NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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20851 |
2gm0   |
7098 | cing | 1-original | 6 | MARDIGRAS/CORMA | peak |
# ## # # (3) Integrated intensities of NOE cross-peaks in D2O 2D NOESY datasets # # NOE cross-peaks were integrated with SPARKY with a Gaussian # line-fitting. Relative integration # error was determined by comparing the below- and above-the-diagonal # intensities, but in no case it was set below 20%. The intensities # below are not normalized. # # (3A) 15-ms dataset 600 MHz # HEADER prepared from 15.mardilist by mardi.in Fri Dec 16 18:20:13 2005 MIXING TIME: 0.015 ATOM1 ATOM2 INTENSITY ERROR Note 1H2' 1 H1' 1 2.392e+06 20.0 1H2' 1 H8 1 1.486e+06 20.0 1H2' 1 H8 2 1.962e+06 20.0 H3' 1 H8 2 9.788e+05 20.0 1H2' 2 H1' 2 2.612e+06 20.0 1H2' 2 H8 2 2.689e+05 20.0 1H2' 2 H6 3 1.575e+06 20.0 H1' 3 H2 2 8.978e+05 20.0 1H2' 4 H1' 4 1.381e+06 20.0 1H2' 4 H8 5 1.352e+06 20.0 1H2' 5 H1' 5 9.919e+05 20.0 H1' 5 H8 5 4.838e+05 20.0 1H2' 5 H6 6 1.390e+06 20.0 1H2' 6 H1' 6 1.820e+06 20.0 H5 6 H6 6 2.694e+06 20.0 1H2' 6 H5 7 4.664e+05 20.0 1H2' 6 H6 7 2.366e+06 20.0 H1' 6 H2 64 3.261e+05 20.0 Pk1: inter Pk2: inter H5 7 H6 7 2.602e+06 20.0 1H2' 7 H6 8 2.987e+06 20.0 1H2' 8 H1' 8 2.076e+06 20.0 1H2' 8 H8 9 2.825e+06 20.0 H1' 8 H2 62 4.981e+05 20.0 Pk1: inter Pk2: inter 1H2' 9 H1' 9 2.325e+06 20.0 1H2' 9 H6 10 4.846e+06 20.0 H1' 9 H2 61 6.317e+05 20.0 Pk1: inter Pk2: inter 1H2' 10 H1' 10 2.424e+06 20.0 H3' 10 H1' 10 3.307e+05 20.0 H3' 10 H6 10 1.357e+06 20.0 1H2' 10 H6 11 1.693e+06 20.0 1H2' 11 H1' 11 2.470e+06 20.0 1H2' 11 H8 12 2.798e+06 20.0 1H2' 12 H1' 12 2.541e+06 20.0 1H2' 12 H8 12 1.222e+06 20.0 H3' 12 H8 12 6.139e+05 20.0 H4' 12 H1' 12 9.561e+05 20.0 1H2' 12 H8 13 1.383e+06 20.0 H3' 12 H8 13 3.263e+05 20.0 1H2' 13 H8 13 1.111e+06 20.0 H1' 13 H2 13 2.084e+05 20.0 H1' 13 H8 13 3.420e+05 20.0 H3' 13 H1' 13 1.844e+05 20.0 H3' 13 H8 13 8.840e+05 20.0 H4' 13 H1' 13 3.371e+05 20.0 1H2' 13 H8 14 4.965e+05 20.0 H2 13 H1' 14 3.892e+05 20.0 1H2' 14 H1' 14 2.139e+06 20.0 1H2' 14 H8 14 2.372e+06 20.0 2H5' 14 H8 14 2.072e+05 20.0 H1' 14 H8 14 4.038e+05 20.0 H3' 14 H1' 14 2.127e+05 20.0 H4' 14 H1' 14 6.633e+05 20.0 1H2' 14 H8 15 8.932e+05 20.0 H1' 14 H8 15 2.467e+05 20.0 H1' 15 H2 14 2.728e+05 20.0 1H2' 15 H1' 15 2.105e+06 20.0 H1' 15 H8 15 2.648e+05 22.3 1H2' 15 H6 16 2.337e+06 20.0 H1' 15 H2 56 4.029e+05 20.0 Pk1: inter Pk2: inter 1H2' 16 H1' 16 2.213e+06 20.0 H5 16 H6 16 2.646e+06 20.0 1H2' 16 H8 17 6.582e+06 20.0 H1' 17 H8 17 4.726e+05 20.0 1H2' 17 H6 18 5.034e+06 20.0 H1' 18 H6 18 2.607e+05 20.0 H5 18 H6 18 2.467e+06 20.0 H1' 19 H8 19 1.306e+05 20.0 1H2' 20 H1' 20 2.282e+06 20.0 H5 20 H6 20 2.373e+06 20.0 1H2' 20 H8 21 2.375e+06 20.0 H1' 21 H8 21 2.784e+05 20.0 H4' 21 H1' 21 3.015e+05 20.0 H2 21 H1' 22 8.415e+05 20.0 1H2' 22 H1' 22 2.297e+06 20.0 1H2' 22 H1' 23 3.154e+05 20.0 1H2' 23 H1' 23 1.694e+06 20.0 H1' 23 H8 23 2.251e+05 28.2 1H2' 23 H8 24 2.735e+06 20.0 H1' 24 H8 24 2.345e+05 20.0 1H2' 24 H6 25 4.843e+06 20.0 H5 25 H6 25 2.469e+06 20.0 1H2' 25 H8 26 3.842e+06 20.0 1H2' 26 H1' 26 2.194e+06 20.0 H3' 26 H1' 26 3.800e+05 20.0 H8 26 H1' 26 4.589e+05 20.0 1H2' 26 H8 27 2.632e+06 20.0 H1' 26 H8 27 1.512e+05 20.0 H2 26 H1' 27 6.512e+05 20.0 H3' 26 H8 27 3.728e+05 20.0 1H2' 27 H1' 27 2.193e+06 20.0 H1' 27 H8 27 3.279e+05 20.0 1H2' 27 H8 28 2.198e+06 20.0 H2 27 H1' 28 7.978e+05 20.0 1H2' 28 H1' 28 1.945e+06 20.0 1H2' 28 H8 29 2.161e+06 20.0 1H2' 29 H1' 29 2.304e+06 20.0 H1' 29 H8 29 2.591e+05 20.0 H2 29 H1' 30 2.747e+05 20.0 1H2' 30 H1' 30 1.704e+06 20.0 1H2' 30 H8 30 5.326e+05 20.0 H1' 31 H8 31 9.597e+05 20.0 1H2' 31 H6 32 5.969e+05 20.0 H3' 31 H6 32 3.286e+05 20.0 1H2' 32 H1' 32 1.859e+06 20.0 1H2' 32 H8 33 5.474e+06 20.0 1H2' 33 H1' 33 1.544e+06 20.0 1H2' 33 H6 34 3.583e+06 20.0 1H2' 34 H1' 34 2.388e+06 20.0 H5 34 H6 34 2.485e+06 20.0 1H2' 34 H6 35 2.745e+06 20.0 H5 34 H5 35 2.518e+05 20.0 1H2' 35 H1' 35 2.449e+06 20.0 H3' 35 H1' 35 2.462e+05 20.0 H6 35 H5 35 2.103e+06 20.0 H1' 35 H2 37 4.099e+05 20.0 inter 1H2' 36 H1' 36 2.392e+06 20.0 1H2' 36 H8 36 1.486e+06 20.0 1H2' 36 H8 37 1.962e+06 20.0 H3' 36 H8 37 9.788e+05 20.0 1H2' 37 H1' 37 2.612e+06 20.0 1H2' 37 H8 37 2.689e+05 20.0 1H2' 37 H6 38 1.575e+06 20.0 H1' 38 H2 37 8.978e+05 20.0 1H2' 39 H1' 39 1.381e+06 20.0 1H2' 39 H8 40 1.352e+06 20.0 1H2' 40 H1' 40 9.919e+05 20.0 H1' 40 H8 40 4.838e+05 20.0 1H2' 40 H6 41 1.390e+06 20.0 H1' 41 H2 29 3.261e+05 20.0 Pk1: inter Pk2: inter 1H2' 41 H1' 41 1.820e+06 20.0 H5 41 H6 41 2.694e+06 20.0 1H2' 41 H5 42 4.664e+05 20.0 1H2' 41 H6 42 2.366e+06 20.0 H5 42 H6 42 2.602e+06 20.0 1H2' 42 H6 43 2.987e+06 20.0 H1' 43 H2 27 4.981e+05 20.0 Pk1: inter Pk2: inter 1H2' 43 H1' 43 2.076e+06 20.0 1H2' 43 H8 44 2.825e+06 20.0 H1' 44 H2 26 6.317e+05 20.0 Pk1: inter Pk2: inter 1H2' 44 H1' 44 2.325e+06 20.0 1H2' 44 H6 45 4.846e+06 20.0 1H2' 45 H1' 45 2.424e+06 20.0 H3' 45 H1' 45 3.307e+05 20.0 H3' 45 H6 45 1.357e+06 20.0 1H2' 45 H6 46 1.693e+06 20.0 1H2' 46 H1' 46 2.470e+06 20.0 1H2' 46 H8 47 2.798e+06 20.0 1H2' 47 H1' 47 2.541e+06 20.0 1H2' 47 H8 47 1.222e+06 20.0 H3' 47 H8 47 6.139e+05 20.0 H4' 47 H1' 47 9.561e+05 20.0 1H2' 47 H8 48 1.383e+06 20.0 H3' 47 H8 48 3.263e+05 20.0 1H2' 48 H8 48 1.111e+06 20.0 H1' 48 H2 48 2.084e+05 20.0 H1' 48 H8 48 3.420e+05 20.0 H3' 48 H1' 48 1.844e+05 20.0 H3' 48 H8 48 8.840e+05 20.0 H4' 48 H1' 48 3.371e+05 20.0 1H2' 48 H8 49 4.965e+05 20.0 H2 48 H1' 49 3.892e+05 20.0 1H2' 49 H1' 49 2.139e+06 20.0 1H2' 49 H8 49 2.372e+06 20.0 2H5' 49 H8 49 2.072e+05 20.0 H1' 49 H8 49 4.038e+05 20.0 H3' 49 H1' 49 2.127e+05 20.0 H4' 49 H1' 49 6.633e+05 20.0 1H2' 49 H8 50 8.932e+05 20.0 H1' 49 H8 50 2.467e+05 20.0 H1' 50 H2 21 4.029e+05 20.0 Pk1: inter Pk2: inter H1' 50 H2 49 2.728e+05 20.0 1H2' 50 H1' 50 2.105e+06 20.0 H1' 50 H8 50 2.648e+05 22.3 1H2' 50 H6 51 2.337e+06 20.0 1H2' 51 H1' 51 2.213e+06 20.0 H5 51 H6 51 2.646e+06 20.0 1H2' 51 H8 52 6.582e+06 20.0 H1' 52 H8 52 4.726e+05 20.0 1H2' 52 H6 53 5.034e+06 20.0 H1' 53 H6 53 2.607e+05 20.0 H5 53 H6 53 2.467e+06 20.0 H1' 54 H8 54 1.306e+05 20.0 1H2' 55 H1' 55 2.282e+06 20.0 H5 55 H6 55 2.373e+06 20.0 1H2' 55 H8 56 2.375e+06 20.0 H1' 56 H8 56 2.784e+05 20.0 H4' 56 H1' 56 3.015e+05 20.0 H2 56 H1' 57 8.415e+05 20.0 1H2' 57 H1' 57 2.297e+06 20.0 1H2' 57 H1' 58 3.154e+05 20.0 1H2' 58 H1' 58 1.694e+06 20.0 H1' 58 H8 58 2.251e+05 28.2 1H2' 58 H8 59 2.735e+06 20.0 H1' 59 H8 59 2.345e+05 20.0 1H2' 59 H6 60 4.843e+06 20.0 H5 60 H6 60 2.469e+06 20.0 1H2' 60 H8 61 3.842e+06 20.0 1H2' 61 H1' 61 2.194e+06 20.0 H3' 61 H1' 61 3.800e+05 20.0 H8 61 H1' 61 4.589e+05 20.0 1H2' 61 H8 62 2.632e+06 20.0 H1' 61 H8 62 1.512e+05 20.0 H2 61 H1' 62 6.512e+05 20.0 H3' 61 H8 62 3.728e+05 20.0 1H2' 62 H1' 62 2.193e+06 20.0 H1' 62 H8 62 3.279e+05 20.0 1H2' 62 H8 63 2.198e+06 20.0 H2 62 H1' 63 7.978e+05 20.0 1H2' 63 H1' 63 1.945e+06 20.0 1H2' 63 H8 64 2.161e+06 20.0 1H2' 64 H1' 64 2.304e+06 20.0 H1' 64 H8 64 2.591e+05 20.0 H2 64 H1' 65 2.747e+05 20.0 1H2' 65 H1' 65 1.704e+06 20.0 1H2' 65 H8 65 5.326e+05 20.0 H1' 66 H8 66 9.597e+05 20.0 1H2' 66 H6 67 5.969e+05 20.0 H3' 66 H6 67 3.286e+05 20.0 1H2' 67 H1' 67 1.859e+06 20.0 1H2' 67 H8 68 5.474e+06 20.0 1H2' 68 H1' 68 1.544e+06 20.0 1H2' 68 H6 69 3.583e+06 20.0 1H2' 69 H1' 69 2.388e+06 20.0 H5 69 H6 69 2.485e+06 20.0 1H2' 69 H6 70 2.745e+06 20.0 H5 69 H5 70 2.518e+05 20.0 H1' 70 H2 2 4.099e+05 20.0 inter 1H2' 70 H1' 70 2.449e+06 20.0 H3' 70 H1' 70 2.462e+05 20.0 H6 70 H5 70 2.103e+06 20.0 # # (3B) 50-ms dataset 600 MHz # HEADER prepared from 50.mardilist by mardi.in Fri Dec 16 18:20:51 2005 MIXING TIME: 0.05 ATOM1 ATOM2 INTENSITY ERROR Note 1H2' 1 H1' 1 4.714e+06 20.0 1H2' 1 H8 1 2.885e+06 20.0 H1' 1 H8 1 9.612e+05 20.0 H3' 1 H1' 1 1.851e+06 20.0 H3' 1 H8 1 2.036e+06 20.0 1H2' 1 H8 2 4.168e+06 20.0 H1' 1 H8 2 1.941e+06 20.0 H3' 1 H8 2 2.223e+06 20.0 1H2' 2 H1' 2 3.845e+06 20.0 1H2' 2 H8 2 6.531e+05 20.0 H1' 2 H8 2 8.489e+05 20.0 H2 2 H1' 2 2.818e+05 20.0 1H2' 2 H6 3 6.865e+06 20.0 H1' 2 H6 3 9.486e+05 20.0 H2 2 H1' 70 1.043e+06 20.0 Pk1: inter Pk2: inter H5 3 H1' 2 4.099e+05 20.0 H5 3 H8 2 6.978e+05 20.0 H5 3 H6 3 5.025e+06 20.0 H1' 4 H8 4 6.792e+05 20.0 1H2' 4 H8 5 2.268e+06 20.0 H1' 4 H8 5 1.991e+05 20.0 H1' 5 H8 5 1.265e+06 20.0 H1' 5 H6 6 4.441e+05 20.0 H1' 6 1H2' 6 3.256e+06 20.0 H5 6 H6 6 4.825e+06 20.0 1H2' 6 H5 7 1.328e+06 20.0 H1' 6 H2 64 9.004e+05 20.0 Pk1: inter Pk2: inter H5 7 H5 6 8.850e+05 20.0 H5 7 H6 6 3.548e+05 20.0 H5 7 H6 7 4.616e+06 20.0 H1' 8 H6 8 7.609e+05 20.0 H1' 8 H2 62 1.357e+06 20.0 Pk1: inter Pk2: inter H5 8 H2 62 2.495e+05 20.0 inter H1' 9 H8 9 6.327e+05 20.0 H1' 9 H5 10 1.903e+05 20.0 H1' 9 H6 10 9.080e+05 20.0 H1' 9 H2 61 1.372e+06 20.0 Pk1: inter Pk2: inter H3' 10 H1' 10 1.497e+06 20.0 H3' 10 H5 10 5.601e+05 20.0 H3' 10 H6 10 3.465e+06 20.0 H6 10 H1' 10 7.575e+05 20.0 H1' 10 H6 11 8.514e+05 20.0 H3' 10 H6 11 2.265e+06 20.0 H5 10 H5 11 1.198e+06 20.0 H6 10 H5 11 6.168e+05 45.3 1H2' 11 H6 11 6.295e+05 20.0 H1' 11 1H2' 11 5.315e+06 20.0 H1' 11 H6 11 1.213e+06 20.0 H5 11 H6 11 5.686e+06 20.0 1H2' 11 H8 12 5.270e+06 20.0 H1' 11 H8 12 1.390e+06 20.0 1H2' 12 H8 12 3.087e+06 20.0 H1' 12 1H2' 12 5.192e+06 20.0 H1' 12 H8 12 1.453e+06 20.0 H3' 12 H8 12 1.575e+06 20.0 H4' 12 H1' 12 2.602e+06 20.0 H4' 12 H8 12 5.565e+05 20.0 1H2' 12 H8 13 3.136e+06 20.0 H1' 12 H8 13 5.492e+05 20.0 H3' 12 H8 13 1.272e+06 20.0 1H2' 13 H1' 13 5.041e+06 20.0 1H2' 13 H8 13 2.761e+06 20.0 1H5' 13 H8 13 3.206e+05 20.0 2H5' 13 H8 13 3.390e+05 20.0 H1' 13 H2 13 2.996e+05 21.1 H1' 13 H8 13 1.300e+06 20.0 H3' 13 H8 13 2.792e+06 20.0 H4' 13 H1' 13 2.154e+06 20.0 H4' 13 H8 13 2.301e+05 20.0 1H2' 13 H1' 14 3.536e+05 20.0 1H2' 13 H8 14 1.662e+06 20.0 H1' 13 H2 14 1.623e+05 20.0 H1' 13 H8 14 3.826e+05 20.0 H2 13 H1' 14 7.977e+05 20.0 H4' 13 H8 14 1.513e+05 20.0 H2 13 H2 56 4.049e+05 20.0 Pk1: inter Pk2: inter 1H2' 14 H1' 14 4.022e+06 20.0 1H2' 14 H8 14 3.186e+06 20.0 1H5' 14 H8 14 4.822e+05 21.6 2H5' 14 H8 14 6.067e+05 23.6 H1' 14 H2 14 2.706e+05 20.0 H1' 14 H8 14 1.420e+06 20.0 H3' 14 H1' 14 1.560e+06 20.0 H4' 14 H1' 14 3.082e+06 20.0 H4' 14 H8 14 2.042e+05 20.0 H1' 14 H8 15 4.831e+05 20.0 H2 14 H1' 15 8.908e+05 20.0 H2 14 H8 15 1.877e+05 20.0 H8 14 H8 15 1.822e+05 34.0 H2 14 H2 56 4.788e+05 20.0 inter H1' 15 H8 15 9.912e+05 20.0 1H2' 15 H1' 16 7.241e+05 20.0 H1' 15 H5 16 5.591e+05 20.0 H1' 15 H6 16 6.823e+05 20.0 H1' 15 H2 56 1.718e+06 20.0 Pk1: inter Pk2: inter H1' 16 H6 16 9.338e+05 22.8 H5 16 H6 16 5.559e+06 20.0 H1' 16 H8 17 1.153e+06 20.0 H1' 17 H8 17 9.681e+05 29.6 H1' 17 H6 18 1.025e+06 20.0 H1' 18 H6 18 1.062e+06 20.0 H5 18 H6 18 4.826e+06 20.0 H1' 18 H8 19 1.690e+06 20.0 H1' 19 H8 19 8.617e+05 20.0 H1' 19 H1' 20 2.063e+05 20.0 H1' 19 H6 20 1.067e+06 30.6 H1' 20 H6 20 1.057e+06 20.0 H6 20 H5 20 4.935e+06 20.0 H1' 20 H8 21 1.016e+06 20.0 H1' 21 H8 21 8.867e+05 20.0 H1' 21 H6 22 8.040e+05 20.0 H2 21 H1' 22 2.395e+06 20.0 H8 21 H5 22 4.934e+05 20.0 H1' 22 1H2' 22 5.365e+06 20.0 H1' 22 H2 48 2.056e+05 20.0 inter 1H2' 23 H1' 23 4.763e+06 20.0 1H2' 23 H8 23 5.636e+05 20.0 H1' 23 H8 23 8.761e+05 20.0 1H2' 23 H8 24 4.656e+06 20.0 H1' 23 H8 24 8.154e+05 20.0 H8 23 H8 24 2.053e+05 20.0 H1' 24 H8 24 6.766e+05 20.0 H1' 24 H5 25 4.283e+05 30.0 H1' 24 H6 25 1.064e+06 20.0 H8 24 H5 25 3.048e+05 20.0 H6 25 H8 24 3.003e+05 20.0 H1' 25 H6 25 8.900e+05 20.0 H5 25 H6 25 4.942e+06 20.0 H8 26 H6 25 1.981e+05 20.0 1H2' 26 H1' 26 4.502e+06 20.0 H1' 26 H2 26 2.964e+05 20.0 H4' 26 H1' 26 2.060e+06 20.0 H1' 26 H8 27 7.428e+05 20.0 H2 26 H1' 27 1.823e+06 20.0 H2 26 H2 27 4.072e+05 20.0 H3' 26 H8 27 1.638e+06 20.0 H8 26 H8 27 3.434e+05 20.0 H1' 27 H2 27 3.251e+05 20.0 H1' 27 H8 27 6.758e+05 20.0 1H2' 27 H8 28 6.588e+06 20.0 H1' 27 H8 28 5.174e+05 20.0 H2 27 H1' 28 2.213e+06 20.0 H2 27 H8 28 3.168e+05 20.0 1H2' 28 H8 28 3.586e+05 20.0 H1' 28 1H2' 28 4.097e+06 20.0 H1' 28 H8 28 8.120e+05 20.7 1H2' 28 H1' 29 7.014e+05 20.0 1H2' 28 H8 29 6.084e+06 20.0 H8 29 H8 28 1.766e+05 20.0 H1' 29 H8 29 8.992e+05 20.0 H3' 29 H1' 29 1.425e+06 20.0 H2 29 H1' 30 1.119e+06 20.0 H1' 30 H8 30 2.537e+06 23.2 1H2' 31 H1' 31 4.444e+06 20.0 H1' 31 H5 32 1.028e+06 20.0 H1' 31 H6 32 6.630e+05 20.0 1H2' 33 H1' 33 3.999e+06 20.0 H1' 33 H8 33 8.765e+05 20.0 H3' 33 H1' 33 1.556e+06 20.0 H1' 33 H6 34 1.173e+06 22.8 H1' 34 1H2' 34 4.460e+06 20.0 H5 34 H6 34 4.335e+06 20.0 1H2' 34 H1' 35 6.121e+05 20.0 1H2' 34 H5 35 1.346e+06 20.0 1H2' 34 H6 35 6.180e+06 20.0 H5 34 H5 35 7.377e+05 20.0 1H2' 35 H5 35 8.167e+05 20.0 1H2' 35 H6 35 2.102e+06 20.0 H1' 35 1H2' 35 5.186e+06 20.0 H1' 35 H6 35 1.026e+06 20.0 H5 35 H6 35 5.430e+06 20.0 1H2' 36 H1' 36 4.714e+06 20.0 1H2' 36 H8 36 2.885e+06 20.0 H1' 36 H8 36 9.612e+05 20.0 H3' 36 H1' 36 1.851e+06 20.0 H3' 36 H8 36 2.036e+06 20.0 1H2' 36 H8 37 4.168e+06 20.0 H1' 36 H8 37 1.941e+06 20.0 H3' 36 H8 37 2.223e+06 20.0 H2 37 H1' 35 1.043e+06 20.0 Pk1: inter Pk2: inter 1H2' 37 H1' 37 3.845e+06 20.0 1H2' 37 H8 37 6.531e+05 20.0 H1' 37 H8 37 8.489e+05 20.0 H2 37 H1' 37 2.818e+05 20.0 1H2' 37 H6 38 6.865e+06 20.0 H1' 37 H6 38 9.486e+05 20.0 H5 38 H1' 37 4.099e+05 20.0 H5 38 H8 37 6.978e+05 20.0 H5 38 H6 38 5.025e+06 20.0 H1' 39 H8 39 6.792e+05 20.0 1H2' 39 H8 40 2.268e+06 20.0 H1' 39 H8 40 1.991e+05 20.0 H1' 40 H8 40 1.265e+06 20.0 H1' 40 H6 41 4.441e+05 20.0 H1' 41 H2 29 9.004e+05 20.0 Pk1: inter Pk2: inter H1' 41 1H2' 41 3.256e+06 20.0 H5 41 H6 41 4.825e+06 20.0 1H2' 41 H5 42 1.328e+06 20.0 H5 42 H5 41 8.850e+05 20.0 H5 42 H6 41 3.548e+05 20.0 H5 42 H6 42 4.616e+06 20.0 H1' 43 H2 27 1.357e+06 20.0 Pk1: inter Pk2: inter H5 43 H2 27 2.495e+05 20.0 inter H1' 43 H6 43 7.609e+05 20.0 H1' 44 H2 26 1.372e+06 20.0 Pk1: inter Pk2: inter H1' 44 H8 44 6.327e+05 20.0 H1' 44 H5 45 1.903e+05 20.0 H1' 44 H6 45 9.080e+05 20.0 H3' 45 H1' 45 1.497e+06 20.0 H3' 45 H5 45 5.601e+05 20.0 H3' 45 H6 45 3.465e+06 20.0 H6 45 H1' 45 7.575e+05 20.0 H1' 45 H6 46 8.514e+05 20.0 H3' 45 H6 46 2.265e+06 20.0 H5 45 H5 46 1.198e+06 20.0 H6 45 H5 46 6.168e+05 45.3 1H2' 46 H6 46 6.295e+05 20.0 H1' 46 1H2' 46 5.315e+06 20.0 H1' 46 H6 46 1.213e+06 20.0 H5 46 H6 46 5.686e+06 20.0 1H2' 46 H8 47 5.270e+06 20.0 H1' 46 H8 47 1.390e+06 20.0 1H2' 47 H8 47 3.087e+06 20.0 H1' 47 1H2' 47 5.192e+06 20.0 H1' 47 H8 47 1.453e+06 20.0 H3' 47 H8 47 1.575e+06 20.0 H4' 47 H1' 47 2.602e+06 20.0 H4' 47 H8 47 5.565e+05 20.0 1H2' 47 H8 48 3.136e+06 20.0 H1' 47 H8 48 5.492e+05 20.0 H3' 47 H8 48 1.272e+06 20.0 H2 48 H2 21 4.049e+05 20.0 Pk1: inter Pk2: inter 1H2' 48 H1' 48 5.041e+06 20.0 1H2' 48 H8 48 2.761e+06 20.0 1H5' 48 H8 48 3.206e+05 20.0 2H5' 48 H8 48 3.390e+05 20.0 H1' 48 H2 48 2.996e+05 21.1 H1' 48 H8 48 1.300e+06 20.0 H3' 48 H8 48 2.792e+06 20.0 H4' 48 H1' 48 2.154e+06 20.0 H4' 48 H8 48 2.301e+05 20.0 1H2' 48 H1' 49 3.536e+05 20.0 1H2' 48 H8 49 1.662e+06 20.0 H1' 48 H2 49 1.623e+05 20.0 H1' 48 H8 49 3.826e+05 20.0 H2 48 H1' 49 7.977e+05 20.0 H4' 48 H8 49 1.513e+05 20.0 H2 49 H2 21 4.788e+05 20.0 inter 1H2' 49 H1' 49 4.022e+06 20.0 1H2' 49 H8 49 3.186e+06 20.0 1H5' 49 H8 49 4.822e+05 21.6 2H5' 49 H8 49 6.067e+05 23.6 H1' 49 H2 49 2.706e+05 20.0 H1' 49 H8 49 1.420e+06 20.0 H3' 49 H1' 49 1.560e+06 20.0 H4' 49 H1' 49 3.082e+06 20.0 H4' 49 H8 49 2.042e+05 20.0 H1' 49 H8 50 4.831e+05 20.0 H2 49 H1' 50 8.908e+05 20.0 H2 49 H8 50 1.877e+05 20.0 H8 49 H8 50 1.822e+05 34.0 H1' 50 H2 21 1.718e+06 20.0 Pk1: inter Pk2: inter H1' 50 H8 50 9.912e+05 20.0 1H2' 50 H1' 51 7.241e+05 20.0 H1' 50 H5 51 5.591e+05 20.0 H1' 50 H6 51 6.823e+05 20.0 H1' 51 H6 51 9.338e+05 22.8 H5 51 H6 51 5.559e+06 20.0 H1' 51 H8 52 1.153e+06 20.0 H1' 52 H8 52 9.681e+05 29.6 H1' 52 H6 53 1.025e+06 20.0 H1' 53 H6 53 1.062e+06 20.0 H5 53 H6 53 4.826e+06 20.0 H1' 53 H8 54 1.690e+06 20.0 H1' 54 H8 54 8.617e+05 20.0 H1' 54 H1' 55 2.063e+05 20.0 H1' 54 H6 55 1.067e+06 30.6 H1' 55 H6 55 1.057e+06 20.0 H6 55 H5 55 4.935e+06 20.0 H1' 55 H8 56 1.016e+06 20.0 H1' 56 H8 56 8.867e+05 20.0 H1' 56 H6 57 8.040e+05 20.0 H2 56 H1' 57 2.395e+06 20.0 H8 56 H5 57 4.934e+05 20.0 H1' 57 H2 13 2.056e+05 20.0 inter H1' 57 1H2' 57 5.365e+06 20.0 1H2' 58 H1' 58 4.763e+06 20.0 1H2' 58 H8 58 5.636e+05 20.0 H1' 58 H8 58 8.761e+05 20.0 1H2' 58 H8 59 4.656e+06 20.0 H1' 58 H8 59 8.154e+05 20.0 H8 58 H8 59 2.053e+05 20.0 H1' 59 H8 59 6.766e+05 20.0 H1' 59 H5 60 4.283e+05 30.0 H1' 59 H6 60 1.064e+06 20.0 H8 59 H5 60 3.048e+05 20.0 H6 60 H8 59 3.003e+05 20.0 H1' 60 H6 60 8.900e+05 20.0 H5 60 H6 60 4.942e+06 20.0 H8 61 H6 60 1.981e+05 20.0 1H2' 61 H1' 61 4.502e+06 20.0 H1' 61 H2 61 2.964e+05 20.0 H4' 61 H1' 61 2.060e+06 20.0 H1' 61 H8 62 7.428e+05 20.0 H2 61 H1' 62 1.823e+06 20.0 H2 61 H2 62 4.072e+05 20.0 H3' 61 H8 62 1.638e+06 20.0 H8 61 H8 62 3.434e+05 20.0 H1' 62 H2 62 3.251e+05 20.0 H1' 62 H8 62 6.758e+05 20.0 1H2' 62 H8 63 6.588e+06 20.0 H1' 62 H8 63 5.174e+05 20.0 H2 62 H1' 63 2.213e+06 20.0 H2 62 H8 63 3.168e+05 20.0 1H2' 63 H8 63 3.586e+05 20.0 H1' 63 1H2' 63 4.097e+06 20.0 H1' 63 H8 63 8.120e+05 20.7 1H2' 63 H1' 64 7.014e+05 20.0 1H2' 63 H8 64 6.084e+06 20.0 H8 64 H8 63 1.766e+05 20.0 H1' 64 H8 64 8.992e+05 20.0 H3' 64 H1' 64 1.425e+06 20.0 H2 64 H1' 65 1.119e+06 20.0 H1' 65 H8 65 2.537e+06 23.2 1H2' 66 H1' 66 4.444e+06 20.0 H1' 66 H5 67 1.028e+06 20.0 H1' 66 H6 67 6.630e+05 20.0 1H2' 68 H1' 68 3.999e+06 20.0 H1' 68 H8 68 8.765e+05 20.0 H3' 68 H1' 68 1.556e+06 20.0 H1' 68 H6 69 1.173e+06 22.8 H1' 69 1H2' 69 4.460e+06 20.0 H5 69 H6 69 4.335e+06 20.0 1H2' 69 H1' 70 6.121e+05 20.0 1H2' 69 H5 70 1.346e+06 20.0 1H2' 69 H6 70 6.180e+06 20.0 H5 69 H5 70 7.377e+05 20.0 1H2' 70 H5 70 8.167e+05 20.0 1H2' 70 H6 70 2.102e+06 20.0 H1' 70 1H2' 70 5.186e+06 20.0 H1' 70 H6 70 1.026e+06 20.0 H5 70 H6 70 5.430e+06 20.0 # # (3C) 75-ms dataset 900 MHz # HEADER prepared from 75.mardilist by mardi.in Fri Dec 16 18:21:55 2005 MIXING TIME: 0.075 ATOM1 ATOM2 INTENSITY ERROR Note 1H2' 1 H8 1 6.441e+07 20.0 H1' 1 1H2' 1 1.176e+08 20.0 H8 1 H1' 1 3.033e+07 20.0 1H2' 1 H8 2 1.508e+08 20.0 H1' 1 H8 2 5.344e+07 20.0 H1' 2 H1' 1 1.618e+07 20.0 1H2' 2 H8 2 7.098e+07 20.0 H1' 2 1H2' 2 1.324e+08 22.4 H1' 2 H8 2 3.015e+07 20.0 H2 2 H1' 3 7.003e+07 21.3 H2 2 H1' 70 3.682e+07 28.1 Pk1: inter Pk2: inter H5 3 H8 2 9.537e+06 20.0 H6 3 H1' 2 3.418e+07 20.0 H1' 3 H6 3 2.647e+07 20.0 H5 3 H6 3 1.230e+08 20.0 1H2' 4 H1' 4 9.181e+07 20.0 H1' 4 H8 4 1.431e+07 20.0 1H2' 4 H8 5 6.755e+07 20.0 H1' 5 H8 5 3.566e+07 20.0 H1' 5 H6 6 7.764e+06 30.8 H1' 6 1H2' 6 7.673e+07 20.0 H5 6 H6 6 1.201e+08 20.0 1H2' 6 H5 7 3.751e+07 20.0 1H2' 6 H6 7 1.041e+08 20.0 H6 6 H5 7 1.258e+07 39.3 H1' 6 H2 64 2.495e+07 20.0 Pk1: inter Pk2: inter H5 7 H6 7 1.378e+08 20.0 1H2' 7 H5 8 3.913e+07 20.0 H1' 7 H6 8 3.944e+07 30.6 H5 7 H5 8 1.763e+07 20.0 H5 8 H6 7 1.361e+07 20.0 H1' 8 1H2' 8 1.499e+08 20.0 H1' 8 H6 8 2.420e+07 20.0 1H2' 8 H8 9 1.639e+08 20.0 H1' 8 H2 62 3.936e+07 20.0 Pk1: inter Pk2: inter H8 9 H6 8 1.644e+07 20.0 H1' 9 1H2' 9 1.420e+08 20.0 H1' 9 H8 9 1.629e+07 20.0 H1' 9 H6 10 3.406e+07 20.0 H1' 9 H2 61 3.110e+07 20.0 Pk1: inter Pk2: inter H1' 10 1H2' 10 1.314e+08 20.0 H3' 10 H1' 10 4.729e+07 20.0 H3' 10 H5 10 1.966e+07 20.0 H3' 10 H6 10 7.027e+07 20.0 H6 10 H1' 10 2.605e+07 20.0 1H2' 10 H6 11 1.156e+08 20.0 H1' 10 H5 11 1.067e+07 20.0 H1' 10 H6 11 2.749e+07 20.0 H5 10 H5 11 3.926e+07 20.0 H6 10 H5 11 1.991e+07 45.9 H1' 11 1H2' 11 1.450e+08 20.0 H1' 11 H6 11 2.785e+07 20.0 H5 11 H6 11 1.883e+08 20.0 1H2' 11 H8 12 1.550e+08 20.0 H1' 11 H8 12 3.650e+07 20.0 1H2' 12 H8 12 8.314e+07 20.0 H1' 12 1H2' 12 1.721e+08 20.0 H1' 12 H8 12 3.744e+07 20.0 H3' 12 H8 12 7.891e+07 20.0 H4' 12 H1' 12 5.080e+07 20.0 1H2' 12 H8 13 9.771e+07 20.0 H1' 12 H8 13 2.358e+07 20.0 H3' 12 H8 13 5.599e+07 20.0 H8 13 H8 12 1.160e+07 20.0 1H2' 13 H8 13 9.909e+07 20.0 1H5' 13 H8 13 3.994e+07 20.0 H1' 13 1H2' 13 1.486e+08 20.0 H1' 13 H2 13 1.238e+07 39.7 H1' 13 H4' 13 5.823e+07 20.0 H1' 13 H8 13 4.423e+07 20.0 H3' 13 H1' 13 5.896e+07 20.0 H3' 13 H8 13 9.555e+07 20.0 H4' 13 H8 13 2.165e+07 32.4 1H2' 13 H8 14 4.536e+07 20.0 H1' 13 H8 14 1.670e+07 20.0 H2 13 H1' 14 2.106e+07 20.0 H2 13 H2 56 1.299e+07 20.0 Pk1: inter Pk2: inter 1H2' 14 H1' 14 1.528e+08 20.0 1H2' 14 H8 14 1.134e+08 20.0 1H5' 14 H8 14 2.034e+07 20.0 2H5' 14 H8 14 3.388e+07 20.0 H1' 14 H2 14 1.316e+07 20.0 H1' 14 H4' 14 7.458e+07 20.0 H1' 14 H8 14 4.567e+07 20.0 H3' 14 H1' 14 6.324e+07 20.0 H4' 14 H8 14 1.261e+07 20.0 1H2' 14 H8 15 7.516e+07 20.0 H1' 14 H8 15 2.291e+07 20.0 H2 14 H1' 15 3.150e+07 20.0 H2 14 H2 56 1.960e+07 28.0 Pk1: inter Pk2: inter H1' 15 1H2' 15 1.383e+08 20.0 H1' 15 H8 15 3.819e+07 20.0 1H2' 15 H1' 16 2.301e+07 20.0 1H2' 15 H6 16 1.114e+08 20.0 H1' 15 H1' 16 9.709e+06 20.0 H1' 15 H6 16 3.668e+07 20.0 H1' 15 H2 56 4.471e+07 20.0 Pk1: inter Pk2: inter H5 16 H1' 15 1.930e+07 20.0 H1' 16 1H2' 16 1.392e+08 20.0 H1' 16 H6 16 3.710e+07 20.0 H5 16 H1' 16 9.630e+06 20.0 H5 16 H6 16 1.534e+08 20.0 H1' 16 H8 17 4.282e+07 20.0 H5 16 H8 17 9.556e+06 20.0 H1' 17 H8 17 3.324e+07 20.0 H1' 17 H6 18 5.346e+07 20.0 H5 18 H1' 17 1.438e+07 20.0 H5 18 H8 17 1.891e+07 20.0 H1' 18 H6 18 2.494e+07 20.0 H5 18 H1' 18 9.401e+06 20.0 H5 18 H6 18 1.376e+08 20.0 H1' 18 H8 19 5.008e+07 20.0 H1' 19 H8 19 2.782e+07 20.0 H1' 19 H6 20 3.011e+07 20.0 H1' 20 H1' 19 5.600e+06 20.0 H5 20 H1' 19 1.266e+07 20.0 H1' 20 H6 20 3.080e+07 20.0 H5 20 H6 20 1.412e+08 20.0 H1' 20 H1' 21 1.185e+07 20.0 H1' 20 H8 21 3.296e+07 20.0 H1' 21 H8 21 3.122e+07 20.0 H4' 21 H1' 21 2.343e+07 20.0 H1' 21 H6 22 3.779e+07 20.0 H2 21 H1' 22 6.713e+07 20.0 H8 21 H5 22 1.788e+07 20.0 1H2' 23 H1' 23 1.460e+08 20.0 H1' 23 H8 23 2.180e+07 20.0 1H2' 23 H1' 24 3.422e+07 20.0 1H2' 23 H8 24 1.179e+08 20.0 H1' 23 H8 24 3.237e+07 20.0 H8 23 H8 24 1.067e+07 20.0 H1' 24 H8 24 2.201e+07 20.0 1H2' 24 H5 25 4.853e+07 20.0 H1' 24 H6 25 2.766e+07 20.0 H8 24 H5 25 1.128e+07 20.0 H5 25 H1' 24 8.845e+06 20.0 H1' 25 H6 25 2.313e+07 20.0 H5 25 H6 25 1.433e+08 20.0 1H2' 26 H1' 26 1.382e+08 20.0 1H2' 26 H8 26 2.165e+07 20.0 H1' 26 H2 26 2.515e+07 35.3 H1' 26 H8 26 1.872e+07 20.0 H3' 26 H1' 26 5.574e+07 20.0 H3' 26 H8 26 8.008e+07 20.0 1H2' 26 H1' 27 3.868e+07 20.0 1H2' 26 H8 27 1.234e+08 20.0 H1' 26 H8 27 3.378e+07 20.0 H2 26 H1' 27 6.042e+07 20.0 H2 26 H2 27 1.739e+07 20.0 H2 26 H8 27 7.644e+06 20.0 H3' 26 H8 27 5.182e+07 20.0 1H2' 27 H2 27 1.350e+07 20.0 H1' 27 H8 27 1.995e+07 20.0 1H2' 27 H8 28 1.851e+08 20.0 H2 27 H1' 28 5.833e+07 20.0 H8 28 H1' 27 3.437e+07 20.0 1H2' 28 H1' 28 9.528e+07 20.0 H1' 28 H8 28 1.723e+07 33.3 1H2' 28 H1' 29 3.514e+07 20.0 1H2' 28 H8 29 1.232e+08 20.0 H1' 29 H2 29 2.049e+07 20.0 H1' 29 H8 29 2.628e+07 20.0 H3' 29 H8 29 8.191e+07 20.0 H1' 30 H2 29 3.914e+07 20.0 1H2' 30 H1' 30 9.412e+07 20.0 H1' 30 H8 30 5.908e+07 20.0 H1' 31 H2 29 1.312e+07 20.0 1H2' 31 H1' 31 8.325e+07 20.0 1H2' 31 H8 31 3.009e+07 20.0 H1' 31 H8 31 5.574e+07 20.0 H3' 31 H8 31 1.343e+07 20.0 1H2' 31 H6 32 3.550e+07 20.0 H1' 31 H6 32 1.493e+07 20.0 H3' 31 H6 32 1.141e+07 20.0 H5 32 H1' 31 1.537e+07 20.0 1H2' 32 H1' 32 1.226e+08 20.0 H5 32 H6 32 2.048e+08 20.0 1H2' 34 H1' 34 1.244e+08 20.0 H5 34 H6 34 1.127e+08 20.0 1H2' 34 H5 35 3.658e+07 20.0 1H2' 34 H6 35 1.698e+08 20.0 H1' 34 H6 35 5.258e+07 20.0 H1' 34 H2 37 1.122e+07 20.0 inter 1H2' 35 H5 35 3.765e+07 20.0 1H2' 35 H6 35 3.837e+07 20.0 H1' 35 1H2' 35 1.671e+08 20.0 H5 35 H6 35 1.568e+08 20.0 H6 35 H1' 35 5.703e+07 20.0 1H2' 36 H8 36 6.441e+07 20.0 H1' 36 1H2' 36 1.176e+08 20.0 H8 36 H1' 36 3.033e+07 20.0 1H2' 36 H8 37 1.508e+08 20.0 H1' 36 H8 37 5.344e+07 20.0 H2 37 H1' 35 3.682e+07 28.1 Pk1: inter Pk2: inter H1' 37 H1' 36 1.618e+07 20.0 1H2' 37 H8 37 7.098e+07 20.0 H1' 37 1H2' 37 1.324e+08 22.4 H1' 37 H8 37 3.015e+07 20.0 H2 37 H1' 38 7.003e+07 21.3 H5 38 H8 37 9.537e+06 20.0 H6 38 H1' 37 3.418e+07 20.0 H1' 38 H6 38 2.647e+07 20.0 H5 38 H6 38 1.230e+08 20.0 1H2' 39 H1' 39 9.181e+07 20.0 H1' 39 H8 39 1.431e+07 20.0 1H2' 39 H8 40 6.755e+07 20.0 H1' 40 H8 40 3.566e+07 20.0 H1' 40 H6 41 7.764e+06 30.8 H1' 41 H2 29 2.495e+07 20.0 Pk1: inter Pk2: inter H1' 41 1H2' 41 7.673e+07 20.0 H5 41 H6 41 1.201e+08 20.0 1H2' 41 H5 42 3.751e+07 20.0 1H2' 41 H6 42 1.041e+08 20.0 H6 41 H5 42 1.258e+07 39.3 H5 42 H6 42 1.378e+08 20.0 1H2' 42 H5 43 3.913e+07 20.0 H1' 42 H6 43 3.944e+07 30.6 H5 42 H5 43 1.763e+07 20.0 H1' 43 H2 27 3.936e+07 20.0 Pk1: inter Pk2: inter H5 43 H6 42 1.361e+07 20.0 H1' 43 1H2' 43 1.499e+08 20.0 H1' 43 H6 43 2.420e+07 20.0 1H2' 43 H8 44 1.639e+08 20.0 H1' 44 H2 26 3.110e+07 20.0 Pk1: inter Pk2: inter H8 44 H6 43 1.644e+07 20.0 H1' 44 1H2' 44 1.420e+08 20.0 H1' 44 H8 44 1.629e+07 20.0 H1' 44 H6 45 3.406e+07 20.0 H1' 45 1H2' 45 1.314e+08 20.0 H3' 45 H1' 45 4.729e+07 20.0 H3' 45 H5 45 1.966e+07 20.0 H3' 45 H6 45 7.027e+07 20.0 H6 45 H1' 45 2.605e+07 20.0 1H2' 45 H6 46 1.156e+08 20.0 H1' 45 H5 46 1.067e+07 20.0 H1' 45 H6 46 2.749e+07 20.0 H5 45 H5 46 3.926e+07 20.0 H6 45 H5 46 1.991e+07 45.9 H1' 46 1H2' 46 1.450e+08 20.0 H1' 46 H6 46 2.785e+07 20.0 H5 46 H6 46 1.883e+08 20.0 1H2' 46 H8 47 1.550e+08 20.0 H1' 46 H8 47 3.650e+07 20.0 1H2' 47 H8 47 8.314e+07 20.0 H1' 47 1H2' 47 1.721e+08 20.0 H1' 47 H8 47 3.744e+07 20.0 H3' 47 H8 47 7.891e+07 20.0 H4' 47 H1' 47 5.080e+07 20.0 1H2' 47 H8 48 9.771e+07 20.0 H1' 47 H8 48 2.358e+07 20.0 H3' 47 H8 48 5.599e+07 20.0 H2 48 H2 21 1.299e+07 20.0 Pk1: inter Pk2: inter H8 48 H8 47 1.160e+07 20.0 1H2' 48 H8 48 9.909e+07 20.0 1H5' 48 H8 48 3.994e+07 20.0 H1' 48 1H2' 48 1.486e+08 20.0 H1' 48 H2 48 1.238e+07 39.7 H1' 48 H4' 48 5.823e+07 20.0 H1' 48 H8 48 4.423e+07 20.0 H3' 48 H1' 48 5.896e+07 20.0 H3' 48 H8 48 9.555e+07 20.0 H4' 48 H8 48 2.165e+07 32.4 1H2' 48 H8 49 4.536e+07 20.0 H1' 48 H8 49 1.670e+07 20.0 H2 48 H1' 49 2.106e+07 20.0 H2 49 H2 21 1.960e+07 28.0 Pk1: inter Pk2: inter 1H2' 49 H1' 49 1.528e+08 20.0 1H2' 49 H8 49 1.134e+08 20.0 1H5' 49 H8 49 2.034e+07 20.0 2H5' 49 H8 49 3.388e+07 20.0 H1' 49 H2 49 1.316e+07 20.0 H1' 49 H4' 49 7.458e+07 20.0 H1' 49 H8 49 4.567e+07 20.0 H3' 49 H1' 49 6.324e+07 20.0 H4' 49 H8 49 1.261e+07 20.0 1H2' 49 H8 50 7.516e+07 20.0 H1' 49 H8 50 2.291e+07 20.0 H2 49 H1' 50 3.150e+07 20.0 H1' 50 H2 21 4.471e+07 20.0 Pk1: inter Pk2: inter H1' 50 1H2' 50 1.383e+08 20.0 H1' 50 H8 50 3.819e+07 20.0 1H2' 50 H1' 51 2.301e+07 20.0 1H2' 50 H6 51 1.114e+08 20.0 H1' 50 H1' 51 9.709e+06 20.0 H1' 50 H6 51 3.668e+07 20.0 H5 51 H1' 50 1.930e+07 20.0 H1' 51 1H2' 51 1.392e+08 20.0 H1' 51 H6 51 3.710e+07 20.0 H5 51 H1' 51 9.630e+06 20.0 H5 51 H6 51 1.534e+08 20.0 H1' 51 H8 52 4.282e+07 20.0 H5 51 H8 52 9.556e+06 20.0 H1' 52 H8 52 3.324e+07 20.0 H1' 52 H6 53 5.346e+07 20.0 H5 53 H1' 52 1.438e+07 20.0 H5 53 H8 52 1.891e+07 20.0 H1' 53 H6 53 2.494e+07 20.0 H5 53 H1' 53 9.401e+06 20.0 H5 53 H6 53 1.376e+08 20.0 H1' 53 H8 54 5.008e+07 20.0 H1' 54 H8 54 2.782e+07 20.0 H1' 54 H6 55 3.011e+07 20.0 H1' 55 H1' 54 5.600e+06 20.0 H5 55 H1' 54 1.266e+07 20.0 H1' 55 H6 55 3.080e+07 20.0 H5 55 H6 55 1.412e+08 20.0 H1' 55 H1' 56 1.185e+07 20.0 H1' 55 H8 56 3.296e+07 20.0 H1' 56 H8 56 3.122e+07 20.0 H4' 56 H1' 56 2.343e+07 20.0 H1' 56 H6 57 3.779e+07 20.0 H2 56 H1' 57 6.713e+07 20.0 H8 56 H5 57 1.788e+07 20.0 1H2' 58 H1' 58 1.460e+08 20.0 H1' 58 H8 58 2.180e+07 20.0 1H2' 58 H1' 59 3.422e+07 20.0 1H2' 58 H8 59 1.179e+08 20.0 H1' 58 H8 59 3.237e+07 20.0 H8 58 H8 59 1.067e+07 20.0 H1' 59 H8 59 2.201e+07 20.0 1H2' 59 H5 60 4.853e+07 20.0 H1' 59 H6 60 2.766e+07 20.0 H8 59 H5 60 1.128e+07 20.0 H5 60 H1' 59 8.845e+06 20.0 H1' 60 H6 60 2.313e+07 20.0 H5 60 H6 60 1.433e+08 20.0 1H2' 61 H1' 61 1.382e+08 20.0 1H2' 61 H8 61 2.165e+07 20.0 H1' 61 H2 61 2.515e+07 35.3 H1' 61 H8 61 1.872e+07 20.0 H3' 61 H1' 61 5.574e+07 20.0 H3' 61 H8 61 8.008e+07 20.0 1H2' 61 H1' 62 3.868e+07 20.0 1H2' 61 H8 62 1.234e+08 20.0 H1' 61 H8 62 3.378e+07 20.0 H2 61 H1' 62 6.042e+07 20.0 H2 61 H2 62 1.739e+07 20.0 H2 61 H8 62 7.644e+06 20.0 H3' 61 H8 62 5.182e+07 20.0 1H2' 62 H2 62 1.350e+07 20.0 H1' 62 H8 62 1.995e+07 20.0 1H2' 62 H8 63 1.851e+08 20.0 H2 62 H1' 63 5.833e+07 20.0 H8 63 H1' 62 3.437e+07 20.0 1H2' 63 H1' 63 9.528e+07 20.0 H1' 63 H8 63 1.723e+07 33.3 1H2' 63 H1' 64 3.514e+07 20.0 1H2' 63 H8 64 1.232e+08 20.0 H1' 64 H2 64 2.049e+07 20.0 H1' 64 H8 64 2.628e+07 20.0 H3' 64 H8 64 8.191e+07 20.0 H1' 65 H2 64 3.914e+07 20.0 1H2' 65 H1' 65 9.412e+07 20.0 H1' 65 H8 65 5.908e+07 20.0 H1' 66 H2 64 1.312e+07 20.0 1H2' 66 H1' 66 8.325e+07 20.0 1H2' 66 H8 66 3.009e+07 20.0 H1' 66 H8 66 5.574e+07 20.0 H3' 66 H8 66 1.343e+07 20.0 1H2' 66 H6 67 3.550e+07 20.0 H1' 66 H6 67 1.493e+07 20.0 H3' 66 H6 67 1.141e+07 20.0 H5 67 H1' 66 1.537e+07 20.0 1H2' 67 H1' 67 1.226e+08 20.0 H5 67 H6 67 2.048e+08 20.0 H1' 69 H2 2 1.122e+07 20.0 inter 1H2' 69 H1' 69 1.244e+08 20.0 H5 69 H6 69 1.127e+08 20.0 1H2' 69 H5 70 3.658e+07 20.0 1H2' 69 H6 70 1.698e+08 20.0 H1' 69 H6 70 5.258e+07 20.0 1H2' 70 H5 70 3.765e+07 20.0 1H2' 70 H6 70 3.837e+07 20.0 H1' 70 1H2' 70 1.671e+08 20.0 H5 70 H6 70 1.568e+08 20.0 H6 70 H1' 70 5.703e+07 20.0 # # (3D) 150-ms dataset 600 MHz # HEADER prepared from 150.mardilist by mardi.in Fri Dec 16 18:21:15 2005 MIXING TIME: 0.15 ATOM1 ATOM2 INTENSITY ERROR Note 1H2' 1 H1' 1 3.929e+06 20.0 1H2' 1 H8 1 3.704e+06 20.0 H1' 1 H8 1 1.945e+06 20.0 H3' 1 H1' 1 1.677e+06 20.0 H3' 1 H8 1 2.573e+06 20.0 1H2' 1 H1' 2 1.280e+06 20.0 1H2' 1 H8 2 2.585e+06 20.0 H1' 1 H1' 2 4.433e+05 20.0 H1' 1 H8 2 2.576e+06 20.0 H3' 1 H8 2 1.864e+06 20.0 H8 1 H8 2 1.216e+06 20.0 1H2' 2 H1' 2 4.471e+06 20.0 1H2' 2 H8 2 1.388e+06 20.0 H1' 2 H2 2 4.208e+05 20.0 1H2' 2 H5 3 2.231e+06 20.0 H1' 2 H5 3 7.953e+05 20.0 H1' 2 H6 3 1.333e+06 20.0 H2 2 H1' 70 1.116e+06 20.0 Pk1: inter Pk2: inter H1' 3 H5 3 4.204e+05 20.0 1H2' 4 H1' 4 2.440e+06 20.0 1H2' 4 H8 4 1.067e+06 20.0 H1' 4 H8 4 1.211e+06 20.0 1H2' 4 H8 5 2.200e+06 20.0 H1' 4 H8 5 7.786e+05 21.2 H1' 5 H8 5 1.489e+06 20.0 1H2' 5 H5 6 1.901e+06 20.0 H1' 5 H5 6 3.277e+05 20.0 H1' 5 H6 6 7.192e+05 20.0 H8 5 H6 6 5.306e+05 20.0 1H2' 6 H1' 6 3.017e+06 20.0 H1' 6 H5 6 3.360e+05 20.0 H5 6 H6 6 3.865e+06 20.0 1H2' 6 H5 7 1.701e+06 20.0 1H2' 6 H6 7 2.609e+06 20.0 H5 6 H5 7 1.005e+06 20.0 H6 6 H5 7 4.701e+05 27.5 H1' 6 H2 64 1.165e+06 20.0 inter H5 7 H6 7 3.498e+06 20.0 H5 7 H5 8 7.553e+05 20.0 H1' 8 H6 8 1.180e+06 45.0 H1' 8 H1' 9 2.034e+05 20.0 H6 8 H8 9 4.681e+05 20.0 H1' 8 H2 62 1.822e+06 20.0 Pk1: inter Pk2: inter H6 8 H2 62 3.244e+05 20.0 inter H1' 9 H8 9 1.123e+06 23.6 H3' 9 H1' 9 1.551e+06 20.0 H1' 9 H1' 10 3.309e+05 20.7 H1' 9 H5 10 7.064e+05 20.0 H1' 9 H6 10 1.629e+06 20.0 H1' 9 H2 61 1.388e+06 20.0 Pk1: inter Pk2: inter H8 9 H2 61 2.476e+05 20.0 inter H5 10 H8 9 1.303e+06 20.0 H1' 10 H6 10 8.502e+05 22.8 H3' 10 H1' 10 1.821e+06 20.0 H3' 10 H5 10 1.063e+06 20.0 H1' 10 H1' 11 3.056e+05 20.0 H1' 10 H5 11 5.240e+05 20.0 H1' 10 H6 11 1.239e+06 20.0 H5 10 H5 11 1.521e+06 20.0 H6 10 H5 11 8.533e+05 20.0 1H2' 11 H1' 11 4.162e+06 20.0 1H2' 11 H6 11 8.418e+05 20.0 H1' 11 H6 11 1.538e+06 32.5 H5 11 H6 11 4.896e+06 20.0 1H2' 11 H8 12 4.078e+06 20.0 H1' 11 H8 12 2.373e+06 20.0 1H2' 12 H1' 12 5.683e+06 20.0 1H2' 12 H8 12 3.020e+06 20.0 H1' 12 H8 12 1.886e+06 22.1 H3' 12 H8 12 2.193e+06 20.0 H4' 12 H8 12 1.564e+06 20.0 1H2' 12 H8 13 2.741e+06 20.0 H1' 12 H1' 13 3.283e+05 20.0 H1' 12 H8 13 1.366e+06 25.4 H3' 12 H8 13 1.649e+06 20.0 H8 12 H8 13 6.021e+05 20.0 1H2' 13 H1' 13 5.223e+06 20.0 1H2' 13 H8 13 2.813e+06 20.0 1H5' 13 H8 13 1.116e+06 20.0 H1' 13 H2 13 4.552e+05 20.0 H1' 13 H8 13 1.992e+06 20.0 H3' 13 H1' 13 2.742e+06 20.0 H3' 13 H8 13 3.573e+06 20.0 H4' 13 H1' 13 3.007e+06 20.0 H4' 13 H8 13 1.330e+06 20.0 1H2' 13 H1' 14 7.397e+05 20.0 1H2' 13 H8 14 1.763e+06 20.0 H1' 13 H8 14 8.671e+05 20.0 H2 13 H1' 14 1.152e+06 20.0 H4' 13 H8 14 4.008e+05 20.0 H2 13 H2 56 7.546e+05 20.0 inter H2 13 H1' 57 4.108e+05 20.0 inter H4' 14 H1' 13 3.247e+05 20.0 1H2' 14 H1' 14 4.919e+06 20.0 1H2' 14 H2 14 3.207e+05 20.0 1H2' 14 H8 14 4.366e+06 20.0 1H5' 14 H8 14 1.070e+06 20.0 2H5' 14 H8 14 9.035e+05 20.0 H1' 14 H2 14 4.544e+05 24.4 H1' 14 H8 14 2.150e+06 20.0 H3' 14 H1' 14 2.795e+06 20.0 H4' 14 H1' 14 2.855e+06 20.0 1H2' 14 H8 15 2.590e+06 20.0 H1' 14 H8 15 8.559e+05 20.0 H2 14 H1' 15 1.188e+06 20.0 H2 14 H8 15 4.317e+05 20.0 H8 14 H8 15 6.508e+05 20.0 H2 14 H2 56 8.064e+05 20.0 Pk1: inter Pk2: inter 1H2' 15 H1' 15 5.174e+06 20.0 H1' 15 H8 15 1.444e+06 20.0 1H2' 15 H5 16 2.117e+06 20.0 H1' 15 H5 16 1.128e+06 20.0 H1' 15 H6 16 1.579e+06 20.0 H1' 15 H2 56 1.472e+06 20.0 Pk1: inter Pk2: inter H1' 16 H5 16 4.528e+05 20.0 H1' 16 H6 16 1.127e+06 20.0 H5 16 H6 16 3.924e+06 20.0 H1' 16 H1' 17 3.304e+05 20.0 H1' 16 H8 17 2.000e+06 20.0 H6 16 H8 17 6.038e+05 20.0 H1' 17 H8 17 1.148e+06 20.0 H1' 17 H6 18 1.550e+06 20.0 H1' 18 H5 18 4.283e+05 20.0 H1' 18 H6 18 1.457e+06 20.0 H5 18 H6 18 3.712e+06 20.0 H1' 18 H8 19 2.332e+06 20.0 H8 19 H6 18 5.916e+05 20.0 H1' 19 H8 19 1.012e+06 20.0 H1' 19 H1' 20 4.114e+05 20.0 H1' 19 H6 20 9.653e+05 20.0 H1' 20 H5 20 7.112e+05 20.0 H1' 20 H6 20 1.479e+06 20.0 H1' 20 H1' 21 2.344e+05 32.8 H1' 20 H8 21 1.526e+06 20.0 H5 20 H8 21 4.902e+05 56.1 H1' 21 H8 21 1.375e+06 20.0 H4' 21 H1' 21 1.340e+06 20.0 H1' 21 H6 22 1.411e+06 20.0 H2 21 H1' 22 2.832e+06 20.0 H2 21 H6 22 7.026e+05 20.0 H8 21 H5 22 8.471e+05 20.0 H1' 22 H1' 23 2.294e+05 20.0 H5 22 H2 48 2.925e+05 20.0 inter 1H2' 23 H8 23 9.598e+05 20.0 H1' 23 H8 23 1.278e+06 20.0 H1' 23 H8 24 1.898e+06 20.0 H8 23 H8 24 7.692e+05 20.0 H1' 24 H8 24 1.038e+06 20.0 H1' 24 H5 25 8.025e+05 20.0 H1' 24 H6 25 1.869e+06 20.0 H8 24 H5 25 7.023e+05 20.0 H6 25 H8 24 2.721e+05 20.0 H1' 25 H5 25 3.038e+05 20.0 H5 25 H6 25 3.524e+06 20.0 H1' 25 H1' 26 3.043e+05 20.0 1H2' 26 H1' 26 4.896e+06 20.0 1H2' 26 H2 26 5.552e+05 20.0 H1' 26 H2 26 4.000e+05 20.0 H1' 26 H8 26 7.588e+05 20.0 H1' 26 H8 27 1.894e+06 20.0 H2 26 H1' 27 2.531e+06 20.0 H2 26 H2 27 7.324e+05 20.0 H2 26 H8 27 4.007e+05 20.0 H3' 26 H8 27 1.948e+06 20.0 H8 26 H8 27 8.676e+05 41.8 H2 26 H1' 43 3.834e+05 20.0 inter H1' 27 H1' 26 3.193e+05 20.0 H1' 27 H2 27 4.572e+05 20.0 H1' 27 H8 27 1.157e+06 20.0 1H2' 27 H8 28 6.932e+06 20.0 H1' 27 H1' 28 2.711e+05 20.0 H1' 27 H8 28 1.223e+06 20.0 H2 27 H1' 28 2.718e+06 20.0 H8 27 H8 28 5.764e+05 20.0 1H2' 28 H1' 28 4.067e+06 20.0 1H2' 28 H8 28 8.730e+05 20.0 H1' 28 H8 28 1.103e+06 20.0 H1' 28 H1' 29 2.675e+05 20.0 H8 29 H8 28 5.070e+05 20.0 H1' 29 H2 29 5.447e+05 20.0 H1' 29 H8 29 1.530e+06 20.0 H3' 29 H1' 29 2.585e+06 20.0 H2 29 H1' 30 1.986e+06 20.0 H8 29 H8 30 1.518e+05 20.0 1H2' 30 H2 29 6.180e+05 20.0 H1' 30 H1' 29 1.786e+05 20.0 H1' 30 H8 30 2.004e+06 20.0 H3' 30 H8 31 9.731e+05 20.0 H1' 31 H2 29 1.273e+06 20.0 1H2' 31 H1' 31 4.482e+06 20.0 H1' 31 H8 31 2.739e+06 20.0 1H2' 31 H5 32 1.016e+06 20.0 H1' 31 H1' 32 2.936e+05 20.0 H1' 31 H5 32 1.402e+06 20.0 H1' 31 H6 32 1.323e+06 22.8 H3' 31 H5 32 7.057e+05 20.0 H5 32 H8 31 2.655e+05 20.0 H1' 33 H1' 32 2.340e+05 20.0 H1' 33 H8 33 1.358e+06 20.0 H1' 33 H5 34 6.075e+05 20.0 H1' 33 H6 34 2.225e+06 20.0 H3' 33 H5 34 1.017e+06 20.0 H3' 33 H6 34 2.456e+06 20.0 1H2' 34 H1' 34 4.183e+06 20.0 H5 34 H6 34 4.146e+06 20.0 1H2' 34 H1' 35 4.222e+05 20.0 1H2' 34 H5 35 1.333e+06 20.0 1H2' 34 H6 35 3.207e+06 20.0 H1' 34 H5 35 5.364e+05 20.0 H5 34 H5 35 7.935e+05 20.0 H6 34 H5 35 4.454e+05 20.0 1H2' 35 H5 35 1.541e+06 20.0 1H2' 35 H6 35 1.929e+06 20.0 H1' 35 1H2' 35 6.172e+06 20.0 H1' 35 H5 35 6.117e+05 26.8 H1' 35 H6 35 1.340e+06 20.0 H5 35 H6 35 4.735e+06 20.0 1H2' 36 H1' 36 3.929e+06 20.0 1H2' 36 H8 36 3.704e+06 20.0 H1' 36 H8 36 1.945e+06 20.0 H3' 36 H1' 36 1.677e+06 20.0 H3' 36 H8 36 2.573e+06 20.0 1H2' 36 H1' 37 1.280e+06 20.0 1H2' 36 H8 37 2.585e+06 20.0 H1' 36 H1' 37 4.433e+05 20.0 H1' 36 H8 37 2.576e+06 20.0 H3' 36 H8 37 1.864e+06 20.0 H8 36 H8 37 1.216e+06 20.0 H2 37 H1' 35 1.116e+06 20.0 Pk1: inter Pk2: inter 1H2' 37 H1' 37 4.471e+06 20.0 1H2' 37 H8 37 1.388e+06 20.0 H1' 37 H2 37 4.208e+05 20.0 1H2' 37 H5 38 2.231e+06 20.0 H1' 37 H5 38 7.953e+05 20.0 H1' 37 H6 38 1.333e+06 20.0 H1' 38 H5 38 4.204e+05 20.0 1H2' 39 H1' 39 2.440e+06 20.0 1H2' 39 H8 39 1.067e+06 20.0 H1' 39 H8 39 1.211e+06 20.0 1H2' 39 H8 40 2.200e+06 20.0 H1' 39 H8 40 7.786e+05 21.2 H1' 40 H8 40 1.489e+06 20.0 1H2' 40 H5 41 1.901e+06 20.0 H1' 40 H5 41 3.277e+05 20.0 H1' 40 H6 41 7.192e+05 20.0 H8 40 H6 41 5.306e+05 20.0 H1' 41 H2 29 1.165e+06 20.0 inter 1H2' 41 H1' 41 3.017e+06 20.0 H1' 41 H5 41 3.360e+05 20.0 H5 41 H6 41 3.865e+06 20.0 1H2' 41 H5 42 1.701e+06 20.0 1H2' 41 H6 42 2.609e+06 20.0 H5 41 H5 42 1.005e+06 20.0 H6 41 H5 42 4.701e+05 27.5 H5 42 H6 42 3.498e+06 20.0 H5 42 H5 43 7.553e+05 20.0 H1' 43 H2 27 1.822e+06 20.0 Pk1: inter Pk2: inter H6 43 H2 27 3.244e+05 20.0 inter H1' 43 H6 43 1.180e+06 45.0 H1' 43 H1' 44 2.034e+05 20.0 H6 43 H8 44 4.681e+05 20.0 H1' 44 H2 26 1.388e+06 20.0 Pk1: inter Pk2: inter H8 44 H2 26 2.476e+05 20.0 inter H1' 44 H8 44 1.123e+06 23.6 H3' 44 H1' 44 1.551e+06 20.0 H1' 44 H1' 45 3.309e+05 20.7 H1' 44 H5 45 7.064e+05 20.0 H1' 44 H6 45 1.629e+06 20.0 H5 45 H8 44 1.303e+06 20.0 H1' 45 H6 45 8.502e+05 22.8 H3' 45 H1' 45 1.821e+06 20.0 H3' 45 H5 45 1.063e+06 20.0 H1' 45 H1' 46 3.056e+05 20.0 H1' 45 H5 46 5.240e+05 20.0 H1' 45 H6 46 1.239e+06 20.0 H5 45 H5 46 1.521e+06 20.0 H6 45 H5 46 8.533e+05 20.0 1H2' 46 H1' 46 4.162e+06 20.0 1H2' 46 H6 46 8.418e+05 20.0 H1' 46 H6 46 1.538e+06 32.5 H5 46 H6 46 4.896e+06 20.0 1H2' 46 H8 47 4.078e+06 20.0 H1' 46 H8 47 2.373e+06 20.0 1H2' 47 H1' 47 5.683e+06 20.0 1H2' 47 H8 47 3.020e+06 20.0 H1' 47 H8 47 1.886e+06 22.1 H3' 47 H8 47 2.193e+06 20.0 H4' 47 H8 47 1.564e+06 20.0 1H2' 47 H8 48 2.741e+06 20.0 H1' 47 H1' 48 3.283e+05 20.0 H1' 47 H8 48 1.366e+06 25.4 H3' 47 H8 48 1.649e+06 20.0 H8 47 H8 48 6.021e+05 20.0 H2 48 H2 21 7.546e+05 20.0 inter H2 48 H1' 22 4.108e+05 20.0 inter 1H2' 48 H1' 48 5.223e+06 20.0 1H2' 48 H8 48 2.813e+06 20.0 1H5' 48 H8 48 1.116e+06 20.0 H1' 48 H2 48 4.552e+05 20.0 H1' 48 H8 48 1.992e+06 20.0 H3' 48 H1' 48 2.742e+06 20.0 H3' 48 H8 48 3.573e+06 20.0 H4' 48 H1' 48 3.007e+06 20.0 H4' 48 H8 48 1.330e+06 20.0 1H2' 48 H1' 49 7.397e+05 20.0 1H2' 48 H8 49 1.763e+06 20.0 H1' 48 H8 49 8.671e+05 20.0 H2 48 H1' 49 1.152e+06 20.0 H4' 48 H8 49 4.008e+05 20.0 H2 49 H2 21 8.064e+05 20.0 Pk1: inter Pk2: inter H4' 49 H1' 48 3.247e+05 20.0 1H2' 49 H1' 49 4.919e+06 20.0 1H2' 49 H2 49 3.207e+05 20.0 1H2' 49 H8 49 4.366e+06 20.0 1H5' 49 H8 49 1.070e+06 20.0 2H5' 49 H8 49 9.035e+05 20.0 H1' 49 H2 49 4.544e+05 24.4 H1' 49 H8 49 2.150e+06 20.0 H3' 49 H1' 49 2.795e+06 20.0 H4' 49 H1' 49 2.855e+06 20.0 1H2' 49 H8 50 2.590e+06 20.0 H1' 49 H8 50 8.559e+05 20.0 H2 49 H1' 50 1.188e+06 20.0 H2 49 H8 50 4.317e+05 20.0 H8 49 H8 50 6.508e+05 20.0 H1' 50 H2 21 1.472e+06 20.0 Pk1: inter Pk2: inter 1H2' 50 H1' 50 5.174e+06 20.0 H1' 50 H8 50 1.444e+06 20.0 1H2' 50 H5 51 2.117e+06 20.0 H1' 50 H5 51 1.128e+06 20.0 H1' 50 H6 51 1.579e+06 20.0 H1' 51 H5 51 4.528e+05 20.0 H1' 51 H6 51 1.127e+06 20.0 H5 51 H6 51 3.924e+06 20.0 H1' 51 H1' 52 3.304e+05 20.0 H1' 51 H8 52 2.000e+06 20.0 H6 51 H8 52 6.038e+05 20.0 H1' 52 H8 52 1.148e+06 20.0 H1' 52 H6 53 1.550e+06 20.0 H1' 53 H5 53 4.283e+05 20.0 H1' 53 H6 53 1.457e+06 20.0 H5 53 H6 53 3.712e+06 20.0 H1' 53 H8 54 2.332e+06 20.0 H8 54 H6 53 5.916e+05 20.0 H1' 54 H8 54 1.012e+06 20.0 H1' 54 H1' 55 4.114e+05 20.0 H1' 54 H6 55 9.653e+05 20.0 H1' 55 H5 55 7.112e+05 20.0 H1' 55 H6 55 1.479e+06 20.0 H1' 55 H1' 56 2.344e+05 32.8 H1' 55 H8 56 1.526e+06 20.0 H5 55 H8 56 4.902e+05 56.1 H1' 56 H8 56 1.375e+06 20.0 H4' 56 H1' 56 1.340e+06 20.0 H1' 56 H6 57 1.411e+06 20.0 H2 56 H1' 57 2.832e+06 20.0 H2 56 H6 57 7.026e+05 20.0 H8 56 H5 57 8.471e+05 20.0 H5 57 H2 13 2.925e+05 20.0 inter H1' 57 H1' 58 2.294e+05 20.0 1H2' 58 H8 58 9.598e+05 20.0 H1' 58 H8 58 1.278e+06 20.0 H1' 58 H8 59 1.898e+06 20.0 H8 58 H8 59 7.692e+05 20.0 H1' 59 H8 59 1.038e+06 20.0 H1' 59 H5 60 8.025e+05 20.0 H1' 59 H6 60 1.869e+06 20.0 H8 59 H5 60 7.023e+05 20.0 H6 60 H8 59 2.721e+05 20.0 H1' 60 H5 60 3.038e+05 20.0 H5 60 H6 60 3.524e+06 20.0 H1' 60 H1' 61 3.043e+05 20.0 H2 61 H1' 8 3.834e+05 20.0 inter 1H2' 61 H1' 61 4.896e+06 20.0 1H2' 61 H2 61 5.552e+05 20.0 H1' 61 H2 61 4.000e+05 20.0 H1' 61 H8 61 7.588e+05 20.0 H1' 61 H8 62 1.894e+06 20.0 H2 61 H1' 62 2.531e+06 20.0 H2 61 H2 62 7.324e+05 20.0 H2 61 H8 62 4.007e+05 20.0 H3' 61 H8 62 1.948e+06 20.0 H8 61 H8 62 8.676e+05 41.8 H1' 62 H1' 61 3.193e+05 20.0 H1' 62 H2 62 4.572e+05 20.0 H1' 62 H8 62 1.157e+06 20.0 1H2' 62 H8 63 6.932e+06 20.0 H1' 62 H1' 63 2.711e+05 20.0 H1' 62 H8 63 1.223e+06 20.0 H2 62 H1' 63 2.718e+06 20.0 H8 62 H8 63 5.764e+05 20.0 1H2' 63 H1' 63 4.067e+06 20.0 1H2' 63 H8 63 8.730e+05 20.0 H1' 63 H8 63 1.103e+06 20.0 H1' 63 H1' 64 2.675e+05 20.0 H8 64 H8 63 5.070e+05 20.0 H1' 64 H2 64 5.447e+05 20.0 H1' 64 H8 64 1.530e+06 20.0 H3' 64 H1' 64 2.585e+06 20.0 H2 64 H1' 65 1.986e+06 20.0 H8 64 H8 65 1.518e+05 20.0 1H2' 65 H2 64 6.180e+05 20.0 H1' 65 H1' 64 1.786e+05 20.0 H1' 65 H8 65 2.004e+06 20.0 H3' 65 H8 66 9.731e+05 20.0 H1' 66 H2 64 1.273e+06 20.0 1H2' 66 H1' 66 4.482e+06 20.0 H1' 66 H8 66 2.739e+06 20.0 1H2' 66 H5 67 1.016e+06 20.0 H1' 66 H1' 67 2.936e+05 20.0 H1' 66 H5 67 1.402e+06 20.0 H1' 66 H6 67 1.323e+06 22.8 H3' 66 H5 67 7.057e+05 20.0 H5 67 H8 66 2.655e+05 20.0 H1' 68 H1' 67 2.340e+05 20.0 H1' 68 H8 68 1.358e+06 20.0 H1' 68 H5 69 6.075e+05 20.0 H1' 68 H6 69 2.225e+06 20.0 H3' 68 H5 69 1.017e+06 20.0 H3' 68 H6 69 2.456e+06 20.0 1H2' 69 H1' 69 4.183e+06 20.0 H5 69 H6 69 4.146e+06 20.0 1H2' 69 H1' 70 4.222e+05 20.0 1H2' 69 H5 70 1.333e+06 20.0 1H2' 69 H6 70 3.207e+06 20.0 H1' 69 H5 70 5.364e+05 20.0 H5 69 H5 70 7.935e+05 20.0 H6 69 H5 70 4.454e+05 20.0 1H2' 70 H5 70 1.541e+06 20.0 1H2' 70 H6 70 1.929e+06 20.0 H1' 70 1H2' 70 6.172e+06 20.0 H1' 70 H5 70 6.117e+05 26.8 H1' 70 H6 70 1.340e+06 20.0 H5 70 H6 70 4.735e+06 20.0 # # (3E) 300-ms dataset 600 MHz # HEADER prepared from 300.mardilist by mardi.in Fri Dec 16 18:21:35 2005 MIXING TIME: 0.3 ATOM1 ATOM2 INTENSITY ERROR Note 1H2' 1 H1' 1 4.807e+06 20.0 1H2' 1 H8 1 3.564e+06 20.0 H1' 1 H8 1 3.312e+06 20.0 H3' 1 H1' 1 4.698e+06 20.0 H3' 1 H8 1 3.991e+06 20.0 1H2' 1 H1' 2 9.823e+05 20.0 1H2' 1 H8 2 3.084e+06 20.0 H1' 1 H1' 2 9.069e+05 20.0 H1' 1 H8 2 3.274e+06 20.0 H3' 1 H8 2 3.854e+06 20.0 H8 1 H8 2 2.432e+06 20.0 1H2' 2 H1' 2 6.541e+06 20.0 1H2' 2 H8 2 5.138e+06 20.0 H1' 2 H2 2 7.833e+05 20.0 H1' 2 H8 2 1.863e+06 20.0 1H2' 2 H5 3 4.985e+06 20.0 H1' 2 H1' 3 1.010e+06 20.0 H1' 2 H5 3 2.007e+06 20.0 H1' 2 H6 3 2.543e+06 20.0 H8 2 H5 3 1.112e+06 35.3 H2 2 H1' 70 2.614e+06 20.0 Pk1: inter Pk2: inter H5 3 H2 2 6.679e+05 20.0 H1' 3 H5 3 1.944e+06 20.0 H5 3 H6 3 4.242e+06 20.0 H1' 3 H1' 4 7.042e+05 20.0 1H2' 4 H1' 4 3.510e+06 20.0 1H2' 4 H8 4 2.346e+06 20.0 H1' 4 H8 4 1.789e+06 20.0 1H2' 4 H1' 5 2.020e+06 20.0 1H2' 4 H8 5 2.369e+06 20.0 H1' 4 H1' 5 1.008e+06 40.9 H1' 4 H8 5 1.333e+06 20.0 H1' 5 H8 5 2.256e+06 20.0 1H2' 5 H5 6 5.298e+06 20.0 H1' 5 H5 6 1.186e+06 20.0 H1' 5 H6 6 1.673e+06 20.0 H8 5 H5 6 9.988e+05 20.0 H8 5 H6 6 6.255e+05 20.0 H1' 6 H1' 5 5.760e+05 20.0 1H2' 6 H1' 6 3.462e+06 20.0 1H2' 6 H5 6 6.771e+05 20.0 H1' 6 H5 6 9.888e+05 20.0 H5 6 H6 6 4.011e+06 20.0 1H2' 6 H5 7 2.115e+06 20.0 1H2' 6 H6 7 3.933e+06 20.0 H5 6 H5 7 1.670e+06 20.0 H6 6 H5 7 1.059e+06 20.0 H1' 6 H2 64 2.718e+06 20.0 Pk1: inter Pk2: inter H5 7 H6 7 4.636e+06 20.0 H1' 7 H1' 8 1.597e+06 20.0 H1' 7 H5 8 3.041e+06 22.1 H5 7 H5 8 1.952e+06 20.0 H1' 8 H6 8 2.074e+06 20.0 H1' 8 H1' 9 8.068e+05 20.0 H6 8 H8 9 1.216e+06 20.0 H1' 8 H2 61 5.760e+05 20.0 Pk1: inter Pk2: inter H6 8 H2 61 2.585e+05 20.0 inter H1' 8 H1' 62 2.724e+05 24.3 Pk1: inter Pk2: inter H1' 8 H2 62 2.760e+06 20.0 Pk1: inter Pk2: inter H5 8 H2 62 5.115e+05 20.0 Pk1: inter Pk2: inter H1' 8 H1' 63 5.192e+05 20.0 inter H1' 9 H8 9 1.837e+06 20.0 H1' 9 H1' 10 9.786e+05 20.0 H1' 9 H5 10 2.169e+06 20.0 H1' 9 H6 10 2.565e+06 20.0 H8 9 H5 10 1.926e+06 20.0 H8 9 H6 10 8.218e+05 26.9 H1' 9 H2 61 2.392e+06 20.0 Pk1: inter Pk2: inter H8 9 H2 61 4.536e+05 20.0 Pk1: inter Pk2: inter H1' 9 H2 62 2.342e+05 20.0 Pk1: inter Pk2: inter H8 9 H2 62 4.092e+05 20.0 Pk1: inter Pk2: inter H1' 10 H6 10 1.677e+06 20.0 H1' 10 H1' 11 1.396e+06 20.0 H1' 10 H5 11 2.363e+06 20.0 H1' 10 H6 11 2.296e+06 20.0 H5 10 H5 11 3.152e+06 20.0 H5 10 H6 11 1.650e+06 20.0 H6 10 H5 11 1.824e+06 20.0 H6 10 H6 11 6.740e+05 20.0 H5 10 H2 61 4.194e+05 20.0 Pk1: inter Pk2: inter 1H2' 11 H1' 11 6.977e+06 20.0 1H2' 11 H6 11 2.263e+06 20.0 H1' 11 H5 11 2.498e+06 20.0 H1' 11 H6 11 2.548e+06 20.0 H5 11 H6 11 5.916e+06 20.0 1H2' 11 H8 12 4.386e+06 20.0 H1' 11 H8 12 3.687e+06 20.0 H6 11 H8 12 8.269e+05 20.0 1H2' 12 H8 12 3.114e+06 20.0 H1' 12 H8 12 3.228e+06 20.0 H3' 12 H8 12 2.934e+06 20.0 1H2' 12 H1' 13 1.327e+06 20.0 1H2' 12 H8 13 3.809e+06 20.0 H1' 12 H1' 13 7.083e+05 20.0 H1' 12 H8 13 2.629e+06 20.0 H3' 12 H8 13 2.987e+06 20.0 H8 12 H1' 13 3.052e+05 20.0 H8 12 H8 13 1.223e+06 20.0 1H2' 13 H1' 13 8.059e+06 20.0 1H2' 13 H8 13 3.945e+06 20.0 1H5' 13 H8 13 1.951e+06 20.0 H1' 13 H2 13 9.284e+05 20.0 H1' 13 H8 13 3.692e+06 20.0 H2 13 H8 13 2.132e+05 20.0 H3' 13 H1' 13 5.768e+06 20.0 H3' 13 H8 13 5.272e+06 20.0 H4' 13 H8 13 3.348e+06 20.0 1H2' 13 H1' 14 2.063e+06 20.0 1H2' 13 H8 14 2.677e+06 20.0 H1' 13 H2 14 3.103e+05 20.0 H1' 13 H8 14 1.954e+06 20.0 H2 13 H1' 14 2.106e+06 20.0 H2 13 H8 14 4.859e+05 20.0 H4' 13 H8 14 1.693e+06 20.0 H8 13 H1' 14 3.651e+05 20.0 H8 13 H8 14 1.230e+06 20.0 H1' 13 H8 15 3.299e+05 20.0 H2 13 H8 15 5.414e+05 20.0 H1' 13 H2 56 2.221e+05 20.0 inter H2 13 H2 56 1.959e+06 20.0 Pk1: inter Pk2: inter 1H2' 14 H1' 14 8.093e+06 20.0 1H2' 14 H8 14 6.134e+06 20.0 1H5' 14 H8 14 2.597e+06 20.0 2H5' 14 H8 14 2.128e+06 20.0 H1' 14 H2 14 1.047e+06 20.0 H1' 14 H8 14 4.309e+06 20.0 H2 14 H8 14 4.387e+05 20.0 H3' 14 H1' 14 6.058e+06 20.0 H4' 14 H8 14 2.710e+06 20.0 1H2' 14 H8 15 3.114e+06 20.0 H1' 14 H1' 15 5.882e+05 21.3 H1' 14 H8 15 1.782e+06 20.0 H2 14 H1' 15 2.313e+06 20.0 H2 14 H8 15 6.186e+05 20.0 H8 14 H8 15 1.361e+06 20.0 H1' 14 H2 56 4.366e+05 20.0 Pk1: inter Pk2: inter H2 14 H1' 56 3.169e+05 20.0 inter H2 14 H2 56 2.059e+06 20.0 Pk1: inter Pk2: inter H1' 15 H8 15 2.645e+06 20.0 H1' 15 H1' 16 9.269e+05 20.0 H1' 15 H5 16 3.847e+06 20.0 H1' 15 H6 16 2.221e+06 20.0 H1' 15 H2 56 2.662e+06 20.0 Pk1: inter Pk2: inter H1' 15 H1' 57 5.731e+05 31.5 Pk1: inter Pk2: inter H1' 16 H5 16 1.495e+06 20.0 H1' 16 H6 16 2.457e+06 20.0 H5 16 H6 16 5.276e+06 20.0 H1' 16 H1' 17 1.075e+06 20.0 H1' 16 H8 17 3.200e+06 20.0 H5 16 H8 17 1.215e+06 20.0 H6 16 H8 17 1.057e+06 20.0 H1' 17 H8 17 2.133e+06 20.0 H1' 17 H6 18 2.891e+06 20.0 H5 18 H8 17 1.682e+06 20.0 H6 18 H8 17 6.824e+05 20.0 H1' 18 H5 18 2.007e+06 20.0 H1' 18 H6 18 2.014e+06 20.0 H5 18 H6 18 4.368e+06 20.0 H1' 18 H8 19 4.457e+06 20.0 H1' 19 H8 19 3.072e+06 20.0 H1' 19 H1' 20 1.334e+06 20.0 H1' 19 H6 20 2.188e+06 20.0 H1' 20 H6 20 2.701e+06 20.0 H5 20 H6 20 4.642e+06 20.0 H1' 20 H1' 21 9.308e+05 20.0 H1' 20 H8 21 2.570e+06 20.0 H5 20 H8 21 7.768e+05 20.0 H6 20 H8 21 5.854e+05 22.3 H1' 21 H8 21 2.078e+06 20.0 H8 21 H2 21 1.627e+05 20.0 H1' 21 H6 22 2.790e+06 20.0 H2 21 H1' 22 4.929e+06 20.0 H2 21 H6 22 1.286e+06 20.0 H8 21 H5 22 1.580e+06 20.0 H8 21 H6 22 1.545e+06 20.0 1H2' 22 H1' 22 9.756e+06 20.0 H1' 22 H1' 23 8.474e+05 20.0 1H2' 23 H8 23 3.118e+06 20.0 H1' 23 H8 23 2.258e+06 20.0 1H2' 23 H8 24 3.283e+06 20.0 H1' 23 H8 24 3.130e+06 20.0 H8 23 H8 24 1.205e+06 20.0 H1' 24 H8 24 1.804e+06 20.0 H1' 24 H1' 25 1.293e+06 20.0 H1' 24 H5 25 3.039e+06 20.0 H1' 24 H6 25 2.269e+06 20.0 H8 24 H5 25 9.104e+05 20.0 H8 24 H6 25 6.426e+05 20.0 H1' 25 H5 25 1.721e+06 20.0 H5 25 H6 25 4.628e+06 20.0 H1' 25 H1' 26 1.109e+06 20.0 H5 25 H8 26 8.572e+05 20.0 1H2' 26 H1' 26 7.555e+06 20.0 H1' 26 H2 26 8.738e+05 20.0 H1' 26 H8 26 2.440e+06 20.0 H8 26 H2 26 2.094e+05 20.0 1H2' 26 H8 27 4.723e+06 20.0 H1' 26 H1' 27 1.006e+06 20.0 H1' 26 H8 27 3.150e+06 20.0 H2 26 H1' 27 4.072e+06 20.0 H2 26 H2 27 1.328e+06 20.0 H2 26 H8 27 8.010e+05 20.0 H8 26 H8 27 1.245e+06 20.0 H1' 27 H2 27 7.101e+05 20.0 H1' 27 H8 27 1.681e+06 20.0 1H2' 27 H8 28 1.115e+07 20.0 H1' 27 H1' 28 8.861e+05 39.6 H1' 27 H8 28 2.157e+06 20.0 H2 27 H1' 28 4.435e+06 20.0 H2 27 H8 28 6.266e+05 20.0 H8 27 H8 28 7.622e+05 20.0 1H2' 28 H2 27 1.130e+06 20.0 1H2' 28 H1' 28 6.045e+06 20.0 H1' 28 H8 28 1.925e+06 20.0 1H2' 28 H8 29 6.584e+06 20.0 H1' 28 H1' 29 9.299e+05 20.0 H8 28 H8 29 9.845e+05 20.0 H1' 29 H2 29 9.518e+05 20.0 H1' 29 H8 29 2.677e+06 20.0 H1' 29 H1' 30 1.226e+06 20.0 H2 29 H1' 30 3.424e+06 20.0 H2 29 H8 30 1.102e+06 20.0 H2 29 H6 41 4.970e+05 20.0 inter H1' 30 H8 30 2.670e+06 20.0 H1' 30 H1' 31 9.144e+05 20.0 H1' 31 H2 29 1.013e+06 20.0 H8 31 H1' 30 9.333e+05 20.0 1H2' 31 H1' 31 7.941e+06 20.0 H1' 31 H8 31 4.813e+06 20.0 1H2' 31 H6 32 5.341e+06 20.0 H1' 31 H1' 32 7.555e+05 20.0 H1' 31 H5 32 2.935e+06 20.0 H1' 31 H6 32 2.407e+06 20.0 H8 31 H5 32 1.419e+06 20.0 H8 31 H6 32 1.309e+06 20.0 H5 32 H6 32 7.173e+06 20.0 H1' 32 H1' 33 8.856e+05 20.0 H1' 33 H8 33 2.672e+06 20.0 H1' 33 H1' 34 8.872e+05 38.7 H1' 33 H5 34 1.970e+06 20.0 H1' 33 H6 34 3.604e+06 20.0 H8 33 H5 34 9.409e+05 20.0 H5 34 H1' 34 1.308e+06 20.0 H5 34 H6 34 4.315e+06 20.0 1H2' 34 H1' 35 1.815e+06 20.0 H1' 34 H1' 35 1.052e+06 20.0 H1' 34 H5 35 2.643e+06 20.0 H5 34 H5 35 2.250e+06 20.0 H6 34 H5 35 9.861e+05 21.9 H1' 34 H2 37 1.304e+06 20.0 inter H6 35 H5 34 1.165e+06 20.0 1H2' 35 H1' 35 1.000e+07 20.0 1H2' 35 H6 35 4.008e+06 20.0 H1' 35 H5 35 1.844e+06 20.0 H1' 35 H6 35 2.843e+06 20.0 H5 35 H6 35 6.077e+06 20.0 1H2' 36 H1' 36 4.807e+06 20.0 1H2' 36 H8 36 3.564e+06 20.0 H1' 36 H8 36 3.312e+06 20.0 H3' 36 H1' 36 4.698e+06 20.0 H3' 36 H8 36 3.991e+06 20.0 1H2' 36 H1' 37 9.823e+05 20.0 1H2' 36 H8 37 3.084e+06 20.0 H1' 36 H1' 37 9.069e+05 20.0 H1' 36 H8 37 3.274e+06 20.0 H3' 36 H8 37 3.854e+06 20.0 H8 36 H8 37 2.432e+06 20.0 H2 37 H1' 35 2.614e+06 20.0 Pk1: inter Pk2: inter 1H2' 37 H1' 37 6.541e+06 20.0 1H2' 37 H8 37 5.138e+06 20.0 H1' 37 H2 37 7.833e+05 20.0 H1' 37 H8 37 1.863e+06 20.0 1H2' 37 H5 38 4.985e+06 20.0 H1' 37 H1' 38 1.010e+06 20.0 H1' 37 H5 38 2.007e+06 20.0 H1' 37 H6 38 2.543e+06 20.0 H8 37 H5 38 1.112e+06 35.3 H5 38 H2 37 6.679e+05 20.0 H1' 38 H5 38 1.944e+06 20.0 H5 38 H6 38 4.242e+06 20.0 H1' 38 H1' 39 7.042e+05 20.0 1H2' 39 H1' 39 3.510e+06 20.0 1H2' 39 H8 39 2.346e+06 20.0 H1' 39 H8 39 1.789e+06 20.0 1H2' 39 H1' 40 2.020e+06 20.0 1H2' 39 H8 40 2.369e+06 20.0 H1' 39 H1' 40 1.008e+06 40.9 H1' 39 H8 40 1.333e+06 20.0 H1' 40 H8 40 2.256e+06 20.0 1H2' 40 H5 41 5.298e+06 20.0 H1' 40 H5 41 1.186e+06 20.0 H1' 40 H6 41 1.673e+06 20.0 H8 40 H5 41 9.988e+05 20.0 H8 40 H6 41 6.255e+05 20.0 H1' 41 H2 29 2.718e+06 20.0 Pk1: inter Pk2: inter H1' 41 H1' 40 5.760e+05 20.0 1H2' 41 H1' 41 3.462e+06 20.0 1H2' 41 H5 41 6.771e+05 20.0 H1' 41 H5 41 9.888e+05 20.0 H5 41 H6 41 4.011e+06 20.0 1H2' 41 H5 42 2.115e+06 20.0 1H2' 41 H6 42 3.933e+06 20.0 H5 41 H5 42 1.670e+06 20.0 H6 41 H5 42 1.059e+06 20.0 H5 42 H6 42 4.636e+06 20.0 H1' 42 H1' 43 1.597e+06 20.0 H1' 42 H5 43 3.041e+06 22.1 H5 42 H5 43 1.952e+06 20.0 H1' 43 H2 26 5.760e+05 20.0 Pk1: inter Pk2: inter H6 43 H2 26 2.585e+05 20.0 inter H1' 43 H1' 27 2.724e+05 24.3 Pk1: inter Pk2: inter H1' 43 H2 27 2.760e+06 20.0 Pk1: inter Pk2: inter H5 43 H2 27 5.115e+05 20.0 Pk1: inter Pk2: inter H1' 43 H1' 28 5.192e+05 20.0 inter H1' 43 H6 43 2.074e+06 20.0 H1' 43 H1' 44 8.068e+05 20.0 H6 43 H8 44 1.216e+06 20.0 H1' 44 H2 26 2.392e+06 20.0 Pk1: inter Pk2: inter H8 44 H2 26 4.536e+05 20.0 Pk1: inter Pk2: inter H1' 44 H2 27 2.342e+05 20.0 Pk1: inter Pk2: inter H8 44 H2 27 4.092e+05 20.0 Pk1: inter Pk2: inter H1' 44 H8 44 1.837e+06 20.0 H1' 44 H1' 45 9.786e+05 20.0 H1' 44 H5 45 2.169e+06 20.0 H1' 44 H6 45 2.565e+06 20.0 H8 44 H5 45 1.926e+06 20.0 H8 44 H6 45 8.218e+05 26.9 H5 45 H2 26 4.194e+05 20.0 Pk1: inter Pk2: inter H1' 45 H6 45 1.677e+06 20.0 H1' 45 H1' 46 1.396e+06 20.0 H1' 45 H5 46 2.363e+06 20.0 H1' 45 H6 46 2.296e+06 20.0 H5 45 H5 46 3.152e+06 20.0 H5 45 H6 46 1.650e+06 20.0 H6 45 H5 46 1.824e+06 20.0 H6 45 H6 46 6.740e+05 20.0 1H2' 46 H1' 46 6.977e+06 20.0 1H2' 46 H6 46 2.263e+06 20.0 H1' 46 H5 46 2.498e+06 20.0 H1' 46 H6 46 2.548e+06 20.0 H5 46 H6 46 5.916e+06 20.0 1H2' 46 H8 47 4.386e+06 20.0 H1' 46 H8 47 3.687e+06 20.0 H6 46 H8 47 8.269e+05 20.0 1H2' 47 H8 47 3.114e+06 20.0 H1' 47 H8 47 3.228e+06 20.0 H3' 47 H8 47 2.934e+06 20.0 1H2' 47 H1' 48 1.327e+06 20.0 1H2' 47 H8 48 3.809e+06 20.0 H1' 47 H1' 48 7.083e+05 20.0 H1' 47 H8 48 2.629e+06 20.0 H3' 47 H8 48 2.987e+06 20.0 H8 47 H1' 48 3.052e+05 20.0 H8 47 H8 48 1.223e+06 20.0 H1' 48 H2 21 2.221e+05 20.0 inter H2 48 H2 21 1.959e+06 20.0 Pk1: inter Pk2: inter 1H2' 48 H1' 48 8.059e+06 20.0 1H2' 48 H8 48 3.945e+06 20.0 1H5' 48 H8 48 1.951e+06 20.0 H1' 48 H2 48 9.284e+05 20.0 H1' 48 H8 48 3.692e+06 20.0 H2 48 H8 48 2.132e+05 20.0 H3' 48 H1' 48 5.768e+06 20.0 H3' 48 H8 48 5.272e+06 20.0 H4' 48 H8 48 3.348e+06 20.0 1H2' 48 H1' 49 2.063e+06 20.0 1H2' 48 H8 49 2.677e+06 20.0 H1' 48 H2 49 3.103e+05 20.0 H1' 48 H8 49 1.954e+06 20.0 H2 48 H1' 49 2.106e+06 20.0 H2 48 H8 49 4.859e+05 20.0 H4' 48 H8 49 1.693e+06 20.0 H8 48 H1' 49 3.651e+05 20.0 H8 48 H8 49 1.230e+06 20.0 H1' 48 H8 50 3.299e+05 20.0 H2 48 H8 50 5.414e+05 20.0 H1' 49 H2 21 4.366e+05 20.0 Pk1: inter Pk2: inter H2 49 H1' 21 3.169e+05 20.0 inter H2 49 H2 21 2.059e+06 20.0 Pk1: inter Pk2: inter 1H2' 49 H1' 49 8.093e+06 20.0 1H2' 49 H8 49 6.134e+06 20.0 1H5' 49 H8 49 2.597e+06 20.0 2H5' 49 H8 49 2.128e+06 20.0 H1' 49 H2 49 1.047e+06 20.0 H1' 49 H8 49 4.309e+06 20.0 H2 49 H8 49 4.387e+05 20.0 H3' 49 H1' 49 6.058e+06 20.0 H4' 49 H8 49 2.710e+06 20.0 1H2' 49 H8 50 3.114e+06 20.0 H1' 49 H1' 50 5.882e+05 21.3 H1' 49 H8 50 1.782e+06 20.0 H2 49 H1' 50 2.313e+06 20.0 H2 49 H8 50 6.186e+05 20.0 H8 49 H8 50 1.361e+06 20.0 H1' 50 H2 21 2.662e+06 20.0 Pk1: inter Pk2: inter H1' 50 H1' 22 5.731e+05 31.5 Pk1: inter Pk2: inter H1' 50 H8 50 2.645e+06 20.0 H1' 50 H1' 51 9.269e+05 20.0 H1' 50 H5 51 3.847e+06 20.0 H1' 50 H6 51 2.221e+06 20.0 H1' 51 H5 51 1.495e+06 20.0 H1' 51 H6 51 2.457e+06 20.0 H5 51 H6 51 5.276e+06 20.0 H1' 51 H1' 52 1.075e+06 20.0 H1' 51 H8 52 3.200e+06 20.0 H5 51 H8 52 1.215e+06 20.0 H6 51 H8 52 1.057e+06 20.0 H1' 52 H8 52 2.133e+06 20.0 H1' 52 H6 53 2.891e+06 20.0 H5 53 H8 52 1.682e+06 20.0 H6 53 H8 52 6.824e+05 20.0 H1' 53 H5 53 2.007e+06 20.0 H1' 53 H6 53 2.014e+06 20.0 H5 53 H6 53 4.368e+06 20.0 H1' 53 H8 54 4.457e+06 20.0 H1' 54 H8 54 3.072e+06 20.0 H1' 54 H1' 55 1.334e+06 20.0 H1' 54 H6 55 2.188e+06 20.0 H1' 55 H6 55 2.701e+06 20.0 H5 55 H6 55 4.642e+06 20.0 H1' 55 H1' 56 9.308e+05 20.0 H1' 55 H8 56 2.570e+06 20.0 H5 55 H8 56 7.768e+05 20.0 H6 55 H8 56 5.854e+05 22.3 H1' 56 H8 56 2.078e+06 20.0 H8 56 H2 56 1.627e+05 20.0 H1' 56 H6 57 2.790e+06 20.0 H2 56 H1' 57 4.929e+06 20.0 H2 56 H6 57 1.286e+06 20.0 H8 56 H5 57 1.580e+06 20.0 H8 56 H6 57 1.545e+06 20.0 1H2' 57 H1' 57 9.756e+06 20.0 H1' 57 H1' 58 8.474e+05 20.0 1H2' 58 H8 58 3.118e+06 20.0 H1' 58 H8 58 2.258e+06 20.0 1H2' 58 H8 59 3.283e+06 20.0 H1' 58 H8 59 3.130e+06 20.0 H8 58 H8 59 1.205e+06 20.0 H1' 59 H8 59 1.804e+06 20.0 H1' 59 H1' 60 1.293e+06 20.0 H1' 59 H5 60 3.039e+06 20.0 H1' 59 H6 60 2.269e+06 20.0 H8 59 H5 60 9.104e+05 20.0 H8 59 H6 60 6.426e+05 20.0 H1' 60 H5 60 1.721e+06 20.0 H5 60 H6 60 4.628e+06 20.0 H1' 60 H1' 61 1.109e+06 20.0 H5 60 H8 61 8.572e+05 20.0 1H2' 61 H1' 61 7.555e+06 20.0 H1' 61 H2 61 8.738e+05 20.0 H1' 61 H8 61 2.440e+06 20.0 H8 61 H2 61 2.094e+05 20.0 1H2' 61 H8 62 4.723e+06 20.0 H1' 61 H1' 62 1.006e+06 20.0 H1' 61 H8 62 3.150e+06 20.0 H2 61 H1' 62 4.072e+06 20.0 H2 61 H2 62 1.328e+06 20.0 H2 61 H8 62 8.010e+05 20.0 H8 61 H8 62 1.245e+06 20.0 H1' 62 H2 62 7.101e+05 20.0 H1' 62 H8 62 1.681e+06 20.0 1H2' 62 H8 63 1.115e+07 20.0 H1' 62 H1' 63 8.861e+05 39.6 H1' 62 H8 63 2.157e+06 20.0 H2 62 H1' 63 4.435e+06 20.0 H2 62 H8 63 6.266e+05 20.0 H8 62 H8 63 7.622e+05 20.0 1H2' 63 H2 62 1.130e+06 20.0 1H2' 63 H1' 63 6.045e+06 20.0 H1' 63 H8 63 1.925e+06 20.0 1H2' 63 H8 64 6.584e+06 20.0 H1' 63 H1' 64 9.299e+05 20.0 H8 63 H8 64 9.845e+05 20.0 H2 64 H6 6 4.970e+05 20.0 inter H1' 64 H2 64 9.518e+05 20.0 H1' 64 H8 64 2.677e+06 20.0 H1' 64 H1' 65 1.226e+06 20.0 H2 64 H1' 65 3.424e+06 20.0 H2 64 H8 65 1.102e+06 20.0 H1' 65 H8 65 2.670e+06 20.0 H1' 65 H1' 66 9.144e+05 20.0 H1' 66 H2 64 1.013e+06 20.0 H8 66 H1' 65 9.333e+05 20.0 1H2' 66 H1' 66 7.941e+06 20.0 H1' 66 H8 66 4.813e+06 20.0 1H2' 66 H6 67 5.341e+06 20.0 H1' 66 H1' 67 7.555e+05 20.0 H1' 66 H5 67 2.935e+06 20.0 H1' 66 H6 67 2.407e+06 20.0 H8 66 H5 67 1.419e+06 20.0 H8 66 H6 67 1.309e+06 20.0 H5 67 H6 67 7.173e+06 20.0 H1' 67 H1' 68 8.856e+05 20.0 H1' 68 H8 68 2.672e+06 20.0 H1' 68 H1' 69 8.872e+05 38.7 H1' 68 H5 69 1.970e+06 20.0 H1' 68 H6 69 3.604e+06 20.0 H8 68 H5 69 9.409e+05 20.0 H1' 69 H2 2 1.304e+06 20.0 inter H5 69 H1' 69 1.308e+06 20.0 H5 69 H6 69 4.315e+06 20.0 1H2' 69 H1' 70 1.815e+06 20.0 H1' 69 H1' 70 1.052e+06 20.0 H1' 69 H5 70 2.643e+06 20.0 H5 69 H5 70 2.250e+06 20.0 H6 69 H5 70 9.861e+05 21.9 H6 70 H5 69 1.165e+06 20.0 1H2' 70 H1' 70 1.000e+07 20.0 1H2' 70 H6 70 4.008e+06 20.0 H1' 70 H5 70 1.844e+06 20.0 H1' 70 H6 70 2.843e+06 20.0 H5 70 H6 70 6.077e+06 20.0
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