source: rotdif/add/demo/rotdif_demo_data.txt @ 1471

Last change on this file since 1471 was 1471, checked in by alexey, 2 years ago

ROTDIF

  • Property svn:executable set to *
File size: 3.6 KB
Line 
1%<residue><chain><atom 1><atom 2><magnet><T1><T1 error><T2><T2 error><NOE><NOE error>
2*2 A N H 600.00 2.300308 0.038523 5.056525 0.039846 0.639089 0.009900
33 A N H 600.00 2.276911 0.024362 4.778002 0.042812 0.695735 0.009900
44 A N H 600.00 2.356777 0.023803 5.099474 0.031392 0.693268 0.008500
55 A N H 600.00 2.387973 0.019532 5.203519 0.105184 0.703889 0.008400
66 A N H 600.00 2.355555 0.020916 5.015507 0.049854 0.700299 0.009100
77 A N H 600.00 2.312775 0.035069 4.853932 0.057846 0.710742 0.008300
88 A N H 600.00 2.330157 0.018197 5.018458 0.049702 0.697497 0.007600
99 A N H 600.00 2.293018 0.020153 4.896994 0.035259 0.672413 0.007100
1010 A N H 600.00 2.218472 0.014026 4.781191 0.033462 0.642683 0.006000
1111 A N H 600.00 2.095343 0.018639 4.646481 0.029582 0.607327 0.007100
12*12 A N H 600.00 1.869316 0.013644 3.780496 0.018387 0.589100 0.006100
1313 A N H 600.00 2.129328 0.018976 4.658710 0.039196 0.633860 0.007000
1414 A N H 600.00 2.064908 0.055549 4.273278 0.098271 0.645261 0.006400
1516 A N H 600.00 2.257285 0.039893 4.777745 0.155981 0.693909 0.007000
1617 A N H 600.00 2.210841 0.030686 4.748043 0.023231 0.691748 0.008300
1718 A N H 600.00 2.316420 0.061444 4.968901 0.094676 0.704641 0.006900
1819 A N H 600.00 2.133770 0.024507 4.526309 0.019541 0.701343 0.008400
1920 A N H 600.00 2.215260 0.040866 4.580229 0.046899 0.690907 0.006300
2021 A N H 600.00 2.277677 0.016262 4.937471 0.020256 0.676855 0.005900
2122 A N H 600.00 2.335498 0.056000 5.395945 0.171469 0.694076 0.005900
2223 A N H 600.00 2.347779 0.029605 5.340635 0.045835 0.752099 0.007100
2324 A N H 600.00 2.187923 0.048618 5.240804 0.052214 0.738716 0.006000
2426 A N H 600.00 2.394212 0.061236 5.318519 0.166774 0.739596 0.006600
2528 A N H 600.00 2.258569 0.108248 5.478561 0.169825 0.745979 0.006700
2629 A N H 600.00 2.318090 0.060405 5.538732 0.234513 0.741131 0.006300
2730 A N H 600.00 2.427728 0.067051 5.670367 0.101162 0.744979 0.006800
2831 A N H 600.00 2.314865 0.061249 5.904491 0.089700 0.756591 0.006700
2932 A N H 600.00 2.347548 0.026778 5.756781 0.185553 0.748231 0.006400
3033 A N H 600.00 2.440502 0.059345 5.624713 0.150215 0.743501 0.006600
3134 A N H 600.00 2.424620 0.017963 5.698812 0.033981 0.744645 0.006400
3236 A N H 600.00 2.268823 0.048707 5.619221 0.142841 0.768832 0.005700
3337 A N H 600.00 2.222246 0.018745 5.052502 0.068093 0.726275 0.007100
3438 A N H 600.00 2.282481 0.014824 5.174865 0.032382 0.719973 0.006900
35*39 A N H 600.00 2.284874 0.016642 5.760895 0.023821 0.706884 0.007200
3640 A N H 600.00 1.995487 0.011954 4.692259 0.021101 0.588812 0.006000
37*41 A N H 600.00 1.719968 0.024398 3.546396 0.013485 0.430832 0.004700
3842 A N H 600.00 2.282247 0.019996 4.982483 0.110406 0.716769 0.008500
3943 A N H 600.00 2.360944 0.022762 5.211989 0.086190 0.713592 0.008400
4044 A N H 600.00 2.375163 0.022938 5.052726 0.028314 0.705782 0.007900
4145 A N H 600.00 2.252315 0.017494 4.746284 0.022002 0.731454 0.007700
4246 A N H 600.00 2.365126 0.039194 4.853768 0.077023 0.724104 0.008300
4347 A N H 600.00 2.211021 0.014201 4.696073 0.023246 0.711069 0.005900
4448 A N H 600.00 2.119988 0.011107 4.750203 0.018057 0.703754 0.005300
45*49 A N H 600.00 2.213201 0.020397 4.861500 0.024421 0.755170 0.008600
4650 A N H 600.00 2.381413 0.022904 5.068613 0.024065 0.708986 0.006900
4751 A N H 600.00 2.317814 0.028490 4.908614 0.060903 0.715693 0.008900
48*52 A N H 600.00 2.372712 0.042221 5.218254 0.189158 0.738185 0.010600
4953 A N H 600.00 2.329577 0.031919 4.991816 0.059464 0.719014 0.008600
5054 A N H 600.00 2.417804 0.021272 5.173883 0.038212 0.697796 0.009000
5155 A N H 600.00 2.323677 0.058305 5.001800 0.034659 0.715022 0.009300
52*56 A N H 600.00 2.336951 0.016484 5.171884 0.022837 0.683757 0.007200
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