0.52 11 4.1 0.19 0 0.0 0.01 0 1.6 0.08 0 10.0 1.85 14 0.53 9 4.2 0.18 0 0.1 0.05 0 1.6 0.14 0 10.6 1.81 15 0.54 14 4.0 0.23 0 0.0 0.00 0 1.3 0.14 0 5.8 0.78 16 0.55 8 4.3 0.24 0 0.2 0.07 0 1.5 0.10 0 10.5 1.29 17 0.57 13 4.5 0.18 0 0.0 0.02 0 1.4 0.14 1 7.4 2.10 18 0.57 9 4.0 0.27 0 0.1 0.02 0 1.7 0.13 0 10.2 1.83 19 0.58 11 4.5 0.18 0 0.0 0.03 0 1.7 0.14 0 12.6 1.90 20 0.60 13 4.3 0.18 0 0.1 0.04 0 1.8 0.15 0 10.1 1.73 Ave 0.49 10 4.0 0.19 0 0.1 0.02 0 1.4 0.13 0 9.1 1.60 +/- 6.01E-02 2 0.3 0.02 0 0.0 0.02 0 0.2 0.02 0 1.8 0.59 Min 0.41 5 3.4 0.18 0 0.0 0.00 0 1.1 0.08 0 5.8 0.78 Max 0.60 14 4.5 0.27 0 0.2 0.07 0 1.8 0.17 1 12.6 3.26 Overview file "sdf1a.ovw" written. DG coordinate file "sdf1a.cor" written, 20 conformers. - csdf1a: ramachandran file=rama nobackground label Struct fav add gen dis ------ --- --- --- --- 1 49 11 2 0 2 44 15 3 0 3 44 12 5 1 (SER 6) 4 47 13 2 0 5 49 11 2 0 6 47 13 1 1 (LEU 36) 7 46 14 2 0 8 45 15 2 0 9 44 15 2 1 (CYSS 9) 10 46 13 2 1 (CYSS 9) 11 46 16 0 0 12 46 13 2 1 (ALA 35) 13 45 11 5 1 (ARG+ 12) 14 46 14 1 1 (SER 6) 15 48 10 3 1 (CYSS 9) 16 42 16 1 3 (TYR 7, CYSS 9, ALA 35) 17 48 12 2 0 18 46 12 3 1 (SER 4) 19 45 14 2 1 (CYSS 9) 20 44 14 2 2 (CYSS 9, ALA 35) all 74% 21% 4% 1% Postscript file "rama.ps" written. cyana> # Number of dimensions 3 #INAME 1 1H #INAME 2 1H #INAME 3 13C 6 1.553 1.557 25.042 1 U 5.788e+05 0.00e+00 m 0 989 989 988 0 8 0.783 0.783 25.366 1 U 1.308e+06 0.00e+00 m 0 616 616 621 0 11 1.373 1.377 24.819 1 U 1.590e+06 0.00e+00 m 0 1225 1225 1222 0 12 0.823 0.828 25.366 1 U -2.847e+06 0.00e+00 m 0 91 91 83 0 15 1.292 1.296 24.761 1 U 1.181e+06 0.00e+00 m 0 475 475 472 0 18 1.490 1.494 25.042 1 U 6.684e+05 0.00e+00 m 0 990 990 988 0 21 1.131 1.135 24.674 1 U 2.523e+05 0.00e+00 m 0 413 413 410 0 24 0.768 0.783 24.072 1 U 2.641e+06 0.00e+00 m 0 527 527 519 0 26 1.281 1.285 65.552 4 U 9.279e+05 0.00e+00 m 0 0 0 0 0 30 0.840 0.844 65.275 4 U -1.926e+06 0.00e+00 m 0 0 0 0 0 31 1.275 1.279 23.800 1 U 1.320e+06 0.00e+00 m 0 688 688 689 0 38 4.288 4.292 23.425 1 U -3.342e+05 0.00e+00 m 0 166 166 165 0 45 0.150 0.154 64.922 4 U 5.800e+01 0.00e+00 m 0 0 0 0 0 47 3.799 3.803 64.797 4 U -3.036e+04 0.00e+00 m 0 0 0 0 0 48 0.977 0.981 23.386 1 U 2.528e+06 0.00e+00 m 0 969 969 974 0 49 3.850 3.854 64.666 4 U -5.934e+05 0.00e+00 m 0 0 0 0 0 50 3.798 3.802 64.531 4 U -4.093e+05 0.00e+00 m 0 0 0 0 0 51 4.221 4.225 64.445 1 U -2.283e+05 0.00e+00 m 0 559 559 558 0 52 0.757 0.761 22.981 1 U 1.664e+06 0.00e+00 m 0 733 733 738 0 53 0.990 0.994 64.325 4 U 5.187e+04 0.00e+00 m 0 0 0 0 0 54 0.812 0.816 64.265 4 U 6.623e+05 0.00e+00 m 0 0 0 0 0 55 4.817 4.821 64.174 4 U -9.970e+02 0.00e+00 m 0 0 0 0 0 56 4.754 4.758 64.205 4 U -5.400e+02 0.00e+00 m 0 0 0 0 0 57 3.823 3.827 64.171 3 U 2.315e+06 0.00e+00 m 0 68 68 65 0 58 3.644 3.648 64.177 4 U -2.465e+05 0.00e+00 m 0 0 0 0 0 60 1.238 1.242 64.039 3 U 3.178e+05 0.00e+00 m 0 549 549 551 0 62 0.781 0.785 63.948 4 U -1.265e+06 0.00e+00 m 0 0 0 0 0 66 1.240 1.244 63.714 1 U -1.452e+06 0.00e+00 m 0 549 549 551 0 67 0.897 0.901 63.709 4 U -1.064e+05 0.00e+00 m 0 0 0 0 0 68 0.950 0.954 63.684 4 U -2.593e+04 0.00e+00 m 0 0 0 0 0 69 0.842 0.846 63.662 3 U 1.704e+06 0.00e+00 m 0 400 400 392 0 70 4.007 4.011 63.546 1 U 2.741e+05 0.00e+00 m 0 919 919 918 0 71 4.418 4.422 63.494 1 U 4.959e+05 0.00e+00 m 0 30 30 29 0 74 1.221 1.225 63.254 4 U -1.738e+05 0.00e+00 m 0 0 0 0 0 75 0.865 0.869 63.264 1 U 7.164e+05 0.00e+00 m 0 320 320 312 0 76 0.482 0.486 63.247 4 U -1.065e+03 0.00e+00 m 0 0 0 0 0 77 4.789 4.793 63.209 4 U -2.220e+02 0.00e+00 m 0 0 0 0 0 78 4.739 4.743 63.158 4 U -7.480e+02 0.00e+00 m 0 0 0 0 0 79 4.428 4.432 63.167 3 U 1.200e+06 0.00e+00 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0 0 0 296 6.724 1.223 128.424 4 U 1.237e+03 0.00e+00 m 0 0 0 0 0 297 6.724 2.135 128.424 4 U 5.560e+02 0.00e+00 m 0 0 0 0 0 298 6.724 4.547 128.424 4 U 3.930e+02 0.00e+00 m 0 0 0 0 0 299 6.724 7.006 128.424 4 U 7.033e+03 0.00e+00 m 0 0 0 0 0 300 7.030 7.919 131.014 4 U 5.890e+02 0.00e+00 m 0 0 0 0 0 301 7.030 8.060 131.014 4 U 5.950e+02 0.00e+00 m 0 0 0 0 0 302 7.030 8.325 131.014 4 U 4.800e+02 0.00e+00 m 0 0 0 0 0 303 7.277 2.918 132.050 1 U 2.534e+03 0.00e+00 m 0 591 589 595 0 304 6.972 6.972 131.273 1 U 6.390e+04 0.00e+00 m 0 592 592 597 0 305 7.277 6.972 132.050 1 U 1.716e+04 0.00e+00 m 0 591 592 595 0 306 6.160 6.552 131.791 1 U 6.733e+03 0.00e+00 m 0 1452 1453 1456 0 307 6.160 5.065 131.791 4 U 7.760e+02 0.00e+00 m 0 0 0 0 0 308 6.160 2.989 131.791 3 U 9.680e+02 0.00e+00 m 0 118 0 123 0 309 6.160 2.761 131.791 3 U 1.002e+03 0.00e+00 m 0 1452 1629 1456 0 310 6.160 0.602 131.791 3 U 1.183e+03 0.00e+00 m 0 118 384 123 0 311 6.160 0.230 131.791 3 U 2.357e+03 0.00e+00 m 0 1452 1653 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