NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26696 | 2nx7 | 15104 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ALA 1 HA ALA 1 7.795 -12.351 -1.319 2 H1 ALA 1 1H ALA 1 7.458 -13.957 -3.181 3 H2 ALA 1 2H ALA 1 8.937 -14.036 -2.316 4 H3 ALA 1 3H ALA 1 8.885 -13.298 -3.864 5 HB1 ALA 1 3HB ALA 1 10.183 -11.896 -2.325 6 HB2 ALA 1 1HB ALA 1 9.270 -10.614 -1.528 7 HB3 ALA 1 2HB ALA 1 9.304 -10.708 -3.288 8 H GLN 2 H GLN 2 5.592 -12.372 -1.820 9 HA GLN 2 HA GLN 2 4.734 -10.827 -4.154 10 HB2 GLN 2 1HB GLN 2 3.499 -12.914 -2.457 11 HB3 GLN 2 2HB GLN 2 2.415 -11.691 -3.094 12 HG2 GLN 2 1HG GLN 2 4.056 -12.508 -5.229 13 HG3 GLN 2 2HG GLN 2 3.531 -13.971 -4.397 14 HE21 GLN 2 1HE2 GLN 2 2.616 -11.340 -6.393 15 HE22 GLN 2 2HE2 GLN 2 0.970 -11.806 -6.640 16 H ASN 3 H ASN 3 3.080 -9.219 -3.934 17 HA ASN 3 HA ASN 3 3.217 -7.811 -1.364 18 HB2 ASN 3 1HB ASN 3 4.204 -6.341 -2.814 19 HB3 ASN 3 2HB ASN 3 3.279 -6.907 -4.192 20 HD21 ASN 3 1HD2 ASN 3 2.762 -4.925 -4.859 21 HD22 ASN 3 2HD2 ASN 3 1.650 -3.884 -4.038 22 HA PRO 4 HA PRO 4 -1.205 -9.089 -1.759 23 HB2 PRO 4 1HB PRO 4 -1.812 -8.929 0.886 24 HB3 PRO 4 2HB PRO 4 -1.078 -10.353 0.142 25 HG2 PRO 4 1HG PRO 4 0.226 -8.131 1.672 26 HG3 PRO 4 2HG PRO 4 0.505 -9.880 1.782 27 HD2 PRO 4 1HD PRO 4 2.149 -8.255 0.439 28 HD3 PRO 4 2HD PRO 4 1.829 -9.915 -0.107 29 H CYS 5 H CYS 5 0.249 -6.276 -0.452 30 HA CYS 5 HA CYS 5 -2.015 -4.839 0.273 31 HB2 CYS 5 1HB CYS 5 0.566 -3.701 -0.821 32 HB3 CYS 5 2HB CYS 5 -0.605 -2.901 0.215 33 H SER 6 H SER 6 -0.513 -5.415 -2.830 34 HA SER 6 HA SER 6 -1.904 -3.487 -4.339 35 HG SER 6 HG SER 6 0.655 -4.645 -6.307 36 HB2 SER 6 1HB SER 6 -0.614 -6.112 -5.015 37 HB3 SER 6 2HB SER 6 -1.534 -5.226 -6.229 38 H LEU 7 H LEU 7 -2.720 -6.686 -3.231 39 HA LEU 7 HA LEU 7 -5.055 -7.097 -4.784 40 HG LEU 7 HG LEU 7 -6.369 -9.014 -4.155 41 HB2 LEU 7 1HB LEU 7 -3.572 -8.681 -3.218 42 HB3 LEU 7 2HB LEU 7 -4.835 -8.297 -2.084 43 HD11 LEU 7 1HD1 LEU 7 -5.273 -11.089 -5.121 44 HD12 LEU 7 2HD1 LEU 7 -3.745 -10.419 -4.550 45 HD13 LEU 7 3HD1 LEU 7 -4.707 -9.535 -5.734 46 HD21 LEU 7 3HD2 LEU 7 -6.553 -11.212 -3.117 47 HD22 LEU 7 1HD2 LEU 7 -6.454 -9.943 -1.896 48 HD23 LEU 7 2HD2 LEU 7 -5.041 -10.938 -2.249 49 H GLN 8 H GLN 8 -4.421 -5.735 -1.654 50 HA GLN 8 HA GLN 8 -7.230 -5.302 -1.076 51 HB2 GLN 8 1HB GLN 8 -6.511 -4.391 1.017 52 HB3 GLN 8 2HB GLN 8 -5.580 -5.844 0.705 53 HG2 GLN 8 1HG GLN 8 -3.642 -4.741 0.617 54 HG3 GLN 8 2HG GLN 8 -4.338 -3.350 -0.204 55 HE21 GLN 8 1HE2 GLN 8 -2.927 -4.355 2.574 56 HE22 GLN 8 2HE2 GLN 8 -3.520 -3.149 3.659 57 H GLN 9 H GLN 9 -4.513 -3.544 -2.261 58 HA GLN 9 HA GLN 9 -6.233 -1.283 -2.951 59 HB2 GLN 9 1HB GLN 9 -3.642 -1.102 -1.419 60 HB3 GLN 9 2HB GLN 9 -4.341 0.267 -2.272 61 HG2 GLN 9 1HG GLN 9 -6.463 -0.321 -0.860 62 HG3 GLN 9 2HG GLN 9 -5.293 -1.120 0.188 63 HE21 GLN 9 1HE2 GLN 9 -3.589 0.197 1.129 64 HE22 GLN 9 2HE2 GLN 9 -3.840 1.889 1.353 65 HA PRO 10 HA PRO 10 -4.006 -2.675 -6.717 66 HB2 PRO 10 1HB PRO 10 -5.688 -0.392 -7.668 67 HB3 PRO 10 2HB PRO 10 -5.395 -1.963 -8.424 68 HG2 PRO 10 1HG PRO 10 -7.678 -1.500 -7.156 69 HG3 PRO 10 2HG PRO 10 -6.865 -3.069 -7.003 70 HD2 PRO 10 1HD PRO 10 -7.039 -0.822 -5.055 71 HD3 PRO 10 2HD PRO 10 -6.985 -2.573 -4.759 72 H GLY 11 H GLY 11 -2.398 -1.749 -7.973 73 HA2 GLY 11 1HA GLY 11 -0.802 -0.192 -8.627 74 HA3 GLY 11 2HA GLY 11 -1.741 1.039 -7.818 75 H CYS 12 H CYS 12 -1.567 -0.602 -5.240 76 HA CYS 12 HA CYS 12 0.493 0.745 -4.031 77 HB2 CYS 12 1HB CYS 12 -1.281 -0.474 -2.863 78 HB3 CYS 12 2HB CYS 12 -0.502 -1.975 -3.305 79 H SER 13 H SER 13 2.481 0.711 -4.309 80 HA SER 13 HA SER 13 4.053 -1.142 -5.675 81 HG SER 13 HG SER 13 6.809 0.467 -3.922 82 HB2 SER 13 1HB SER 13 4.841 1.101 -5.465 83 HB3 SER 13 2HB SER 13 4.791 1.021 -3.708 84 H SER 14 H SER 14 5.112 -2.955 -5.046 85 HA SER 14 HA SER 14 4.439 -4.268 -2.647 86 HG SER 14 HG SER 14 5.334 -4.871 -5.762 87 HB2 SER 14 1HB SER 14 6.932 -4.730 -4.276 88 HB3 SER 14 2HB SER 14 6.097 -5.894 -3.250 89 H ALA 15 H ALA 15 7.022 -2.146 -3.548 90 HA ALA 15 HA ALA 15 8.742 -2.522 -1.367 91 HB1 ALA 15 3HB ALA 15 9.900 -1.393 -2.934 92 HB2 ALA 15 1HB ALA 15 9.268 0.028 -2.102 93 HB3 ALA 15 2HB ALA 15 8.466 -0.576 -3.553 94 H CYS 16 H CYS 16 5.680 -1.124 -1.528 95 HA CYS 16 HA CYS 16 6.105 0.792 0.602 96 HB2 CYS 16 1HB CYS 16 3.609 -0.238 -0.763 97 HB3 CYS 16 2HB CYS 16 3.549 0.853 0.612 98 H ALA 17 H ALA 17 5.436 -2.555 0.246 99 HA ALA 17 HA ALA 17 4.157 -2.949 2.777 100 HB1 ALA 17 3HB ALA 17 5.454 -5.340 1.990 101 HB2 ALA 17 1HB ALA 17 4.850 -4.558 0.530 102 HB3 ALA 17 2HB ALA 17 3.742 -4.932 1.851 103 HA PRO 18 HA PRO 18 4.216 -4.961 4.144 104 HB2 PRO 18 1HB PRO 18 4.243 -5.112 6.810 105 HB3 PRO 18 2HB PRO 18 5.256 -6.157 5.807 106 HG2 PRO 18 1HG PRO 18 5.988 -3.659 7.293 107 HG3 PRO 18 2HG PRO 18 6.870 -5.194 7.186 108 HD2 PRO 18 1HD PRO 18 7.496 -3.009 5.682 109 HD3 PRO 18 2HD PRO 18 7.780 -4.675 5.150 110 H ALA 19 H ALA 19 5.021 -1.775 5.011 111 HA ALA 19 HA ALA 19 2.843 -1.090 6.661 112 HB1 ALA 19 3HB ALA 19 3.588 1.221 5.281 113 HB2 ALA 19 1HB ALA 19 5.063 0.264 5.427 114 HB3 ALA 19 2HB ALA 19 4.145 0.696 6.869 115 H CYS 20 H CYS 20 3.446 -0.392 3.266 116 HA CYS 20 HA CYS 20 2.161 0.078 1.547 117 HB2 CYS 20 1HB CYS 20 0.164 -1.753 2.847 118 HB3 CYS 20 2HB CYS 20 0.351 -1.391 1.145 119 H ARG 21 H ARG 21 2.026 2.102 3.308 120 HA ARG 21 HA ARG 21 -0.576 2.784 4.198 121 HE ARG 21 HE ARG 21 4.034 5.429 4.386 122 HB2 ARG 21 1HB ARG 21 1.706 4.657 3.559 123 HB3 ARG 21 2HB ARG 21 0.307 5.019 4.556 124 HG2 ARG 21 1HG ARG 21 1.550 4.432 6.295 125 HG3 ARG 21 2HG ARG 21 1.376 2.767 5.739 126 HD2 ARG 21 1HD ARG 21 3.685 3.068 5.998 127 HD3 ARG 21 2HD ARG 21 3.406 3.224 4.265 128 HH11 ARG 21 1HH1 ARG 21 3.548 4.194 7.615 129 HH12 ARG 21 2HH1 ARG 21 4.237 5.584 8.384 130 HH21 ARG 21 1HH2 ARG 21 4.940 7.256 5.397 131 HH22 ARG 21 2HH2 ARG 21 5.027 7.322 7.125 132 H LEU 22 H LEU 22 -2.027 4.274 3.393 133 HA LEU 22 HA LEU 22 -2.838 4.052 0.814 134 HG LEU 22 HG LEU 22 -3.878 6.547 0.020 135 HB2 LEU 22 1HB LEU 22 -4.266 5.009 2.525 136 HB3 LEU 22 2HB LEU 22 -3.235 6.425 2.628 137 HD11 LEU 22 1HD1 LEU 22 -6.304 6.047 -0.166 138 HD12 LEU 22 2HD1 LEU 22 -6.208 5.210 1.383 139 HD13 LEU 22 3HD1 LEU 22 -5.293 4.612 -0.001 140 HD21 LEU 22 3HD2 LEU 22 -5.562 7.573 2.302 141 HD22 LEU 22 1HD2 LEU 22 -5.564 8.200 0.653 142 HD23 LEU 22 2HD2 LEU 22 -4.117 8.344 1.650 143 H SER 23 H SER 23 -1.056 6.786 2.130 144 HA SER 23 HA SER 23 -0.685 8.195 -0.239 145 HG SER 23 HG SER 23 1.886 8.558 2.888 146 HB2 SER 23 1HB SER 23 1.193 9.307 0.907 147 HB3 SER 23 2HB SER 23 -0.214 9.156 1.960 148 H CYS 24 H CYS 24 0.972 5.365 0.917 149 HA CYS 24 HA CYS 24 3.072 5.670 -1.068 150 HB2 CYS 24 1HB CYS 24 3.577 4.882 1.304 151 HB3 CYS 24 2HB CYS 24 2.724 3.396 0.902 152 H CYS 25 H CYS 25 0.393 3.419 -0.351 153 HA CYS 25 HA CYS 25 0.999 1.620 -2.377 154 HB2 CYS 25 1HB CYS 25 -1.543 2.331 -0.983 155 HB3 CYS 25 2HB CYS 25 -1.545 1.172 -2.299 156 H SER 26 H SER 26 -1.542 4.081 -2.552 157 HA SER 26 HA SER 26 -1.628 3.875 -5.395 158 HG SER 26 HG SER 26 -3.617 6.017 -2.743 159 HB2 SER 26 1HB SER 26 -3.396 5.479 -5.313 160 HB3 SER 26 2HB SER 26 -3.609 4.332 -3.990 161 H LEU 27 H LEU 27 -0.711 6.442 -3.197 162 HA LEU 27 HA LEU 27 0.542 7.923 -5.372 163 HG LEU 27 HG LEU 27 1.830 10.036 -4.111 164 HB2 LEU 27 1HB LEU 27 -0.948 9.005 -3.654 165 HB3 LEU 27 2HB LEU 27 0.306 8.700 -2.467 166 HD11 LEU 27 1HD1 LEU 27 0.884 11.340 -5.702 167 HD12 LEU 27 2HD1 LEU 27 -0.631 11.515 -4.817 168 HD13 LEU 27 3HD1 LEU 27 -0.300 10.033 -5.714 169 HD21 LEU 27 3HD2 LEU 27 -0.306 11.385 -2.465 170 HD22 LEU 27 1HD2 LEU 27 1.208 12.118 -2.993 171 HD23 LEU 27 2HD2 LEU 27 1.231 10.764 -1.863 172 H GLY 28 H GLY 28 1.852 5.522 -4.776 173 HA2 GLY 28 1HA GLY 28 4.487 6.527 -4.234 174 HA3 GLY 28 2HA GLY 28 3.879 5.507 -2.937 Start of MODEL 2 1 HA ALA 1 HA ALA 1 7.256 -12.460 0.024 2 H1 ALA 1 1H ALA 1 8.285 -14.373 -0.502 3 H2 ALA 1 2H ALA 1 8.655 -13.878 -2.103 4 H3 ALA 1 3H ALA 1 7.047 -14.309 -1.685 5 HB1 ALA 1 3HB ALA 1 8.930 -10.963 -0.163 6 HB2 ALA 1 1HB ALA 1 9.018 -11.119 -1.917 7 HB3 ALA 1 2HB ALA 1 9.786 -12.325 -0.885 8 H GLN 2 H GLN 2 5.134 -12.455 -0.744 9 HA GLN 2 HA GLN 2 4.675 -11.247 -3.377 10 HB2 GLN 2 1HB GLN 2 2.616 -12.482 -1.548 11 HB3 GLN 2 2HB GLN 2 2.441 -12.102 -3.255 12 HG2 GLN 2 1HG GLN 2 2.950 -14.224 -3.641 13 HG3 GLN 2 2HG GLN 2 4.606 -13.800 -3.207 14 HE21 GLN 2 1HE2 GLN 2 1.546 -14.578 -1.580 15 HE22 GLN 2 2HE2 GLN 2 2.242 -15.642 -0.409 16 H ASN 3 H ASN 3 3.178 -9.508 -3.619 17 HA ASN 3 HA ASN 3 3.163 -7.708 -1.321 18 HB2 ASN 3 1HB ASN 3 4.148 -6.785 -3.293 19 HB3 ASN 3 2HB ASN 3 2.785 -7.291 -4.278 20 HD21 ASN 3 1HD2 ASN 3 2.297 -5.374 -5.027 21 HD22 ASN 3 2HD2 ASN 3 1.669 -4.068 -4.080 22 HA PRO 4 HA PRO 4 -1.258 -9.206 -1.509 23 HB2 PRO 4 1HB PRO 4 -1.769 -8.901 1.156 24 HB3 PRO 4 2HB PRO 4 -1.095 -10.376 0.450 25 HG2 PRO 4 1HG PRO 4 0.316 -8.115 1.820 26 HG3 PRO 4 2HG PRO 4 0.565 -9.863 1.998 27 HD2 PRO 4 1HD PRO 4 2.191 -8.351 0.517 28 HD3 PRO 4 2HD PRO 4 1.789 -10.013 0.042 29 H CYS 5 H CYS 5 0.260 -6.349 -0.380 30 HA CYS 5 HA CYS 5 -1.981 -4.862 0.337 31 HB2 CYS 5 1HB CYS 5 0.596 -3.809 -0.854 32 HB3 CYS 5 2HB CYS 5 -0.548 -2.942 0.159 33 H SER 6 H SER 6 -0.561 -5.609 -2.756 34 HA SER 6 HA SER 6 -1.906 -3.722 -4.347 35 HG SER 6 HG SER 6 -0.684 -5.084 -7.132 36 HB2 SER 6 1HB SER 6 -0.015 -5.202 -5.095 37 HB3 SER 6 2HB SER 6 -1.172 -6.530 -5.167 38 H LEU 7 H LEU 7 -2.789 -6.839 -3.081 39 HA LEU 7 HA LEU 7 -5.202 -7.224 -4.522 40 HG LEU 7 HG LEU 7 -6.305 -9.115 -4.114 41 HB2 LEU 7 1HB LEU 7 -3.692 -8.784 -2.931 42 HB3 LEU 7 2HB LEU 7 -4.928 -8.332 -1.793 43 HD11 LEU 7 1HD1 LEU 7 -3.905 -10.811 -3.556 44 HD12 LEU 7 2HD1 LEU 7 -4.567 -10.283 -5.103 45 HD13 LEU 7 3HD1 LEU 7 -5.391 -11.533 -4.171 46 HD21 LEU 7 3HD2 LEU 7 -6.740 -11.177 -2.556 47 HD22 LEU 7 1HD2 LEU 7 -7.350 -9.580 -2.124 48 HD23 LEU 7 2HD2 LEU 7 -5.880 -10.197 -1.369 49 H GLN 8 H GLN 8 -4.318 -5.666 -1.567 50 HA GLN 8 HA GLN 8 -7.053 -5.157 -0.763 51 HB2 GLN 8 1HB GLN 8 -6.185 -4.375 1.233 52 HB3 GLN 8 2HB GLN 8 -4.965 -5.533 0.743 53 HG2 GLN 8 1HG GLN 8 -3.400 -3.935 0.350 54 HG3 GLN 8 2HG GLN 8 -4.583 -2.706 -0.062 55 HE21 GLN 8 1HE2 GLN 8 -4.474 -4.749 2.804 56 HE22 GLN 8 2HE2 GLN 8 -4.278 -3.460 3.936 57 H GLN 9 H GLN 9 -4.449 -3.503 -2.348 58 HA GLN 9 HA GLN 9 -6.257 -1.342 -3.072 59 HB2 GLN 9 1HB GLN 9 -3.597 -0.975 -1.707 60 HB3 GLN 9 2HB GLN 9 -4.350 0.302 -2.652 61 HG2 GLN 9 1HG GLN 9 -6.389 -0.070 -1.128 62 HG3 GLN 9 2HG GLN 9 -5.258 -0.909 -0.071 63 HE21 GLN 9 1HE2 GLN 9 -3.459 0.316 0.809 64 HE22 GLN 9 2HE2 GLN 9 -3.585 2.031 0.960 65 HA PRO 10 HA PRO 10 -4.217 -2.304 -6.923 66 HB2 PRO 10 1HB PRO 10 -5.275 -0.335 -8.455 67 HB3 PRO 10 2HB PRO 10 -6.185 -1.770 -7.970 68 HG2 PRO 10 1HG PRO 10 -6.234 0.987 -6.816 69 HG3 PRO 10 2HG PRO 10 -7.581 -0.124 -7.126 70 HD2 PRO 10 1HD PRO 10 -6.486 0.243 -4.665 71 HD3 PRO 10 2HD PRO 10 -7.237 -1.284 -5.173 72 H GLY 11 H GLY 11 -2.475 -1.659 -8.092 73 HA2 GLY 11 1HA GLY 11 -0.691 -0.350 -8.799 74 HA3 GLY 11 2HA GLY 11 -1.512 1.037 -8.125 75 H CYS 12 H CYS 12 -1.504 -0.609 -5.441 76 HA CYS 12 HA CYS 12 0.556 0.727 -4.214 77 HB2 CYS 12 1HB CYS 12 -1.245 -0.437 -3.044 78 HB3 CYS 12 2HB CYS 12 -0.511 -1.964 -3.473 79 H SER 13 H SER 13 2.546 0.658 -4.458 80 HA SER 13 HA SER 13 4.111 -1.241 -5.770 81 HG SER 13 HG SER 13 6.905 0.471 -4.135 82 HB2 SER 13 1HB SER 13 4.925 0.994 -5.596 83 HB3 SER 13 2HB SER 13 4.851 0.954 -3.841 84 H SER 14 H SER 14 5.125 -3.055 -5.101 85 HA SER 14 HA SER 14 4.435 -4.314 -2.666 86 HG SER 14 HG SER 14 7.277 -6.397 -3.149 87 HB2 SER 14 1HB SER 14 5.258 -5.593 -4.604 88 HB3 SER 14 2HB SER 14 6.830 -4.806 -4.435 89 H ALA 15 H ALA 15 7.036 -2.251 -3.637 90 HA ALA 15 HA ALA 15 8.768 -2.584 -1.460 91 HB1 ALA 15 3HB ALA 15 9.912 -1.504 -3.077 92 HB2 ALA 15 1HB ALA 15 9.315 -0.063 -2.254 93 HB3 ALA 15 2HB ALA 15 8.479 -0.672 -3.682 94 H CYS 16 H CYS 16 5.711 -1.184 -1.647 95 HA CYS 16 HA CYS 16 6.151 0.784 0.439 96 HB2 CYS 16 1HB CYS 16 3.647 -0.267 -0.893 97 HB3 CYS 16 2HB CYS 16 3.592 0.844 0.465 98 H ALA 17 H ALA 17 5.474 -2.564 0.167 99 HA ALA 17 HA ALA 17 4.213 -2.911 2.712 100 HB1 ALA 17 3HB ALA 17 4.878 -4.556 0.487 101 HB2 ALA 17 1HB ALA 17 3.800 -4.916 1.835 102 HB3 ALA 17 2HB ALA 17 5.516 -5.311 1.947 103 HA PRO 18 HA PRO 18 4.294 -4.913 4.106 104 HB2 PRO 18 1HB PRO 18 4.336 -5.011 6.776 105 HB3 PRO 18 2HB PRO 18 5.343 -6.074 5.787 106 HG2 PRO 18 1HG PRO 18 6.084 -3.551 7.221 107 HG3 PRO 18 2HG PRO 18 6.967 -5.086 7.131 108 HD2 PRO 18 1HD PRO 18 7.578 -2.924 5.588 109 HD3 PRO 18 2HD PRO 18 7.860 -4.599 5.081 110 H ALA 19 H ALA 19 5.091 -1.709 4.917 111 HA ALA 19 HA ALA 19 2.910 -1.004 6.555 112 HB1 ALA 19 3HB ALA 19 5.071 0.382 5.169 113 HB2 ALA 19 1HB ALA 19 4.333 0.708 6.737 114 HB3 ALA 19 2HB ALA 19 3.579 1.317 5.265 115 H CYS 20 H CYS 20 3.511 -0.355 3.152 116 HA CYS 20 HA CYS 20 2.227 0.091 1.426 117 HB2 CYS 20 1HB CYS 20 0.226 -1.722 2.743 118 HB3 CYS 20 2HB CYS 20 0.416 -1.378 1.038 119 H ARG 21 H ARG 21 2.100 2.130 3.164 120 HA ARG 21 HA ARG 21 -0.502 2.829 4.047 121 HE ARG 21 HE ARG 21 4.022 3.548 7.316 122 HB2 ARG 21 1HB ARG 21 1.877 4.593 3.447 123 HB3 ARG 21 2HB ARG 21 0.413 5.129 4.252 124 HG2 ARG 21 1HG ARG 21 1.160 4.425 6.211 125 HG3 ARG 21 2HG ARG 21 1.461 2.808 5.574 126 HD2 ARG 21 1HD ARG 21 3.659 3.272 5.067 127 HD3 ARG 21 2HD ARG 21 3.370 5.003 4.919 128 HH11 ARG 21 1HH1 ARG 21 2.591 6.456 6.020 129 HH12 ARG 21 2HH1 ARG 21 2.854 7.377 7.462 130 HH21 ARG 21 1HH2 ARG 21 4.368 4.758 9.213 131 HH22 ARG 21 2HH2 ARG 21 3.863 6.415 9.274 132 H LEU 22 H LEU 22 -1.946 4.321 3.230 133 HA LEU 22 HA LEU 22 -2.771 4.080 0.664 134 HG LEU 22 HG LEU 22 -4.428 4.045 2.809 135 HB2 LEU 22 1HB LEU 22 -3.153 6.255 2.674 136 HB3 LEU 22 2HB LEU 22 -3.827 6.423 1.065 137 HD11 LEU 22 1HD1 LEU 22 -5.379 5.585 4.172 138 HD12 LEU 22 2HD1 LEU 22 -6.678 5.459 2.985 139 HD13 LEU 22 3HD1 LEU 22 -5.526 6.792 2.894 140 HD21 LEU 22 3HD2 LEU 22 -4.821 4.205 0.226 141 HD22 LEU 22 1HD2 LEU 22 -6.209 5.182 0.705 142 HD23 LEU 22 2HD2 LEU 22 -6.059 3.521 1.278 143 H SER 23 H SER 23 -0.970 6.816 1.945 144 HA SER 23 HA SER 23 -0.602 8.201 -0.437 145 HG SER 23 HG SER 23 0.223 9.509 2.933 146 HB2 SER 23 1HB SER 23 1.571 8.205 1.617 147 HB3 SER 23 2HB SER 23 0.870 9.555 0.724 148 H CYS 24 H CYS 24 1.041 5.370 0.729 149 HA CYS 24 HA CYS 24 3.137 5.652 -1.260 150 HB2 CYS 24 1HB CYS 24 3.647 4.872 1.113 151 HB3 CYS 24 2HB CYS 24 2.782 3.391 0.722 152 H CYS 25 H CYS 25 0.449 3.417 -0.524 153 HA CYS 25 HA CYS 25 1.038 1.608 -2.549 154 HB2 CYS 25 1HB CYS 25 -1.491 2.337 -1.139 155 HB3 CYS 25 2HB CYS 25 -1.512 1.179 -2.455 156 H SER 26 H SER 26 -1.493 4.080 -2.721 157 HA SER 26 HA SER 26 -1.595 3.849 -5.561 158 HG SER 26 HG SER 26 -3.292 5.900 -6.314 159 HB2 SER 26 1HB SER 26 -3.668 4.316 -4.751 160 HB3 SER 26 2HB SER 26 -3.063 5.430 -3.524 161 H LEU 27 H LEU 27 -0.124 6.051 -3.332 162 HA LEU 27 HA LEU 27 0.986 7.558 -5.609 163 HG LEU 27 HG LEU 27 1.634 9.762 -5.315 164 HB2 LEU 27 1HB LEU 27 -0.597 8.650 -3.818 165 HB3 LEU 27 2HB LEU 27 0.864 8.701 -2.854 166 HD11 LEU 27 1HD1 LEU 27 -0.405 10.222 -6.239 167 HD12 LEU 27 2HD1 LEU 27 -0.144 11.698 -5.309 168 HD13 LEU 27 3HD1 LEU 27 -1.193 10.429 -4.675 169 HD21 LEU 27 3HD2 LEU 27 0.742 11.477 -3.030 170 HD22 LEU 27 1HD2 LEU 27 2.144 11.658 -4.085 171 HD23 LEU 27 2HD2 LEU 27 2.124 10.396 -2.853 172 H GLY 28 H GLY 28 2.297 5.259 -4.901 173 HA2 GLY 28 1HA GLY 28 4.877 6.296 -4.193 174 HA3 GLY 28 2HA GLY 28 4.195 5.285 -2.927 Start of MODEL 3 1 HA ALA 1 HA ALA 1 8.646 -10.035 -2.188 2 H1 ALA 1 1H ALA 1 9.049 -12.760 -3.148 3 H2 ALA 1 2H ALA 1 8.180 -12.461 -1.699 4 H3 ALA 1 3H ALA 1 9.803 -11.926 -1.855 5 HB1 ALA 1 3HB ALA 1 9.493 -11.403 -4.665 6 HB2 ALA 1 1HB ALA 1 10.023 -9.870 -3.974 7 HB3 ALA 1 2HB ALA 1 8.503 -9.957 -4.865 8 H GLN 2 H GLN 2 6.567 -10.467 -1.219 9 HA GLN 2 HA GLN 2 4.433 -11.107 -3.132 10 HB2 GLN 2 1HB GLN 2 4.383 -11.010 -0.113 11 HB3 GLN 2 2HB GLN 2 3.006 -11.405 -1.130 12 HG2 GLN 2 1HG GLN 2 4.748 -13.204 -2.057 13 HG3 GLN 2 2HG GLN 2 5.368 -13.024 -0.416 14 HE21 GLN 2 1HE2 GLN 2 2.663 -14.010 -2.372 15 HE22 GLN 2 2HE2 GLN 2 1.827 -14.880 -1.135 16 H ASN 3 H ASN 3 2.691 -9.746 -3.444 17 HA ASN 3 HA ASN 3 2.921 -7.053 -2.311 18 HB2 ASN 3 1HB ASN 3 3.667 -7.238 -4.708 19 HB3 ASN 3 2HB ASN 3 2.020 -7.698 -5.123 20 HD21 ASN 3 1HD2 ASN 3 2.855 -5.382 -2.672 21 HD22 ASN 3 2HD2 ASN 3 2.238 -3.989 -3.486 22 HA PRO 4 HA PRO 4 -1.365 -9.042 -1.769 23 HB2 PRO 4 1HB PRO 4 -1.479 -8.712 0.944 24 HB3 PRO 4 2HB PRO 4 -0.910 -10.188 0.157 25 HG2 PRO 4 1HG PRO 4 0.675 -7.912 1.288 26 HG3 PRO 4 2HG PRO 4 0.967 -9.657 1.423 27 HD2 PRO 4 1HD PRO 4 2.346 -8.136 -0.302 28 HD3 PRO 4 2HD PRO 4 1.868 -9.799 -0.705 29 H CYS 5 H CYS 5 0.203 -6.247 -0.440 30 HA CYS 5 HA CYS 5 -2.021 -4.776 0.324 31 HB2 CYS 5 1HB CYS 5 0.598 -3.699 -0.746 32 HB3 CYS 5 2HB CYS 5 -0.552 -2.868 0.289 33 H SER 6 H SER 6 -0.601 -5.349 -2.792 34 HA SER 6 HA SER 6 -1.845 -3.282 -4.253 35 HG SER 6 HG SER 6 -2.021 -5.927 -6.700 36 HB2 SER 6 1HB SER 6 -0.164 -4.381 -5.441 37 HB3 SER 6 2HB SER 6 -0.769 -5.982 -5.017 38 H LEU 7 H LEU 7 -2.858 -6.465 -3.286 39 HA LEU 7 HA LEU 7 -5.302 -6.593 -4.729 40 HG LEU 7 HG LEU 7 -6.630 -8.437 -4.299 41 HB2 LEU 7 1HB LEU 7 -3.863 -8.375 -3.315 42 HB3 LEU 7 2HB LEU 7 -5.050 -7.961 -2.113 43 HD11 LEU 7 1HD1 LEU 7 -4.289 -9.325 -5.229 44 HD12 LEU 7 2HD1 LEU 7 -5.831 -10.067 -5.649 45 HD13 LEU 7 3HD1 LEU 7 -4.827 -10.778 -4.386 46 HD21 LEU 7 3HD2 LEU 7 -7.007 -10.684 -3.199 47 HD22 LEU 7 1HD2 LEU 7 -7.190 -9.270 -2.160 48 HD23 LEU 7 2HD2 LEU 7 -5.723 -10.244 -2.072 49 H GLN 8 H GLN 8 -4.274 -5.339 -1.698 50 HA GLN 8 HA GLN 8 -6.940 -4.759 -0.730 51 HB2 GLN 8 1HB GLN 8 -4.395 -3.659 0.444 52 HB3 GLN 8 2HB GLN 8 -5.913 -4.011 1.256 53 HG2 GLN 8 1HG GLN 8 -5.217 -6.479 0.374 54 HG3 GLN 8 2HG GLN 8 -3.631 -5.760 0.667 55 HE21 GLN 8 1HE2 GLN 8 -4.041 -4.198 2.817 56 HE22 GLN 8 2HE2 GLN 8 -4.517 -5.146 4.180 57 H GLN 9 H GLN 9 -4.317 -3.118 -2.330 58 HA GLN 9 HA GLN 9 -6.027 -0.816 -2.832 59 HB2 GLN 9 1HB GLN 9 -3.265 -0.638 -1.622 60 HB3 GLN 9 2HB GLN 9 -4.105 0.726 -2.344 61 HG2 GLN 9 1HG GLN 9 -5.470 0.999 -0.585 62 HG3 GLN 9 2HG GLN 9 -5.616 -0.730 -0.285 63 HE21 GLN 9 1HE2 GLN 9 -3.842 -1.787 0.857 64 HE22 GLN 9 2HE2 GLN 9 -2.881 -0.871 1.959 65 HA PRO 10 HA PRO 10 -4.359 -2.256 -6.835 66 HB2 PRO 10 1HB PRO 10 -5.715 0.327 -7.512 67 HB3 PRO 10 2HB PRO 10 -5.728 -1.210 -8.385 68 HG2 PRO 10 1HG PRO 10 -7.802 -0.513 -6.887 69 HG3 PRO 10 2HG PRO 10 -7.227 -2.191 -6.904 70 HD2 PRO 10 1HD PRO 10 -6.930 -0.105 -4.807 71 HD3 PRO 10 2HD PRO 10 -7.065 -1.868 -4.638 72 H GLY 11 H GLY 11 -2.570 -1.756 -7.947 73 HA2 GLY 11 1HA GLY 11 -0.732 -0.564 -8.720 74 HA3 GLY 11 2HA GLY 11 -1.489 0.888 -8.109 75 H CYS 12 H CYS 12 -1.494 -0.754 -5.366 76 HA CYS 12 HA CYS 12 0.568 0.608 -4.169 77 HB2 CYS 12 1HB CYS 12 -1.204 -0.568 -2.971 78 HB3 CYS 12 2HB CYS 12 -0.461 -2.089 -3.404 79 H SER 13 H SER 13 2.556 0.560 -4.435 80 HA SER 13 HA SER 13 4.135 -1.329 -5.749 81 HG SER 13 HG SER 13 6.517 -0.819 -5.382 82 HB2 SER 13 1HB SER 13 4.920 0.921 -5.594 83 HB3 SER 13 2HB SER 13 4.866 0.885 -3.837 84 H SER 14 H SER 14 5.216 -3.120 -5.060 85 HA SER 14 HA SER 14 4.530 -4.367 -2.623 86 HG SER 14 HG SER 14 5.576 -5.237 -5.751 87 HB2 SER 14 1HB SER 14 7.030 -4.864 -4.235 88 HB3 SER 14 2HB SER 14 6.217 -5.994 -3.154 89 H ALA 15 H ALA 15 7.100 -2.254 -3.579 90 HA ALA 15 HA ALA 15 8.816 -2.548 -1.386 91 HB1 ALA 15 3HB ALA 15 9.915 -1.486 -3.066 92 HB2 ALA 15 1HB ALA 15 9.402 -0.066 -2.157 93 HB3 ALA 15 2HB ALA 15 8.490 -0.583 -3.575 94 H CYS 16 H CYS 16 5.744 -1.188 -1.589 95 HA CYS 16 HA CYS 16 6.143 0.792 0.486 96 HB2 CYS 16 1HB CYS 16 3.664 -0.307 -0.855 97 HB3 CYS 16 2HB CYS 16 3.586 0.822 0.489 98 H ALA 17 H ALA 17 5.501 -2.566 0.215 99 HA ALA 17 HA ALA 17 4.235 -2.913 2.758 100 HB1 ALA 17 3HB ALA 17 5.538 -5.312 2.035 101 HB2 ALA 17 1HB ALA 17 4.955 -4.569 0.546 102 HB3 ALA 17 2HB ALA 17 3.831 -4.910 1.860 103 HA PRO 18 HA PRO 18 4.316 -4.880 4.178 104 HB2 PRO 18 1HB PRO 18 4.375 -4.986 6.843 105 HB3 PRO 18 2HB PRO 18 5.387 -6.039 5.850 106 HG2 PRO 18 1HG PRO 18 6.113 -3.511 7.283 107 HG3 PRO 18 2HG PRO 18 7.006 -5.040 7.196 108 HD2 PRO 18 1HD PRO 18 7.600 -2.878 5.646 109 HD3 PRO 18 2HD PRO 18 7.895 -4.552 5.145 110 H ALA 19 H ALA 19 5.122 -1.676 4.971 111 HA ALA 19 HA ALA 19 2.967 -0.958 6.639 112 HB1 ALA 19 3HB ALA 19 4.433 0.732 6.775 113 HB2 ALA 19 1HB ALA 19 3.590 1.362 5.360 114 HB3 ALA 19 2HB ALA 19 5.078 0.436 5.162 115 H CYS 20 H CYS 20 3.519 -0.380 3.217 116 HA CYS 20 HA CYS 20 2.209 0.023 1.493 117 HB2 CYS 20 1HB CYS 20 0.210 -1.715 2.910 118 HB3 CYS 20 2HB CYS 20 0.384 -1.443 1.191 119 H ARG 21 H ARG 21 2.110 2.115 3.208 120 HA ARG 21 HA ARG 21 -0.491 2.833 4.081 121 HE ARG 21 HE ARG 21 2.412 4.925 8.269 122 HB2 ARG 21 1HB ARG 21 1.917 4.556 3.478 123 HB3 ARG 21 2HB ARG 21 0.432 5.158 4.194 124 HG2 ARG 21 1HG ARG 21 1.108 3.001 5.789 125 HG3 ARG 21 2HG ARG 21 2.653 3.772 5.426 126 HD2 ARG 21 1HD ARG 21 1.005 5.907 5.977 127 HD3 ARG 21 2HD ARG 21 0.455 4.677 7.115 128 HH11 ARG 21 1HH1 ARG 21 2.796 6.335 5.100 129 HH12 ARG 21 2HH1 ARG 21 4.347 7.019 5.455 130 HH21 ARG 21 1HH2 ARG 21 4.452 5.824 8.737 131 HH22 ARG 21 2HH2 ARG 21 5.287 6.729 7.519 132 H LEU 22 H LEU 22 -1.957 4.273 3.237 133 HA LEU 22 HA LEU 22 -2.765 3.984 0.665 134 HG LEU 22 HG LEU 22 -3.805 6.539 -0.148 135 HB2 LEU 22 1HB LEU 22 -4.205 4.965 2.351 136 HB3 LEU 22 2HB LEU 22 -3.184 6.391 2.428 137 HD11 LEU 22 1HD1 LEU 22 -5.763 4.656 1.014 138 HD12 LEU 22 2HD1 LEU 22 -5.181 4.813 -0.643 139 HD13 LEU 22 3HD1 LEU 22 -6.403 5.926 -0.028 140 HD21 LEU 22 3HD2 LEU 22 -5.996 7.386 1.664 141 HD22 LEU 22 1HD2 LEU 22 -5.130 8.297 0.427 142 HD23 LEU 22 2HD2 LEU 22 -4.375 8.001 1.993 143 H SER 23 H SER 23 -1.000 6.758 1.917 144 HA SER 23 HA SER 23 -0.652 8.121 -0.482 145 HG SER 23 HG SER 23 -0.736 9.989 0.994 146 HB2 SER 23 1HB SER 23 1.064 8.039 2.001 147 HB3 SER 23 2HB SER 23 1.363 9.145 0.661 148 H CYS 24 H CYS 24 1.025 5.321 0.730 149 HA CYS 24 HA CYS 24 3.105 5.595 -1.282 150 HB2 CYS 24 1HB CYS 24 3.634 4.850 1.098 151 HB3 CYS 24 2HB CYS 24 2.782 3.356 0.729 152 H CYS 25 H CYS 25 0.459 3.321 -0.495 153 HA CYS 25 HA CYS 25 1.054 1.513 -2.519 154 HB2 CYS 25 1HB CYS 25 -1.468 2.199 -1.078 155 HB3 CYS 25 2HB CYS 25 -1.483 1.032 -2.385 156 H SER 26 H SER 26 -1.519 3.946 -2.665 157 HA SER 26 HA SER 26 -1.677 3.684 -5.497 158 HG SER 26 HG SER 26 -4.112 6.536 -4.851 159 HB2 SER 26 1HB SER 26 -3.745 4.198 -4.845 160 HB3 SER 26 2HB SER 26 -3.195 5.075 -3.419 161 H LEU 27 H LEU 27 -1.062 6.552 -3.562 162 HA LEU 27 HA LEU 27 -0.036 8.053 -5.710 163 HG LEU 27 HG LEU 27 0.408 10.924 -3.404 164 HB2 LEU 27 1HB LEU 27 -1.004 9.158 -3.817 165 HB3 LEU 27 2HB LEU 27 0.157 8.440 -2.724 166 HD11 LEU 27 1HD1 LEU 27 2.692 10.853 -2.944 167 HD12 LEU 27 2HD1 LEU 27 2.892 9.272 -3.697 168 HD13 LEU 27 3HD1 LEU 27 2.039 9.415 -2.162 169 HD21 LEU 27 3HD2 LEU 27 0.994 11.480 -5.477 170 HD22 LEU 27 1HD2 LEU 27 0.504 9.854 -5.947 171 HD23 LEU 27 2HD2 LEU 27 2.193 10.193 -5.573 172 H GLY 28 H GLY 28 1.450 5.676 -3.713 173 HA2 GLY 28 1HA GLY 28 4.122 6.630 -4.513 174 HA3 GLY 28 2HA GLY 28 3.801 5.526 -3.184 Start of MODEL 4 1 HA ALA 1 HA ALA 1 7.894 -12.334 -0.371 2 H1 ALA 1 1H ALA 1 6.009 -13.873 0.199 3 H2 ALA 1 2H ALA 1 7.585 -14.257 0.763 4 H3 ALA 1 3H ALA 1 6.930 -15.084 -0.591 5 HB1 ALA 1 3HB ALA 1 9.323 -12.924 -2.135 6 HB2 ALA 1 1HB ALA 1 8.374 -14.354 -2.541 7 HB3 ALA 1 2HB ALA 1 9.332 -14.322 -1.062 8 H GLN 2 H GLN 2 5.394 -11.927 -0.435 9 HA GLN 2 HA GLN 2 4.769 -11.281 -3.214 10 HB2 GLN 2 1HB GLN 2 2.981 -12.853 -1.365 11 HB3 GLN 2 2HB GLN 2 2.364 -11.994 -2.769 12 HG2 GLN 2 1HG GLN 2 3.244 -13.471 -4.239 13 HG3 GLN 2 2HG GLN 2 4.635 -13.832 -3.216 14 HE21 GLN 2 1HE2 GLN 2 4.423 -16.038 -3.426 15 HE22 GLN 2 2HE2 GLN 2 3.137 -16.929 -2.693 16 H ASN 3 H ASN 3 3.306 -9.540 -3.470 17 HA ASN 3 HA ASN 3 3.204 -7.779 -1.139 18 HB2 ASN 3 1HB ASN 3 4.267 -6.716 -2.941 19 HB3 ASN 3 2HB ASN 3 3.098 -7.322 -4.103 20 HD21 ASN 3 1HD2 ASN 3 2.631 -5.403 -4.919 21 HD22 ASN 3 2HD2 ASN 3 1.749 -4.172 -4.079 22 HA PRO 4 HA PRO 4 -1.209 -9.220 -1.538 23 HB2 PRO 4 1HB PRO 4 -1.845 -8.944 1.094 24 HB3 PRO 4 2HB PRO 4 -1.111 -10.404 0.419 25 HG2 PRO 4 1HG PRO 4 0.197 -8.116 1.852 26 HG3 PRO 4 2HG PRO 4 0.453 -9.860 2.062 27 HD2 PRO 4 1HD PRO 4 2.138 -8.348 0.655 28 HD3 PRO 4 2HD PRO 4 1.776 -10.017 0.172 29 H CYS 5 H CYS 5 0.262 -6.369 -0.361 30 HA CYS 5 HA CYS 5 -1.995 -4.868 0.303 31 HB2 CYS 5 1HB CYS 5 0.614 -3.832 -0.821 32 HB3 CYS 5 2HB CYS 5 -0.540 -2.969 0.182 33 H SER 6 H SER 6 -0.534 -5.644 -2.753 34 HA SER 6 HA SER 6 -1.764 -3.692 -4.364 35 HG SER 6 HG SER 6 -0.859 -7.375 -5.657 36 HB2 SER 6 1HB SER 6 -1.483 -5.445 -6.201 37 HB3 SER 6 2HB SER 6 -0.016 -4.941 -5.366 38 H LEU 7 H LEU 7 -2.768 -6.824 -3.228 39 HA LEU 7 HA LEU 7 -5.213 -7.034 -4.660 40 HG LEU 7 HG LEU 7 -6.055 -9.050 -4.614 41 HB2 LEU 7 1HB LEU 7 -3.747 -8.740 -3.180 42 HB3 LEU 7 2HB LEU 7 -4.945 -8.301 -1.998 43 HD11 LEU 7 1HD1 LEU 7 -5.764 -11.525 -3.913 44 HD12 LEU 7 2HD1 LEU 7 -4.358 -10.932 -3.028 45 HD13 LEU 7 3HD1 LEU 7 -4.457 -10.712 -4.775 46 HD21 LEU 7 3HD2 LEU 7 -7.318 -10.574 -2.846 47 HD22 LEU 7 1HD2 LEU 7 -7.702 -8.865 -3.055 48 HD23 LEU 7 2HD2 LEU 7 -6.660 -9.378 -1.729 49 H GLN 8 H GLN 8 -4.203 -5.646 -1.678 50 HA GLN 8 HA GLN 8 -6.877 -5.098 -0.718 51 HB2 GLN 8 1HB GLN 8 -4.354 -3.896 0.397 52 HB3 GLN 8 2HB GLN 8 -5.862 -4.239 1.230 53 HG2 GLN 8 1HG GLN 8 -5.118 -6.729 0.434 54 HG3 GLN 8 2HG GLN 8 -3.550 -5.965 0.716 55 HE21 GLN 8 1HE2 GLN 8 -3.088 -5.148 2.799 56 HE22 GLN 8 2HE2 GLN 8 -3.915 -5.744 4.193 57 H GLN 9 H GLN 9 -4.328 -3.406 -2.400 58 HA GLN 9 HA GLN 9 -6.139 -1.207 -2.920 59 HB2 GLN 9 1HB GLN 9 -3.419 -0.910 -1.659 60 HB3 GLN 9 2HB GLN 9 -4.205 0.411 -2.512 61 HG2 GLN 9 1HG GLN 9 -6.173 0.015 -0.930 62 HG3 GLN 9 2HG GLN 9 -5.044 -0.936 0.030 63 HE21 GLN 9 1HE2 GLN 9 -3.199 0.157 0.958 64 HE22 GLN 9 2HE2 GLN 9 -3.244 1.862 1.220 65 HA PRO 10 HA PRO 10 -4.326 -1.972 -6.916 66 HB2 PRO 10 1HB PRO 10 -5.344 0.146 -8.261 67 HB3 PRO 10 2HB PRO 10 -6.315 -1.260 -7.810 68 HG2 PRO 10 1HG PRO 10 -6.118 1.413 -6.480 69 HG3 PRO 10 2HG PRO 10 -7.554 0.422 -6.797 70 HD2 PRO 10 1HD PRO 10 -6.336 0.528 -4.373 71 HD3 PRO 10 2HD PRO 10 -7.191 -0.914 -4.959 72 H GLY 11 H GLY 11 -2.552 -1.415 -8.037 73 HA2 GLY 11 1HA GLY 11 -0.701 -0.201 -8.746 74 HA3 GLY 11 2HA GLY 11 -1.463 1.226 -8.086 75 H CYS 12 H CYS 12 -1.490 -0.506 -5.410 76 HA CYS 12 HA CYS 12 0.563 0.803 -4.144 77 HB2 CYS 12 1HB CYS 12 -1.229 -0.405 -3.008 78 HB3 CYS 12 2HB CYS 12 -0.490 -1.914 -3.490 79 H SER 13 H SER 13 2.554 0.753 -4.392 80 HA SER 13 HA SER 13 4.129 -1.105 -5.754 81 HG SER 13 HG SER 13 6.538 -0.553 -5.412 82 HB2 SER 13 1HB SER 13 4.932 1.133 -5.505 83 HB3 SER 13 2HB SER 13 4.867 1.026 -3.750 84 H SER 14 H SER 14 5.110 -2.958 -5.125 85 HA SER 14 HA SER 14 4.402 -4.248 -2.721 86 HG SER 14 HG SER 14 5.443 -5.093 -5.895 87 HB2 SER 14 1HB SER 14 6.874 -4.783 -4.359 88 HB3 SER 14 2HB SER 14 6.019 -5.919 -3.319 89 H ALA 15 H ALA 15 7.016 -2.181 -3.627 90 HA ALA 15 HA ALA 15 8.751 -2.592 -1.467 91 HB1 ALA 15 3HB ALA 15 9.876 -1.484 -3.090 92 HB2 ALA 15 1HB ALA 15 9.350 -0.075 -2.168 93 HB3 ALA 15 2HB ALA 15 8.455 -0.574 -3.603 94 H CYS 16 H CYS 16 5.703 -1.161 -1.591 95 HA CYS 16 HA CYS 16 6.163 0.743 0.543 96 HB2 CYS 16 1HB CYS 16 3.649 -0.263 -0.806 97 HB3 CYS 16 2HB CYS 16 3.605 0.815 0.579 98 H ALA 17 H ALA 17 5.471 -2.600 0.186 99 HA ALA 17 HA ALA 17 4.211 -2.988 2.728 100 HB1 ALA 17 3HB ALA 17 3.786 -4.983 1.832 101 HB2 ALA 17 1HB ALA 17 5.504 -5.380 1.906 102 HB3 ALA 17 2HB ALA 17 4.842 -4.595 0.474 103 HA PRO 18 HA PRO 18 4.272 -4.995 4.103 104 HB2 PRO 18 1HB PRO 18 4.326 -5.131 6.770 105 HB3 PRO 18 2HB PRO 18 5.322 -6.187 5.763 106 HG2 PRO 18 1HG PRO 18 6.084 -3.684 7.223 107 HG3 PRO 18 2HG PRO 18 6.956 -5.224 7.120 108 HD2 PRO 18 1HD PRO 18 7.583 -3.057 5.594 109 HD3 PRO 18 2HD PRO 18 7.847 -4.730 5.069 110 H ALA 19 H ALA 19 5.103 -1.808 4.937 111 HA ALA 19 HA ALA 19 2.949 -1.099 6.608 112 HB1 ALA 19 3HB ALA 19 5.093 0.289 5.194 113 HB2 ALA 19 1HB ALA 19 4.392 0.599 6.781 114 HB3 ALA 19 2HB ALA 19 3.607 1.230 5.334 115 H CYS 20 H CYS 20 3.510 -0.424 3.204 116 HA CYS 20 HA CYS 20 2.204 0.033 1.495 117 HB2 CYS 20 1HB CYS 20 0.223 -1.790 2.828 118 HB3 CYS 20 2HB CYS 20 0.393 -1.439 1.123 119 H ARG 21 H ARG 21 2.077 2.044 3.300 120 HA ARG 21 HA ARG 21 -0.537 2.710 4.174 121 HE ARG 21 HE ARG 21 1.496 6.842 5.918 122 HB2 ARG 21 1HB ARG 21 1.875 4.464 3.680 123 HB3 ARG 21 2HB ARG 21 0.376 5.038 4.389 124 HG2 ARG 21 1HG ARG 21 0.918 2.910 5.979 125 HG3 ARG 21 2HG ARG 21 2.544 3.467 5.578 126 HD2 ARG 21 1HD ARG 21 0.318 5.098 6.793 127 HD3 ARG 21 2HD ARG 21 1.791 4.555 7.597 128 HH11 ARG 21 1HH1 ARG 21 3.757 4.383 6.928 129 HH12 ARG 21 2HH1 ARG 21 5.152 5.357 6.606 130 HH21 ARG 21 1HH2 ARG 21 3.330 8.124 5.492 131 HH22 ARG 21 2HH2 ARG 21 4.910 7.480 5.791 132 H LEU 22 H LEU 22 -1.994 4.190 3.376 133 HA LEU 22 HA LEU 22 -2.777 4.005 0.788 134 HG LEU 22 HG LEU 22 -4.387 5.764 -0.028 135 HB2 LEU 22 1HB LEU 22 -4.229 4.928 2.496 136 HB3 LEU 22 2HB LEU 22 -3.204 6.345 2.638 137 HD11 LEU 22 1HD1 LEU 22 -6.411 5.525 0.977 138 HD12 LEU 22 2HD1 LEU 22 -6.336 7.286 0.927 139 HD13 LEU 22 3HD1 LEU 22 -5.932 6.428 2.415 140 HD21 LEU 22 3HD2 LEU 22 -3.018 7.645 -0.018 141 HD22 LEU 22 1HD2 LEU 22 -3.583 8.168 1.569 142 HD23 LEU 22 2HD2 LEU 22 -4.638 8.321 0.164 143 H SER 23 H SER 23 -1.011 6.716 2.167 144 HA SER 23 HA SER 23 -0.629 8.175 -0.170 145 HG SER 23 HG SER 23 1.502 10.295 1.410 146 HB2 SER 23 1HB SER 23 -0.016 8.617 2.401 147 HB3 SER 23 2HB SER 23 1.587 8.178 1.811 148 H CYS 24 H CYS 24 1.014 5.315 0.932 149 HA CYS 24 HA CYS 24 3.124 5.656 -1.035 150 HB2 CYS 24 1HB CYS 24 3.615 4.813 1.322 151 HB3 CYS 24 2HB CYS 24 2.763 3.339 0.881 152 H CYS 25 H CYS 25 0.448 3.379 -0.374 153 HA CYS 25 HA CYS 25 1.055 1.637 -2.452 154 HB2 CYS 25 1HB CYS 25 -1.482 2.302 -1.028 155 HB3 CYS 25 2HB CYS 25 -1.490 1.184 -2.377 156 H SER 26 H SER 26 -1.493 4.096 -2.556 157 HA SER 26 HA SER 26 -1.588 3.950 -5.401 158 HG SER 26 HG SER 26 -3.141 7.103 -4.684 159 HB2 SER 26 1HB SER 26 -3.663 4.385 -4.578 160 HB3 SER 26 2HB SER 26 -3.062 5.473 -3.324 161 H LEU 27 H LEU 27 -0.434 6.315 -3.109 162 HA LEU 27 HA LEU 27 0.740 7.868 -5.304 163 HG LEU 27 HG LEU 27 0.746 10.093 -5.151 164 HB2 LEU 27 1HB LEU 27 -0.788 8.797 -3.371 165 HB3 LEU 27 2HB LEU 27 0.716 8.812 -2.474 166 HD11 LEU 27 1HD1 LEU 27 -0.578 11.855 -4.691 167 HD12 LEU 27 2HD1 LEU 27 -0.196 11.831 -2.970 168 HD13 LEU 27 3HD1 LEU 27 -1.385 10.705 -3.625 169 HD21 LEU 27 3HD2 LEU 27 2.022 10.510 -2.473 170 HD22 LEU 27 1HD2 LEU 27 2.053 11.773 -3.703 171 HD23 LEU 27 2HD2 LEU 27 2.783 10.203 -4.034 172 H GLY 28 H GLY 28 2.053 5.486 -4.700 173 HA2 GLY 28 1HA GLY 28 4.675 6.489 -4.119 174 HA3 GLY 28 2HA GLY 28 4.048 5.488 -2.816 Start of MODEL 5 1 HA ALA 1 HA ALA 1 6.228 -13.177 -0.012 2 H1 ALA 1 1H ALA 1 7.906 -14.341 -1.336 3 H2 ALA 1 2H ALA 1 7.393 -13.427 -2.695 4 H3 ALA 1 3H ALA 1 6.296 -14.486 -1.907 5 HB1 ALA 1 3HB ALA 1 8.674 -12.622 -0.096 6 HB2 ALA 1 1HB ALA 1 7.619 -11.289 0.375 7 HB3 ALA 1 2HB ALA 1 8.276 -11.358 -1.260 8 H GLN 2 H GLN 2 4.624 -13.420 -2.171 9 HA GLN 2 HA GLN 2 4.013 -11.419 -3.861 10 HB2 GLN 2 1HB GLN 2 1.553 -11.950 -3.408 11 HB3 GLN 2 2HB GLN 2 2.588 -13.274 -3.900 12 HG2 GLN 2 1HG GLN 2 2.199 -12.788 -0.994 13 HG3 GLN 2 2HG GLN 2 0.879 -13.502 -1.915 14 HE21 GLN 2 1HE2 GLN 2 2.915 -14.464 0.167 15 HE22 GLN 2 2HE2 GLN 2 3.482 -15.957 -0.491 16 H ASN 3 H ASN 3 2.819 -9.519 -3.884 17 HA ASN 3 HA ASN 3 2.943 -7.997 -1.412 18 HB2 ASN 3 1HB ASN 3 3.935 -6.953 -3.312 19 HB3 ASN 3 2HB ASN 3 2.512 -7.256 -4.296 20 HD21 ASN 3 1HD2 ASN 3 2.239 -5.213 -4.850 21 HD22 ASN 3 2HD2 ASN 3 1.716 -3.965 -3.770 22 HA PRO 4 HA PRO 4 -1.567 -9.056 -1.393 23 HB2 PRO 4 1HB PRO 4 -1.991 -8.622 1.255 24 HB3 PRO 4 2HB PRO 4 -1.374 -10.146 0.609 25 HG2 PRO 4 1HG PRO 4 0.137 -7.856 1.819 26 HG3 PRO 4 2HG PRO 4 0.327 -9.596 2.107 27 HD2 PRO 4 1HD PRO 4 1.979 -8.248 0.502 28 HD3 PRO 4 2HD PRO 4 1.498 -9.921 0.144 29 H CYS 5 H CYS 5 0.082 -6.254 -0.247 30 HA CYS 5 HA CYS 5 -2.080 -4.623 0.370 31 HB2 CYS 5 1HB CYS 5 0.578 -3.741 -0.772 32 HB3 CYS 5 2HB CYS 5 -0.526 -2.807 0.221 33 H SER 6 H SER 6 -0.677 -5.533 -2.670 34 HA SER 6 HA SER 6 -1.780 -3.533 -4.318 35 HG SER 6 HG SER 6 -0.151 -3.796 -5.880 36 HB2 SER 6 1HB SER 6 -0.825 -6.332 -4.794 37 HB3 SER 6 2HB SER 6 -1.713 -5.498 -6.066 38 H LEU 7 H LEU 7 -2.986 -6.598 -3.177 39 HA LEU 7 HA LEU 7 -5.441 -6.640 -4.601 40 HG LEU 7 HG LEU 7 -7.079 -8.599 -3.439 41 HB2 LEU 7 1HB LEU 7 -4.081 -8.447 -3.140 42 HB3 LEU 7 2HB LEU 7 -5.253 -7.949 -1.956 43 HD11 LEU 7 1HD1 LEU 7 -6.239 -8.179 -5.596 44 HD12 LEU 7 2HD1 LEU 7 -6.453 -9.926 -5.504 45 HD13 LEU 7 3HD1 LEU 7 -4.842 -9.225 -5.344 46 HD21 LEU 7 3HD2 LEU 7 -5.315 -10.977 -3.549 47 HD22 LEU 7 1HD2 LEU 7 -6.963 -10.812 -2.941 48 HD23 LEU 7 2HD2 LEU 7 -5.602 -10.251 -1.968 49 H GLN 8 H GLN 8 -4.353 -5.346 -1.605 50 HA GLN 8 HA GLN 8 -6.993 -4.657 -0.640 51 HB2 GLN 8 1HB GLN 8 -4.415 -3.600 0.495 52 HB3 GLN 8 2HB GLN 8 -5.939 -3.886 1.321 53 HG2 GLN 8 1HG GLN 8 -5.311 -6.396 0.497 54 HG3 GLN 8 2HG GLN 8 -3.708 -5.709 0.782 55 HE21 GLN 8 1HE2 GLN 8 -5.720 -7.642 2.182 56 HE22 GLN 8 2HE2 GLN 8 -5.596 -7.169 3.840 57 H GLN 9 H GLN 9 -4.346 -3.108 -2.289 58 HA GLN 9 HA GLN 9 -6.013 -0.778 -2.801 59 HB2 GLN 9 1HB GLN 9 -3.259 -0.673 -1.573 60 HB3 GLN 9 2HB GLN 9 -4.006 0.708 -2.364 61 HG2 GLN 9 1HG GLN 9 -4.926 1.234 -0.421 62 HG3 GLN 9 2HG GLN 9 -5.923 -0.209 -0.568 63 HE21 GLN 9 1HE2 GLN 9 -2.897 1.043 0.759 64 HE22 GLN 9 2HE2 GLN 9 -2.741 -0.158 1.990 65 HA PRO 10 HA PRO 10 -4.403 -2.300 -6.802 66 HB2 PRO 10 1HB PRO 10 -5.797 0.253 -7.509 67 HB3 PRO 10 2HB PRO 10 -5.812 -1.304 -8.348 68 HG2 PRO 10 1HG PRO 10 -7.867 -0.590 -6.830 69 HG3 PRO 10 2HG PRO 10 -7.276 -2.263 -6.816 70 HD2 PRO 10 1HD PRO 10 -6.954 -0.121 -4.779 71 HD3 PRO 10 2HD PRO 10 -7.083 -1.879 -4.561 72 H GLY 11 H GLY 11 -2.656 -1.773 -7.989 73 HA2 GLY 11 1HA GLY 11 -0.847 -0.562 -8.797 74 HA3 GLY 11 2HA GLY 11 -1.605 0.881 -8.168 75 H CYS 12 H CYS 12 -1.563 -0.723 -5.426 76 HA CYS 12 HA CYS 12 0.532 0.627 -4.275 77 HB2 CYS 12 1HB CYS 12 -1.232 -0.504 -3.028 78 HB3 CYS 12 2HB CYS 12 -0.532 -2.044 -3.467 79 H SER 13 H SER 13 2.517 0.547 -4.565 80 HA SER 13 HA SER 13 4.041 -1.381 -5.885 81 HG SER 13 HG SER 13 6.941 0.479 -4.719 82 HB2 SER 13 1HB SER 13 4.875 0.849 -5.765 83 HB3 SER 13 2HB SER 13 4.835 0.839 -4.008 84 H SER 14 H SER 14 5.070 -3.190 -5.204 85 HA SER 14 HA SER 14 4.406 -4.406 -2.739 86 HG SER 14 HG SER 14 7.058 -5.942 -2.546 87 HB2 SER 14 1HB SER 14 5.195 -5.721 -4.668 88 HB3 SER 14 2HB SER 14 6.773 -4.942 -4.533 89 H ALA 15 H ALA 15 7.006 -2.379 -3.780 90 HA ALA 15 HA ALA 15 8.763 -2.680 -1.620 91 HB1 ALA 15 3HB ALA 15 9.771 -1.705 -3.449 92 HB2 ALA 15 1HB ALA 15 9.497 -0.303 -2.415 93 HB3 ALA 15 2HB ALA 15 8.407 -0.633 -3.762 94 H CYS 16 H CYS 16 5.716 -1.265 -1.795 95 HA CYS 16 HA CYS 16 6.196 0.749 0.238 96 HB2 CYS 16 1HB CYS 16 3.672 -0.318 -1.039 97 HB3 CYS 16 2HB CYS 16 3.632 0.807 0.307 98 H ALA 17 H ALA 17 5.481 -2.603 0.051 99 HA ALA 17 HA ALA 17 4.275 -2.866 2.635 100 HB1 ALA 17 3HB ALA 17 4.874 -4.586 0.440 101 HB2 ALA 17 1HB ALA 17 3.798 -4.878 1.806 102 HB3 ALA 17 2HB ALA 17 5.504 -5.311 1.918 103 HA PRO 18 HA PRO 18 4.356 -4.804 4.098 104 HB2 PRO 18 1HB PRO 18 4.496 -4.854 6.761 105 HB3 PRO 18 2HB PRO 18 5.457 -5.949 5.762 106 HG2 PRO 18 1HG PRO 18 6.275 -3.402 7.112 107 HG3 PRO 18 2HG PRO 18 7.134 -4.951 7.038 108 HD2 PRO 18 1HD PRO 18 7.727 -2.844 5.416 109 HD3 PRO 18 2HD PRO 18 7.969 -4.535 4.948 110 H ALA 19 H ALA 19 5.254 -1.603 4.779 111 HA ALA 19 HA ALA 19 3.180 -0.794 6.506 112 HB1 ALA 19 3HB ALA 19 3.816 1.468 5.103 113 HB2 ALA 19 1HB ALA 19 5.283 0.500 4.946 114 HB3 ALA 19 2HB ALA 19 4.649 0.891 6.545 115 H CYS 20 H CYS 20 3.613 -0.305 3.052 116 HA CYS 20 HA CYS 20 2.247 0.082 1.371 117 HB2 CYS 20 1HB CYS 20 0.282 -1.602 2.896 118 HB3 CYS 20 2HB CYS 20 0.390 -1.363 1.167 119 H ARG 21 H ARG 21 2.236 2.201 3.072 120 HA ARG 21 HA ARG 21 -0.333 2.969 3.998 121 HE ARG 21 HE ARG 21 3.181 4.317 7.463 122 HB2 ARG 21 1HB ARG 21 2.095 4.640 3.328 123 HB3 ARG 21 2HB ARG 21 0.631 5.288 4.047 124 HG2 ARG 21 1HG ARG 21 1.166 3.256 5.749 125 HG3 ARG 21 2HG ARG 21 2.796 3.723 5.258 126 HD2 ARG 21 1HD ARG 21 2.075 6.117 5.762 127 HD3 ARG 21 2HD ARG 21 0.683 5.406 6.575 128 HH11 ARG 21 1HH1 ARG 21 0.927 6.951 7.868 129 HH12 ARG 21 2HH1 ARG 21 1.431 7.299 9.488 130 HH21 ARG 21 1HH2 ARG 21 3.845 4.773 9.593 131 HH22 ARG 21 2HH2 ARG 21 3.088 6.062 10.467 132 H LEU 22 H LEU 22 -1.803 4.407 3.163 133 HA LEU 22 HA LEU 22 -2.661 4.097 0.609 134 HG LEU 22 HG LEU 22 -4.234 5.866 -0.268 135 HB2 LEU 22 1HB LEU 22 -4.063 5.113 2.302 136 HB3 LEU 22 2HB LEU 22 -3.021 6.525 2.357 137 HD11 LEU 22 1HD1 LEU 22 -5.817 6.993 2.036 138 HD12 LEU 22 2HD1 LEU 22 -6.121 5.478 1.189 139 HD13 LEU 22 3HD1 LEU 22 -6.326 7.014 0.348 140 HD21 LEU 22 3HD2 LEU 22 -3.310 8.242 1.251 141 HD22 LEU 22 1HD2 LEU 22 -4.593 8.473 0.063 142 HD23 LEU 22 2HD2 LEU 22 -3.042 7.799 -0.435 143 H SER 23 H SER 23 -0.832 6.857 1.797 144 HA SER 23 HA SER 23 -0.514 8.193 -0.621 145 HG SER 23 HG SER 23 0.066 9.983 2.244 146 HB2 SER 23 1HB SER 23 1.650 8.175 1.466 147 HB3 SER 23 2HB SER 23 1.104 9.509 0.450 148 H CYS 24 H CYS 24 1.141 5.374 0.583 149 HA CYS 24 HA CYS 24 3.183 5.594 -1.476 150 HB2 CYS 24 1HB CYS 24 3.749 4.863 0.900 151 HB3 CYS 24 2HB CYS 24 2.864 3.380 0.564 152 H CYS 25 H CYS 25 0.527 3.362 -0.606 153 HA CYS 25 HA CYS 25 1.048 1.534 -2.634 154 HB2 CYS 25 1HB CYS 25 -1.424 2.256 -1.125 155 HB3 CYS 25 2HB CYS 25 -1.491 1.084 -2.427 156 H SER 26 H SER 26 -1.509 3.985 -2.726 157 HA SER 26 HA SER 26 -1.739 3.711 -5.554 158 HG SER 26 HG SER 26 -3.219 6.926 -4.544 159 HB2 SER 26 1HB SER 26 -3.789 4.236 -4.859 160 HB3 SER 26 2HB SER 26 -3.203 5.108 -3.444 161 H LEU 27 H LEU 27 -1.074 6.583 -3.647 162 HA LEU 27 HA LEU 27 -0.090 8.081 -5.820 163 HG LEU 27 HG LEU 27 1.971 9.746 -3.958 164 HB2 LEU 27 1HB LEU 27 -1.000 9.199 -3.910 165 HB3 LEU 27 2HB LEU 27 0.178 8.459 -2.844 166 HD11 LEU 27 1HD1 LEU 27 -0.300 10.556 -5.681 167 HD12 LEU 27 2HD1 LEU 27 1.393 10.280 -6.089 168 HD13 LEU 27 3HD1 LEU 27 0.911 11.779 -5.296 169 HD21 LEU 27 3HD2 LEU 27 0.357 10.565 -2.011 170 HD22 LEU 27 1HD2 LEU 27 -0.026 11.803 -3.207 171 HD23 LEU 27 2HD2 LEU 27 1.638 11.585 -2.665 172 H GLY 28 H GLY 28 1.409 5.647 -3.956 173 HA2 GLY 28 1HA GLY 28 4.075 6.617 -4.773 174 HA3 GLY 28 2HA GLY 28 3.780 5.534 -3.420 Start of MODEL 6 1 HA ALA 1 HA ALA 1 2.886 -15.614 -0.870 2 H1 ALA 1 1H ALA 1 4.223 -16.954 -2.111 3 H2 ALA 1 2H ALA 1 4.873 -17.072 -0.527 4 H3 ALA 1 3H ALA 1 5.648 -16.093 -1.705 5 HB1 ALA 1 3HB ALA 1 3.796 -15.364 1.203 6 HB2 ALA 1 1HB ALA 1 4.148 -13.766 0.545 7 HB3 ALA 1 2HB ALA 1 5.404 -15.004 0.577 8 H GLN 2 H GLN 2 2.134 -13.608 -1.556 9 HA GLN 2 HA GLN 2 3.910 -12.114 -3.368 10 HB2 GLN 2 1HB GLN 2 1.011 -12.828 -3.849 11 HB3 GLN 2 2HB GLN 2 1.957 -11.741 -4.856 12 HG2 GLN 2 1HG GLN 2 3.423 -13.522 -5.506 13 HG3 GLN 2 2HG GLN 2 2.650 -14.628 -4.371 14 HE21 GLN 2 1HE2 GLN 2 2.134 -16.079 -6.008 15 HE22 GLN 2 2HE2 GLN 2 0.874 -15.770 -7.148 16 H ASN 3 H ASN 3 3.592 -9.891 -3.480 17 HA ASN 3 HA ASN 3 3.035 -8.483 -1.242 18 HB2 ASN 3 1HB ASN 3 4.178 -7.439 -3.011 19 HB3 ASN 3 2HB ASN 3 2.875 -7.754 -4.147 20 HD21 ASN 3 1HD2 ASN 3 2.835 -5.668 -4.756 21 HD22 ASN 3 2HD2 ASN 3 2.157 -4.404 -3.786 22 HA PRO 4 HA PRO 4 -1.499 -9.214 -1.338 23 HB2 PRO 4 1HB PRO 4 -1.997 -8.620 1.259 24 HB3 PRO 4 2HB PRO 4 -1.394 -10.194 0.730 25 HG2 PRO 4 1HG PRO 4 0.116 -7.877 1.882 26 HG3 PRO 4 2HG PRO 4 0.265 -9.605 2.253 27 HD2 PRO 4 1HD PRO 4 1.981 -8.314 0.636 28 HD3 PRO 4 2HD PRO 4 1.558 -10.021 0.395 29 H CYS 5 H CYS 5 0.300 -6.411 -0.655 30 HA CYS 5 HA CYS 5 -1.672 -4.591 0.018 31 HB2 CYS 5 1HB CYS 5 0.782 -4.009 -1.651 32 HB3 CYS 5 2HB CYS 5 -0.112 -2.907 -0.622 33 H SER 6 H SER 6 -0.737 -5.947 -3.060 34 HA SER 6 HA SER 6 -2.058 -4.145 -4.758 35 HG SER 6 HG SER 6 0.297 -5.372 -5.025 36 HB2 SER 6 1HB SER 6 -1.955 -7.029 -5.462 37 HB3 SER 6 2HB SER 6 -1.599 -5.617 -6.452 38 H LEU 7 H LEU 7 -3.141 -7.063 -3.151 39 HA LEU 7 HA LEU 7 -5.699 -7.235 -4.349 40 HG LEU 7 HG LEU 7 -6.516 -9.334 -4.097 41 HB2 LEU 7 1HB LEU 7 -4.249 -8.906 -2.857 42 HB3 LEU 7 2HB LEU 7 -5.266 -8.258 -1.601 43 HD11 LEU 7 1HD1 LEU 7 -4.782 -10.920 -2.844 44 HD12 LEU 7 2HD1 LEU 7 -6.297 -11.515 -3.524 45 HD13 LEU 7 3HD1 LEU 7 -6.180 -11.167 -1.799 46 HD21 LEU 7 3HD2 LEU 7 -7.457 -9.403 -1.240 47 HD22 LEU 7 1HD2 LEU 7 -8.402 -9.680 -2.703 48 HD23 LEU 7 2HD2 LEU 7 -7.793 -8.065 -2.339 49 H GLN 8 H GLN 8 -4.499 -5.784 -1.433 50 HA GLN 8 HA GLN 8 -7.132 -4.933 -0.575 51 HB2 GLN 8 1HB GLN 8 -5.965 -3.874 1.302 52 HB3 GLN 8 2HB GLN 8 -5.517 -5.561 1.123 53 HG2 GLN 8 1HG GLN 8 -3.370 -5.077 0.714 54 HG3 GLN 8 2HG GLN 8 -3.766 -3.657 -0.255 55 HE21 GLN 8 1HE2 GLN 8 -2.082 -2.530 0.789 56 HE22 GLN 8 2HE2 GLN 8 -2.282 -1.906 2.388 57 H GLN 9 H GLN 9 -4.373 -3.587 -2.166 58 HA GLN 9 HA GLN 9 -5.900 -1.196 -2.808 59 HB2 GLN 9 1HB GLN 9 -3.324 -1.271 -1.305 60 HB3 GLN 9 2HB GLN 9 -3.615 0.059 -2.420 61 HG2 GLN 9 1HG GLN 9 -4.875 1.087 -0.922 62 HG3 GLN 9 2HG GLN 9 -5.933 -0.318 -0.818 63 HE21 GLN 9 1HE2 GLN 9 -2.922 1.055 0.467 64 HE22 GLN 9 2HE2 GLN 9 -3.022 0.261 1.997 65 HA PRO 10 HA PRO 10 -3.959 -2.327 -6.700 66 HB2 PRO 10 1HB PRO 10 -5.143 -0.503 -8.280 67 HB3 PRO 10 2HB PRO 10 -6.023 -1.895 -7.638 68 HG2 PRO 10 1HG PRO 10 -5.998 0.938 -6.674 69 HG3 PRO 10 2HG PRO 10 -7.370 -0.170 -6.858 70 HD2 PRO 10 1HD PRO 10 -6.138 0.330 -4.474 71 HD3 PRO 10 2HD PRO 10 -6.969 -1.195 -4.849 72 H GLY 11 H GLY 11 -2.358 -1.553 -8.079 73 HA2 GLY 11 1HA GLY 11 -0.636 -0.176 -8.824 74 HA3 GLY 11 2HA GLY 11 -1.494 1.170 -8.104 75 H CYS 12 H CYS 12 -1.366 -0.474 -5.468 76 HA CYS 12 HA CYS 12 0.645 0.891 -4.218 77 HB2 CYS 12 1HB CYS 12 -1.141 -0.352 -3.110 78 HB3 CYS 12 2HB CYS 12 -0.344 -1.844 -3.553 79 H SER 13 H SER 13 2.646 0.875 -4.430 80 HA SER 13 HA SER 13 4.275 -0.961 -5.759 81 HG SER 13 HG SER 13 6.644 -0.414 -5.370 82 HB2 SER 13 1HB SER 13 5.036 1.299 -5.468 83 HB3 SER 13 2HB SER 13 4.958 1.153 -3.715 84 H SER 14 H SER 14 5.258 -2.807 -5.113 85 HA SER 14 HA SER 14 4.505 -4.122 -2.740 86 HG SER 14 HG SER 14 4.843 -6.163 -4.890 87 HB2 SER 14 1HB SER 14 7.028 -4.609 -4.317 88 HB3 SER 14 2HB SER 14 6.169 -5.764 -3.301 89 H ALA 15 H ALA 15 7.126 -2.012 -3.548 90 HA ALA 15 HA ALA 15 8.806 -2.448 -1.347 91 HB1 ALA 15 3HB ALA 15 10.031 -0.612 -2.075 92 HB2 ALA 15 1HB ALA 15 8.607 0.206 -2.719 93 HB3 ALA 15 2HB ALA 15 9.274 -1.195 -3.556 94 H CYS 16 H CYS 16 5.751 -1.030 -1.527 95 HA CYS 16 HA CYS 16 6.142 0.820 0.669 96 HB2 CYS 16 1HB CYS 16 3.670 -0.150 -0.782 97 HB3 CYS 16 2HB CYS 16 3.590 0.907 0.618 98 H ALA 17 H ALA 17 5.485 -2.508 0.204 99 HA ALA 17 HA ALA 17 4.118 -3.003 2.674 100 HB1 ALA 17 3HB ALA 17 3.761 -4.946 1.652 101 HB2 ALA 17 1HB ALA 17 5.468 -5.350 1.847 102 HB3 ALA 17 2HB ALA 17 4.919 -4.517 0.394 103 HA PRO 18 HA PRO 18 4.205 -5.132 3.922 104 HB2 PRO 18 1HB PRO 18 4.119 -5.400 6.587 105 HB3 PRO 18 2HB PRO 18 5.176 -6.388 5.574 106 HG2 PRO 18 1HG PRO 18 5.835 -3.978 7.219 107 HG3 PRO 18 2HG PRO 18 6.744 -5.486 7.029 108 HD2 PRO 18 1HD PRO 18 7.362 -3.187 5.694 109 HD3 PRO 18 2HD PRO 18 7.708 -4.809 5.071 110 H ALA 19 H ALA 19 4.881 -1.977 5.058 111 HA ALA 19 HA ALA 19 2.545 -1.469 6.552 112 HB1 ALA 19 3HB ALA 19 4.787 0.082 5.508 113 HB2 ALA 19 1HB ALA 19 3.904 0.241 7.026 114 HB3 ALA 19 2HB ALA 19 3.266 0.978 5.558 115 H CYS 20 H CYS 20 3.436 -0.453 3.306 116 HA CYS 20 HA CYS 20 2.314 0.151 1.535 117 HB2 CYS 20 1HB CYS 20 0.619 -2.110 2.526 118 HB3 CYS 20 2HB CYS 20 0.346 -1.299 1.004 119 H ARG 21 H ARG 21 1.940 2.021 3.294 120 HA ARG 21 HA ARG 21 -0.729 2.551 4.086 121 HE ARG 21 HE ARG 21 3.693 5.474 4.777 122 HB2 ARG 21 1HB ARG 21 1.569 4.469 3.671 123 HB3 ARG 21 2HB ARG 21 0.065 4.850 4.494 124 HG2 ARG 21 1HG ARG 21 0.933 4.142 6.397 125 HG3 ARG 21 2HG ARG 21 1.114 2.527 5.710 126 HD2 ARG 21 1HD ARG 21 3.252 3.269 6.515 127 HD3 ARG 21 2HD ARG 21 3.291 3.233 4.753 128 HH11 ARG 21 1HH1 ARG 21 2.249 4.593 7.830 129 HH12 ARG 21 2HH1 ARG 21 2.426 6.175 8.512 130 HH21 ARG 21 1HH2 ARG 21 3.925 7.555 5.672 131 HH22 ARG 21 2HH2 ARG 21 3.377 7.856 7.287 132 H LEU 22 H LEU 22 -2.179 4.058 3.292 133 HA LEU 22 HA LEU 22 -2.894 3.914 0.681 134 HG LEU 22 HG LEU 22 -4.436 5.727 -0.160 135 HB2 LEU 22 1HB LEU 22 -4.408 4.774 2.362 136 HB3 LEU 22 2HB LEU 22 -3.406 6.200 2.575 137 HD11 LEU 22 1HD1 LEU 22 -6.486 5.246 0.738 138 HD12 LEU 22 2HD1 LEU 22 -6.560 7.007 0.700 139 HD13 LEU 22 3HD1 LEU 22 -6.185 6.173 2.207 140 HD21 LEU 22 3HD2 LEU 22 -3.107 7.742 1.055 141 HD22 LEU 22 1HD2 LEU 22 -4.772 8.296 1.233 142 HD23 LEU 22 2HD2 LEU 22 -4.126 7.946 -0.370 143 H SER 23 H SER 23 -1.226 6.635 2.156 144 HA SER 23 HA SER 23 -0.802 8.141 -0.140 145 HG SER 23 HG SER 23 -0.397 10.112 0.751 146 HB2 SER 23 1HB SER 23 -0.271 8.525 2.472 147 HB3 SER 23 2HB SER 23 1.359 8.194 1.885 148 H CYS 24 H CYS 24 0.882 5.303 0.956 149 HA CYS 24 HA CYS 24 3.057 5.752 -0.920 150 HB2 CYS 24 1HB CYS 24 3.473 4.850 1.434 151 HB3 CYS 24 2HB CYS 24 2.678 3.371 0.912 152 H CYS 25 H CYS 25 0.387 3.451 -0.429 153 HA CYS 25 HA CYS 25 1.101 1.731 -2.492 154 HB2 CYS 25 1HB CYS 25 -1.501 2.382 -1.180 155 HB3 CYS 25 2HB CYS 25 -1.440 1.263 -2.529 156 H SER 26 H SER 26 -1.461 4.165 -2.691 157 HA SER 26 HA SER 26 -1.400 4.079 -5.540 158 HG SER 26 HG SER 26 -3.811 6.358 -3.235 159 HB2 SER 26 1HB SER 26 -3.205 5.643 -5.481 160 HB3 SER 26 2HB SER 26 -3.461 4.433 -4.221 161 H LEU 27 H LEU 27 -0.637 6.547 -3.181 162 HA LEU 27 HA LEU 27 0.686 8.162 -5.213 163 HG LEU 27 HG LEU 27 1.868 10.136 -3.998 164 HB2 LEU 27 1HB LEU 27 -0.857 9.226 -3.623 165 HB3 LEU 27 2HB LEU 27 0.162 8.712 -2.292 166 HD11 LEU 27 1HD1 LEU 27 0.327 11.282 -5.242 167 HD12 LEU 27 2HD1 LEU 27 0.488 12.367 -3.862 168 HD13 LEU 27 3HD1 LEU 27 -0.885 11.265 -3.960 169 HD21 LEU 27 3HD2 LEU 27 0.486 10.898 -1.431 170 HD22 LEU 27 1HD2 LEU 27 1.823 11.800 -2.145 171 HD23 LEU 27 2HD2 LEU 27 2.066 10.137 -1.612 172 H GLY 28 H GLY 28 2.005 5.746 -4.677 173 HA2 GLY 28 1HA GLY 28 4.604 6.742 -4.005 174 HA3 GLY 28 2HA GLY 28 3.955 5.704 -2.743 Start of MODEL 7 1 HA ALA 1 HA ALA 1 8.325 -10.121 0.219 2 H1 ALA 1 1H ALA 1 9.311 -12.571 -1.039 3 H2 ALA 1 2H ALA 1 8.122 -12.602 0.197 4 H3 ALA 1 3H ALA 1 9.667 -11.921 0.506 5 HB1 ALA 1 3HB ALA 1 10.112 -9.485 -1.018 6 HB2 ALA 1 1HB ALA 1 8.910 -9.490 -2.309 7 HB3 ALA 1 2HB ALA 1 9.992 -10.867 -2.106 8 H GLN 2 H GLN 2 6.130 -10.532 0.396 9 HA GLN 2 HA GLN 2 4.706 -11.320 -2.044 10 HB2 GLN 2 1HB GLN 2 3.816 -11.191 0.842 11 HB3 GLN 2 2HB GLN 2 2.742 -11.574 -0.497 12 HG2 GLN 2 1HG GLN 2 5.236 -13.158 -0.025 13 HG3 GLN 2 2HG GLN 2 3.754 -13.496 0.870 14 HE21 GLN 2 1HE2 GLN 2 1.781 -13.749 -0.537 15 HE22 GLN 2 2HE2 GLN 2 1.975 -14.657 -1.994 16 H ASN 3 H ASN 3 2.908 -10.108 -2.792 17 HA ASN 3 HA ASN 3 2.961 -7.289 -1.970 18 HB2 ASN 3 1HB ASN 3 3.768 -7.968 -4.324 19 HB3 ASN 3 2HB ASN 3 2.068 -8.264 -4.675 20 HD21 ASN 3 1HD2 ASN 3 3.396 -5.749 -2.622 21 HD22 ASN 3 2HD2 ASN 3 2.861 -4.421 -3.585 22 HA PRO 4 HA PRO 4 -1.357 -9.200 -1.374 23 HB2 PRO 4 1HB PRO 4 -1.565 -8.692 1.297 24 HB3 PRO 4 2HB PRO 4 -0.954 -10.215 0.641 25 HG2 PRO 4 1HG PRO 4 0.570 -7.843 1.656 26 HG3 PRO 4 2HG PRO 4 0.861 -9.567 1.952 27 HD2 PRO 4 1HD PRO 4 2.309 -8.186 0.158 28 HD3 PRO 4 2HD PRO 4 1.856 -9.883 -0.114 29 H CYS 5 H CYS 5 0.262 -6.327 -0.373 30 HA CYS 5 HA CYS 5 -1.917 -4.743 0.312 31 HB2 CYS 5 1HB CYS 5 0.707 -3.843 -0.894 32 HB3 CYS 5 2HB CYS 5 -0.392 -2.898 0.097 33 H SER 6 H SER 6 -0.590 -5.658 -2.762 34 HA SER 6 HA SER 6 -1.779 -3.684 -4.385 35 HG SER 6 HG SER 6 -0.845 -5.469 -7.209 36 HB2 SER 6 1HB SER 6 -0.036 -5.424 -5.073 37 HB3 SER 6 2HB SER 6 -1.384 -6.547 -5.241 38 H LEU 7 H LEU 7 -2.904 -6.738 -3.139 39 HA LEU 7 HA LEU 7 -5.407 -6.842 -4.482 40 HG LEU 7 HG LEU 7 -5.827 -10.134 -2.977 41 HB2 LEU 7 1HB LEU 7 -3.984 -8.600 -3.019 42 HB3 LEU 7 2HB LEU 7 -5.113 -8.071 -1.805 43 HD11 LEU 7 1HD1 LEU 7 -8.117 -9.475 -3.300 44 HD12 LEU 7 2HD1 LEU 7 -7.642 -7.787 -3.498 45 HD13 LEU 7 3HD1 LEU 7 -7.448 -8.580 -1.935 46 HD21 LEU 7 3HD2 LEU 7 -6.283 -10.232 -5.233 47 HD22 LEU 7 1HD2 LEU 7 -4.853 -9.199 -5.206 48 HD23 LEU 7 2HD2 LEU 7 -6.455 -8.483 -5.383 49 H GLN 8 H GLN 8 -4.205 -5.460 -1.575 50 HA GLN 8 HA GLN 8 -6.795 -4.729 -0.519 51 HB2 GLN 8 1HB GLN 8 -4.148 -3.680 0.460 52 HB3 GLN 8 2HB GLN 8 -5.640 -3.892 1.364 53 HG2 GLN 8 1HG GLN 8 -5.114 -6.446 0.597 54 HG3 GLN 8 2HG GLN 8 -3.485 -5.795 0.800 55 HE21 GLN 8 1HE2 GLN 8 -6.457 -6.639 2.367 56 HE22 GLN 8 2HE2 GLN 8 -5.884 -6.499 3.990 57 H GLN 9 H GLN 9 -4.235 -3.245 -2.364 58 HA GLN 9 HA GLN 9 -5.913 -0.931 -2.837 59 HB2 GLN 9 1HB GLN 9 -3.007 -0.612 -2.072 60 HB3 GLN 9 2HB GLN 9 -4.167 0.670 -2.385 61 HG2 GLN 9 1HG GLN 9 -5.464 -0.342 -0.392 62 HG3 GLN 9 2HG GLN 9 -3.925 -1.119 -0.012 63 HE21 GLN 9 1HE2 GLN 9 -3.713 0.104 1.935 64 HE22 GLN 9 2HE2 GLN 9 -3.303 1.778 1.895 65 HA PRO 10 HA PRO 10 -4.424 -1.880 -6.915 66 HB2 PRO 10 1HB PRO 10 -5.222 0.372 -8.207 67 HB3 PRO 10 2HB PRO 10 -6.334 -0.914 -7.724 68 HG2 PRO 10 1HG PRO 10 -5.760 1.700 -6.388 69 HG3 PRO 10 2HG PRO 10 -7.317 0.887 -6.639 70 HD2 PRO 10 1HD PRO 10 -5.988 0.826 -4.276 71 HD3 PRO 10 2HD PRO 10 -7.021 -0.508 -4.830 72 H GLY 11 H GLY 11 -2.543 -1.710 -7.904 73 HA2 GLY 11 1HA GLY 11 -0.539 -0.839 -8.691 74 HA3 GLY 11 2HA GLY 11 -1.163 0.750 -8.309 75 H CYS 12 H CYS 12 -1.358 -0.858 -5.434 76 HA CYS 12 HA CYS 12 0.607 0.589 -4.175 77 HB2 CYS 12 1HB CYS 12 -1.179 -0.643 -3.045 78 HB3 CYS 12 2HB CYS 12 -0.348 -2.137 -3.413 79 H SER 13 H SER 13 2.605 0.605 -4.363 80 HA SER 13 HA SER 13 4.292 -1.238 -5.600 81 HG SER 13 HG SER 13 6.725 -0.410 -5.296 82 HB2 SER 13 1HB SER 13 4.996 1.036 -5.433 83 HB3 SER 13 2HB SER 13 4.879 1.008 -3.678 84 H SER 14 H SER 14 5.385 -2.999 -4.868 85 HA SER 14 HA SER 14 4.669 -4.247 -2.444 86 HG SER 14 HG SER 14 5.655 -4.955 -5.487 87 HB2 SER 14 1HB SER 14 7.226 -4.681 -3.982 88 HB3 SER 14 2HB SER 14 6.417 -5.828 -2.917 89 H ALA 15 H ALA 15 7.201 -2.063 -3.341 90 HA ALA 15 HA ALA 15 8.864 -2.300 -1.099 91 HB1 ALA 15 3HB ALA 15 9.992 -1.199 -2.726 92 HB2 ALA 15 1HB ALA 15 9.370 0.213 -1.870 93 HB3 ALA 15 2HB ALA 15 8.550 -0.374 -3.317 94 H CYS 16 H CYS 16 5.757 -1.030 -1.396 95 HA CYS 16 HA CYS 16 6.037 0.959 0.691 96 HB2 CYS 16 1HB CYS 16 3.630 -0.205 -0.725 97 HB3 CYS 16 2HB CYS 16 3.484 0.924 0.613 98 H ALA 17 H ALA 17 5.508 -2.416 0.400 99 HA ALA 17 HA ALA 17 4.163 -2.810 2.891 100 HB1 ALA 17 3HB ALA 17 3.856 -4.820 1.981 101 HB2 ALA 17 1HB ALA 17 5.572 -5.164 2.207 102 HB3 ALA 17 2HB ALA 17 5.008 -4.436 0.704 103 HA PRO 18 HA PRO 18 4.250 -4.781 4.306 104 HB2 PRO 18 1HB PRO 18 4.188 -4.862 6.975 105 HB3 PRO 18 2HB PRO 18 5.271 -5.895 6.037 106 HG2 PRO 18 1HG PRO 18 5.864 -3.336 7.477 107 HG3 PRO 18 2HG PRO 18 6.802 -4.840 7.442 108 HD2 PRO 18 1HD PRO 18 7.405 -2.676 5.901 109 HD3 PRO 18 2HD PRO 18 7.763 -4.344 5.423 110 H ALA 19 H ALA 19 4.912 -1.547 5.113 111 HA ALA 19 HA ALA 19 2.656 -0.895 6.668 112 HB1 ALA 19 3HB ALA 19 3.287 1.436 5.384 113 HB2 ALA 19 1HB ALA 19 4.812 0.550 5.332 114 HB3 ALA 19 2HB ALA 19 4.023 0.859 6.878 115 H CYS 20 H CYS 20 3.349 -0.252 3.281 116 HA CYS 20 HA CYS 20 2.110 0.134 1.510 117 HB2 CYS 20 1HB CYS 20 0.140 -1.748 2.773 118 HB3 CYS 20 2HB CYS 20 0.369 -1.403 1.074 119 H ARG 21 H ARG 21 1.836 2.184 3.213 120 HA ARG 21 HA ARG 21 -0.829 2.779 3.984 121 HE ARG 21 HE ARG 21 3.354 3.484 4.467 122 HB2 ARG 21 1HB ARG 21 1.552 4.582 3.528 123 HB3 ARG 21 2HB ARG 21 -0.002 5.165 4.098 124 HG2 ARG 21 1HG ARG 21 0.275 4.313 6.169 125 HG3 ARG 21 2HG ARG 21 1.180 2.911 5.596 126 HD2 ARG 21 1HD ARG 21 2.216 5.733 5.849 127 HD3 ARG 21 2HD ARG 21 2.611 4.377 6.905 128 HH11 ARG 21 1HH1 ARG 21 4.053 6.407 6.240 129 HH12 ARG 21 2HH1 ARG 21 5.616 6.617 5.524 130 HH21 ARG 21 1HH2 ARG 21 5.410 3.756 3.525 131 HH22 ARG 21 2HH2 ARG 21 6.386 5.112 3.982 132 H LEU 22 H LEU 22 -2.300 4.206 3.092 133 HA LEU 22 HA LEU 22 -3.019 3.882 0.506 134 HG LEU 22 HG LEU 22 -4.742 3.795 2.557 135 HB2 LEU 22 1HB LEU 22 -3.565 6.077 2.455 136 HB3 LEU 22 2HB LEU 22 -4.187 6.185 0.819 137 HD11 LEU 22 1HD1 LEU 22 -6.700 6.026 2.271 138 HD12 LEU 22 2HD1 LEU 22 -5.450 6.118 3.511 139 HD13 LEU 22 3HD1 LEU 22 -6.591 4.774 3.508 140 HD21 LEU 22 3HD2 LEU 22 -5.095 3.808 0.031 141 HD22 LEU 22 1HD2 LEU 22 -6.402 4.952 0.338 142 HD23 LEU 22 2HD2 LEU 22 -6.465 3.333 1.034 143 H SER 23 H SER 23 -1.393 6.726 1.785 144 HA SER 23 HA SER 23 -0.993 8.066 -0.619 145 HG SER 23 HG SER 23 0.373 7.597 2.765 146 HB2 SER 23 1HB SER 23 0.795 9.297 0.553 147 HB3 SER 23 2HB SER 23 -0.644 9.125 1.557 148 H CYS 24 H CYS 24 0.717 5.335 0.689 149 HA CYS 24 HA CYS 24 2.887 5.675 -1.217 150 HB2 CYS 24 1HB CYS 24 3.322 4.954 1.191 151 HB3 CYS 24 2HB CYS 24 2.541 3.430 0.785 152 H CYS 25 H CYS 25 0.263 3.351 -0.560 153 HA CYS 25 HA CYS 25 1.007 1.529 -2.520 154 HB2 CYS 25 1HB CYS 25 -1.605 2.184 -1.230 155 HB3 CYS 25 2HB CYS 25 -1.524 0.997 -2.519 156 H SER 26 H SER 26 -1.616 3.887 -2.846 157 HA SER 26 HA SER 26 -1.602 3.607 -5.682 158 HG SER 26 HG SER 26 -4.035 6.222 -3.780 159 HB2 SER 26 1HB SER 26 -3.437 5.137 -5.696 160 HB3 SER 26 2HB SER 26 -3.642 4.004 -4.358 161 H LEU 27 H LEU 27 -1.212 6.492 -3.728 162 HA LEU 27 HA LEU 27 -0.101 8.040 -5.804 163 HG LEU 27 HG LEU 27 1.362 9.989 -4.700 164 HB2 LEU 27 1HB LEU 27 -1.263 8.981 -3.852 165 HB3 LEU 27 2HB LEU 27 0.057 8.472 -2.821 166 HD11 LEU 27 1HD1 LEU 27 -0.304 11.036 -5.826 167 HD12 LEU 27 2HD1 LEU 27 -0.185 12.135 -4.451 168 HD13 LEU 27 3HD1 LEU 27 -1.446 10.902 -4.489 169 HD21 LEU 27 3HD2 LEU 27 2.034 10.430 -2.582 170 HD22 LEU 27 1HD2 LEU 27 0.394 10.381 -1.933 171 HD23 LEU 27 2HD2 LEU 27 0.961 11.814 -2.791 172 H GLY 28 H GLY 28 1.324 5.643 -3.844 173 HA2 GLY 28 1HA GLY 28 4.011 6.725 -4.420 174 HA3 GLY 28 2HA GLY 28 3.646 5.631 -3.095 Start of MODEL 8 1 HA ALA 1 HA ALA 1 6.946 -11.864 1.647 2 H1 ALA 1 1H ALA 1 8.853 -13.150 1.074 3 H2 ALA 1 2H ALA 1 8.796 -12.554 -0.534 4 H3 ALA 1 3H ALA 1 7.518 -13.529 0.069 5 HB1 ALA 1 3HB ALA 1 9.468 -11.015 1.485 6 HB2 ALA 1 1HB ALA 1 8.150 -9.983 2.039 7 HB3 ALA 1 2HB ALA 1 8.721 -9.866 0.375 8 H GLN 2 H GLN 2 5.141 -12.272 0.302 9 HA GLN 2 HA GLN 2 4.903 -11.008 -2.267 10 HB2 GLN 2 1HB GLN 2 3.002 -12.524 -0.496 11 HB3 GLN 2 2HB GLN 2 2.449 -11.738 -1.965 12 HG2 GLN 2 1HG GLN 2 3.525 -13.208 -3.331 13 HG3 GLN 2 2HG GLN 2 4.791 -13.548 -2.152 14 HE21 GLN 2 1HE2 GLN 2 4.238 -14.899 -0.334 15 HE22 GLN 2 2HE2 GLN 2 3.016 -16.107 -0.508 16 H ASN 3 H ASN 3 3.389 -9.352 -2.819 17 HA ASN 3 HA ASN 3 3.044 -7.400 -0.670 18 HB2 ASN 3 1HB ASN 3 4.230 -6.481 -2.487 19 HB3 ASN 3 2HB ASN 3 3.140 -7.195 -3.665 20 HD21 ASN 3 1HD2 ASN 3 2.655 -5.379 -4.656 21 HD22 ASN 3 2HD2 ASN 3 1.721 -4.097 -3.962 22 HA PRO 4 HA PRO 4 -1.293 -9.010 -1.364 23 HB2 PRO 4 1HB PRO 4 -2.122 -8.702 1.210 24 HB3 PRO 4 2HB PRO 4 -1.313 -10.160 0.621 25 HG2 PRO 4 1HG PRO 4 -0.150 -7.813 2.089 26 HG3 PRO 4 2HG PRO 4 0.112 -9.547 2.369 27 HD2 PRO 4 1HD PRO 4 1.882 -8.062 1.048 28 HD3 PRO 4 2HD PRO 4 1.560 -9.743 0.574 29 H CYS 5 H CYS 5 0.086 -6.127 -0.183 30 HA CYS 5 HA CYS 5 -2.213 -4.623 0.328 31 HB2 CYS 5 1HB CYS 5 0.463 -3.608 -0.644 32 HB3 CYS 5 2HB CYS 5 -0.752 -2.727 0.267 33 H SER 6 H SER 6 -0.581 -5.459 -2.620 34 HA SER 6 HA SER 6 -1.693 -3.517 -4.329 35 HG SER 6 HG SER 6 0.274 -4.340 -6.425 36 HB2 SER 6 1HB SER 6 -0.550 -6.252 -4.746 37 HB3 SER 6 2HB SER 6 -1.432 -5.487 -6.065 38 H LEU 7 H LEU 7 -2.796 -6.634 -3.234 39 HA LEU 7 HA LEU 7 -5.163 -6.815 -4.791 40 HG LEU 7 HG LEU 7 -5.892 -8.908 -4.854 41 HB2 LEU 7 1HB LEU 7 -3.794 -8.538 -3.242 42 HB3 LEU 7 2HB LEU 7 -5.050 -8.092 -2.124 43 HD11 LEU 7 1HD1 LEU 7 -5.243 -10.986 -2.788 44 HD12 LEU 7 2HD1 LEU 7 -4.091 -10.520 -4.039 45 HD13 LEU 7 3HD1 LEU 7 -5.652 -11.208 -4.489 46 HD21 LEU 7 3HD2 LEU 7 -7.267 -8.192 -2.688 47 HD22 LEU 7 1HD2 LEU 7 -7.114 -9.917 -2.352 48 HD23 LEU 7 2HD2 LEU 7 -7.874 -9.373 -3.849 49 H GLN 8 H GLN 8 -4.309 -5.449 -1.748 50 HA GLN 8 HA GLN 8 -7.035 -4.888 -0.945 51 HB2 GLN 8 1HB GLN 8 -4.586 -3.697 0.333 52 HB3 GLN 8 2HB GLN 8 -6.140 -4.056 1.068 53 HG2 GLN 8 1HG GLN 8 -5.333 -6.534 0.299 54 HG3 GLN 8 2HG GLN 8 -3.791 -5.762 0.683 55 HE21 GLN 8 1HE2 GLN 8 -6.680 -7.116 1.907 56 HE22 GLN 8 2HE2 GLN 8 -6.343 -6.896 3.587 57 H GLN 9 H GLN 9 -4.375 -3.208 -2.441 58 HA GLN 9 HA GLN 9 -6.122 -0.963 -3.061 59 HB2 GLN 9 1HB GLN 9 -3.466 -0.730 -1.652 60 HB3 GLN 9 2HB GLN 9 -4.207 0.614 -2.510 61 HG2 GLN 9 1HG GLN 9 -5.244 1.118 -0.617 62 HG3 GLN 9 2HG GLN 9 -6.222 -0.325 -0.863 63 HE21 GLN 9 1HE2 GLN 9 -3.319 0.916 0.725 64 HE22 GLN 9 2HE2 GLN 9 -3.261 -0.302 1.947 65 HA PRO 10 HA PRO 10 -4.162 -2.375 -6.948 66 HB2 PRO 10 1HB PRO 10 -5.661 0.084 -7.764 67 HB3 PRO 10 2HB PRO 10 -5.533 -1.477 -8.583 68 HG2 PRO 10 1HG PRO 10 -7.719 -0.864 -7.206 69 HG3 PRO 10 2HG PRO 10 -7.044 -2.503 -7.146 70 HD2 PRO 10 1HD PRO 10 -6.966 -0.344 -5.102 71 HD3 PRO 10 2HD PRO 10 -7.019 -2.106 -4.885 72 H GLY 11 H GLY 11 -2.421 -1.684 -8.094 73 HA2 GLY 11 1HA GLY 11 -0.678 -0.317 -8.795 74 HA3 GLY 11 2HA GLY 11 -1.528 1.040 -8.099 75 H CYS 12 H CYS 12 -1.496 -0.549 -5.420 76 HA CYS 12 HA CYS 12 0.585 0.780 -4.221 77 HB2 CYS 12 1HB CYS 12 -1.219 -0.337 -3.018 78 HB3 CYS 12 2HB CYS 12 -0.519 -1.882 -3.436 79 H SER 13 H SER 13 2.573 0.685 -4.465 80 HA SER 13 HA SER 13 4.122 -1.252 -5.743 81 HG SER 13 HG SER 13 6.620 -0.344 -3.770 82 HB2 SER 13 1HB SER 13 4.953 0.986 -5.594 83 HB3 SER 13 2HB SER 13 4.886 0.957 -3.837 84 H SER 14 H SER 14 5.144 -3.062 -5.027 85 HA SER 14 HA SER 14 4.397 -4.274 -2.599 86 HG SER 14 HG SER 14 5.407 -5.104 -5.693 87 HB2 SER 14 1HB SER 14 6.905 -4.848 -4.165 88 HB3 SER 14 2HB SER 14 6.038 -5.951 -3.101 89 H ALA 15 H ALA 15 7.049 -2.245 -3.508 90 HA ALA 15 HA ALA 15 8.702 -2.594 -1.275 91 HB1 ALA 15 3HB ALA 15 9.616 -1.626 -3.261 92 HB2 ALA 15 1HB ALA 15 9.715 -0.421 -1.977 93 HB3 ALA 15 2HB ALA 15 8.459 -0.297 -3.209 94 H CYS 16 H CYS 16 5.684 -1.129 -1.550 95 HA CYS 16 HA CYS 16 6.107 0.847 0.525 96 HB2 CYS 16 1HB CYS 16 3.612 -0.195 -0.837 97 HB3 CYS 16 2HB CYS 16 3.558 0.963 0.484 98 H ALA 17 H ALA 17 5.340 -2.496 0.254 99 HA ALA 17 HA ALA 17 4.045 -2.770 2.797 100 HB1 ALA 17 3HB ALA 17 4.613 -4.457 0.591 101 HB2 ALA 17 1HB ALA 17 3.562 -4.783 1.970 102 HB3 ALA 17 2HB ALA 17 5.269 -5.226 2.035 103 HA PRO 18 HA PRO 18 4.035 -4.732 4.239 104 HB2 PRO 18 1HB PRO 18 4.087 -4.803 6.906 105 HB3 PRO 18 2HB PRO 18 5.049 -5.917 5.929 106 HG2 PRO 18 1HG PRO 18 5.892 -3.401 7.323 107 HG3 PRO 18 2HG PRO 18 6.713 -4.972 7.263 108 HD2 PRO 18 1HD PRO 18 7.411 -2.870 5.678 109 HD3 PRO 18 2HD PRO 18 7.619 -4.564 5.200 110 H ALA 19 H ALA 19 4.985 -1.561 4.977 111 HA ALA 19 HA ALA 19 2.870 -0.716 6.636 112 HB1 ALA 19 3HB ALA 19 4.418 0.906 6.733 113 HB2 ALA 19 1HB ALA 19 3.586 1.551 5.319 114 HB3 ALA 19 2HB ALA 19 5.031 0.559 5.118 115 H CYS 20 H CYS 20 3.435 -0.227 3.202 116 HA CYS 20 HA CYS 20 2.137 0.197 1.475 117 HB2 CYS 20 1HB CYS 20 0.077 -1.434 2.930 118 HB3 CYS 20 2HB CYS 20 0.253 -1.204 1.206 119 H ARG 21 H ARG 21 2.128 2.318 3.155 120 HA ARG 21 HA ARG 21 -0.443 3.151 4.018 121 HE ARG 21 HE ARG 21 3.431 6.687 5.502 122 HB2 ARG 21 1HB ARG 21 2.059 4.738 3.426 123 HB3 ARG 21 2HB ARG 21 0.584 5.464 4.038 124 HG2 ARG 21 1HG ARG 21 0.804 3.671 5.914 125 HG3 ARG 21 2HG ARG 21 2.492 3.626 5.403 126 HD2 ARG 21 1HD ARG 21 1.215 6.271 5.891 127 HD3 ARG 21 2HD ARG 21 1.669 5.283 7.280 128 HH11 ARG 21 1HH1 ARG 21 3.159 3.988 7.697 129 HH12 ARG 21 2HH1 ARG 21 4.857 3.924 8.028 130 HH21 ARG 21 1HH2 ARG 21 5.665 6.605 5.936 131 HH22 ARG 21 2HH2 ARG 21 6.281 5.411 7.029 132 H LEU 22 H LEU 22 -1.870 4.606 3.141 133 HA LEU 22 HA LEU 22 -2.674 4.305 0.577 134 HG LEU 22 HG LEU 22 -4.349 4.197 2.440 135 HB2 LEU 22 1HB LEU 22 -3.055 6.538 2.523 136 HB3 LEU 22 2HB LEU 22 -3.722 6.661 0.906 137 HD11 LEU 22 1HD1 LEU 22 -6.022 6.606 2.950 138 HD12 LEU 22 2HD1 LEU 22 -4.571 6.350 3.918 139 HD13 LEU 22 3HD1 LEU 22 -5.846 5.132 3.901 140 HD21 LEU 22 3HD2 LEU 22 -6.113 4.067 1.032 141 HD22 LEU 22 1HD2 LEU 22 -5.104 5.116 0.036 142 HD23 LEU 22 2HD2 LEU 22 -6.383 5.809 1.033 143 H SER 23 H SER 23 -0.837 7.045 1.800 144 HA SER 23 HA SER 23 -0.451 8.371 -0.614 145 HG SER 23 HG SER 23 1.163 7.980 2.788 146 HB2 SER 23 1HB SER 23 1.418 9.508 0.482 147 HB3 SER 23 2HB SER 23 0.056 9.353 1.590 148 H CYS 24 H CYS 24 1.136 5.536 0.624 149 HA CYS 24 HA CYS 24 3.233 5.722 -1.377 150 HB2 CYS 24 1HB CYS 24 3.731 4.998 1.015 151 HB3 CYS 24 2HB CYS 24 2.835 3.524 0.668 152 H CYS 25 H CYS 25 0.529 3.523 -0.566 153 HA CYS 25 HA CYS 25 1.081 1.679 -2.570 154 HB2 CYS 25 1HB CYS 25 -1.423 2.440 -1.134 155 HB3 CYS 25 2HB CYS 25 -1.469 1.263 -2.433 156 H SER 26 H SER 26 -1.442 4.158 -2.747 157 HA SER 26 HA SER 26 -1.592 3.889 -5.579 158 HG SER 26 HG SER 26 -3.794 6.505 -3.411 159 HB2 SER 26 1HB SER 26 -3.344 5.510 -5.497 160 HB3 SER 26 2HB SER 26 -3.538 4.391 -4.147 161 H LEU 27 H LEU 27 -0.629 6.518 -3.475 162 HA LEU 27 HA LEU 27 0.585 7.933 -5.712 163 HG LEU 27 HG LEU 27 1.907 10.068 -4.568 164 HB2 LEU 27 1HB LEU 27 -0.851 9.058 -3.972 165 HB3 LEU 27 2HB LEU 27 0.444 8.780 -2.822 166 HD11 LEU 27 1HD1 LEU 27 0.212 11.927 -5.457 167 HD12 LEU 27 2HD1 LEU 27 -0.860 10.527 -5.506 168 HD13 LEU 27 3HD1 LEU 27 0.657 10.508 -6.405 169 HD21 LEU 27 3HD2 LEU 27 1.649 10.984 -2.430 170 HD22 LEU 27 1HD2 LEU 27 -0.082 11.242 -2.651 171 HD23 LEU 27 2HD2 LEU 27 1.078 12.247 -3.519 172 H GLY 28 H GLY 28 1.881 5.518 -5.046 173 HA2 GLY 28 1HA GLY 28 4.546 6.506 -4.651 174 HA3 GLY 28 2HA GLY 28 3.969 5.573 -3.276 Start of MODEL 9 1 HA ALA 1 HA ALA 1 6.350 -12.279 1.492 2 H1 ALA 1 1H ALA 1 5.342 -13.818 3.170 3 H2 ALA 1 2H ALA 1 3.834 -13.415 2.456 4 H3 ALA 1 3H ALA 1 4.814 -12.187 3.148 5 HB1 ALA 1 3HB ALA 1 5.300 -15.020 1.137 6 HB2 ALA 1 1HB ALA 1 6.959 -14.422 1.087 7 HB3 ALA 1 2HB ALA 1 5.900 -14.204 -0.306 8 H GLN 2 H GLN 2 5.930 -12.364 -1.090 9 HA GLN 2 HA GLN 2 4.852 -11.236 -2.816 10 HB2 GLN 2 1HB GLN 2 3.188 -13.229 -1.806 11 HB3 GLN 2 2HB GLN 2 2.141 -11.827 -1.973 12 HG2 GLN 2 1HG GLN 2 3.932 -12.542 -4.235 13 HG3 GLN 2 2HG GLN 2 2.501 -13.528 -3.945 14 HE21 GLN 2 1HE2 GLN 2 0.633 -12.855 -4.748 15 HE22 GLN 2 2HE2 GLN 2 0.321 -11.283 -5.391 16 H ASN 3 H ASN 3 3.136 -9.595 -3.345 17 HA ASN 3 HA ASN 3 3.084 -7.591 -1.216 18 HB2 ASN 3 1HB ASN 3 4.141 -6.827 -3.216 19 HB3 ASN 3 2HB ASN 3 2.820 -7.419 -4.207 20 HD21 ASN 3 1HD2 ASN 3 2.254 -5.621 -5.117 21 HD22 ASN 3 2HD2 ASN 3 1.607 -4.237 -4.300 22 HA PRO 4 HA PRO 4 -1.353 -9.081 -1.505 23 HB2 PRO 4 1HB PRO 4 -1.922 -8.759 1.142 24 HB3 PRO 4 2HB PRO 4 -1.241 -10.245 0.466 25 HG2 PRO 4 1HG PRO 4 0.159 -7.974 1.841 26 HG3 PRO 4 2HG PRO 4 0.377 -9.722 2.064 27 HD2 PRO 4 1HD PRO 4 2.067 -8.274 0.598 28 HD3 PRO 4 2HD PRO 4 1.641 -9.933 0.136 29 H CYS 5 H CYS 5 0.214 -6.255 -0.416 30 HA CYS 5 HA CYS 5 -1.993 -4.691 0.292 31 HB2 CYS 5 1HB CYS 5 0.629 -3.739 -0.872 32 HB3 CYS 5 2HB CYS 5 -0.485 -2.838 0.143 33 H SER 6 H SER 6 -0.614 -5.526 -2.784 34 HA SER 6 HA SER 6 -1.807 -3.533 -4.378 35 HG SER 6 HG SER 6 0.593 -5.104 -6.276 36 HB2 SER 6 1HB SER 6 -0.731 -6.269 -4.912 37 HB3 SER 6 2HB SER 6 -1.739 -5.513 -6.142 38 H LEU 7 H LEU 7 -2.897 -6.633 -3.228 39 HA LEU 7 HA LEU 7 -5.375 -6.751 -4.606 40 HG LEU 7 HG LEU 7 -5.908 -10.022 -3.029 41 HB2 LEU 7 1HB LEU 7 -3.937 -8.513 -3.166 42 HB3 LEU 7 2HB LEU 7 -5.099 -8.044 -1.959 43 HD11 LEU 7 1HD1 LEU 7 -8.046 -9.265 -3.909 44 HD12 LEU 7 2HD1 LEU 7 -7.404 -7.634 -4.100 45 HD13 LEU 7 3HD1 LEU 7 -7.585 -8.327 -2.488 46 HD21 LEU 7 3HD2 LEU 7 -5.841 -8.612 -5.683 47 HD22 LEU 7 1HD2 LEU 7 -6.124 -10.322 -5.355 48 HD23 LEU 7 2HD2 LEU 7 -4.518 -9.633 -5.117 49 H GLN 8 H GLN 8 -4.266 -5.420 -1.629 50 HA GLN 8 HA GLN 8 -6.912 -4.797 -0.630 51 HB2 GLN 8 1HB GLN 8 -4.353 -3.670 0.478 52 HB3 GLN 8 2HB GLN 8 -5.858 -4.005 1.320 53 HG2 GLN 8 1HG GLN 8 -5.163 -6.493 0.483 54 HG3 GLN 8 2HG GLN 8 -3.579 -5.757 0.751 55 HE21 GLN 8 1HE2 GLN 8 -3.084 -4.956 2.837 56 HE22 GLN 8 2HE2 GLN 8 -3.896 -5.564 4.236 57 H GLN 9 H GLN 9 -4.319 -3.176 -2.300 58 HA GLN 9 HA GLN 9 -6.050 -0.891 -2.800 59 HB2 GLN 9 1HB GLN 9 -3.298 -0.707 -1.579 60 HB3 GLN 9 2HB GLN 9 -4.095 0.654 -2.357 61 HG2 GLN 9 1HG GLN 9 -5.032 1.135 -0.411 62 HG3 GLN 9 2HG GLN 9 -5.965 -0.351 -0.553 63 HE21 GLN 9 1HE2 GLN 9 -2.982 1.027 0.748 64 HE22 GLN 9 2HE2 GLN 9 -2.766 -0.166 1.978 65 HA PRO 10 HA PRO 10 -4.418 -2.307 -6.825 66 HB2 PRO 10 1HB PRO 10 -5.808 0.260 -7.492 67 HB3 PRO 10 2HB PRO 10 -5.823 -1.283 -8.356 68 HG2 PRO 10 1HG PRO 10 -7.880 -0.585 -6.830 69 HG3 PRO 10 2HG PRO 10 -7.300 -2.260 -6.852 70 HD2 PRO 10 1HD PRO 10 -6.979 -0.170 -4.764 71 HD3 PRO 10 2HD PRO 10 -7.107 -1.934 -4.590 72 H GLY 11 H GLY 11 -2.657 -1.766 -7.980 73 HA2 GLY 11 1HA GLY 11 -0.846 -0.541 -8.765 74 HA3 GLY 11 2HA GLY 11 -1.614 0.895 -8.129 75 H CYS 12 H CYS 12 -1.579 -0.719 -5.397 76 HA CYS 12 HA CYS 12 0.505 0.632 -4.229 77 HB2 CYS 12 1HB CYS 12 -1.272 -0.522 -3.012 78 HB3 CYS 12 2HB CYS 12 -0.539 -2.051 -3.433 79 H SER 13 H SER 13 2.490 0.563 -4.510 80 HA SER 13 HA SER 13 4.037 -1.346 -5.825 81 HG SER 13 HG SER 13 6.731 0.076 -3.963 82 HB2 SER 13 1HB SER 13 4.850 0.891 -5.692 83 HB3 SER 13 2HB SER 13 4.800 0.873 -3.935 84 H SER 14 H SER 14 5.074 -3.149 -5.150 85 HA SER 14 HA SER 14 4.420 -4.380 -2.689 86 HG SER 14 HG SER 14 7.146 -5.938 -2.577 87 HB2 SER 14 1HB SER 14 5.214 -5.681 -4.623 88 HB3 SER 14 2HB SER 14 6.788 -4.892 -4.488 89 H ALA 15 H ALA 15 7.009 -2.331 -3.722 90 HA ALA 15 HA ALA 15 8.767 -2.637 -1.562 91 HB1 ALA 15 3HB ALA 15 9.943 -1.541 -3.122 92 HB2 ALA 15 1HB ALA 15 9.222 -0.081 -2.442 93 HB3 ALA 15 2HB ALA 15 8.496 -0.848 -3.855 94 H CYS 16 H CYS 16 5.711 -1.233 -1.731 95 HA CYS 16 HA CYS 16 6.182 0.764 0.321 96 HB2 CYS 16 1HB CYS 16 3.663 -0.295 -0.975 97 HB3 CYS 16 2HB CYS 16 3.617 0.817 0.381 98 H ALA 17 H ALA 17 5.494 -2.589 0.109 99 HA ALA 17 HA ALA 17 4.262 -2.878 2.677 100 HB1 ALA 17 3HB ALA 17 4.890 -4.578 0.479 101 HB2 ALA 17 1HB ALA 17 3.813 -4.894 1.840 102 HB3 ALA 17 2HB ALA 17 5.525 -5.308 1.952 103 HA PRO 18 HA PRO 18 4.340 -4.835 4.123 104 HB2 PRO 18 1HB PRO 18 4.430 -4.883 6.790 105 HB3 PRO 18 2HB PRO 18 5.414 -5.971 5.806 106 HG2 PRO 18 1HG PRO 18 6.192 -3.421 7.173 107 HG3 PRO 18 2HG PRO 18 7.063 -4.962 7.110 108 HD2 PRO 18 1HD PRO 18 7.668 -2.847 5.504 109 HD3 PRO 18 2HD PRO 18 7.928 -4.535 5.033 110 H ALA 19 H ALA 19 5.185 -1.624 4.834 111 HA ALA 19 HA ALA 19 3.059 -0.852 6.513 112 HB1 ALA 19 3HB ALA 19 3.703 1.430 5.151 113 HB2 ALA 19 1HB ALA 19 5.185 0.481 5.017 114 HB3 ALA 19 2HB ALA 19 4.511 0.845 6.605 115 H CYS 20 H CYS 20 3.569 -0.300 3.078 116 HA CYS 20 HA CYS 20 2.238 0.103 1.376 117 HB2 CYS 20 1HB CYS 20 0.271 -1.662 2.804 118 HB3 CYS 20 2HB CYS 20 0.414 -1.371 1.086 119 H ARG 21 H ARG 21 2.156 2.177 3.096 120 HA ARG 21 HA ARG 21 -0.441 2.892 3.996 121 HE ARG 21 HE ARG 21 1.737 4.288 7.989 122 HB2 ARG 21 1HB ARG 21 2.015 4.563 3.446 123 HB3 ARG 21 2HB ARG 21 0.509 5.255 4.020 124 HG2 ARG 21 1HG ARG 21 0.640 3.686 5.973 125 HG3 ARG 21 2HG ARG 21 2.271 3.276 5.437 126 HD2 ARG 21 1HD ARG 21 3.008 5.529 5.726 127 HD3 ARG 21 2HD ARG 21 1.361 6.088 6.016 128 HH11 ARG 21 1HH1 ARG 21 3.612 7.022 6.894 129 HH12 ARG 21 2HH1 ARG 21 4.268 7.357 8.460 130 HH21 ARG 21 1HH2 ARG 21 2.600 4.729 10.049 131 HH22 ARG 21 2HH2 ARG 21 3.694 6.055 10.253 132 H LEU 22 H LEU 22 -1.903 4.353 3.172 133 HA LEU 22 HA LEU 22 -2.742 4.065 0.612 134 HG LEU 22 HG LEU 22 -4.425 5.773 -0.216 135 HB2 LEU 22 1HB LEU 22 -4.159 5.063 2.301 136 HB3 LEU 22 2HB LEU 22 -3.119 6.474 2.380 137 HD11 LEU 22 1HD1 LEU 22 -6.208 5.674 1.474 138 HD12 LEU 22 2HD1 LEU 22 -6.392 7.047 0.383 139 HD13 LEU 22 3HD1 LEU 22 -5.767 7.294 2.013 140 HD21 LEU 22 3HD2 LEU 22 -3.204 8.145 1.088 141 HD22 LEU 22 1HD2 LEU 22 -4.517 8.414 -0.060 142 HD23 LEU 22 2HD2 LEU 22 -3.059 7.563 -0.570 143 H SER 23 H SER 23 -0.944 6.828 1.835 144 HA SER 23 HA SER 23 -0.602 8.177 -0.574 145 HG SER 23 HG SER 23 0.439 10.540 1.470 146 HB2 SER 23 1HB SER 23 0.782 8.177 2.053 147 HB3 SER 23 2HB SER 23 1.641 8.912 0.700 148 H CYS 24 H CYS 24 1.051 5.365 0.627 149 HA CYS 24 HA CYS 24 3.134 5.613 -1.384 150 HB2 CYS 24 1HB CYS 24 3.653 4.870 1.001 151 HB3 CYS 24 2HB CYS 24 2.788 3.383 0.634 152 H CYS 25 H CYS 25 0.460 3.382 -0.586 153 HA CYS 25 HA CYS 25 1.028 1.543 -2.590 154 HB2 CYS 25 1HB CYS 25 -1.486 2.289 -1.163 155 HB3 CYS 25 2HB CYS 25 -1.518 1.107 -2.459 156 H SER 26 H SER 26 -1.512 4.005 -2.769 157 HA SER 26 HA SER 26 -1.646 3.747 -5.605 158 HG SER 26 HG SER 26 -2.940 5.778 -2.780 159 HB2 SER 26 1HB SER 26 -3.412 5.354 -5.525 160 HB3 SER 26 2HB SER 26 -3.603 4.231 -4.177 161 H LEU 27 H LEU 27 -0.713 6.369 -3.479 162 HA LEU 27 HA LEU 27 0.508 7.806 -5.698 163 HG LEU 27 HG LEU 27 1.805 9.920 -4.561 164 HB2 LEU 27 1HB LEU 27 -0.947 8.922 -3.981 165 HB3 LEU 27 2HB LEU 27 0.315 8.625 -2.802 166 HD11 LEU 27 1HD1 LEU 27 0.754 11.358 -5.987 167 HD12 LEU 27 2HD1 LEU 27 -0.716 11.426 -5.014 168 HD13 LEU 27 3HD1 LEU 27 -0.388 10.014 -6.018 169 HD21 LEU 27 3HD2 LEU 27 1.782 11.624 -3.077 170 HD22 LEU 27 1HD2 LEU 27 0.815 10.492 -2.133 171 HD23 LEU 27 2HD2 LEU 27 0.022 11.749 -3.083 172 H GLY 28 H GLY 28 1.826 5.407 -5.062 173 HA2 GLY 28 1HA GLY 28 4.475 6.410 -4.628 174 HA3 GLY 28 2HA GLY 28 3.896 5.462 -3.265 Start of MODEL 10 1 HA ALA 1 HA ALA 1 7.687 -12.758 -0.258 2 H1 ALA 1 1H ALA 1 9.123 -11.031 -0.523 3 H2 ALA 1 2H ALA 1 9.177 -11.354 1.161 4 H3 ALA 1 3H ALA 1 8.279 -10.017 0.570 5 HB1 ALA 1 3HB ALA 1 6.989 -11.383 2.296 6 HB2 ALA 1 1HB ALA 1 7.431 -13.066 2.008 7 HB3 ALA 1 2HB ALA 1 5.829 -12.485 1.553 8 H GLN 2 H GLN 2 5.424 -12.912 -0.911 9 HA GLN 2 HA GLN 2 4.641 -11.262 -2.881 10 HB2 GLN 2 1HB GLN 2 2.388 -12.092 -2.678 11 HB3 GLN 2 2HB GLN 2 3.508 -13.364 -2.283 12 HG2 GLN 2 1HG GLN 2 2.568 -13.658 -0.294 13 HG3 GLN 2 2HG GLN 2 2.772 -11.951 0.100 14 HE21 GLN 2 1HE2 GLN 2 0.555 -14.223 0.073 15 HE22 GLN 2 2HE2 GLN 2 -0.853 -13.323 -0.366 16 H ASN 3 H ASN 3 3.244 -9.562 -3.196 17 HA ASN 3 HA ASN 3 3.122 -7.676 -0.965 18 HB2 ASN 3 1HB ASN 3 4.205 -6.729 -2.823 19 HB3 ASN 3 2HB ASN 3 3.023 -7.376 -3.950 20 HD21 ASN 3 1HD2 ASN 3 2.573 -5.497 -4.855 21 HD22 ASN 3 2HD2 ASN 3 1.710 -4.216 -4.072 22 HA PRO 4 HA PRO 4 -1.298 -9.133 -1.344 23 HB2 PRO 4 1HB PRO 4 -1.939 -8.768 1.278 24 HB3 PRO 4 2HB PRO 4 -1.221 -10.257 0.651 25 HG2 PRO 4 1HG PRO 4 0.114 -7.940 2.013 26 HG3 PRO 4 2HG PRO 4 0.345 -9.680 2.282 27 HD2 PRO 4 1HD PRO 4 2.057 -8.247 0.831 28 HD3 PRO 4 2HD PRO 4 1.661 -9.922 0.393 29 H CYS 5 H CYS 5 0.210 -6.268 -0.272 30 HA CYS 5 HA CYS 5 -2.016 -4.709 0.361 31 HB2 CYS 5 1HB CYS 5 0.598 -3.760 -0.825 32 HB3 CYS 5 2HB CYS 5 -0.530 -2.842 0.157 33 H SER 6 H SER 6 -0.615 -5.631 -2.677 34 HA SER 6 HA SER 6 -1.813 -3.712 -4.352 35 HG SER 6 HG SER 6 0.740 -5.457 -5.920 36 HB2 SER 6 1HB SER 6 -0.805 -6.506 -4.789 37 HB3 SER 6 2HB SER 6 -1.676 -5.671 -6.074 38 H LEU 7 H LEU 7 -2.886 -6.780 -3.099 39 HA LEU 7 HA LEU 7 -5.362 -6.962 -4.476 40 HG LEU 7 HG LEU 7 -6.008 -9.134 -4.469 41 HB2 LEU 7 1HB LEU 7 -3.910 -8.666 -2.980 42 HB3 LEU 7 2HB LEU 7 -5.079 -8.170 -1.792 43 HD11 LEU 7 1HD1 LEU 7 -4.806 -10.748 -2.286 44 HD12 LEU 7 2HD1 LEU 7 -4.796 -11.011 -4.030 45 HD13 LEU 7 3HD1 LEU 7 -6.243 -11.379 -3.091 46 HD21 LEU 7 3HD2 LEU 7 -7.378 -9.797 -1.942 47 HD22 LEU 7 1HD2 LEU 7 -8.039 -9.281 -3.493 48 HD23 LEU 7 2HD2 LEU 7 -7.352 -8.091 -2.389 49 H GLN 8 H GLN 8 -4.263 -5.527 -1.547 50 HA GLN 8 HA GLN 8 -6.906 -4.898 -0.550 51 HB2 GLN 8 1HB GLN 8 -4.335 -3.727 0.488 52 HB3 GLN 8 2HB GLN 8 -5.834 -4.013 1.357 53 HG2 GLN 8 1HG GLN 8 -5.161 -6.538 0.607 54 HG3 GLN 8 2HG GLN 8 -3.574 -5.803 0.846 55 HE21 GLN 8 1HE2 GLN 8 -4.924 -7.880 2.382 56 HE22 GLN 8 2HE2 GLN 8 -5.020 -7.290 4.004 57 H GLN 9 H GLN 9 -4.360 -3.303 -2.319 58 HA GLN 9 HA GLN 9 -6.126 -1.072 -2.855 59 HB2 GLN 9 1HB GLN 9 -3.343 -0.793 -1.720 60 HB3 GLN 9 2HB GLN 9 -4.195 0.526 -2.511 61 HG2 GLN 9 1HG GLN 9 -5.078 1.047 -0.551 62 HG3 GLN 9 2HG GLN 9 -5.983 -0.462 -0.616 63 HE21 GLN 9 1HE2 GLN 9 -2.988 1.017 0.542 64 HE22 GLN 9 2HE2 GLN 9 -2.707 -0.132 1.799 65 HA PRO 10 HA PRO 10 -4.430 -1.982 -6.871 66 HB2 PRO 10 1HB PRO 10 -5.412 0.137 -8.243 67 HB3 PRO 10 2HB PRO 10 -6.416 -1.226 -7.735 68 HG2 PRO 10 1HG PRO 10 -6.099 1.469 -6.474 69 HG3 PRO 10 2HG PRO 10 -7.575 0.521 -6.734 70 HD2 PRO 10 1HD PRO 10 -6.299 0.639 -4.342 71 HD3 PRO 10 2HD PRO 10 -7.212 -0.787 -4.876 72 H GLY 11 H GLY 11 -2.652 -1.530 -8.020 73 HA2 GLY 11 1HA GLY 11 -0.775 -0.407 -8.803 74 HA3 GLY 11 2HA GLY 11 -1.486 1.071 -8.199 75 H CYS 12 H CYS 12 -1.516 -0.578 -5.453 76 HA CYS 12 HA CYS 12 0.569 0.746 -4.259 77 HB2 CYS 12 1HB CYS 12 -1.226 -0.408 -3.066 78 HB3 CYS 12 2HB CYS 12 -0.500 -1.938 -3.497 79 H SER 13 H SER 13 2.555 0.665 -4.528 80 HA SER 13 HA SER 13 4.093 -1.250 -5.851 81 HG SER 13 HG SER 13 6.625 -0.332 -3.885 82 HB2 SER 13 1HB SER 13 4.925 0.983 -5.684 83 HB3 SER 13 2HB SER 13 4.873 0.936 -3.927 84 H SER 14 H SER 14 5.077 -3.088 -5.177 85 HA SER 14 HA SER 14 4.382 -4.301 -2.730 86 HG SER 14 HG SER 14 5.462 -5.351 -5.898 87 HB2 SER 14 1HB SER 14 6.836 -4.905 -4.370 88 HB3 SER 14 2HB SER 14 5.976 -6.003 -3.294 89 H ALA 15 H ALA 15 7.009 -2.287 -3.719 90 HA ALA 15 HA ALA 15 8.752 -2.649 -1.556 91 HB1 ALA 15 3HB ALA 15 9.973 -1.533 -3.057 92 HB2 ALA 15 1HB ALA 15 9.215 -0.072 -2.421 93 HB3 ALA 15 2HB ALA 15 8.542 -0.867 -3.845 94 H CYS 16 H CYS 16 5.720 -1.186 -1.709 95 HA CYS 16 HA CYS 16 6.217 0.777 0.363 96 HB2 CYS 16 1HB CYS 16 3.683 -0.239 -0.940 97 HB3 CYS 16 2HB CYS 16 3.660 0.879 0.414 98 H ALA 17 H ALA 17 5.477 -2.566 0.113 99 HA ALA 17 HA ALA 17 4.234 -2.859 2.675 100 HB1 ALA 17 3HB ALA 17 3.769 -4.872 1.842 101 HB2 ALA 17 1HB ALA 17 5.481 -5.296 1.915 102 HB3 ALA 17 2HB ALA 17 4.820 -4.543 0.464 103 HA PRO 18 HA PRO 18 4.278 -4.823 4.111 104 HB2 PRO 18 1HB PRO 18 4.356 -4.879 6.779 105 HB3 PRO 18 2HB PRO 18 5.326 -5.981 5.797 106 HG2 PRO 18 1HG PRO 18 6.141 -3.446 7.172 107 HG3 PRO 18 2HG PRO 18 6.987 -5.003 7.109 108 HD2 PRO 18 1HD PRO 18 7.633 -2.894 5.510 109 HD3 PRO 18 2HD PRO 18 7.865 -4.585 5.034 110 H ALA 19 H ALA 19 5.168 -1.627 4.836 111 HA ALA 19 HA ALA 19 3.043 -0.831 6.507 112 HB1 ALA 19 3HB ALA 19 3.726 1.446 5.151 113 HB2 ALA 19 1HB ALA 19 5.195 0.476 5.032 114 HB3 ALA 19 2HB ALA 19 4.511 0.850 6.613 115 H CYS 20 H CYS 20 3.577 -0.267 3.077 116 HA CYS 20 HA CYS 20 2.261 0.158 1.371 117 HB2 CYS 20 1HB CYS 20 0.269 -1.596 2.777 118 HB3 CYS 20 2HB CYS 20 0.424 -1.298 1.060 119 H ARG 21 H ARG 21 2.184 2.227 3.100 120 HA ARG 21 HA ARG 21 -0.413 2.959 3.984 121 HE ARG 21 HE ARG 21 2.006 6.714 6.952 122 HB2 ARG 21 1HB ARG 21 2.061 4.611 3.461 123 HB3 ARG 21 2HB ARG 21 0.554 5.316 4.018 124 HG2 ARG 21 1HG ARG 21 0.664 4.240 6.080 125 HG3 ARG 21 2HG ARG 21 1.846 3.062 5.509 126 HD2 ARG 21 1HD ARG 21 3.495 4.363 6.228 127 HD3 ARG 21 2HD ARG 21 2.952 5.652 5.154 128 HH11 ARG 21 1HH1 ARG 21 2.816 3.442 7.857 129 HH12 ARG 21 2HH1 ARG 21 2.489 3.694 9.538 130 HH21 ARG 21 1HH2 ARG 21 1.576 7.047 9.163 131 HH22 ARG 21 2HH2 ARG 21 1.785 5.740 10.280 132 H LEU 22 H LEU 22 -1.860 4.429 3.153 133 HA LEU 22 HA LEU 22 -2.679 4.162 0.583 134 HG LEU 22 HG LEU 22 -3.653 7.106 0.005 135 HB2 LEU 22 1HB LEU 22 -4.100 5.161 2.271 136 HB3 LEU 22 2HB LEU 22 -3.054 6.567 2.357 137 HD11 LEU 22 1HD1 LEU 22 -5.128 4.563 0.297 138 HD12 LEU 22 2HD1 LEU 22 -4.373 5.283 -1.124 139 HD13 LEU 22 3HD1 LEU 22 -5.945 5.861 -0.573 140 HD21 LEU 22 3HD2 LEU 22 -5.897 6.870 2.002 141 HD22 LEU 22 1HD2 LEU 22 -5.981 7.819 0.519 142 HD23 LEU 22 2HD2 LEU 22 -4.811 8.240 1.770 143 H SER 23 H SER 23 -0.867 6.901 1.842 144 HA SER 23 HA SER 23 -0.495 8.266 -0.552 145 HG SER 23 HG SER 23 1.798 9.595 -0.288 146 HB2 SER 23 1HB SER 23 0.048 8.995 1.864 147 HB3 SER 23 2HB SER 23 1.609 8.220 1.597 148 H CYS 24 H CYS 24 1.126 5.431 0.637 149 HA CYS 24 HA CYS 24 3.224 5.676 -1.357 150 HB2 CYS 24 1HB CYS 24 3.720 4.911 1.027 151 HB3 CYS 24 2HB CYS 24 2.845 3.433 0.642 152 H CYS 25 H CYS 25 0.524 3.462 -0.594 153 HA CYS 25 HA CYS 25 1.092 1.635 -2.608 154 HB2 CYS 25 1HB CYS 25 -1.426 2.388 -1.194 155 HB3 CYS 25 2HB CYS 25 -1.458 1.219 -2.500 156 H SER 26 H SER 26 -1.420 4.126 -2.790 157 HA SER 26 HA SER 26 -1.549 3.869 -5.625 158 HG SER 26 HG SER 26 -2.835 7.077 -4.181 159 HB2 SER 26 1HB SER 26 -3.289 5.507 -5.548 160 HB3 SER 26 2HB SER 26 -3.502 4.378 -4.209 161 H LEU 27 H LEU 27 -0.265 6.256 -3.436 162 HA LEU 27 HA LEU 27 0.911 7.693 -5.715 163 HG LEU 27 HG LEU 27 2.214 9.823 -4.602 164 HB2 LEU 27 1HB LEU 27 -0.596 8.933 -4.156 165 HB3 LEU 27 2HB LEU 27 0.568 8.653 -2.875 166 HD11 LEU 27 1HD1 LEU 27 1.225 11.423 -5.995 167 HD12 LEU 27 2HD1 LEU 27 -0.357 11.233 -5.238 168 HD13 LEU 27 3HD1 LEU 27 0.287 9.955 -6.268 169 HD21 LEU 27 3HD2 LEU 27 1.599 12.005 -3.512 170 HD22 LEU 27 1HD2 LEU 27 1.901 10.666 -2.406 171 HD23 LEU 27 2HD2 LEU 27 0.246 11.161 -2.759 172 H GLY 28 H GLY 28 2.218 5.363 -5.034 173 HA2 GLY 28 1HA GLY 28 4.817 6.408 -4.352 174 HA3 GLY 28 2HA GLY 28 4.163 5.328 -3.129
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