.286 -1.120 49 HD11 LEU 6 1HD1 LEU 6 -3.440 -4.612 -2.918 50 HD12 LEU 6 2HD1 LEU 6 -1.909 -5.418 -3.265 51 HD13 LEU 6 3HD1 LEU 6 -2.309 -3.902 -4.071 52 HD21 LEU 6 1HD2 LEU 6 -0.284 -2.466 -3.046 53 HD22 LEU 6 2HD2 LEU 6 0.150 -4.172 -2.939 54 HD23 LEU 6 3HD2 LEU 6 0.290 -3.138 -1.519 55 H SER 7 H SER 7 -2.373 0.825 -1.182 56 HA SER 7 HA SER 7 -0.355 1.496 -2.972 57 HB2 SER 7 2HB SER 7 -0.954 3.771 -2.602 58 HB3 SER 7 1HB SER 7 -2.432 2.838 -2.382 59 HG SER 7 HG SER 7 -1.774 4.484 -0.717 60 H LEU 8 H LEU 8 -0.378 1.814 0.574 61 HA LEU 8 HA LEU 8 2.228 2.992 0.678 62 HB2 LEU 8 2HB LEU 8 2.004 2.957 3.008 63 HB3 LEU 8 1HB LEU 8 0.343 3.101 2.447 64 HG LEU 8 HG LEU 8 0.590 0.384 2.519 65 HD11 LEU 8 1HD1 LEU 8 1.912 -0.357 4.318 66 HD12 LEU 8 2HD1 LEU 8 2.057 1.263 5.000 67 HD13 LEU 8 3HD1 LEU 8 2.946 0.840 3.539 68 HD21 LEU 8 1HD2 LEU 8 -0.533 0.551 4.767 69 HD22 LEU 8 2HD2 LEU 8 -1.240 1.598 3.538 70 HD23 LEU 8 3HD2 LEU 8 -0.167 2.276 4.762 71 H GLY 9 H GLY 9 0.991 -0.251 0.604 72 HA2 GLY 9 2HA GLY 9 3.180 -1.656 1.666 73 HA3 GLY 9 1HA GLY 9 2.018 -2.302 0.512 74 H LEU 10 H LEU 10 2.433 -0.827 -1.738 75 HA LEU 10 HA LEU 10 4.910 -1.918 -2.690 76 HB2 LEU 10 2HB LEU 10 4.237 -1.188 -4.843 77 HB3 LEU 10 1HB LEU 10 2.751 -1.663 -4.024 78 HG LEU 10 HG LEU 10 2.919 0.976 -3.299 79 HD11 LEU 10 1HD1 LEU 10 3.709 2.320 -5.063 80 HD12 LEU 10 2HD1 LEU 10 3.700 0.983 -6.211 81 HD13 LEU 10 3HD1 LEU 10 4.932 1.055 -4.953 82 HD21 LEU 10 1HD2 LEU 10 1.648 -0.178 -5.802 83 HD22 LEU 10 2HD2 LEU 10 1.205 1.358 -5.057 84 HD23 LEU 10 3HD2 LEU 10 0.929 -0.154 -4.192 85 H LYS 11 H LYS 11 3.972 1.054 -1.291 86 HA LYS 11 HA LYS 11 5.942 2.739 -2.484 87 HB2 LYS 11 2HB LYS 11 3.950 3.650 -1.379 88 HB3 LYS 11 1HB LYS 11 4.489 2.984 0.160 89 HG2 LYS 11 2HG LYS 11 6.508 4.655 -1.216 90 HG3 LYS 11 1HG LYS 11 5.063 5.530 -0.713 91 HD2 LYS 11 2HD LYS 11 6.728 3.764 1.109 92 HD3 LYS 11 1HD LYS 11 6.833 5.521 1.044 93 HE2 LYS 11 2HE LYS 11 5.253 5.468 2.682 94 HE3 LYS 11 1HE LYS 11 4.123 5.133 1.370 95 HZ1 LYS 11 1HZ LYS 11 3.812 3.083 2.119 96 HZ2 LYS 11 2HZ LYS 11 4.688 3.509 3.512 97 HZ3 LYS 11 3HZ LYS 11 5.478 2.774 2.200 98 H LEU 12 H LEU 12 5.935 0.469 0.173 99 HA LEU 12 HA LEU 12 8.426 1.444 1.285 100 HB2 LEU 12 2HB LEU 12 6.483 -0.718 1.931 101 HB3 LEU 12 1HB LEU 12 8.137 -0.920 2.505 102 HG LEU 12 HG LEU 12 6.756 1.717 2.922 103 HD11 LEU 12 1HD1 LEU 12 5.154 0.017 3.722 104 HD12 LEU 12 2HD1 LEU 12 5.868 0.897 5.072 105 HD13 LEU 12 3HD1 LEU 12 6.427 -0.730 4.686 106 HD21 LEU 12 1HD2 LEU 12 8.295 1.925 4.722 107 HD22 LEU 12 2HD2 LEU 12 9.232 1.180 3.427 108 HD23 LEU 12 3HD2 LEU 12 8.620 0.192 4.752 109 H LEU 13 H LEU 13 7.464 -1.632 -0.308 110 HA LEU 13 HA LEU 13 10.293 -1.924 -1.144 111 HB2 LEU 13 2HB LEU 13 9.616 -4.418 -1.387 112 HB3 LEU 13 1HB LEU 13 9.949 -3.785 0.219 113 HG LEU 13 HG LEU 13 7.862 -5.213 0.021 114 HD11 LEU 13 1HD1 LEU 13 8.359 -2.974 1.566 115 HD12 LEU 13 2HD1 LEU 13 7.041 -4.115 1.812 116 HD13 LEU 13 3HD1 LEU 13 6.766 -2.640 0.895 117 HD21 LEU 13 1HD2 LEU 13 5.903 -4.307 -1.032 118 HD22 LEU 13 2HD2 LEU 13 7.204 -4.221 -2.217 119 HD23 LEU 13 3HD2 LEU 13 6.705 -2.769 -1.347 120 HN1 NH2 14 2HN NH2 14 7.644 -1.513 -4.003 121 HN2 NH2 14 H NH2 14 7.523 -0.869 -2.438
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