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REMARK Molecular Alignment Simulation.

REMARK Simulation parameters.

DATA PALES_MODE STERIC

DATA PALES LC_TYPE wall DATA PALES LC_CONCENTRATION 0.050 DATA PALES ORIENT_SPHERE 100 DATA PALES ORIENT_PSI 18 DATA PALES GRID_SPACING 0.200 DATA PALES MODEL_RADIUS 20.000 DATA PALES LC_ORDER 0.800 DATA PALES ATOM_RADIUS 0.000 DATA PALES SEL_SIMPLE_FLAG 0 DATA PALES SURF_FLAG 1

REMARK Order matrix.

DATA SAUPE 4.2576e-04 8.7422e-04 -1.9599e-04 7.0604e-04 -2.3539e-04

DATA IRREDUCIBLE REPRESENTATION (A0,A1R,A1I,A2R,A2I) 1.4527e+01 -1.9670e+01 -6.5579e+00 1.2178e+01 5.4603e+00 DATA IRREDUCIBLE GENERAL_MAGNITUDE 3.7777e+01

REMARK Eigensystem & Euler angles for clockwise rotation about z, y', z.

DATA EIGENVALUES (Axx,Ayy,Azz) -3.8808e-04 -7.0394e-04 1.0920e-03 DATA EIGENVECTORS DATA EIGENVECTORS XAXIS 7.5792e-01 1.8876e-02 -6.5207e-01 DATA EIGENVECTORS YAXIS 9.8850e-02 9.8472e-01 1.4340e-01 DATA EIGENVECTORS ZAXIS 6.4481e-01 -1.7314e-01 7.4447e-01

DATA Q_EULER_SOLUTIONS ALPHA BETA GAMMA DATA Q_EULER_ANGLES 1 167.60 41.89 195.03 DATA Q_EULER_ANGLES 2 347.60 41.89 195.03 DATA Q_EULER_ANGLES 3 12.40 138.11 15.03 DATA Q_EULER_ANGLES 4 192.40 138.11 15.03

REMARK Euler angles (psi/theta/phi) for rotation about x, y, z.

DATA EULER_SOLUTIONS 2 DATA EULER_ANGLES -13.09 -40.15 7.43 DATA EULER_ANGLES 166.91 220.15 187.43

DATA Da 5.460104e-04 DATA Dr 1.052881e-04

REMARK Dipolar couplings.

DATA N 204 DATA RMS 23.350 DATA Chi2 111227.539 DATA CORR R 0.000 DATA CORNILESCU Q 0.000 DATA REGRESSION OFFSET nan +/- nan [Hz] DATA REGRESSION SLOPE nan +/- nan [Hz] DATA REGRESSION BAX SLOPE 0.000 +/- 0.000 [Hz]

VARS RESID_I RESNAME_I ATOMNAME_I RESID_J RESNAME_J ATOMNAME_J DI D_OBS D D_DIFF DD W FORMAT %4d %4s %4s %4d %4s %4s %9.2f %9.3f %9.3f %9.3f %.2f %.2f

• 1 DC C6 1 DC H6 48034.72 0.0000 -13.0777 13.0777 1.0000 1.00 2 DG C8 2 DG H8 47935.51 0.0000 -18.1723 18.1723 1.0000 1.00 3 DC C6 3 DC H6 48003.32 0.0000 -14.5739 14.5739 1.0000 1.00 4 DA C8 4 DA H8 48019.80 0.0000 8.5285 -8.5285 1.0000 1.00 5 DC C6 5 DC H6 47905.83 0.0000 44.3661 -44.3661 1.0000 1.00 6 DG C8 6 DG H8 47923.18 0.0000 49.2634 -49.2634 1.0000 1.00 7 DT C6 7 DT H6 47987.81 0.0000 3.1808 -3.1808 1.0000 1.00 8 DA C8 8 DA H8 47962.53 0.0000 -23.0739 23.0739 1.0000 1.00 9 DC C6 9 DC H6 48011.41 0.0000 -19.3974 19.3974 1.0000 1.00

• 10 DG C8 10 DG H8 47952.43 0.0000 -5.5175 5.5175 1.0000 1.00 11 DC C6 11 DC H6 47975.36 0.0000 28.5141 -28.5141 1.0000 1.00 12 DG C8 12 DG H8 47989.86 0.0000 19.3519 -19.3519 1.0000 1.00 13 DC C6 13 DC H6 47984.04 0.0000 -20.1162 20.1162 1.0000 1.00 14 DG C8 14 DG H8 47922.48 0.0000 16.7200 -16.7200 1.0000 1.00 15 DC C6 15 DC H6 48011.71 0.0000 18.4095 -18.4095 1.0000 1.00 16 DG C8 16 DG H8 47883.14 0.0000 -6.5866 6.5866 1.0000 1.00 17 DT C6 17 DT H6 47896.27 0.0000 -32.0341 32.0341 1.0000 1.00 18 DA C8 18 DA H8 47950.29 0.0000 -20.2824 20.2824 1.0000 1.00 19 DC C6 19 DC H6 47985.25 0.0000 16.5687 -16.5687 1.0000 1.00 20 DG C8 20 DG H8 47942.03 0.0000 50.0871 -50.0871 1.0000 1.00 21 DT C6 21 DT H6 47985.55 0.0000 27.4519 -27.4519 1.0000 1.00 22 DG C8 22 DG H8 48034.02 0.0000 0.1400 -0.1400 1.0000 1.00 23 DC C6 23 DC H6 47981.99 0.0000 -23.8438 23.8438 1.0000 1.00 24 DG C8 24 DG H8 47900.84 0.0000 -15.5709 15.5709 1.0000 1.00
  • 1 DC C5 1 DC H5 47918.23 0.0000 -5.2517 5.2517 1.0000 1.00 3 DC C5 3 DC H5 47889.37 0.0000 10.9592 -10.9592 1.0000 1.00 5 DC C5 5 DC H5 47948.18 0.0000 -26.5440 26.5440 1.0000 1.00 9 DC C5 9 DC H5 48105.39 0.0000 -3.7114 3.7114 1.0000 1.00
  11 DC C5 11 DC H5 48007.43 0.0000 -26.2035 26.2035 1.0000 1.00 13 DC C5 13 DC H5 47860.52 0.0000 -0.8109 0.8109 1.0000 1.00 15 DC C5 15 DC H5 47890.40 0.0000 6.9953 -6.9953 1.0000 1.00 19 DC C5 19 DC H5 48032.95 0.0000 -29.4635 29.4635 1.0000 1.00 23 DC C5 23 DC H5 47949.05 0.0000 25.8265 -25.8265 1.0000 1.00
  • 4 DA C2 4 DA H2 47963.97 0.0000 -22.2942 22.2942 1.0000 1.00 8 DA C2 8 DA H2 48032.10 0.0000 15.6144 -15.6144 1.0000 1.00
  18 DA C2 18 DA H2 47963.04 0.0000 -22.2331 22.2331 1.0000 1.00
  • 1 DC C1' 1 DC H1' 46678.34 0.0000 -24.0873 24.0873 1.0000 1.00 2 DG C1' 2 DG H1' 46607.04 0.0000 36.5069 -36.5069 1.0000 1.00 3 DC C1' 3 DC H1' 46612.36 0.0000 2.7156 -2.7156 1.0000 1.00 4 DA C1' 4 DA H1' 46538.55 0.0000 -27.8184 27.8184 1.0000 1.00 5 DC C1' 5 DC H1' 46567.89 0.0000 -13.2531 13.2531 1.0000 1.00 6 DG C1' 6 DG H1' 46677.38 0.0000 26.9539 -26.9539 1.0000 1.00 7 DT C1' 7 DT H1' 46680.67 0.0000 50.5952 -50.5952 1.0000 1.00 8 DA C1' 8 DA H1' 46682.11 0.0000 22.0260 -22.0260 1.0000 1.00 9 DC C1' 9 DC H1' 46577.24 0.0000 -21.5641 21.5641 1.0000 1.00
  10 DG C1' 10 DG H1' 46638.79 0.0000 -19.3871 19.3871 1.0000 1.00 11 DC C1' 11 DC H1' 46733.75 0.0000 -20.5240 20.5240 1.0000 1.00 12 DG C1' 12 DG H1' 46649.77 0.0000 42.6278 -42.6278 1.0000 1.00 13 DC C1' 13 DC H1' 46687.34 0.0000 -31.5306 31.5306 1.0000 1.00 14 DG C1' 14 DG H1' 46588.79 0.0000 -10.2085 10.2085 1.0000 1.00 15 DC C1' 15 DC H1' 46706.29 0.0000 17.5348 -17.5348 1.0000 1.00 16 DG C1' 16 DG H1' 46549.16 0.0000 39.4927 -39.4927 1.0000 1.00 17 DT C1' 17 DT H1' 46734.80 0.0000 12.9308 -12.9308 1.0000 1.00 18 DA C1' 18 DA H1' 46602.57 0.0000 -32.1779 32.1779 1.0000 1.00 19 DC C1' 19 DC H1' 46620.64 0.0000 -22.6075 22.6075 1.0000 1.00 20 DG C1' 20 DG H1' 46631.06 0.0000 9.1467 -9.1467 1.0000 1.00 21 DT C1' 21 DT H1' 46646.71 0.0000 41.6149 -41.6149 1.0000 1.00 22 DG C1' 22 DG H1' 46717.27 0.0000 22.2796 -22.2796 1.0000 1.00 23 DC C1' 23 DC H1' 46618.82 0.0000 1.9396 -1.9396 1.0000 1.00 24 DG C1' 24 DG H1' 46690.14 0.0000 -32.5276 32.5276 1.0000 1.00
  • 1 DC C2' 1 DC 1H2' 46614.33 0.0000 -1.8716 1.8716 1.0000 1.00 2 DG C2' 2 DG 1H2' 46620.42 0.0000 34.3554 -34.3554 1.0000 1.00 3 DC C2' 3 DC 1H2' 46588.53 0.0000 -17.5063 17.5063 1.0000 1.00 4 DA C2' 4 DA 1H2' 46655.97 0.0000 -15.7506 15.7506 1.0000 1.00 5 DC C2' 5 DC 1H2' 46552.43 0.0000 -18.2820 18.2820 1.0000 1.00 6 DG C2' 6 DG 1H2' 46727.87 0.0000 15.0926 -15.0926 1.0000 1.00 7 DT C2' 7 DT 1H2' 46553.44 0.0000 48.9890 -48.9890 1.0000 1.00 8 DA C2' 8 DA 1H2' 46688.87 0.0000 34.8586 -34.8586 1.0000 1.00 9 DC C2' 9 DC 1H2' 46641.70 0.0000 -0.8779 0.8779 1.0000 1.00
  10 DG C2' 10 DG 1H2' 46604.23 0.0000 -15.9395 15.9395 1.0000 1.00 11 DC C2' 11 DC 1H2' 46536.85 0.0000 -22.9918 22.9918 1.0000 1.00 12 DG C2' 12 DG 1H2' 46673.59 0.0000 42.4215 -42.4215 1.0000 1.00 13 DC C2' 13 DC 1H2' 46644.80 0.0000 -30.1579 30.1579 1.0000 1.00 14 DG C2' 14 DG 1H2' 46666.69 0.0000 -22.9781 22.9781 1.0000 1.00 15 DC C2' 15 DC 1H2' 46725.28 0.0000 -17.7358 17.7358 1.0000 1.00 16 DG C2' 16 DG 1H2' 46655.08 0.0000 21.5235 -21.5235 1.0000 1.00 17 DT C2' 17 DT 1H2' 46688.56 0.0000 13.7654 -13.7654 1.0000 1.00 18 DA C2' 18 DA 1H2' 46662.86 0.0000 -26.6324 26.6324 1.0000 1.00 19 DC C2' 19 DC 1H2' 46599.68 0.0000 -23.9353 23.9353 1.0000 1.00 20 DG C2' 20 DG 1H2' 46652.71 0.0000 -18.6270 18.6270 1.0000 1.00 21 DT C2' 21 DT 1H2' 46695.61 0.0000 38.0929 -38.0929 1.0000 1.00 22 DG C2' 22 DG 1H2' 46627.51 0.0000 42.5315 -42.5315 1.0000 1.00 23 DC C2' 23 DC 1H2' 46622.37 0.0000 27.0295 -27.0295 1.0000 1.00 24 DG C2' 24 DG 1H2' 46757.21 0.0000 -31.8798 31.8798 1.0000 1.00
  • 1 DC C2' 1 DC 2H2' 46727.61 0.0000 17.0814 -17.0814 1.0000 1.00 2 DG C2' 2 DG 2H2' 46730.74 0.0000 3.5882 -3.5882 1.0000 1.00 3 DC C2' 3 DC 2H2' 46678.76 0.0000 -29.6546 29.6546 1.0000 1.00 4 DA C2' 4 DA 2H2' 46623.77 0.0000 -32.0720 32.0720 1.0000 1.00 5 DC C2' 5 DC 2H2' 46727.52 0.0000 -18.9770 18.9770 1.0000 1.00 6 DG C2' 6 DG 2H2' 46637.30 0.0000 -18.9610 18.9610 1.0000 1.00 7 DT C2' 7 DT 2H2' 46718.25 0.0000 -1.5252 1.5252 1.0000 1.00 8 DA C2' 8 DA 2H2' 46675.42 0.0000 -3.8332 3.8332 1.0000 1.00 9 DC C2' 9 DC 2H2' 46661.56 0.0000 -17.9823 17.9823 1.0000 1.00
  10 DG C2' 10 DG 2H2' 46583.82 0.0000 9.6197 -9.6197 1.0000 1.00 11 DC C2' 11 DC 2H2' 46587.41 0.0000 28.8337 -28.8337 1.0000 1.00 12 DG C2' 12 DG 2H2' 46564.12 0.0000 9.9391 -9.9391 1.0000 1.00 13 DC C2' 13 DC 2H2' 46708.62 0.0000 11.4080 -11.4080 1.0000 1.00 14 DG C2' 14 DG 2H2' 46545.30 0.0000 -2.2613 2.2613 1.0000 1.00 15 DC C2' 15 DC 2H2' 46711.34 0.0000 31.0643 -31.0643 1.0000 1.00 16 DG C2' 16 DG 2H2' 46614.62 0.0000 26.2774 -26.2774 1.0000 1.00 17 DT C2' 17 DT 2H2' 46627.40 0.0000 9.0513 -9.0513 1.0000 1.00 18 DA C2' 18 DA 2H2' 46565.66 0.0000 -13.8747 13.8747 1.0000 1.00 19 DC C2' 19 DC 2H2' 46681.01 0.0000 -22.1716 22.1716 1.0000 1.00 20 DG C2' 20 DG 2H2' 46658.24 0.0000 -13.4434 13.4434 1.0000 1.00 21 DT C2' 21 DT 2H2' 46625.14 0.0000 -8.2833 8.2833 1.0000 1.00 22 DG C2' 22 DG 2H2' 46617.89 0.0000 -27.0175 27.0175 1.0000 1.00 23 DC C2' 23 DC 2H2' 46625.43 0.0000 -6.2558 6.2558 1.0000 1.00 24 DG C2' 24 DG 2H2' 46678.48 0.0000 -3.6492 3.6492 1.0000 1.00
  • 1 DC C3' 1 DC H3' 46711.03 0.0000 -27.3501 27.3501 1.0000 1.00 2 DG C3' 2 DG H3' 46589.89 0.0000 -16.4355 16.4355 1.0000 1.00 3 DC C3' 3 DC H3' 46630.14 0.0000 -12.8839 12.8839 1.0000 1.00 4 DA C3' 4 DA H3' 46552.02 0.0000 -1.9470 1.9470 1.0000 1.00 5 DC C3' 5 DC H3' 46628.75 0.0000 40.4405 -40.4405 1.0000 1.00 6 DG C3' 6 DG H3' 46671.91 0.0000 49.5637 -49.5637 1.0000 1.00 7 DT C3' 7 DT H3' 46701.99 0.0000 13.0959 -13.0959 1.0000 1.00 8 DA C3' 8 DA H3' 46768.04 0.0000 -8.3106 8.3106 1.0000 1.00 9 DC C3' 9 DC H3' 46680.47 0.0000 -31.3006 31.3006 1.0000 1.00
  10 DG C3' 10 DG H3' 46726.38 0.0000 -3.8781 3.8781 1.0000 1.00 11 DC C3' 11 DC H3' 46690.12 0.0000 1.0762 -1.0762 1.0000 1.00 12 DG C3' 12 DG H3' 46620.00 0.0000 8.0789 -8.0789 1.0000 1.00 13 DC C3' 13 DC H3' 46660.29 0.0000 -6.6952 6.6952 1.0000 1.00 14 DG C3' 14 DG H3' 46612.28 0.0000 -3.2914 3.2914 1.0000 1.00 15 DC C3' 15 DC H3' 46706.95 0.0000 16.7559 -16.7559 1.0000 1.00 16 DG C3' 16 DG H3' 46686.25 0.0000 -11.9232 11.9232 1.0000 1.00 17 DT C3' 17 DT H3' 46695.06 0.0000 -30.0259 30.0259 1.0000 1.00 18 DA C3' 18 DA H3' 46639.35 0.0000 -13.0623 13.0623 1.0000 1.00 19 DC C3' 19 DC H3' 46538.62 0.0000 14.8239 -14.8239 1.0000 1.00 20 DG C3' 20 DG H3' 46598.48 0.0000 40.6086 -40.6086 1.0000 1.00 21 DT C3' 21 DT H3' 46666.58 0.0000 39.7183 -39.7183 1.0000 1.00 22 DG C3' 22 DG H3' 46644.66 0.0000 -7.8843 7.8843 1.0000 1.00 23 DC C3' 23 DC H3' 46672.36 0.0000 -15.6135 15.6135 1.0000 1.00 24 DG C3' 24 DG H3' 46643.85 0.0000 15.6607 -15.6607 1.0000 1.00
  • 1 DC C4' 1 DC H4' 46660.84 0.0000 0.7914 -0.7914 1.0000 1.00 2 DG C4' 2 DG H4' 46704.86 0.0000 -22.0625 22.0625 1.0000 1.00 3 DC C4' 3 DC H4' 46596.43 0.0000 7.6047 -7.6047 1.0000 1.00 4 DA C4' 4 DA H4' 46659.06 0.0000 7.5683 -7.5683 1.0000 1.00 5 DC C4' 5 DC H4' 46730.51 0.0000 -23.6826 23.6826 1.0000 1.00 6 DG C4' 6 DG H4' 46699.70 0.0000 -20.2128 20.2128 1.0000 1.00 7 DT C4' 7 DT H4' 46698.63 0.0000 43.7326 -43.7326 1.0000 1.00 8 DA C4' 8 DA H4' 46567.85 0.0000 27.3535 -27.3535 1.0000 1.00 9 DC C4' 9 DC H4' 46708.69 0.0000 24.4165 -24.4165 1.0000 1.00
  10 DG C4' 10 DG H4' 46601.06 0.0000 -29.8615 29.8615 1.0000 1.00 11 DC C4' 11 DC H4' 46596.84 0.0000 -25.0758 25.0758 1.0000 1.00 12 DG C4' 12 DG H4' 46644.95 0.0000 1.9614 -1.9614 1.0000 1.00 13 DC C4' 13 DC H4' 46619.88 0.0000 -23.5206 23.5206 1.0000 1.00 14 DG C4' 14 DG H4' 46663.60 0.0000 6.1405 -6.1405 1.0000 1.00 15 DC C4' 15 DC H4' 46601.46 0.0000 6.4856 -6.4856 1.0000 1.00 16 DG C4' 16 DG H4' 46621.27 0.0000 -7.1985 7.1985 1.0000 1.00 17 DT C4' 17 DT H4' 46576.48 0.0000 14.1346 -14.1346 1.0000 1.00 18 DA C4' 18 DA H4' 46672.06 0.0000 -16.4342 16.4342 1.0000 1.00 19 DC C4' 19 DC H4' 46707.55 0.0000 -26.6735 26.6735 1.0000 1.00 20 DG C4' 20 DG H4' 46666.92 0.0000 -15.2722 15.2722 1.0000 1.00 21 DT C4' 21 DT H4' 46605.06 0.0000 9.1372 -9.1372 1.0000 1.00 22 DG C4' 22 DG H4' 46661.79 0.0000 42.8112 -42.8112 1.0000 1.00 23 DC C4' 23 DC H4' 46720.48 0.0000 23.1455 -23.1455 1.0000 1.00 24 DG C4' 24 DG H4' 46703.96 0.0000 -16.2037 16.2037 1.0000 1.00
  • 1 DC C5' 1 DC 1H5' 46647.08 0.0000 31.9693 -31.9693 1.0000 1.00 2 DG C5' 2 DG 1H5' 46667.49 0.0000 -16.6545 16.6545 1.0000 1.00 3 DC C5' 3 DC 1H5' 46590.52 0.0000 -9.7718 9.7718 1.0000 1.00 4 DA C5' 4 DA 1H5' 46569.33 0.0000 -15.3518 15.3518 1.0000 1.00 5 DC C5' 5 DC 1H5' 46642.15 0.0000 -5.4502 5.4502 1.0000 1.00 6 DG C5' 6 DG 1H5' 46573.20 0.0000 -24.3920 24.3920 1.0000 1.00 7 DT C5' 7 DT 1H5' 46658.29 0.0000 -22.6218 22.6218 1.0000 1.00 8 DA C5' 8 DA 1H5' 46562.72 0.0000 -16.8916 16.8916 1.0000 1.00 9 DC C5' 9 DC 1H5' 46634.49 0.0000 -23.5610 23.5610 1.0000 1.00
  10 DG C5' 10 DG 1H5' 46586.50 0.0000 -16.5543 16.5543 1.0000 1.00 11 DC C5' 11 DC 1H5' 46574.59 0.0000 -6.9404 6.9404 1.0000 1.00 12 DG C5' 12 DG 1H5' 46770.08 0.0000 -11.6388 11.6388 1.0000 1.00 13 DC C5' 13 DC 1H5' 46695.15 0.0000 -10.8270 10.8270 1.0000 1.00 14 DG C5' 14 DG 1H5' 46689.21 0.0000 -26.6802 26.6802 1.0000 1.00 15 DC C5' 15 DC 1H5' 46710.30 0.0000 -20.5535 20.5535 1.0000 1.00 16 DG C5' 16 DG 1H5' 46677.35 0.0000 -7.7568 7.7568 1.0000 1.00 17 DT C5' 17 DT 1H5' 46667.90 0.0000 0.7330 -0.7330 1.0000 1.00 18 DA C5' 18 DA 1H5' 46713.38 0.0000 2.6656 -2.6656 1.0000 1.00 19 DC C5' 19 DC 1H5' 46653.14 0.0000 -9.9041 9.9041 1.0000 1.00 20 DG C5' 20 DG 1H5' 46653.57 0.0000 -5.8476 5.8476 1.0000 1.00 21 DT C5' 21 DT 1H5' 46524.77 0.0000 -18.7257 18.7257 1.0000 1.00 22 DG C5' 22 DG 1H5' 46572.84 0.0000 -19.7295 19.7295 1.0000 1.00 23 DC C5' 23 DC 1H5' 46562.55 0.0000 -24.1350 24.1350 1.0000 1.00 24 DG C5' 24 DG 1H5' 46616.07 0.0000 -17.9539 17.9539 1.0000 1.00
  • 1 DC C5' 1 DC 2H5' 46731.02 0.0000 -25.8512 25.8512 1.0000 1.00 2 DG C5' 2 DG 2H5' 46698.32 0.0000 -11.5298 11.5298 1.0000 1.00 3 DC C5' 3 DC 2H5' 46656.72 0.0000 40.4805 -40.4805 1.0000 1.00 4 DA C5' 4 DA 2H5' 46706.19 0.0000 49.8524 -49.8524 1.0000 1.00 5 DC C5' 5 DC 2H5' 46592.44 0.0000 16.8546 -16.8546 1.0000 1.00 6 DG C5' 6 DG 2H5' 46781.54 0.0000 -0.2777 0.2777 1.0000 1.00 7 DT C5' 7 DT 2H5' 46714.99 0.0000 -24.5367 24.5367 1.0000 1.00 8 DA C5' 8 DA 2H5' 46681.64 0.0000 21.0940 -21.0940 1.0000 1.00 9 DC C5' 9 DC 2H5' 46620.64 0.0000 32.0182 -32.0182 1.0000 1.00
  10 DG C5' 10 DG 2H5' 46670.44 0.0000 22.6234 -22.6234 1.0000 1.00 11 DC C5' 11 DC 2H5' 46621.38 0.0000 14.5520 -14.5520 1.0000 1.00 12 DG C5' 12 DG 2H5' 46662.86 0.0000 -30.4310 30.4310 1.0000 1.00 13 DC C5' 13 DC 2H5' 46723.88 0.0000 13.8819 -13.8819 1.0000 1.00 14 DG C5' 14 DG 2H5' 46636.35 0.0000 45.2923 -45.2923 1.0000 1.00 15 DC C5' 15 DC 2H5' 46616.35 0.0000 -29.0932 29.0932 1.0000 1.00 16 DG C5' 16 DG 2H5' 46670.20 0.0000 -30.7160 30.7160 1.0000 1.00 17 DT C5' 17 DT 2H5' 46749.46 0.0000 14.6032 -14.6032 1.0000 1.00 18 DA C5' 18 DA 2H5' 46629.32 0.0000 36.5291 -36.5291 1.0000 1.00 19 DC C5' 19 DC 2H5' 46700.12 0.0000 28.1904 -28.1904 1.0000 1.00 20 DG C5' 20 DG 2H5' 46651.81 0.0000 -14.4819 14.4819 1.0000 1.00 21 DT C5' 21 DT 2H5' 46711.25 0.0000 -30.1249 30.1249 1.0000 1.00 22 DG C5' 22 DG 2H5' 46687.96 0.0000 -11.8919 11.8919 1.0000 1.00 23 DC C5' 23 DC 2H5' 46668.42 0.0000 31.8699 -31.8699 1.0000 1.00 24 DG C5' 24 DG 2H5' 46613.90 0.0000 38.0481 -38.0481 1.0000 1.00