NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
598075 | 2mx7 | 25395 | cing | 1-original | 2 | XEASY | peak |
# Number of dimensions 2 #INAME 1 proton1 #INAME 2 proton2 1 6.411 0.493 5 U 208.81 0.00E+00 m 0 0 0 0 0 2 6.411 -0.177 5 U 350.53 0.00E+00 m 0 0 0 0 0 4 6.408 1.709 5 U 332.22 0.00E+00 m 0 0 0 0 0 6 6.410 3.055 5 U 321.44 0.00E+00 m 0 0 0 0 0 9 6.410 6.815 5 U 2191.39 0.00E+00 m 0 0 0 0 0 11 6.488 0.367 5 U 1628.61 0.00E+00 m 0 0 0 0 0 13 6.506 2.784 5 U 895.00 0.00E+00 m 0 0 0 0 0 14 6.509 2.879 5 U 835.28 0.00E+00 m 0 0 0 0 0 17 6.510 3.826 5 U 1125.24 0.00E+00 m 0 0 0 0 0 19 6.578 4.112 5 U 351.37 0.00E+00 m 0 0 0 0 0 20 6.492 4.164 5 U 1105.60 0.00E+00 m 0 0 0 0 0 23 6.511 6.105 5 U 3441.54 0.00E+00 m 0 0 0 0 0 24 6.539 6.796 5 U 4306.37 0.00E+00 m 0 0 0 0 0 26 6.578 8.165 5 U 301.14 0.00E+00 m 0 0 0 0 0 27 6.670 7.865 5 U 554.09 0.00E+00 m 0 0 0 0 0 28 6.739 7.670 5 U 711.11 0.00E+00 m 0 0 0 0 0 31 6.659 7.109 5 U 2565.55 0.00E+00 m 0 0 0 0 0 32 6.660 6.907 5 U 1947.38 0.00E+00 m 0 0 0 0 0 34 6.577 1.762 5 U 635.42 0.00E+00 m 0 0 0 0 0 38 6.660 0.626 5 U 1130.92 0.00E+00 m 0 0 0 0 0 39 6.660 0.824 5 U 949.16 0.00E+00 m 0 0 0 0 0 40 6.578 0.353 5 U 1183.99 0.00E+00 m 0 0 0 0 0 41 6.659 0.090 5 U 399.77 0.00E+00 m 0 0 0 0 0 42 6.826 -0.176 5 U 361.06 0.00E+00 m 0 0 0 0 0 43 6.911 0.088 5 U 251.77 0.00E+00 m 0 0 0 0 0 44 6.835 0.384 5 U 212.98 0.00E+00 m 0 0 0 0 0 45 6.822 0.481 5 U 221.50 0.00E+00 m 0 0 0 0 0 46 6.833 0.690 5 U 285.87 0.00E+00 m 0 0 0 0 0 48 6.941 0.491 5 U 369.26 0.00E+00 m 0 0 0 0 0 50 6.937 0.987 5 U 501.40 0.00E+00 m 0 0 0 0 0 52 6.827 0.891 5 U 347.04 0.00E+00 m 0 0 0 0 0 53 6.819 1.713 5 U 326.85 0.00E+00 m 0 0 0 0 0 54 6.940 1.766 5 U 1039.80 0.00E+00 m 0 0 0 0 0 55 6.825 2.150 5 U 544.59 0.00E+00 m 0 0 0 0 0 57 6.804 2.758 5 U 500.30 0.00E+00 m 0 0 0 0 0 58 6.825 3.048 5 U 809.68 0.00E+00 m 0 0 0 0 0 60 6.817 4.007 5 U 869.46 0.00E+00 m 0 0 0 0 0 61 6.805 4.378 5 U 491.69 0.00E+00 m 0 0 0 0 0 62 6.824 6.400 5 U 2373.44 0.00E+00 m 0 0 0 0 0 63 6.803 6.537 5 U 4205.61 0.00E+00 m 0 0 0 0 0 64 6.915 6.651 5 U 2055.56 0.00E+00 m 0 0 0 0 0 65 6.894 7.459 5 U 404.01 0.00E+00 m 0 0 0 0 0 67 6.929 7.704 5 U 370.95 0.00E+00 m 0 0 0 0 0 68 6.953 7.822 5 U 1074.48 0.00E+00 m 0 0 0 0 0 69 6.934 8.180 5 U 275.02 0.00E+00 m 0 0 0 0 0 70 7.243 8.520 5 U 268.72 0.00E+00 m 0 0 0 0 0 72 7.258 8.144 5 U 1011.10 0.00E+00 m 0 0 0 0 0 75 7.196 7.339 5 U 4691.29 0.00E+00 m 0 0 0 0 0 77 7.266 7.612 5 U 726.85 0.00E+00 m 0 0 0 0 0 79 7.250 6.627 5 U 7860.42 0.00E+00 m 0 0 0 0 0 80 7.090 6.874 5 U 2449.44 0.00E+00 m 0 0 0 0 0 82 7.210 6.894 5 U 826.77 0.00E+00 m 0 0 0 0 0 83 7.268 6.942 5 U 1232.16 0.00E+00 m 0 0 0 0 0 84 7.115 6.649 5 U 2702.87 0.00E+00 m 0 0 0 0 0 85 7.276 6.476 5 U 2749.31 0.00E+00 m 0 0 0 0 0 87 7.118 4.053 5 U 529.14 0.00E+00 m 0 0 0 0 0 90 7.082 2.957 5 U 605.55 0.00E+00 m 0 0 0 0 0 91 7.119 2.827 5 U 402.50 0.00E+00 m 0 0 0 0 0 92 7.083 2.656 5 U 700.10 0.00E+00 m 0 0 0 0 0 95 7.119 2.018 5 U 310.10 0.00E+00 m 0 0 0 0 0 96 7.112 0.639 5 U 1405.38 0.00E+00 m 0 0 0 0 0 97 7.089 0.789 5 U 1290.14 0.00E+00 m 0 0 0 0 0 98 7.356 0.776 5 U 430.59 0.00E+00 m 0 0 0 0 0 99 7.198 0.779 5 U 952.59 0.00E+00 m 0 0 0 0 0 100 7.196 0.656 5 U 459.20 0.00E+00 m 0 0 0 0 0 101 7.268 0.348 5 U 523.70 0.00E+00 m 0 0 0 0 0 102 7.122 0.069 5 U 201.64 0.00E+00 m 0 0 0 0 0 103 7.356 4.218 5 U 735.29 0.00E+00 m 0 0 0 0 0 104 7.353 4.806 5 U 425.10 0.00E+00 m 0 0 0 0 0 105 7.486 6.701 5 U 2488.51 0.00E+00 m 0 0 0 0 0 106 7.470 6.882 5 U 436.74 0.00E+00 m 0 0 0 0 0 108 7.395 6.666 5 U 4530.84 0.00E+00 m 0 0 0 0 0 109 7.331 6.627 5 U 5470.32 0.00E+00 m 0 0 0 0 0 111 7.355 7.192 5 U 4512.42 0.00E+00 m 0 0 0 0 0 112 7.621 7.258 5 U 526.69 0.00E+00 m 0 0 0 0 0 113 7.429 7.591 5 U 2029.38 0.00E+00 m 0 0 0 0 0 114 7.528 7.917 5 U 786.89 0.00E+00 m 0 0 0 0 0 115 7.560 8.085 5 U 442.34 0.00E+00 m 0 0 0 0 0 116 7.587 8.272 5 U 500.33 0.00E+00 m 0 0 0 0 0 117 7.528 8.274 5 U 866.51 0.00E+00 m 0 0 0 0 0 118 7.337 8.315 5 U 292.11 0.00E+00 m 0 0 0 0 0 120 7.663 8.513 5 U 424.55 0.00E+00 m 0 0 0 0 0 121 7.769 8.732 5 U 375.91 0.00E+00 m 0 0 0 0 0 124 7.644 8.701 5 U 144.38 0.00E+00 m 0 0 0 0 0 125 7.835 8.275 5 U 746.83 0.00E+00 m 0 0 0 0 0 129 7.843 7.571 5 U 593.20 0.00E+00 m 0 0 0 0 0 131 7.702 7.418 5 U 885.69 0.00E+00 m 0 0 0 0 0 132 7.700 7.237 5 U 459.58 0.00E+00 m 0 0 0 0 0 133 7.832 6.938 5 U 1443.81 0.00E+00 m 0 0 0 0 0 134 7.715 6.919 5 U 417.57 0.00E+00 m 0 0 0 0 0 135 7.681 6.728 5 U 678.90 0.00E+00 m 0 0 0 0 0 137 8.172 6.569 5 U 299.38 0.00E+00 m 0 0 0 0 0 138 8.196 6.927 5 U 391.90 0.00E+00 m 0 0 0 0 0 139 8.196 7.163 5 U 283.15 0.00E+00 m 0 0 0 0 0 141 8.107 7.217 5 U 512.83 0.00E+00 m 0 0 0 0 0 142 8.034 6.349 5 U 244.46 0.00E+00 m 0 0 0 0 0 143 8.194 4.350 5 U 228.01 0.00E+00 m 0 0 0 0 0 144 8.323 7.321 5 U 267.05 0.00E+00 m 0 0 0 0 0 145 8.284 7.518 5 U 951.93 0.00E+00 m 0 0 0 0 0 146 8.280 7.694 5 U 427.50 0.00E+00 m 0 0 0 0 0 147 8.098 7.550 5 U 380.33 0.00E+00 m 0 0 0 0 0 148 8.285 7.825 5 U 757.06 0.00E+00 m 0 0 0 0 0 151 8.535 7.651 5 U 352.17 0.00E+00 m 0 0 0 0 0 152 8.497 7.999 5 U 266.89 0.00E+00 m 0 0 0 0 0 154 8.551 7.912 5 U 526.66 0.00E+00 m 0 0 0 0 0 155 8.537 7.234 5 U 239.64 0.00E+00 m 0 0 0 0 0 156 8.748 7.758 5 U 271.45 0.00E+00 m 0 0 0 0 0 157 8.750 8.490 5 U 177.93 0.00E+00 m 0 0 0 0 0 158 8.117 9.335 5 U 132.46 0.00E+00 m 0 0 0 0 0 159 6.114 6.501 5 U 4252.19 0.00E+00 m 0 0 0 0 0 162 8.011 8.491 5 U 246.03 0.00E+00 m 0 0 0 0 0 163 8.043 7.754 5 U 389.64 0.00E+00 m 0 0 0 0 0 164 8.044 7.653 5 U 438.62 0.00E+00 m 0 0 0 0 0 165 8.083 7.870 5 U 388.08 0.00E+00 m 0 0 0 0 0 166 7.081 4.696 5 U 492.01 0.00E+00 m 0 0 0 0 0 168 4.959 1.208 5 U 380.88 0.00E+00 m 0 0 0 0 0# Number of dimensions 3 #INAME 1 proton1 #INAME 2 hetero1 #INAME 3 proton2 67 6.359 112.784 6.814 5 U 14.959 0.00E+00 m 0 0 0 0 0 72 6.360 112.749 2.150 5 U 10.481 0.00E+00 m 0 0 0 0 0 73 6.359 112.776 3.054 5 U 11.279 0.00E+00 m 0 0 0 0 0 74 6.358 112.743 0.887 5 U 7.171 0.00E+00 m 0 0 0 0 0 75 6.358 112.747 -0.186 5 U 8.273 0.00E+00 m 0 0 0 0 0 77 7.611 104.796 1.207 5 U 8.843 0.00E+00 m 0 0 0 0 0 78 7.608 104.830 1.786 5 U 6.743 0.00E+00 m 0 0 0 0 0 80 7.606 104.860 2.365 5 U 4.809 0.00E+00 m 0 0 0 0 0 82 7.607 104.770 3.838 5 U 5.410 0.00E+00 m 0 0 0 0 0 83 7.608 104.812 4.372 5 U 38.462 0.00E+00 m 0 0 0 0 0 84 7.607 104.820 4.506 5 U 38.348 0.00E+00 m 0 0 0 0 0 85 7.607 104.805 4.945 5 U 11.577 0.00E+00 m 0 0 0 0 0 88 8.289 105.791 7.958 5 U 11.619 0.00E+00 m 0 0 0 0 0 89 8.288 105.786 7.826 5 U 48.242 0.00E+00 m 0 0 0 0 0 91 8.288 105.790 7.526 5 U 54.800 0.00E+00 m 0 0 0 0 0 93 8.288 105.802 6.959 5 U 10.215 0.00E+00 m 0 0 0 0 0 94 8.288 105.776 3.933 5 U 32.560 0.00E+00 m 0 0 0 0 0 95 8.288 105.781 3.754 5 U 104.008 0.00E+00 m 0 0 0 0 0 100 8.289 105.785 1.535 5 U 32.426 0.00E+00 m 0 0 0 0 0 102 8.288 105.785 1.227 5 U 24.408 0.00E+00 m 0 0 0 0 0 104 8.288 105.773 0.522 5 U 11.643 0.00E+00 m 0 0 0 0 0 106 7.701 107.747 8.529 5 U 6.568 0.00E+00 m 0 0 0 0 0 108 7.701 107.738 7.245 5 U 42.481 0.00E+00 m 0 0 0 0 0 109 7.702 107.754 4.202 5 U 33.487 0.00E+00 m 0 0 0 0 0 110 7.701 107.737 4.048 5 U 73.041 0.00E+00 m 0 0 0 0 0 111 7.703 107.741 3.839 5 U 15.449 0.00E+00 m 0 0 0 0 0 112 7.701 107.742 3.613 5 U 72.308 0.00E+00 m 0 0 0 0 0 113 7.704 107.766 1.975 5 U 12.211 0.00E+00 m 0 0 0 0 0 120 7.421 109.279 7.605 5 U 89.556 0.00E+00 m 0 0 0 0 0 121 7.420 109.234 8.291 5 U 7.040 0.00E+00 m 0 0 0 0 0 125 7.422 109.278 4.190 5 U 46.303 0.00E+00 m 0 0 0 0 0 126 7.421 109.282 4.006 5 U 26.378 0.00E+00 m 0 0 0 0 0 127 7.422 109.300 3.661 5 U 11.723 0.00E+00 m 0 0 0 0 0 134 7.421 109.282 0.879 5 U 59.695 0.00E+00 m 0 0 0 0 0 135 7.422 109.282 0.671 5 U 39.315 0.00E+00 m 0 0 0 0 0 136 7.611 109.901 7.504 5 U 38.450 0.00E+00 m 0 0 0 0 0 138 7.612 109.915 4.764 5 U 22.965 0.00E+00 m 0 0 0 0 0 139 7.612 109.903 4.186 5 U 25.272 0.00E+00 m 0 0 0 0 0 140 7.613 109.895 4.029 5 U 56.417 0.00E+00 m 0 0 0 0 0 141 7.613 109.908 3.635 5 U 57.618 0.00E+00 m 0 0 0 0 0 145 7.627 111.189 8.706 5 U 11.818 0.00E+00 m 0 0 0 0 0 146 7.627 111.161 4.495 5 U 72.163 0.00E+00 m 0 0 0 0 0 147 7.627 111.157 4.374 5 U 57.698 0.00E+00 m 0 0 0 0 0 148 7.627 111.171 3.614 5 U 67.369 0.00E+00 m 0 0 0 0 0 150 7.629 111.183 1.209 5 U 11.769 0.00E+00 m 0 0 0 0 0 151 7.628 111.192 0.958 5 U 18.343 0.00E+00 m 0 0 0 0 0 153 7.604 112.788 7.422 5 U 33.567 0.00E+00 m 0 0 0 0 0 154 7.602 112.796 4.150 5 U 58.651 0.00E+00 m 0 0 0 0 0 155 7.601 112.801 4.003 5 U 48.172 0.00E+00 m 0 0 0 0 0 156 7.601 112.816 3.766 5 U 17.045 0.00E+00 m 0 0 0 0 0 157 7.603 112.854 3.607 5 U 13.348 0.00E+00 m 0 0 0 0 0 160 7.602 112.796 1.970 5 U 47.780 0.00E+00 m 0 0 0 0 0 165 7.541 113.362 8.238 5 U 14.011 0.00E+00 m 0 0 0 0 0 167 7.542 113.417 4.276 5 U 41.058 0.00E+00 m 0 0 0 0 0 168 7.542 113.393 4.138 5 U 14.786 0.00E+00 m 0 0 0 0 0 169 7.542 113.402 3.924 5 U 19.978 0.00E+00 m 0 0 0 0 0 171 7.542 113.415 3.647 5 U 21.447 0.00E+00 m 0 0 0 0 0 172 7.542 113.400 3.469 5 U 5.236 0.00E+00 m 0 0 0 0 0 173 7.543 113.416 1.878 5 U 12.741 0.00E+00 m 0 0 0 0 0 174 7.543 113.392 1.804 5 U 14.014 0.00E+00 m 0 0 0 0 0 176 7.543 113.419 1.080 5 U 8.958 0.00E+00 m 0 0 0 0 0 180 8.095 113.720 4.132 5 U 17.583 0.00E+00 m 0 0 0 0 0 181 8.095 113.759 3.724 5 U 19.572 0.00E+00 m 0 0 0 0 0 183 8.039 114.056 1.938 5 U 32.237 0.00E+00 m 0 0 0 0 0 185 8.043 114.033 8.524 5 U 7.665 0.00E+00 m 0 0 0 0 0 188 8.041 114.040 4.900 5 U 6.791 0.00E+00 m 0 0 0 0 0 189 8.038 114.077 3.975 5 U 18.094 0.00E+00 m 0 0 0 0 0 190 8.039 114.076 3.834 5 U 13.265 0.00E+00 m 0 0 0 0 0 191 8.039 114.050 3.462 5 U 23.410 0.00E+00 m 0 0 0 0 0 192 8.038 114.044 1.792 5 U 14.286 0.00E+00 m 0 0 0 0 0 194 8.039 114.066 1.033 5 U 39.014 0.00E+00 m 0 0 0 0 0 196 7.739 115.810 7.625 5 U 20.894 0.00E+00 m 0 0 0 0 0 197 7.738 115.791 4.265 5 U 11.894 0.00E+00 m 0 0 0 0 0 198 7.741 115.836 4.121 5 U 13.496 0.00E+00 m 0 0 0 0 0 199 7.742 115.819 1.864 5 U 15.914 0.00E+00 m 0 0 0 0 0 200 7.741 115.823 1.648 5 U 11.362 0.00E+00 m 0 0 0 0 0 201 7.741 115.810 1.422 5 U 15.627 0.00E+00 m 0 0 0 0 0 202 7.744 115.812 1.026 5 U 15.427 0.00E+00 m 0 0 0 0 0 203 7.743 115.820 0.809 5 U 11.364 0.00E+00 m 0 0 0 0 0 205 7.504 115.297 8.246 5 U 6.242 0.00E+00 m 0 0 0 0 0 206 7.552 115.635 8.091 5 U 21.906 0.00E+00 m 0 0 0 0 0 207 7.502 115.202 7.252 5 U 18.242 0.00E+00 m 0 0 0 0 0 208 7.500 115.193 4.770 5 U 52.238 0.00E+00 m 0 0 0 0 0 209 7.555 115.606 4.350 5 U 21.784 0.00E+00 m 0 0 0 0 0 210 7.501 115.197 4.184 5 U 50.498 0.00E+00 m 0 0 0 0 0 211 7.501 115.191 3.978 5 U 34.506 0.00E+00 m 0 0 0 0 0 212 7.501 115.208 3.726 5 U 39.590 0.00E+00 m 0 0 0 0 0 218 7.556 115.509 7.947 5 U 5.547 0.00E+00 m 0 0 0 0 0 219 7.554 115.632 4.942 5 U 33.865 0.00E+00 m 0 0 0 0 0 220 7.552 115.545 3.845 5 U 7.039 0.00E+00 m 0 0 0 0 0 221 7.552 115.614 3.600 5 U 23.053 0.00E+00 m 0 0 0 0 0 222 7.556 115.651 3.107 5 U 9.000 0.00E+00 m 0 0 0 0 0 223 7.554 115.602 1.045 5 U 27.514 0.00E+00 m 0 0 0 0 0 228 7.578 115.297 4.222 5 U 23.778 0.00E+00 m 0 0 0 0 0 229 7.581 115.293 4.096 5 U 17.672 0.00E+00 m 0 0 0 0 0 230 7.580 115.294 1.832 5 U 41.180 0.00E+00 m 0 0 0 0 0 232 7.580 115.295 1.425 5 U 18.425 0.00E+00 m 0 0 0 0 0 234 7.581 115.296 0.763 5 U 14.963 0.00E+00 m 0 0 0 0 0 236 7.376 114.980 7.579 5 U 38.223 0.00E+00 m 0 0 0 0 0 238 7.377 114.971 4.223 5 U 22.470 0.00E+00 m 0 0 0 0 0 239 7.377 114.976 4.094 5 U 40.461 0.00E+00 m 0 0 0 0 0 240 7.377 114.972 2.587 5 U 61.948 0.00E+00 m 0 0 0 0 0 241 7.376 114.973 1.833 5 U 17.085 0.00E+00 m 0 0 0 0 0 243 7.375 115.009 1.429 5 U 8.037 0.00E+00 m 0 0 0 0 0 245 7.377 115.008 0.998 5 U 7.154 0.00E+00 m 0 0 0 0 0 248 7.348 115.738 4.209 5 U 7.639 0.00E+00 m 0 0 0 0 0 252 7.349 115.781 1.830 5 U 23.226 0.00E+00 m 0 0 0 0 0 253 7.349 115.785 1.713 5 U 23.812 0.00E+00 m 0 0 0 0 0 256 6.945 115.551 8.195 5 U 6.044 0.00E+00 m 0 0 0 0 0 257 6.944 115.556 6.498 5 U 14.150 0.00E+00 m 0 0 0 0 0 258 6.942 115.536 4.052 5 U 6.507 0.00E+00 m 0 0 0 0 0 259 6.940 115.559 4.165 5 U 13.132 0.00E+00 m 0 0 0 0 0 260 6.944 115.552 3.891 5 U 10.598 0.00E+00 m 0 0 0 0 0 263 6.942 115.541 1.267 5 U 33.510 0.00E+00 m 0 0 0 0 0 267 7.230 117.321 8.156 5 U 57.178 0.00E+00 m 0 0 0 0 0 271 7.230 117.291 4.026 5 U 58.917 0.00E+00 m 0 0 0 0 0 272 7.236 116.702 3.840 5 U 15.668 0.00E+00 m 0 0 0 0 0 274 7.237 116.698 3.457 5 U 14.769 0.00E+00 m 0 0 0 0 0 277 7.237 116.671 2.614 5 U 7.658 0.00E+00 m 0 0 0 0 0 278 7.235 116.748 2.466 5 U 11.839 0.00E+00 m 0 0 0 0 0 279 7.237 116.683 1.974 5 U 29.984 0.00E+00 m 0 0 0 0 0 280 7.237 116.753 1.743 5 U 42.488 0.00E+00 m 0 0 0 0 0 281 7.232 117.262 1.667 5 U 30.279 0.00E+00 m 0 0 0 0 0 284 7.236 116.757 1.052 5 U 10.714 0.00E+00 m 0 0 0 0 0 285 7.238 116.671 0.766 5 U 10.947 0.00E+00 m 0 0 0 0 0 286 7.233 117.163 0.678 5 U 12.702 0.00E+00 m 0 0 0 0 0 288 7.480 117.698 8.241 5 U 39.006 0.00E+00 m 0 0 0 0 0 289 7.479 117.689 7.628 5 U 20.861 0.00E+00 m 0 0 0 0 0 291 7.480 117.678 4.201 5 U 68.480 0.00E+00 m 0 0 0 0 0 292 7.480 117.675 3.981 5 U 92.391 0.00E+00 m 0 0 0 0 0 293 7.480 117.670 3.884 5 U 63.199 0.00E+00 m 0 0 0 0 0 295 7.479 117.663 3.614 5 U 19.009 0.00E+00 m 0 0 0 0 0 296 7.478 117.642 2.278 5 U 8.081 0.00E+00 m 0 0 0 0 0 297 7.478 117.667 2.014 5 U 13.755 0.00E+00 m 0 0 0 0 0 298 7.477 117.675 1.865 5 U 16.871 0.00E+00 m 0 0 0 0 0 299 7.478 117.597 1.663 5 U 11.221 0.00E+00 m 0 0 0 0 0 303 7.479 117.672 0.559 5 U 25.675 0.00E+00 m 0 0 0 0 0 307 7.577 117.180 7.825 5 U 46.827 0.00E+00 m 0 0 0 0 0 309 7.578 117.155 8.560 5 U 6.784 0.00E+00 m 0 0 0 0 0 310 7.577 117.189 3.934 5 U 54.194 0.00E+00 m 0 0 0 0 0 312 7.578 117.200 3.665 5 U 7.729 0.00E+00 m 0 0 0 0 0 318 7.578 117.183 1.080 5 U 35.676 0.00E+00 m 0 0 0 0 0 319 7.580 117.210 0.881 5 U 10.070 0.00E+00 m 0 0 0 0 0 320 7.578 117.168 0.696 5 U 54.053 0.00E+00 m 0 0 0 0 0 324 7.674 117.106 3.982 5 U 13.116 0.00E+00 m 0 0 0 0 0 325 7.674 117.073 3.837 5 U 11.344 0.00E+00 m 0 0 0 0 0 326 7.679 117.072 3.699 5 U 18.382 0.00E+00 m 0 0 0 0 0 329 7.677 117.047 1.989 5 U 22.490 0.00E+00 m 0 0 0 0 0 330 7.678 117.066 1.664 5 U 46.396 0.00E+00 m 0 0 0 0 0 331 7.673 117.090 1.373 5 U 11.220 0.00E+00 m 0 0 0 0 0 332 7.672 117.066 1.041 5 U 16.567 0.00E+00 m 0 0 0 0 0 333 7.673 117.056 0.849 5 U 11.994 0.00E+00 m 0 0 0 0 0 334 7.674 117.075 0.674 5 U 61.053 0.00E+00 m 0 0 0 0 0 338 8.290 117.470 7.701 5 U 23.740 0.00E+00 m 0 0 0 0 0 339 8.294 117.493 6.931 5 U 6.113 0.00E+00 m 0 0 0 0 0 341 8.293 117.449 3.953 5 U 21.002 0.00E+00 m 0 0 0 0 0 342 8.294 117.470 7.610 5 U 27.880 0.00E+00 m 0 0 0 0 0 343 8.293 117.478 3.773 5 U 40.822 0.00E+00 m 0 0 0 0 0 346 8.294 117.468 1.973 5 U 88.633 0.00E+00 m 0 0 0 0 0 347 8.317 116.950 1.712 5 U 32.547 0.00E+00 m 0 0 0 0 0 349 8.295 117.427 1.419 5 U 30.877 0.00E+00 m 0 0 0 0 0 351 8.294 117.418 0.881 5 U 14.511 0.00E+00 m 0 0 0 0 0 352 8.295 117.437 0.677 5 U 18.229 0.00E+00 m 0 0 0 0 0 354 8.488 116.751 8.747 5 U 16.723 0.00E+00 m 0 0 0 0 0 356 8.488 116.755 8.036 5 U 21.164 0.00E+00 m 0 0 0 0 0 357 8.490 116.725 3.972 5 U 9.420 0.00E+00 m 0 0 0 0 0 358 8.485 116.741 3.841 5 U 19.274 0.00E+00 m 0 0 0 0 0 359 8.483 116.741 3.119 5 U 8.912 0.00E+00 m 0 0 0 0 0 360 8.485 116.779 2.850 5 U 17.879 0.00E+00 m 0 0 0 0 0 362 8.483 116.764 2.105 5 U 20.681 0.00E+00 m 0 0 0 0 0 363 8.486 116.748 1.881 5 U 16.766 0.00E+00 m 0 0 0 0 0 364 8.487 116.754 1.767 5 U 49.904 0.00E+00 m 0 0 0 0 0 365 8.486 116.747 1.040 5 U 18.214 0.00E+00 m 0 0 0 0 0 370 8.123 118.703 3.526 5 U 17.544 0.00E+00 m 0 0 0 0 0 371 8.121 118.807 3.843 5 U 6.421 0.00E+00 m 0 0 0 0 0 372 8.124 118.703 3.113 5 U 8.093 0.00E+00 m 0 0 0 0 0 373 8.127 118.699 2.197 5 U 20.248 0.00E+00 m 0 0 0 0 0 374 8.128 118.755 1.686 5 U 38.428 0.00E+00 m 0 0 0 0 0 375 8.124 118.705 1.198 5 U 20.247 0.00E+00 m 0 0 0 0 0 378 8.128 118.712 0.668 5 U 28.986 0.00E+00 m 0 0 0 0 0 379 8.124 118.702 0.450 5 U 34.267 0.00E+00 m 0 0 0 0 0 384 7.825 118.507 6.997 5 U 15.496 0.00E+00 m 0 0 0 0 0 385 7.827 118.526 4.007 5 U 53.596 0.00E+00 m 0 0 0 0 0 386 7.827 118.520 3.661 5 U 25.743 0.00E+00 m 0 0 0 0 0 387 7.827 118.515 3.254 5 U 34.569 0.00E+00 m 0 0 0 0 0 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76.848 0.00E+00 m 0 0 0 0 0 503 7.667 121.928 7.798 5 U 23.952 0.00E+00 m 0 0 0 0 0 505 7.666 121.910 7.352 5 U 67.468 0.00E+00 m 0 0 0 0 0 507 7.667 121.904 4.794 5 U 22.815 0.00E+00 m 0 0 0 0 0 508 7.666 121.909 4.223 5 U 11.779 0.00E+00 m 0 0 0 0 0 509 7.666 121.923 4.080 5 U 32.066 0.00E+00 m 0 0 0 0 0 511 7.666 121.915 3.397 5 U 32.891 0.00E+00 m 0 0 0 0 0 512 7.667 121.885 3.235 5 U 20.045 0.00E+00 m 0 0 0 0 0 513 7.667 121.844 2.013 5 U 7.833 0.00E+00 m 0 0 0 0 0 514 7.668 121.909 1.842 5 U 12.936 0.00E+00 m 0 0 0 0 0 515 7.667 121.890 1.721 5 U 12.047 0.00E+00 m 0 0 0 0 0 516 7.666 121.849 1.603 5 U 8.964 0.00E+00 m 0 0 0 0 0 519 7.585 122.763 8.087 5 U 7.881 0.00E+00 m 0 0 0 0 0 520 7.592 123.313 7.425 5 U 63.746 0.00E+00 m 0 0 0 0 0 521 7.593 123.323 4.383 5 U 32.599 0.00E+00 m 0 0 0 0 0 522 7.580 122.816 4.219 5 U 29.019 0.00E+00 m 0 0 0 0 0 523 7.578 122.741 4.087 5 U 55.010 0.00E+00 m 0 0 0 0 0 527 7.592 123.279 2.487 5 U 21.159 0.00E+00 m 0 0 0 0 0 528 7.594 123.335 1.980 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123.937 3.245 5 U 11.332 0.00E+00 m 0 0 0 0 0 593 8.758 123.954 1.894 5 U 29.439 0.00E+00 m 0 0 0 0 0 594 8.759 123.978 1.035 5 U 10.179 0.00E+00 m 0 0 0 0 0 600 8.699 124.301 3.610 5 U 32.896 0.00E+00 m 0 0 0 0 0 602 8.699 124.290 1.548 5 U 37.048 0.00E+00 m 0 0 0 0 0 604 8.706 124.180 0.633 5 U 28.556 0.00E+00 m 0 0 0 0 0 606 8.553 128.674 4.379 5 U 9.338 0.00E+00 m 0 0 0 0 0 607 8.553 128.732 4.086 5 U 60.929 0.00E+00 m 0 0 0 0 0 608 8.554 128.740 1.776 5 U 34.935 0.00E+00 m 0 0 0 0 0 610 8.553 128.707 1.506 5 U 21.066 0.00E+00 m 0 0 0 0 0 616 8.535 123.162 7.239 5 U 21.178 0.00E+00 m 0 0 0 0 0 617 8.533 123.188 4.902 5 U 10.059 0.00E+00 m 0 0 0 0 0 618 8.534 123.152 4.128 5 U 15.367 0.00E+00 m 0 0 0 0 0 619 8.535 123.139 3.996 5 U 17.464 0.00E+00 m 0 0 0 0 0 620 8.534 123.147 3.842 5 U 25.621 0.00E+00 m 0 0 0 0 0 621 8.534 123.141 2.616 5 U 13.759 0.00E+00 m 0 0 0 0 0 622 8.535 123.162 2.462 5 U 19.594 0.00E+00 m 0 0 0 0 0 623 8.533 123.159 2.150 5 U 14.632 0.00E+00 m 0 0 0 0 0 624 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12.717 0.00E+00 m 0 0 0 0 0 779 7.693 133.994 4.079 5 U 221.259 0.00E+00 m 0 0 0 0 0 780 7.693 133.998 3.953 5 U 69.558 0.00E+00 m 0 0 0 0 0 783 7.694 133.996 1.330 5 U 31.821 0.00E+00 m 0 0 0 0 0 789 7.693 133.995 0.556 5 U 27.920 0.00E+00 m 0 0 0 0 0 792 6.657 125.327 4.258 5 U 12.554 0.00E+00 m 0 0 0 0 0 793 6.659 125.344 4.120 5 U 18.730 0.00E+00 m 0 0 0 0 0 796 6.658 125.339 1.554 5 U 33.076 0.00E+00 m 0 0 0 0 0 797 6.659 125.285 1.261 5 U 7.619 0.00E+00 m 0 0 0 0 0 798 6.658 125.338 0.687 5 U 47.849 0.00E+00 m 0 0 0 0 0 799 6.658 125.358 0.356 5 U 17.320 0.00E+00 m 0 0 0 0 0 801 6.485 110.729 4.221 5 U 15.422 0.00E+00 m 0 0 0 0 0 802 6.488 110.720 4.082 5 U 6.742 0.00E+00 m 0 0 0 0 0 803 6.486 110.738 2.585 5 U 28.312 0.00E+00 m 0 0 0 0 0 804 7.282 110.733 6.487 5 U 235.431 0.00E+00 m 0 0 0 0 0 805 7.284 110.731 4.224 5 U 15.162 0.00E+00 m 0 0 0 0 0 806 7.284 110.778 4.087 5 U 7.336 0.00E+00 m 0 0 0 0 0 807 7.283 110.735 2.588 5 U 38.049 0.00E+00 m 0 0 0 0 0 808 7.266 111.575 2.371 5 U 27.994 0.00E+00 m 0 0 0 0 0 811 6.644 111.594 2.374 5 U 24.540 0.00E+00 m 0 0 0 0 0 812 6.646 111.588 2.235 5 U 18.610 0.00E+00 m 0 0 0 0 0 814 7.266 111.613 6.647 5 U 624.184 0.00E+00 m 0 0 0 0 0 816 7.267 111.593 2.241 5 U 26.150 0.00E+00 m 0 0 0 0 0 818 9.831 131.324 7.826 5 U 26.755 0.00E+00 m 0 0 0 0 0 820 9.829 131.307 7.367 5 U 11.281 0.00E+00 m 0 0 0 0 0 821 9.830 131.315 7.258 5 U 16.965 0.00E+00 m 0 0 0 0 0 822 9.831 131.326 7.114 5 U 63.430 0.00E+00 m 0 0 0 0 0 825 9.834 131.318 4.458 5 U 11.922 0.00E+00 m 0 0 0 0 0 826 9.831 131.323 4.066 5 U 13.943 0.00E+00 m 0 0 0 0 0 828 9.830 131.346 3.471 5 U 5.251 0.00E+00 m 0 0 0 0 0 829 9.830 131.298 2.819 5 U 4.727 0.00E+00 m 0 0 0 0 0 835 9.829 131.333 0.014 5 U 9.364 0.00E+00 m 0 0 0 0 0 846 8.739 130.066 0.625 5 U 26.120 0.00E+00 m 0 0 0 0 0 # Number of dimensions 3 #INAME 1 proton1 #INAME 2 hetero1 #INAME 3 proton2 2 -0.181 16.874 6.388 5 U 58.322 0.00E+00 m 0 0 0 0 0 3 -0.181 16.869 0.873 5 U 45.902 0.00E+00 m 0 0 0 0 0 8 -0.179 16.948 3.229 5 U 43.653 0.00E+00 m 0 0 0 0 0 9 -0.179 16.817 6.800 5 U 44.631 0.00E+00 m 0 0 0 0 0 10 -0.179 16.949 1.714 5 U 29.118 0.00E+00 m 0 0 0 0 0 11 -0.178 16.813 3.083 5 U 32.829 0.00E+00 m 0 0 0 0 0 12 -0.177 16.894 0.665 5 U 40.096 0.00E+00 m 0 0 0 0 0 13 -0.177 16.870 4.039 5 U 49.870 0.00E+00 m 0 0 0 0 0 14 -0.174 16.828 1.184 5 U 42.539 0.00E+00 m 0 0 0 0 0 16 0.009 33.085 1.747 5 U 20.002 0.00E+00 m 0 0 0 0 0 17 0.016 32.872 6.393 5 U 10.784 0.00E+00 m 0 0 0 0 0 18 0.021 32.923 4.529 5 U 14.875 0.00E+00 m 0 0 0 0 0 19 0.021 32.808 5.870 5 U 12.991 0.00E+00 m 0 0 0 0 0 20 0.022 32.774 3.487 5 U 13.173 0.00E+00 m 0 0 0 0 0 21 0.301 24.322 0.667 5 U 36.137 0.00E+00 m 0 0 0 0 0 22 0.305 24.233 0.500 5 U 33.917 0.00E+00 m 0 0 0 0 0 24 0.324 10.840 1.514 5 U 17.166 0.00E+00 m 0 0 0 0 0 28 0.326 10.799 0.718 5 U 85.106 0.00E+00 m 0 0 0 0 0 29 0.326 10.683 4.099 5 U 30.789 0.00E+00 m 0 0 0 0 0 31 0.326 10.769 8.546 5 U 29.096 0.00E+00 m 0 0 0 0 0 32 0.327 10.799 1.200 5 U 163.799 0.00E+00 m 0 0 0 0 0 33 0.327 10.807 1.778 5 U 64.665 0.00E+00 m 0 0 0 0 0 34 0.327 10.180 4.374 5 U 48.703 0.00E+00 m 0 0 0 0 0 37 0.328 10.846 1.948 5 U 39.476 0.00E+00 m 0 0 0 0 0 40 0.354 19.357 6.941 5 U 21.940 0.00E+00 m 0 0 0 0 0 41 0.354 19.078 7.252 5 U 35.421 0.00E+00 m 0 0 0 0 0 42 0.354 19.253 1.453 5 U 58.214 0.00E+00 m 0 0 0 0 0 45 0.356 19.240 3.482 5 U 47.587 0.00E+00 m 0 0 0 0 0 46 0.357 20.307 1.549 5 U 74.030 0.00E+00 m 0 0 0 0 0 49 0.359 20.109 4.111 5 U 63.723 0.00E+00 m 0 0 0 0 0 50 0.363 20.409 6.508 5 U 64.647 0.00E+00 m 0 0 0 0 0 54 0.392 13.797 0.122 5 U 45.159 0.00E+00 m 0 0 0 0 0 56 0.393 13.749 3.275 5 U 51.095 0.00E+00 m 0 0 0 0 0 57 0.393 13.795 1.494 5 U 147.308 0.00E+00 m 0 0 0 0 0 61 0.397 13.776 0.640 5 U 457.927 0.00E+00 m 0 0 0 0 0 62 0.400 13.721 8.720 5 U 53.533 0.00E+00 m 0 0 0 0 0 66 0.408 11.414 6.541 5 U 17.232 0.00E+00 m 0 0 0 0 0 68 0.416 26.612 8.118 5 U 29.046 0.00E+00 m 0 0 0 0 0 69 0.416 11.503 4.335 5 U 19.126 0.00E+00 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21.895 3.506 5 U 46.428 0.00E+00 m 0 0 0 0 0 95 0.455 21.688 6.556 5 U 15.111 0.00E+00 m 0 0 0 0 0 96 0.455 21.882 1.196 5 U 69.703 0.00E+00 m 0 0 0 0 0 98 0.463 26.860 0.915 5 U 47.158 0.00E+00 m 0 0 0 0 0 99 0.468 17.686 1.296 5 U 16.344 0.00E+00 m 0 0 0 0 0 100 0.469 17.954 2.214 5 U 10.808 0.00E+00 m 0 0 0 0 0 101 0.478 17.716 6.668 5 U 15.276 0.00E+00 m 0 0 0 0 0 102 0.480 17.572 1.020 5 U 15.230 0.00E+00 m 0 0 0 0 0 103 0.494 12.717 4.348 5 U 21.731 0.00E+00 m 0 0 0 0 0 105 0.496 12.710 7.552 5 U 30.787 0.00E+00 m 0 0 0 0 0 106 0.496 12.669 3.083 5 U 55.851 0.00E+00 m 0 0 0 0 0 107 0.496 12.702 3.220 5 U 51.833 0.00E+00 m 0 0 0 0 0 108 0.497 12.674 6.389 5 U 40.662 0.00E+00 m 0 0 0 0 0 109 0.497 12.691 3.597 5 U 63.512 0.00E+00 m 0 0 0 0 0 110 0.497 12.747 4.052 5 U 38.498 0.00E+00 m 0 0 0 0 0 111 0.497 12.664 -0.189 5 U 121.828 0.00E+00 m 0 0 0 0 0 112 0.498 12.661 6.808 5 U 25.689 0.00E+00 m 0 0 0 0 0 114 0.499 12.703 6.552 5 U 28.317 0.00E+00 m 0 0 0 0 0 115 0.499 12.635 6.942 5 U 45.388 0.00E+00 m 0 0 0 0 0 117 0.500 12.731 1.766 5 U 63.154 0.00E+00 m 0 0 0 0 0 118 0.500 12.724 1.163 5 U 71.503 0.00E+00 m 0 0 0 0 0 120 0.501 24.137 7.244 5 U 26.862 0.00E+00 m 0 0 0 0 0 121 0.501 24.192 1.375 5 U 219.298 0.00E+00 m 0 0 0 0 0 122 0.501 24.195 1.532 5 U 98.473 0.00E+00 m 0 0 0 0 0 125 0.502 24.170 8.252 5 U 27.036 0.00E+00 m 0 0 0 0 0 126 0.502 24.197 1.227 5 U 135.222 0.00E+00 m 0 0 0 0 0 127 0.502 24.185 3.761 5 U 79.147 0.00E+00 m 0 0 0 0 0 129 0.502 24.174 1.035 5 U 129.958 0.00E+00 m 0 0 0 0 0 130 0.502 24.166 1.649 5 U 83.323 0.00E+00 m 0 0 0 0 0 133 0.504 24.139 4.768 5 U 43.634 0.00E+00 m 0 0 0 0 0 134 0.505 24.094 7.502 5 U 29.807 0.00E+00 m 0 0 0 0 0 135 0.531 25.781 7.687 5 U 30.270 0.00E+00 m 0 0 0 0 0 136 0.536 25.791 1.023 5 U 155.416 0.00E+00 m 0 0 0 0 0 138 0.545 14.139 3.976 5 U 33.646 0.00E+00 m 0 0 0 0 0 139 0.546 14.237 4.893 5 U 20.685 0.00E+00 m 0 0 0 0 0 140 0.546 14.196 3.245 5 U 65.345 0.00E+00 m 0 0 0 0 0 144 0.547 14.142 1.042 5 U 122.431 0.00E+00 m 0 0 0 0 0 145 0.547 14.171 1.829 5 U 207.751 0.00E+00 m 0 0 0 0 0 146 0.547 14.173 1.153 5 U 135.568 0.00E+00 m 0 0 0 0 0 147 0.547 14.181 3.758 5 U 74.691 0.00E+00 m 0 0 0 0 0 148 0.547 14.166 3.380 5 U 71.351 0.00E+00 m 0 0 0 0 0 149 0.547 14.129 8.748 5 U 28.119 0.00E+00 m 0 0 0 0 0 150 0.548 25.564 1.374 5 U 227.156 0.00E+00 m 0 0 0 0 0 152 0.551 14.171 7.797 5 U 30.717 0.00E+00 m 0 0 0 0 0 153 0.552 25.480 1.815 5 U 93.053 0.00E+00 m 0 0 0 0 0 155 0.553 25.340 7.818 5 U 42.334 0.00E+00 m 0 0 0 0 0 156 0.553 25.506 3.974 5 U 139.947 0.00E+00 m 0 0 0 0 0 157 0.554 25.374 8.258 5 U 34.767 0.00E+00 m 0 0 0 0 0 160 0.555 25.400 1.224 5 U 91.767 0.00E+00 m 0 0 0 0 0 161 0.555 25.404 1.533 5 U 145.605 0.00E+00 m 0 0 0 0 0 164 0.557 25.476 4.761 5 U 32.277 0.00E+00 m 0 0 0 0 0 166 0.560 12.504 6.540 5 U 23.591 0.00E+00 m 0 0 0 0 0 167 0.562 12.602 7.219 5 U 10.842 0.00E+00 m 0 0 0 0 0 168 0.568 23.564 4.763 5 U 43.447 0.00E+00 m 0 0 0 0 0 169 0.569 12.581 1.010 5 U 70.432 0.00E+00 m 0 0 0 0 0 170 0.569 23.554 7.232 5 U 31.218 0.00E+00 m 0 0 0 0 0 171 0.570 23.513 4.170 5 U 137.007 0.00E+00 m 0 0 0 0 0 172 0.570 12.534 6.679 5 U 19.653 0.00E+00 m 0 0 0 0 0 175 0.570 23.539 7.491 5 U 97.019 0.00E+00 m 0 0 0 0 0 176 0.570 23.556 3.714 5 U 151.981 0.00E+00 m 0 0 0 0 0 177 0.570 23.565 1.390 5 U 174.121 0.00E+00 m 0 0 0 0 0 178 0.571 23.537 3.809 5 U 116.152 0.00E+00 m 0 0 0 0 0 179 0.572 23.530 1.789 5 U 109.068 0.00E+00 m 0 0 0 0 0 180 0.573 12.521 1.753 5 U 48.104 0.00E+00 m 0 0 0 0 0 181 0.573 23.574 1.033 5 U 293.845 0.00E+00 m 0 0 0 0 0 182 0.603 11.898 1.675 5 U 66.251 0.00E+00 m 0 0 0 0 0 184 0.604 11.860 4.142 5 U 50.236 0.00E+00 m 0 0 0 0 0 185 0.606 11.831 3.582 5 U 110.139 0.00E+00 m 0 0 0 0 0 186 0.607 11.883 1.882 5 U 89.863 0.00E+00 m 0 0 0 0 0 187 0.607 11.851 1.316 5 U 177.213 0.00E+00 m 0 0 0 0 0 188 0.607 11.792 1.426 5 U 160.006 0.00E+00 m 0 0 0 0 0 189 0.607 11.874 6.930 5 U 58.570 0.00E+00 m 0 0 0 0 0 192 0.618 23.824 7.116 5 U 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129.930 0.00E+00 m 0 0 0 0 0 234 0.679 25.196 2.153 5 U 102.418 0.00E+00 m 0 0 0 0 0 235 0.679 25.146 1.398 5 U 372.550 0.00E+00 m 0 0 0 0 0 238 0.680 24.490 3.269 5 U 62.008 0.00E+00 m 0 0 0 0 0 239 0.681 25.133 8.288 5 U 11.934 0.00E+00 m 0 0 0 0 0 244 0.684 22.912 7.671 5 U 41.455 0.00E+00 m 0 0 0 0 0 246 0.685 14.223 1.123 5 U 235.856 0.00E+00 m 0 0 0 0 0 248 0.685 14.223 7.675 5 U 37.258 0.00E+00 m 0 0 0 0 0 249 0.685 14.230 3.990 5 U 124.053 0.00E+00 m 0 0 0 0 0 251 0.685 17.859 1.434 5 U 100.994 0.00E+00 m 0 0 0 0 0 254 0.686 17.731 4.148 5 U 43.358 0.00E+00 m 0 0 0 0 0 256 0.686 14.212 1.616 5 U 275.536 0.00E+00 m 0 0 0 0 0 258 0.686 17.919 6.931 5 U 56.849 0.00E+00 m 0 0 0 0 0 260 0.686 18.039 1.879 5 U 135.991 0.00E+00 m 0 0 0 0 0 261 0.686 22.331 6.680 5 U 110.924 0.00E+00 m 0 0 0 0 0 262 0.686 14.245 1.976 5 U 151.969 0.00E+00 m 0 0 0 0 0 263 0.686 22.345 6.516 5 U 66.638 0.00E+00 m 0 0 0 0 0 265 0.691 16.701 7.494 5 U 19.384 0.00E+00 m 0 0 0 0 0 267 0.692 14.266 7.455 5 U 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80.271 0.00E+00 m 0 0 0 0 0 352 0.879 18.414 8.744 5 U 24.836 0.00E+00 m 0 0 0 0 0 353 0.882 28.401 3.590 5 U 41.310 0.00E+00 m 0 0 0 0 0 354 0.883 25.979 0.674 5 U 269.933 0.00E+00 m 0 0 0 0 0 357 0.884 25.951 2.151 5 U 47.619 0.00E+00 m 0 0 0 0 0 359 0.885 25.887 1.864 5 U 40.499 0.00E+00 m 0 0 0 0 0 360 0.885 26.016 1.421 5 U 90.810 0.00E+00 m 0 0 0 0 0 361 0.885 18.561 7.801 5 U 20.249 0.00E+00 m 0 0 0 0 0 369 0.887 22.789 0.681 5 U 649.508 0.00E+00 m 0 0 0 0 0 370 0.887 22.797 4.195 5 U 318.956 0.00E+00 m 0 0 0 0 0 372 0.887 25.977 3.893 5 U 22.292 0.00E+00 m 0 0 0 0 0 374 0.888 22.762 3.999 5 U 144.267 0.00E+00 m 0 0 0 0 0 375 0.888 22.790 7.602 5 U 53.024 0.00E+00 m 0 0 0 0 0 376 0.888 22.816 1.337 5 U 111.836 0.00E+00 m 0 0 0 0 0 377 0.889 39.585 6.380 5 U 21.156 0.00E+00 m 0 0 0 0 0 379 0.889 39.797 0.665 5 U 21.663 0.00E+00 m 0 0 0 0 0 380 0.889 39.787 0.483 5 U 18.870 0.00E+00 m 0 0 0 0 0 382 0.890 22.800 3.602 5 U 33.086 0.00E+00 m 0 0 0 0 0 383 0.890 22.826 3.705 5 U 46.482 0.00E+00 m 0 0 0 0 0 384 0.890 22.733 0.431 5 U 30.289 0.00E+00 m 0 0 0 0 0 385 0.890 22.598 1.127 5 U 194.361 0.00E+00 m 0 0 0 0 0 388 0.896 28.331 1.613 5 U 65.181 0.00E+00 m 0 0 0 0 0 391 0.939 21.533 7.365 5 U 139.106 0.00E+00 m 0 0 0 0 0 392 0.939 21.521 7.265 5 U 181.100 0.00E+00 m 0 0 0 0 0 394 0.940 21.535 4.047 5 U 276.301 0.00E+00 m 0 0 0 0 0 396 0.963 21.391 7.612 5 U 76.618 0.00E+00 m 0 0 0 0 0 397 0.964 21.430 4.364 5 U 856.642 0.00E+00 m 0 0 0 0 0 399 0.997 26.741 0.762 5 U 217.089 0.00E+00 m 0 0 0 0 0 400 0.997 26.751 7.575 5 U 55.231 0.00E+00 m 0 0 0 0 0 403 1.000 26.743 3.593 5 U 40.836 0.00E+00 m 0 0 0 0 0 406 1.002 26.896 2.570 5 U 24.980 0.00E+00 m 0 0 0 0 0 408 1.005 26.699 6.932 5 U 27.507 0.00E+00 m 0 0 0 0 0 409 1.020 27.006 0.566 5 U 68.950 0.00E+00 m 0 0 0 0 0 411 1.027 21.563 7.693 5 U 234.163 0.00E+00 m 0 0 0 0 0 412 1.027 21.670 9.356 5 U 40.334 0.00E+00 m 0 0 0 0 0 413 1.027 21.523 3.884 5 U 486.142 0.00E+00 m 0 0 0 0 0 414 1.028 21.256 8.104 5 U 48.339 0.00E+00 m 0 0 0 0 0 418 1.034 17.889 8.534 5 U 23.717 0.00E+00 m 0 0 0 0 0 421 1.035 17.912 4.342 5 U 71.838 0.00E+00 m 0 0 0 0 0 424 1.036 17.936 1.485 5 U 127.574 0.00E+00 m 0 0 0 0 0 428 1.038 18.080 1.780 5 U 53.420 0.00E+00 m 0 0 0 0 0 429 1.039 39.979 0.547 5 U 38.657 0.00E+00 m 0 0 0 0 0 431 1.041 17.941 9.357 5 U 18.349 0.00E+00 m 0 0 0 0 0 435 1.041 41.059 1.498 5 U 21.135 0.00E+00 m 0 0 0 0 0 438 1.055 20.873 3.609 5 U 158.226 0.00E+00 m 0 0 0 0 0 439 1.055 39.874 8.237 5 U 14.575 0.00E+00 m 0 0 0 0 0 440 1.066 21.874 4.119 5 U 383.028 0.00E+00 m 0 0 0 0 0 441 1.066 21.880 4.005 5 U 365.850 0.00E+00 m 0 0 0 0 0 443 1.067 21.940 0.716 5 U 444.041 0.00E+00 m 0 0 0 0 0 445 1.067 21.847 8.519 5 U 52.214 0.00E+00 m 0 0 0 0 0 446 1.067 21.927 4.892 5 U 60.404 0.00E+00 m 0 0 0 0 0 447 1.067 21.927 4.892 5 U 60.404 0.00E+00 m 0 0 0 0 0 449 1.089 21.964 4.316 5 U 178.134 0.00E+00 m 0 0 0 0 0 453 1.091 22.010 4.450 5 U 176.548 0.00E+00 m 0 0 0 0 0 455 1.091 22.062 8.332 5 U 28.483 0.00E+00 m 0 0 0 0 0 456 1.091 18.657 4.145 5 U 385.536 0.00E+00 m 0 0 0 0 0 461 1.093 43.188 0.693 5 U 83.388 0.00E+00 m 0 0 0 0 0 463 1.093 22.078 8.734 5 U 53.277 0.00E+00 m 0 0 0 0 0 464 1.094 18.643 8.205 5 U 33.060 0.00E+00 m 0 0 0 0 0 466 1.096 43.235 1.752 5 U 85.099 0.00E+00 m 0 0 0 0 0 471 1.126 26.450 0.324 5 U 51.354 0.00E+00 m 0 0 0 0 0 472 1.128 26.307 8.556 5 U 20.838 0.00E+00 m 0 0 0 0 0 473 1.128 21.778 7.621 5 U 36.764 0.00E+00 m 0 0 0 0 0 475 1.129 21.722 3.586 5 U 86.142 0.00E+00 m 0 0 0 0 0 476 1.129 21.816 7.425 5 U 58.794 0.00E+00 m 0 0 0 0 0 478 1.130 21.782 4.142 5 U 430.776 0.00E+00 m 0 0 0 0 0 479 1.130 21.807 4.002 5 U 368.781 0.00E+00 m 0 0 0 0 0 481 1.130 21.807 0.680 5 U 500.043 0.00E+00 m 0 0 0 0 0 483 1.159 23.038 7.240 5 U 14.035 0.00E+00 m 0 0 0 0 0 485 1.164 23.018 4.082 5 U 113.943 0.00E+00 m 0 0 0 0 0 486 1.165 22.598 0.543 5 U 192.614 0.00E+00 m 0 0 0 0 0 487 1.165 22.984 3.711 5 U 79.242 0.00E+00 m 0 0 0 0 0 488 1.165 22.615 3.938 5 U 226.064 0.00E+00 m 0 0 0 0 0 489 1.166 19.003 1.724 5 U 68.564 0.00E+00 m 0 0 0 0 0 490 1.166 18.870 4.348 5 U 31.820 0.00E+00 m 0 0 0 0 0 492 1.167 22.582 7.817 5 U 51.486 0.00E+00 m 0 0 0 0 0 493 1.169 19.113 3.560 5 U 25.082 0.00E+00 m 0 0 0 0 0 494 1.169 19.019 2.117 5 U 53.144 0.00E+00 m 0 0 0 0 0 495 1.170 19.022 8.192 5 U 149.143 0.00E+00 m 0 0 0 0 0 496 1.170 19.035 4.061 5 U 534.952 0.00E+00 m 0 0 0 0 0 497 1.170 19.039 1.829 5 U 63.514 0.00E+00 m 0 0 0 0 0 498 1.172 18.900 7.772 5 U 31.562 0.00E+00 m 0 0 0 0 0 499 1.173 18.976 4.167 5 U 77.602 0.00E+00 m 0 0 0 0 0 500 1.177 24.257 1.509 5 U 165.641 0.00E+00 m 0 0 0 0 0 501 1.179 19.080 8.084 5 U 28.904 0.00E+00 m 0 0 0 0 0 503 1.187 26.687 2.566 5 U 34.321 0.00E+00 m 0 0 0 0 0 504 1.188 26.511 8.551 5 U 14.589 0.00E+00 m 0 0 0 0 0 505 1.194 26.383 0.322 5 U 46.713 0.00E+00 m 0 0 0 0 0 506 1.209 22.168 7.619 5 U 33.017 0.00E+00 m 0 0 0 0 0 507 1.214 22.230 3.829 5 U 66.391 0.00E+00 m 0 0 0 0 0 509 1.215 41.289 7.818 5 U 26.158 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55.779 0.684 5 U 77.241 0.00E+00 m 0 0 0 0 0 1723 4.609 55.753 3.469 5 U 120.061 0.00E+00 m 0 0 0 0 0 1728 4.632 52.165 2.317 5 U 113.607 0.00E+00 m 0 0 0 0 0 1729 4.634 52.332 2.521 5 U 124.897 0.00E+00 m 0 0 0 0 0 1732 4.637 52.891 8.720 5 U 50.164 0.00E+00 m 0 0 0 0 0 1733 4.673 55.362 1.762 5 U 37.679 0.00E+00 m 0 0 0 0 0 1734 4.674 55.313 2.933 5 U 128.712 0.00E+00 m 0 0 0 0 0 1736 4.675 55.279 7.040 5 U 120.063 0.00E+00 m 0 0 0 0 0 1737 4.675 55.300 2.628 5 U 81.441 0.00E+00 m 0 0 0 0 0 1738 4.677 55.299 3.333 5 U 85.646 0.00E+00 m 0 0 0 0 0 1741 4.805 55.722 3.230 5 U 34.849 0.00E+00 m 0 0 0 0 0 1744 4.808 55.775 3.937 5 U 102.902 0.00E+00 m 0 0 0 0 0 1745 4.842 51.528 3.152 5 U 20.722 0.00E+00 m 0 0 0 0 0 1747 4.853 51.786 2.562 5 U 27.288 0.00E+00 m 0 0 0 0 0 1748 4.960 60.203 3.690 5 U 80.266 0.00E+00 m 0 0 0 0 0 1751 4.962 60.179 4.477 5 U 102.125 0.00E+00 m 0 0 0 0 0 1753 4.963 60.154 3.825 5 U 88.477 0.00E+00 m 0 0 0 0 0 1754 4.963 60.190 7.763 5 U 32.906 0.00E+00 m 0 0 0 0 0 1758 4.972 60.181 7.623 5 U 18.752 0.00E+00 m 0 0 0 0 0 1759 0.607 11.851 0.430 5 U 248.411 0.00E+00 m 0 0 0 0 0 1760 0.685 17.859 0.430 5 U 175.165 0.00E+00 m 0 0 0 0 0assign (resid 28 and name HN) (resid 24 and name O) 1.8 0.0 0.5
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