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 | subtype | subsubtype |
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20847 |
2gm0   |
7098 | cing | 1-original | 2 | MARDIGRAS/CORMA | distance | NOE | simple |
# (1) Distance restraints # # Distance restraints involving nonexchangeable protons were calculated with the # MARDIGRAS program using RandMardi procedure from integrated intensities # in the D2O NOESY datasets at 15, 50, 75, 150, and 300 ms. Refer to the # publication for the details of calculations. # # Fixed distances and intra-sugar distances with low variation (such as H1'-H2') # were excluded from the list of restraints. # # Restraints commented out with "#" were not used in the final rounds of # refinement. # # All distances are in angstrom. # # # Cleaned from x.mardi Mon Dec 19 11:32:50 2005 #inp= RR/30_32_4mix.mardi * filter= filter *** Mon Dec 19 11:30:49 2005 ATOM- i ATOM- j r_low r_up k_low k_up H8 1 1H2' 1 2.430 3.350 10.00 10.00 H8 36 1H2' 36 2.430 3.350 10.00 10.00 H8 2 1H2' 1 2.060 3.360 10.00 10.00 H8 37 1H2' 36 2.060 3.360 10.00 10.00 H8 2 H3' 1 2.790 3.690 10.00 10.00 H8 37 H3' 36 2.790 3.690 10.00 10.00 H8 2 1H2' 2 2.420 4.400 10.00 10.00 H8 37 1H2' 37 2.420 4.400 10.00 10.00 H1' 3 H2 2 2.870 3.370 10.00 10.00 H1' 38 H2 37 2.870 3.370 10.00 10.00 H6 3 1H2' 2 1.880 2.740 10.00 10.00 H6 38 1H2' 37 1.880 2.740 10.00 10.00 H8 5 1H2' 4 2.630 3.480 10.00 10.00 H8 40 1H2' 39 2.630 3.480 10.00 10.00 H8 5 H1' 5 3.140 4.140 10.00 10.00 H8 40 H1' 40 3.140 4.140 10.00 10.00 H6 6 1H2' 5 2.600 2.850 10.00 10.00 H6 41 1H2' 40 2.600 2.850 10.00 10.00 H5 7 1H2' 6 3.270 5.590 10.00 10.00 H5 42 1H2' 41 3.270 5.590 10.00 10.00 H6 7 1H2' 6 2.360 3.260 10.00 10.00 H6 42 1H2' 41 2.360 3.260 10.00 10.00 H6 8 1H2' 7 2.250 2.460 10.00 10.00 H6 43 1H2' 42 2.250 2.460 10.00 10.00 H8 9 1H2' 8 2.040 2.550 10.00 10.00 H8 44 1H2' 43 2.040 2.550 10.00 10.00 H6 10 1H2' 9 1.970 2.210 10.00 10.00 H6 45 1H2' 44 1.970 2.210 10.00 10.00 H6 10 H3' 10 2.290 2.810 10.00 10.00 H6 45 H3' 45 2.290 2.810 10.00 10.00 H6 11 1H2' 10 2.070 2.720 10.00 10.00 H6 46 1H2' 45 2.070 2.720 10.00 10.00 H4' 12 H1' 12 2.750 3.330 10.00 10.00 H4' 47 H1' 47 2.750 3.330 10.00 10.00 H8 12 1H2' 11 2.030 2.770 10.00 10.00 H8 47 1H2' 46 2.030 2.770 10.00 10.00 H8 12 1H2' 12 2.360 4.770 10.00 10.00 H8 47 1H2' 47 2.360 4.770 10.00 10.00 H8 12 H3' 12 2.540 4.030 10.00 10.00 H8 47 H3' 47 2.540 4.030 10.00 10.00 H4' 13 H1' 13 2.630 5.420 10.00 10.00 H4' 48 H1' 48 2.630 5.420 10.00 10.00 H2 13 H1' 13 3.520 6.200 10.00 10.00 H2 48 H1' 48 3.520 6.200 10.00 10.00 H8 13 1H2' 12 2.200 5.180 10.00 10.00 H8 48 1H2' 47 2.200 5.180 10.00 10.00 H8 13 H3' 12 2.730 4.580 10.00 10.00 H8 48 H3' 47 2.730 4.580 10.00 10.00 H8 13 1H2' 13 2.290 3.350 10.00 10.00 H8 48 1H2' 48 2.290 3.350 10.00 10.00 H8 13 H1' 13 2.860 6.360 10.00 10.00 H8 48 H1' 48 2.860 6.360 10.00 10.00 #H8 13 H3' 13 2.370 3.160 10.00 10.00 #H8 48 H3' 48 2.370 3.160 10.00 10.00 H1' 14 H2 13 3.210 4.090 10.00 10.00 H1' 49 H2 48 3.210 4.090 10.00 10.00 H4' 14 H1' 14 2.590 4.430 10.00 10.00 H4' 49 H1' 49 2.590 4.430 10.00 10.00 H8 14 1H2' 13 2.680 3.570 10.00 10.00 H8 49 1H2' 48 2.680 3.570 10.00 10.00 H8 14 2H5' 14 2.800 7.420 10.00 10.00 H8 49 2H5' 49 2.800 7.420 10.00 10.00 H8 14 1H2' 14 2.190 3.220 10.00 10.00 H8 49 1H2' 49 2.190 3.220 10.00 10.00 H8 14 H1' 14 2.830 6.340 10.00 10.00 H8 49 H1' 49 2.830 6.340 10.00 10.00 H1' 15 H2 14 3.410 4.050 10.00 10.00 H1' 50 H2 49 3.410 4.050 10.00 10.00 H8 15 1H2' 14 2.500 3.280 10.00 10.00 H8 50 1H2' 49 2.500 3.280 10.00 10.00 H8 15 H1' 14 3.460 7.520 10.00 10.00 H8 50 H1' 49 3.460 7.520 10.00 10.00 H8 15 H1' 15 3.220 4.110 10.00 10.00 H8 50 H1' 50 3.220 4.110 10.00 10.00 H6 16 1H2' 15 2.260 2.940 10.00 10.00 H6 51 1H2' 50 2.260 2.940 10.00 10.00 H8 17 1H2' 16 1.850 2.100 10.00 10.00 H8 52 1H2' 51 1.850 2.100 10.00 10.00 H8 17 H1' 17 3.060 4.260 10.00 10.00 H8 52 H1' 52 3.060 4.260 10.00 10.00 H6 18 1H2' 17 1.970 2.210 10.00 10.00 H6 53 1H2' 52 1.970 2.210 10.00 10.00 H6 18 H1' 18 3.060 4.540 10.00 10.00 H6 53 H1' 53 3.060 4.540 10.00 10.00 H8 19 H1' 19 3.490 5.390 10.00 10.00 H8 54 H1' 54 3.490 5.390 10.00 10.00 #H4' 21 H1' 21 3.340 4.590 10.00 10.00 #H4' 56 H1' 56 3.340 4.590 10.00 10.00 H8 21 1H2' 20 2.350 2.590 10.00 10.00 H8 56 1H2' 55 2.350 2.590 10.00 10.00 H8 21 H1' 21 3.230 4.010 10.00 10.00 H8 56 H1' 56 3.230 4.010 10.00 10.00 H1' 22 H2 21 2.890 3.360 10.00 10.00 H1' 57 H2 56 2.890 3.360 10.00 10.00 H1' 23 1H2' 22 3.280 3.880 10.00 10.00 H1' 58 1H2' 57 3.280 3.880 10.00 10.00 H8 23 H1' 23 3.450 4.450 10.00 10.00 H8 58 H1' 58 3.450 4.450 10.00 10.00 H8 24 1H2' 23 2.310 3.020 10.00 10.00 H8 59 1H2' 58 2.310 3.020 10.00 10.00 H8 24 H1' 24 3.440 4.630 10.00 10.00 H8 59 H1' 59 3.440 4.630 10.00 10.00 H6 25 1H2' 24 2.010 2.230 10.00 10.00 H6 60 1H2' 59 2.010 2.230 10.00 10.00 H8 26 1H2' 25 2.170 2.370 10.00 10.00 H8 61 1H2' 60 2.170 2.370 10.00 10.00 H8 26 H1' 26 3.110 5.770 10.00 10.00 H8 61 H1' 61 3.110 5.770 10.00 10.00 H1' 27 H2 26 3.000 3.470 10.00 10.00 H1' 62 H2 61 3.000 3.470 10.00 10.00 H8 27 1H2' 26 2.340 2.830 10.00 10.00 H8 62 1H2' 61 2.340 2.830 10.00 10.00 H8 27 H1' 26 3.540 7.170 10.00 10.00 H8 62 H1' 61 3.540 7.170 10.00 10.00 H8 27 H3' 26 3.010 5.050 10.00 10.00 H8 62 H3' 61 3.010 5.050 10.00 10.00 H8 27 H1' 27 3.300 5.600 10.00 10.00 H8 62 H1' 62 3.300 5.600 10.00 10.00 H1' 28 H2 27 2.930 3.510 10.00 10.00 H1' 63 H2 62 2.930 3.510 10.00 10.00 H8 28 1H2' 27 2.150 2.710 10.00 10.00 H8 63 1H2' 62 2.150 2.710 10.00 10.00 H8 29 1H2' 28 2.230 2.910 10.00 10.00 H8 64 1H2' 63 2.230 2.910 10.00 10.00 H8 29 H1' 29 2.610 4.700 10.00 10.00 H8 64 H1' 64 2.610 4.700 10.00 10.00 H1' 30 H2 29 3.300 4.150 10.00 10.00 H1' 65 H2 64 3.300 4.150 10.00 10.00 H8 30 1H2' 30 3.080 4.480 10.00 10.00 H8 65 1H2' 65 3.080 4.480 10.00 10.00 H8 31 H1' 31 2.830 3.510 10.00 10.00 H8 66 H1' 66 2.830 3.510 10.00 10.00 H6 32 1H2' 31 2.720 3.690 10.00 10.00 H6 67 1H2' 66 2.720 3.690 10.00 10.00 H6 32 H3' 31 2.940 5.710 10.00 10.00 H6 67 H3' 66 2.940 5.710 10.00 10.00 H8 33 1H2' 32 1.950 2.170 10.00 10.00 H8 68 1H2' 67 1.950 2.170 10.00 10.00 H6 34 1H2' 33 2.150 2.360 10.00 10.00 H6 69 1H2' 68 2.150 2.360 10.00 10.00 H5 35 H5 34 3.400 4.360 10.00 10.00 H5 70 H5 69 3.400 4.360 10.00 10.00 H6 35 1H2' 34 1.880 2.930 10.00 10.00 H6 70 1H2' 69 1.880 2.930 10.00 10.00 H2 37 H1' 35 3.240 3.990 10.00 10.00 H2 2 H1' 70 3.240 3.990 10.00 10.00 H1' 41 H2 29 3.330 4.100 10.00 10.00 H1' 6 H2 64 3.330 4.100 10.00 10.00 H1' 43 H2 27 3.140 3.680 10.00 10.00 H1' 8 H2 62 3.140 3.680 10.00 10.00 H1' 44 H2 26 2.990 3.850 10.00 10.00 H1' 9 H2 61 2.990 3.850 10.00 10.00 H1' 50 H2 21 3.190 3.750 10.00 10.00 H1' 15 H2 56 3.190 3.750 10.00 10.00 H8 1 H1' 1 3.440 6.960 10.00 10.00 H8 36 H1' 36 3.440 6.960 10.00 10.00 H8 1 H3' 1 2.760 5.410 10.00 10.00 H8 36 H3' 36 2.760 5.410 10.00 10.00 H2 2 H1' 2 4.240 5.370 10.00 10.00 H2 37 H1' 37 4.240 5.370 10.00 10.00 H8 2 H1' 1 3.100 6.180 10.00 10.00 H8 37 H1' 36 3.100 6.180 10.00 10.00 H8 2 H1' 2 3.140 6.690 10.00 10.00 H8 37 H1' 37 3.140 6.690 10.00 10.00 H5 3 H1' 2 4.010 7.540 10.00 10.00 H5 38 H1' 37 4.010 7.540 10.00 10.00 H5 3 H8 2 3.620 7.010 10.00 10.00 H5 38 H8 37 3.620 7.010 10.00 10.00 H6 3 H1' 2 2.960 7.040 10.00 10.00 H6 38 H1' 37 2.960 7.040 10.00 10.00 H8 4 H1' 4 3.440 5.090 10.00 10.00 H8 39 H1' 39 3.440 5.090 10.00 10.00 H8 5 H1' 4 3.940 7.950 10.00 10.00 H8 40 H1' 39 3.940 7.950 10.00 10.00 H6 6 H1' 5 4.390 7.160 10.00 10.00 H6 41 H1' 40 4.390 7.160 10.00 10.00 H5 7 H5 6 3.250 4.040 10.00 10.00 H5 42 H5 41 3.250 4.040 10.00 10.00 H5 7 H6 6 3.240 5.950 10.00 10.00 H5 42 H6 41 3.240 5.950 10.00 10.00 H6 8 H1' 8 3.050 4.470 10.00 10.00 H6 43 H1' 43 3.050 4.470 10.00 10.00 H8 9 H1' 9 3.210 5.680 10.00 10.00 H8 44 H1' 44 3.210 5.680 10.00 10.00 H5 10 H1' 9 4.720 7.690 10.00 10.00 H5 45 H1' 44 4.720 7.690 10.00 10.00 H5 10 H3' 10 3.410 7.240 10.00 10.00 H5 45 H3' 45 3.410 7.240 10.00 10.00 H6 10 H1' 9 3.130 6.320 10.00 10.00 H6 45 H1' 44 3.130 6.320 10.00 10.00 H6 10 H1' 10 3.280 5.630 10.00 10.00 H6 45 H1' 45 3.280 5.630 10.00 10.00 H5 11 H5 10 3.090 3.560 10.00 10.00 H5 46 H5 45 3.090 3.560 10.00 10.00 H5 11 H6 10 2.830 6.730 10.00 10.00 H5 46 H6 45 2.830 6.730 10.00 10.00 H6 11 H1' 10 3.430 7.640 10.00 10.00 H6 46 H1' 45 3.430 7.640 10.00 10.00 H6 11 H3' 10 2.860 3.730 10.00 10.00 H6 46 H3' 45 2.860 3.730 10.00 10.00 H6 11 1H2' 11 2.430 7.010 10.00 10.00 H6 46 1H2' 46 2.430 7.010 10.00 10.00 H6 11 H1' 11 3.080 6.140 10.00 10.00 H6 46 H1' 46 3.080 6.140 10.00 10.00 H8 12 H1' 11 3.010 7.540 10.00 10.00 H8 47 H1' 46 3.010 7.540 10.00 10.00 H8 12 H1' 12 2.850 6.970 10.00 10.00 H8 47 H1' 47 2.850 6.970 10.00 10.00 H8 12 H4' 12 2.780 6.900 10.00 10.00 H8 47 H4' 47 2.780 6.900 10.00 10.00 H8 13 H1' 12 2.770 7.740 10.00 10.00 H8 48 H1' 47 2.770 7.740 10.00 10.00 H8 13 1H5' 13 2.700 6.040 10.00 10.00 H8 48 1H5' 48 2.700 6.040 10.00 10.00 H8 13 2H5' 13 3.460 6.430 10.00 10.00 H8 48 2H5' 48 3.460 6.430 10.00 10.00 H8 13 H4' 13 3.100 7.790 10.00 10.00 H8 48 H4' 48 3.100 7.790 10.00 10.00 H1' 14 1H2' 13 3.040 6.930 10.00 10.00 H1' 49 1H2' 48 3.040 6.930 10.00 10.00 H2 14 H1' 13 4.300 6.390 10.00 10.00 H2 49 H1' 48 4.300 6.390 10.00 10.00 H2 14 H1' 14 3.700 5.530 10.00 10.00 H2 49 H1' 49 3.700 5.530 10.00 10.00 H8 14 H1' 13 3.410 6.980 10.00 10.00 H8 49 H1' 48 3.410 6.980 10.00 10.00 H8 14 H4' 13 3.600 7.590 10.00 10.00 H8 49 H4' 48 3.600 7.590 10.00 10.00 H8 14 1H5' 14 2.960 6.710 10.00 10.00 H8 49 1H5' 49 2.960 6.710 10.00 10.00 H8 14 H4' 14 3.690 7.680 10.00 10.00 H8 49 H4' 49 3.690 7.680 10.00 10.00 H8 15 H2 14 4.410 6.120 10.00 10.00 H8 50 H2 49 4.410 6.120 10.00 10.00 H8 15 H8 14 3.730 7.660 10.00 10.00 H8 50 H8 49 3.730 7.660 10.00 10.00 H1' 16 1H2' 15 3.280 4.260 10.00 10.00 H1' 51 1H2' 50 3.280 4.260 10.00 10.00 H5 16 H1' 15 3.490 7.110 10.00 10.00 H5 51 H1' 50 3.490 7.110 10.00 10.00 H6 16 H1' 15 2.680 7.430 10.00 10.00 H6 51 H1' 50 2.680 7.430 10.00 10.00 H6 16 H1' 16 2.890 4.130 10.00 10.00 H6 51 H1' 51 2.890 4.130 10.00 10.00 H8 17 H1' 16 3.240 7.550 10.00 10.00 H8 52 H1' 51 3.240 7.550 10.00 10.00 H6 18 H1' 17 3.230 7.510 10.00 10.00 H6 53 H1' 52 3.230 7.510 10.00 10.00 H8 19 H1' 18 3.140 6.090 10.00 10.00 H8 54 H1' 53 3.140 6.090 10.00 10.00 H1' 20 H1' 19 4.400 7.510 10.00 10.00 H1' 55 H1' 54 4.400 7.510 10.00 10.00 H6 20 H1' 19 3.280 6.500 10.00 10.00 H6 55 H1' 54 3.280 6.500 10.00 10.00 H6 20 H1' 20 3.120 4.500 10.00 10.00 H6 55 H1' 55 3.120 4.500 10.00 10.00 H8 21 H1' 20 3.650 6.820 10.00 10.00 H8 56 H1' 55 3.650 6.820 10.00 10.00 H5 22 H8 21 3.060 5.210 10.00 10.00 H5 57 H8 56 3.060 5.210 10.00 10.00 H6 22 H1' 21 3.800 7.330 10.00 10.00 H6 57 H1' 56 3.800 7.330 10.00 10.00 H8 23 1H2' 23 2.930 5.550 10.00 10.00 H8 58 1H2' 58 2.930 5.550 10.00 10.00 H8 24 H1' 23 3.700 7.330 10.00 10.00 H8 59 H1' 58 3.700 7.330 10.00 10.00 H8 24 H8 23 3.440 7.640 10.00 10.00 H8 59 H8 58 3.440 7.640 10.00 10.00 H5 25 H1' 24 3.380 7.660 10.00 10.00 H5 60 H1' 59 3.380 7.660 10.00 10.00 H5 25 H8 24 3.420 5.770 10.00 10.00 H5 60 H8 59 3.420 5.770 10.00 10.00 H6 25 H1' 24 3.270 7.360 10.00 10.00 H6 60 H1' 59 3.270 7.360 10.00 10.00 H6 25 H8 24 2.660 7.620 10.00 10.00 H6 60 H8 59 2.660 7.620 10.00 10.00 H6 25 H1' 25 3.420 4.100 10.00 10.00 H6 60 H1' 60 3.420 4.100 10.00 10.00 H4' 26 H1' 26 2.870 3.120 10.00 10.00 H4' 61 H1' 61 2.870 3.120 10.00 10.00 H2 26 H1' 26 3.620 6.000 10.00 10.00 H2 61 H1' 61 3.620 6.000 10.00 10.00 H8 26 H6 25 4.600 6.300 10.00 10.00 H8 61 H6 60 4.600 6.300 10.00 10.00 H2 27 H2 26 4.020 4.630 10.00 10.00 H2 62 H2 61 4.020 4.630 10.00 10.00 H2 27 H1' 27 4.140 5.160 10.00 10.00 H2 62 H1' 62 4.140 5.160 10.00 10.00 H8 27 H8 26 3.040 5.510 10.00 10.00 H8 62 H8 61 3.040 5.510 10.00 10.00 H8 28 H1' 27 3.800 6.990 10.00 10.00 H8 63 H1' 62 3.800 6.990 10.00 10.00 H8 28 H2 27 4.110 5.660 10.00 10.00 H8 63 H2 62 4.110 5.660 10.00 10.00 H8 28 1H2' 28 3.690 7.360 10.00 10.00 H8 63 1H2' 63 3.690 7.360 10.00 10.00 H8 28 H1' 28 3.520 5.190 10.00 10.00 H8 63 H1' 63 3.520 5.190 10.00 10.00 H1' 29 1H2' 28 3.180 4.150 10.00 10.00 H1' 64 1H2' 63 3.180 4.150 10.00 10.00 H8 29 H8 28 3.380 7.380 10.00 10.00 H8 64 H8 63 3.380 7.380 10.00 10.00 H8 30 H1' 30 2.900 3.910 10.00 10.00 H8 65 H1' 65 2.900 3.910 10.00 10.00 H5 32 H1' 31 3.060 6.690 10.00 10.00 H5 67 H1' 66 3.060 6.690 10.00 10.00 H6 32 H1' 31 2.790 5.510 10.00 10.00 H6 67 H1' 66 2.790 5.510 10.00 10.00 H8 33 H1' 33 2.860 4.660 10.00 10.00 H8 68 H1' 68 2.860 4.660 10.00 10.00 H6 34 H1' 33 2.730 7.390 10.00 10.00 H6 69 H1' 68 2.730 7.390 10.00 10.00 H1' 35 1H2' 34 2.910 6.510 10.00 10.00 H1' 70 1H2' 69 2.910 6.510 10.00 10.00 H5 35 1H2' 34 3.060 6.750 10.00 10.00 H5 70 1H2' 69 3.060 6.750 10.00 10.00 H5 35 1H2' 35 3.130 6.020 10.00 10.00 H5 70 1H2' 70 3.130 6.020 10.00 10.00 H6 35 1H2' 35 2.630 5.620 10.00 10.00 H6 70 1H2' 70 2.630 5.620 10.00 10.00 H6 35 H1' 35 2.730 5.940 10.00 10.00 H6 70 H1' 70 2.730 5.940 10.00 10.00 H5 43 H2 27 4.260 5.690 10.00 10.00 H5 8 H2 62 4.260 5.690 10.00 10.00 H2 48 H2 21 4.070 5.270 10.00 10.00 H2 13 H2 56 4.070 5.270 10.00 10.00 H2 48 H1' 22 4.320 6.010 10.00 10.00 H2 13 H1' 57 4.320 6.010 10.00 10.00 H2 49 H2 21 3.900 4.630 10.00 10.00 H2 14 H2 56 3.900 4.630 10.00 10.00 H1' 2 H1' 1 3.670 7.470 10.00 10.00 H1' 37 H1' 36 3.670 7.470 10.00 10.00 H6 3 H1' 3 3.320 4.540 10.00 10.00 H6 38 H1' 38 3.320 4.540 10.00 10.00 H5 8 H5 7 3.730 4.490 10.00 10.00 H5 43 H5 42 3.730 4.490 10.00 10.00 H5 8 H6 7 3.910 5.170 10.00 10.00 H5 43 H6 42 3.910 5.170 10.00 10.00 H6 8 H1' 7 3.360 5.810 10.00 10.00 H6 43 H1' 42 3.360 5.810 10.00 10.00 H8 9 H6 8 2.850 6.100 10.00 10.00 H8 44 H6 43 2.850 6.100 10.00 10.00 H5 11 H1' 10 3.120 7.010 10.00 10.00 H5 46 H1' 45 3.120 7.010 10.00 10.00 H8 13 H8 12 2.800 7.420 10.00 10.00 H8 48 H8 47 2.800 7.420 10.00 10.00 H1' 16 H1' 15 4.070 7.060 10.00 10.00 H1' 51 H1' 50 4.070 7.060 10.00 10.00 H5 16 H1' 16 4.480 7.670 10.00 10.00 H5 51 H1' 51 4.480 7.670 10.00 10.00 H8 17 H5 16 3.950 6.230 10.00 10.00 H8 52 H5 51 3.950 6.230 10.00 10.00 H5 18 H1' 17 4.390 7.370 10.00 10.00 H5 53 H1' 52 4.390 7.370 10.00 10.00 H5 18 H8 17 3.550 4.140 10.00 10.00 H5 53 H8 52 3.550 4.140 10.00 10.00 H5 18 H1' 18 4.350 7.820 10.00 10.00 H5 53 H1' 53 4.350 7.820 10.00 10.00 H5 20 H1' 19 4.240 6.950 10.00 10.00 H5 55 H1' 54 4.240 6.950 10.00 10.00 H1' 21 H1' 20 4.070 7.470 10.00 10.00 H1' 56 H1' 55 4.070 7.470 10.00 10.00 H1' 24 1H2' 23 3.230 3.630 10.00 10.00 H1' 59 1H2' 58 3.230 3.630 10.00 10.00 H8 26 1H2' 26 3.890 5.920 10.00 10.00 H8 61 1H2' 61 3.890 5.920 10.00 10.00 H8 26 H3' 26 2.520 2.870 10.00 10.00 H8 61 H3' 61 2.520 2.870 10.00 10.00 H1' 27 1H2' 26 3.110 3.440 10.00 10.00 H1' 62 1H2' 61 3.110 3.440 10.00 10.00 H2 27 1H2' 27 3.830 4.890 10.00 10.00 H2 62 1H2' 62 3.830 4.890 10.00 10.00 H8 27 H2 26 4.430 7.070 10.00 10.00 H8 62 H2 61 4.430 7.070 10.00 10.00 H2 29 H1' 29 3.810 5.040 10.00 10.00 H2 64 H1' 64 3.810 5.040 10.00 10.00 #H8 29 H3' 29 2.310 2.960 10.00 10.00 #H8 64 H3' 64 2.310 2.960 10.00 10.00 H1' 31 H2 29 3.320 5.000 10.00 10.00 H1' 66 H2 64 3.320 5.000 10.00 10.00 H8 31 1H2' 31 3.420 3.950 10.00 10.00 H8 66 1H2' 66 3.420 3.950 10.00 10.00 H8 31 H3' 31 4.070 7.390 10.00 10.00 H8 66 H3' 66 4.070 7.390 10.00 10.00 H6 35 H1' 34 3.310 5.580 10.00 10.00 H6 70 H1' 69 3.310 5.580 10.00 10.00 H2 37 H1' 34 4.120 4.840 10.00 10.00 H2 2 H1' 69 4.120 4.840 10.00 10.00 H1' 2 1H2' 1 3.150 5.430 10.00 10.00 H1' 37 1H2' 36 3.150 5.430 10.00 10.00 H8 2 H8 1 3.780 6.290 10.00 10.00 H8 37 H8 36 3.780 6.290 10.00 10.00 H5 3 1H2' 2 2.740 3.750 10.00 10.00 H5 38 1H2' 37 2.740 3.750 10.00 10.00 H5 3 H1' 3 5.480 7.220 10.00 10.00 H5 38 H1' 38 5.480 7.220 10.00 10.00 H8 4 1H2' 4 2.810 5.030 10.00 10.00 H8 39 1H2' 39 2.810 5.030 10.00 10.00 H5 6 1H2' 5 3.070 6.490 10.00 10.00 H5 41 1H2' 40 3.070 6.490 10.00 10.00 H5 6 H1' 5 3.380 7.270 10.00 10.00 H5 41 H1' 40 3.380 7.270 10.00 10.00 H5 6 H1' 6 5.550 7.310 10.00 10.00 H5 41 H1' 41 5.550 7.310 10.00 10.00 H6 6 H8 5 3.910 7.190 10.00 10.00 H6 41 H8 40 3.910 7.190 10.00 10.00 H1' 9 H1' 8 4.840 7.860 10.00 10.00 H1' 44 H1' 43 4.840 7.860 10.00 10.00 H1' 10 H1' 9 4.460 7.520 10.00 10.00 H1' 45 H1' 44 4.460 7.520 10.00 10.00 H5 10 H8 9 2.850 4.230 10.00 10.00 H5 45 H8 44 2.850 4.230 10.00 10.00 H1' 11 H1' 10 4.770 7.770 10.00 10.00 H1' 46 H1' 45 4.770 7.770 10.00 10.00 H1' 13 H1' 12 3.410 6.620 10.00 10.00 H1' 48 H1' 47 3.410 6.620 10.00 10.00 H4' 14 H1' 13 3.560 6.970 10.00 10.00 H4' 49 H1' 48 3.560 6.970 10.00 10.00 H2 14 1H2' 14 4.380 6.360 10.00 10.00 H2 49 1H2' 49 4.380 6.360 10.00 10.00 H5 16 1H2' 15 2.730 4.980 10.00 10.00 H5 51 1H2' 50 2.730 4.980 10.00 10.00 H1' 17 H1' 16 4.480 7.470 10.00 10.00 H1' 52 H1' 51 4.480 7.470 10.00 10.00 H8 17 H6 16 3.060 6.840 10.00 10.00 H8 52 H6 51 3.060 6.840 10.00 10.00 H8 19 H6 18 3.760 7.050 10.00 10.00 H8 54 H6 53 3.760 7.050 10.00 10.00 H5 20 H1' 20 4.170 7.770 10.00 10.00 H5 55 H1' 55 4.170 7.770 10.00 10.00 H8 21 H5 20 3.310 6.410 10.00 10.00 H8 56 H5 55 3.310 6.410 10.00 10.00 H6 22 H2 21 3.840 4.790 10.00 10.00 H6 57 H2 56 3.840 4.790 10.00 10.00 H1' 23 H1' 22 4.700 7.880 10.00 10.00 H1' 58 H1' 57 4.700 7.880 10.00 10.00 H5 25 H1' 25 5.430 7.560 10.00 10.00 H5 60 H1' 60 5.430 7.560 10.00 10.00 H1' 26 H1' 25 4.460 7.220 10.00 10.00 H1' 61 H1' 60 4.460 7.220 10.00 10.00 H2 26 1H2' 26 4.010 5.320 10.00 10.00 H2 61 1H2' 61 4.010 5.320 10.00 10.00 H1' 27 H1' 26 4.830 7.910 10.00 10.00 H1' 62 H1' 61 4.830 7.910 10.00 10.00 H1' 28 H1' 27 4.020 7.700 10.00 10.00 H1' 63 H1' 62 4.020 7.700 10.00 10.00 H8 28 H8 27 4.250 6.140 10.00 10.00 H8 63 H8 62 4.250 6.140 10.00 10.00 H1' 29 H1' 28 4.070 7.460 10.00 10.00 H1' 64 H1' 63 4.070 7.460 10.00 10.00 1H2' 30 H2 29 3.770 5.660 10.00 10.00 1H2' 65 H2 64 3.770 5.660 10.00 10.00 H1' 30 H1' 29 5.900 7.290 10.00 10.00 H1' 65 H1' 64 5.900 7.290 10.00 10.00 H8 30 H8 29 3.950 7.590 10.00 10.00 H8 65 H8 64 3.950 7.590 10.00 10.00 #H8 31 H3' 30 3.180 3.870 10.00 10.00 #H8 66 H3' 65 3.180 3.870 10.00 10.00 H1' 32 H1' 31 4.190 6.880 10.00 10.00 H1' 67 H1' 66 4.190 6.880 10.00 10.00 H5 32 1H2' 31 3.340 6.230 10.00 10.00 H5 67 1H2' 66 3.340 6.230 10.00 10.00 H5 32 H3' 31 3.160 5.890 10.00 10.00 H5 67 H3' 66 3.160 5.890 10.00 10.00 H5 32 H8 31 4.740 7.550 10.00 10.00 H5 67 H8 66 4.740 7.550 10.00 10.00 H1' 33 H1' 32 4.620 7.800 10.00 10.00 H1' 68 H1' 67 4.620 7.800 10.00 10.00 H6 34 H3' 33 2.410 3.540 10.00 10.00 H6 69 H3' 68 2.410 3.540 10.00 10.00 H5 35 H1' 34 3.890 7.880 10.00 10.00 H5 70 H1' 69 3.890 7.880 10.00 10.00 H5 35 H6 34 3.450 7.510 10.00 10.00 H5 70 H6 69 3.450 7.510 10.00 10.00 H5 35 H1' 35 3.290 7.020 10.00 10.00 H5 70 H1' 70 3.290 7.020 10.00 10.00 H1' 43 H2 26 4.380 5.250 10.00 10.00 H1' 8 H2 61 4.380 5.250 10.00 10.00 H6 43 H2 27 4.170 6.120 10.00 10.00 H6 8 H2 62 4.170 6.120 10.00 10.00 H8 44 H2 26 4.470 7.030 10.00 10.00 H8 9 H2 61 4.470 7.030 10.00 10.00 H2 48 H5 22 4.490 6.120 10.00 10.00 H2 13 H5 57 4.490 6.120 10.00 10.00 H5 69 H3' 68 3.960 4.390 10.00 10.00 H5 34 H3' 33 3.960 4.390 10.00 10.00 #inp= Mix_300/30_32.mardi * filter= filter *** Mon Dec 19 11:31:52 2005 H1' 3 H1' 2 4.400 7.290 10.00 10.00 H1' 38 H1' 37 4.400 7.290 10.00 10.00 H5 3 H2 2 5.040 7.690 10.00 10.00 H5 38 H2 37 5.040 7.690 10.00 10.00 H1' 4 H1' 3 4.770 7.750 10.00 10.00 H1' 39 H1' 38 4.770 7.750 10.00 10.00 H1' 5 1H2' 4 3.290 4.040 10.00 10.00 H1' 40 1H2' 39 3.290 4.040 10.00 10.00 H1' 5 H1' 4 4.200 7.110 10.00 10.00 H1' 40 H1' 39 4.200 7.110 10.00 10.00 H1' 6 H1' 5 4.600 7.610 10.00 10.00 H1' 41 H1' 40 4.600 7.610 10.00 10.00 H5 6 H8 5 4.020 7.460 10.00 10.00 H5 41 H8 40 4.020 7.460 10.00 10.00 H5 6 1H2' 6 3.630 7.720 10.00 10.00 H5 41 1H2' 41 3.630 7.720 10.00 10.00 H1' 8 H1' 7 3.680 5.380 10.00 10.00 H1' 43 H1' 42 3.680 5.380 10.00 10.00 H5 8 H1' 7 3.660 6.880 10.00 10.00 H5 43 H1' 42 3.660 6.880 10.00 10.00 H6 10 H8 9 3.630 6.160 10.00 10.00 H6 45 H8 44 3.630 6.160 10.00 10.00 H5 11 H1' 11 3.480 5.450 10.00 10.00 H5 46 H1' 46 3.480 5.450 10.00 10.00 H6 11 H5 10 3.290 6.120 10.00 10.00 H6 46 H5 45 3.290 6.120 10.00 10.00 H6 11 H6 10 3.230 4.710 10.00 10.00 H6 46 H6 45 3.230 4.710 10.00 10.00 H8 12 H6 11 3.800 6.920 10.00 10.00 H8 47 H6 46 3.800 6.920 10.00 10.00 H1' 13 1H2' 12 3.700 7.490 10.00 10.00 H1' 48 1H2' 47 3.700 7.490 10.00 10.00 H1' 13 H8 12 4.350 7.590 10.00 10.00 H1' 48 H8 47 4.350 7.590 10.00 10.00 H8 13 H2 13 5.350 7.760 10.00 10.00 H8 48 H2 48 5.350 7.760 10.00 10.00 H1' 14 H8 13 4.370 7.850 10.00 10.00 H1' 49 H8 48 4.370 7.850 10.00 10.00 H8 14 H2 13 5.430 7.550 10.00 10.00 H8 49 H2 48 5.430 7.550 10.00 10.00 H8 14 H8 13 3.690 5.530 10.00 10.00 H8 49 H8 48 3.690 5.530 10.00 10.00 H8 14 H2 14 4.960 7.440 10.00 10.00 H8 49 H2 49 4.960 7.440 10.00 10.00 H1' 15 H1' 14 4.430 7.020 10.00 10.00 H1' 50 H1' 49 4.430 7.020 10.00 10.00 H8 15 H1' 13 4.720 7.540 10.00 10.00 H8 50 H1' 48 4.720 7.540 10.00 10.00 H8 15 H2 13 4.940 7.050 10.00 10.00 H8 50 H2 48 4.940 7.050 10.00 10.00 H6 18 H8 17 3.610 7.090 10.00 10.00 H6 53 H8 52 3.610 7.090 10.00 10.00 H8 21 H6 20 3.630 7.220 10.00 10.00 H8 56 H6 55 3.630 7.220 10.00 10.00 H8 21 H2 21 5.720 7.880 10.00 10.00 H8 56 H2 56 5.720 7.880 10.00 10.00 H6 22 H8 21 3.780 6.320 10.00 10.00 H6 57 H8 56 3.780 6.320 10.00 10.00 H1' 25 H1' 24 4.050 6.830 10.00 10.00 H1' 60 H1' 59 4.050 6.830 10.00 10.00 H8 26 H5 25 3.850 7.390 10.00 10.00 H8 61 H5 60 3.850 7.390 10.00 10.00 H8 26 H2 26 4.840 7.350 10.00 10.00 H8 61 H2 61 4.840 7.350 10.00 10.00 1H2' 28 H2 27 4.460 7.500 10.00 10.00 1H2' 63 H2 62 4.460 7.500 10.00 10.00 H8 30 H2 29 4.760 7.520 10.00 10.00 H8 65 H2 64 4.760 7.520 10.00 10.00 H1' 31 H1' 30 4.110 6.710 10.00 10.00 H1' 66 H1' 65 4.110 6.710 10.00 10.00 H8 31 H1' 30 4.170 7.500 10.00 10.00 H8 66 H1' 65 4.170 7.500 10.00 10.00 H6 32 H8 31 4.480 7.580 10.00 10.00 H6 67 H8 66 4.480 7.580 10.00 10.00 H1' 34 H1' 33 4.420 6.970 10.00 10.00 H1' 69 H1' 68 4.420 6.970 10.00 10.00 H5 34 H1' 33 3.970 7.770 10.00 10.00 H5 69 H1' 68 3.970 7.770 10.00 10.00 H5 34 H8 33 3.710 7.490 10.00 10.00 H5 69 H8 68 3.710 7.490 10.00 10.00 H5 34 H1' 34 4.590 7.420 10.00 10.00 H5 69 H1' 69 4.590 7.420 10.00 10.00 H1' 35 H1' 34 4.340 7.510 10.00 10.00 H1' 70 H1' 69 4.340 7.510 10.00 10.00 H6 35 H5 34 3.440 6.030 10.00 10.00 H6 70 H5 69 3.440 6.030 10.00 10.00 H6 41 H2 29 4.400 7.280 10.00 10.00 H6 6 H2 64 4.400 7.280 10.00 10.00 H1' 43 H1' 27 4.400 7.030 10.00 10.00 H1' 8 H1' 62 4.400 7.030 10.00 10.00 H1' 43 H1' 28 4.570 6.690 10.00 10.00 H1' 8 H1' 63 4.570 6.690 10.00 10.00 H6 43 H2 26 4.640 7.540 10.00 10.00 H6 8 H2 61 4.640 7.540 10.00 10.00 H1' 44 H2 27 5.180 7.640 10.00 10.00 H1' 9 H2 62 5.180 7.640 10.00 10.00 H5 45 H2 26 4.800 7.480 10.00 10.00 H5 10 H2 61 4.800 7.480 10.00 10.00 H1' 48 H2 21 5.020 7.340 10.00 10.00 H1' 13 H2 56 5.020 7.340 10.00 10.00 H1' 49 H2 21 4.850 7.550 10.00 10.00 H1' 14 H2 56 4.850 7.550 10.00 10.00 H2 49 H1' 21 5.180 7.360 10.00 10.00 H2 14 H1' 56 5.180 7.360 10.00 10.00 H1' 50 H1' 22 4.720 7.290 10.00 10.00 H1' 15 H1' 57 4.720 7.290 10.00 10.00 H2 62 H8 9 5.400 7.630 10.00 10.00 H2 27 H8 44 5.400 7.630 10.00 10.00
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