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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11261 |
1r7w   |
6076 | cing | 1-original | 1 | MARDIGRAS/CORMA | distance | NOE | simple |
# October 20, 2003 # # Z. Du, N.B. Ulyanov, J. Yu, T.L. James # # Experimental NMR data for the RNA 34mer # r(GGAGGACAUCCCUCACGGGUGACCGUGGUCCUCC) # # Content of this file: # # (1) Distance restraints for nonexchangeable protons # (2) Distance restraints for exchangeable protons # (3) "Non-NOE" distance restraints # (4) Integrated intensities of cross-peaks in the 200-ms # 600 MHz D2O NOESY acquired at 25 oC # (5) Sugar pucker restraints # (6) Residual dipolar couplings # (7) Table of chemical shifts # # Format is a modified MARDIGRAS format: first four columns contain # atom names and residue numbers; columns 5 and 6 contain lower and # upper distance bounds; columns 7 and 8 contain lower and upper # force constants # # (1) quantitative restraints involving nonexchangeable protons # # (1a) quantitative distance restraints from the 2D D2O NOESY dataset # # Distance restraints involving nonexchangeable protons were calculated with the # MARDIGRAS program using integrated intensities in the 2D D2O NOESY dataset. The # RANDMARDI procedure was run 50 times assuming isotropic effective correlation # times of 15 ns. For each proton pair, all distance # estimates were pooled together, and 10% of the lowest and 10% of the highest estimates # were discarded. Min-max of the remaining estimates were accepted as the lower # and upper bounds. # Fixed distances and intra-sugar distances with low variation (such as H1'-H2') # were excluded from the list of restraints. # # All distances are in angstrom. # # Cleaned from may_03.restraints Mon Aug 18 14:49:19 2003 #Restraints obtained from mardigras inp= aug27_02_3.mardi * filter= filter *** Tue Aug 27 2002 ATOM- i ATOM- j r_low r_up k_low k_up H4' 1 H1' 1 4.010 5.680 10.00 10.00 H8 1 1H2' 1 3.190 6.610 10.00 10.00 H8 1 H1' 1 3.620 4.380 10.00 10.00 H1' 2 1H2' 1 4.850 5.990 10.00 10.00 H8 2 1H2' 1 3.770 5.940 10.00 10.00 H8 2 H1' 1 3.810 4.720 10.00 10.00 H8 2 H8 1 3.640 6.300 10.00 10.00 H8 2 H1' 2 4.140 5.950 10.00 10.00 H2 3 H1' 3 4.460 5.780 10.00 10.00 H8 3 H1' 3 3.700 6.140 10.00 10.00 H1' 4 H2 3 3.090 3.430 10.00 10.00 H4' 4 H1' 4 3.270 3.750 10.00 10.00 H8 4 H2 3 4.450 5.830 10.00 10.00 H8 4 H8 3 3.840 6.150 10.00 10.00 H8 4 1H5' 4 2.940 6.250 10.00 10.00 H8 4 2H5' 4 2.880 4.600 10.00 10.00 H8 4 1H2' 4 3.080 4.740 10.00 10.00 H8 4 H1' 4 3.380 4.150 10.00 10.00 H8 4 H3' 4 2.950 3.610 10.00 10.00 H8 4 H4' 4 3.710 6.020 10.00 10.00 H8 5 H1' 4 4.290 6.830 10.00 10.00 H8 5 H3' 4 3.840 6.250 10.00 10.00 H8 5 H8 4 4.190 6.270 10.00 10.00 H8 5 1H5' 5 2.910 5.700 10.00 10.00 H8 5 H1' 5 3.320 4.030 10.00 10.00 H1' 6 1H2' 5 3.820 5.440 10.00 10.00 H4' 6 H1' 6 3.290 3.820 10.00 10.00 H8 6 H1' 5 3.010 4.850 10.00 10.00 H8 6 H8 5 3.060 6.760 10.00 10.00 H8 6 1H2' 6 2.850 3.680 10.00 10.00 H1' 7 1H2' 6 2.930 3.950 10.00 10.00 H1' 7 H1' 6 4.320 5.950 10.00 10.00 H1' 7 H2 6 2.880 3.270 10.00 10.00 H1' 7 1H5' 7 2.800 5.680 10.00 10.00 H4' 7 H1' 7 2.920 3.520 10.00 10.00 H5 7 H8 6 3.830 6.050 10.00 10.00 H5 7 1H2' 7 3.940 6.540 10.00 10.00 H5 7 H1' 7 3.110 6.660 10.00 10.00 H5 7 H3' 7 2.660 5.440 10.00 10.00 H6 7 H1' 6 4.080 6.590 10.00 10.00 H6 7 1H5' 7 3.460 6.240 10.00 10.00 H6 7 2H5' 7 2.870 3.780 10.00 10.00 H6 7 1H2' 7 2.760 5.390 10.00 10.00 H6 7 H1' 7 3.310 6.190 10.00 10.00 H6 7 H3' 7 2.510 4.070 10.00 10.00 H6 7 H4' 7 3.220 6.260 10.00 10.00 H1' 8 1H2' 7 3.610 5.820 10.00 10.00 H1' 8 H1' 7 3.670 5.400 10.00 10.00 H1' 8 1H5' 8 3.090 5.530 10.00 10.00 H4' 8 H1' 7 3.110 5.540 10.00 10.00 H2 8 1H2' 8 3.640 6.030 10.00 10.00 H2 8 H1' 8 3.890 5.570 10.00 10.00 H8 8 1H2' 7 2.310 3.770 10.00 10.00 H8 8 H1' 7 2.580 6.130 10.00 10.00 H8 8 H3' 7 2.500 2.930 10.00 10.00 H8 8 H5 7 3.370 6.010 10.00 10.00 H8 8 H6 7 2.780 6.300 10.00 10.00 H8 8 1H5' 8 2.900 4.850 10.00 10.00 H8 8 1H2' 8 3.140 5.780 10.00 10.00 H8 8 H1' 8 2.850 3.310 10.00 10.00 1H5' 9 H1' 8 3.140 5.840 10.00 10.00 1H2' 9 H2 8 2.720 4.240 10.00 10.00 H1' 9 1H2' 8 3.080 5.660 10.00 10.00 H1' 9 H1' 8 3.440 5.190 10.00 10.00 H1' 9 H2 8 2.860 3.750 10.00 10.00 H1' 9 1H5' 9 3.320 5.520 10.00 10.00 H1' 9 2H5' 9 2.870 5.660 10.00 10.00 H4' 9 H1' 9 3.070 4.380 10.00 10.00 H5 9 1H2' 8 3.160 5.780 10.00 10.00 H5 9 H1' 8 3.590 5.030 10.00 10.00 H5 9 H3' 8 2.740 3.890 10.00 10.00 H5 9 H4' 8 3.180 4.110 10.00 10.00 H5 9 H2 8 3.620 6.780 10.00 10.00 H5 9 H8 8 3.820 5.700 10.00 10.00 H5 9 2H5' 9 3.160 6.760 10.00 10.00 H5 9 1H2' 9 2.590 2.810 10.00 10.00 H5 9 H1' 9 3.590 6.210 10.00 10.00 H6 9 H1' 8 3.560 5.820 10.00 10.00 H6 9 H3' 8 3.230 5.390 10.00 10.00 H6 9 H8 8 3.510 4.250 10.00 10.00 H6 9 1H5' 9 2.910 4.600 10.00 10.00 H6 9 1H2' 9 3.230 4.490 10.00 10.00 H6 9 H1' 9 2.790 3.130 10.00 10.00 H1' 10 H2 8 3.310 6.340 10.00 10.00 H1' 10 1H2' 9 4.350 5.900 10.00 10.00 H1' 10 1H5' 10 3.700 4.360 10.00 10.00 H1' 10 2H5' 10 3.330 4.020 10.00 10.00 H4' 10 H1' 10 3.060 4.960 10.00 10.00 H5 10 H2 8 4.040 5.880 10.00 10.00 H5 10 1H2' 9 3.430 5.690 10.00 10.00 H5 10 H1' 9 4.130 6.470 10.00 10.00 H5 10 H5 9 3.380 4.900 10.00 10.00 H5 10 H6 9 3.920 5.640 10.00 10.00 H6 10 1H2' 9 2.840 5.780 10.00 10.00 H6 10 H1' 9 2.530 2.860 10.00 10.00 H6 10 H5 9 3.700 6.870 10.00 10.00 H6 10 H6 9 3.060 3.930 10.00 10.00 H6 10 1H5' 10 2.460 3.280 10.00 10.00 H1' 11 1H5' 11 3.210 3.870 10.00 10.00 H5 11 1H5' 10 3.920 6.760 10.00 10.00 H5 11 1H2' 10 3.270 6.780 10.00 10.00 H6 11 H2 8 3.520 6.840 10.00 10.00 H6 11 H3' 11 3.210 6.460 10.00 10.00 H1' 12 1H2' 11 4.250 5.160 10.00 10.00 H1' 12 1H5' 12 3.130 4.300 10.00 10.00 H6 12 H3' 11 2.740 3.700 10.00 10.00 H6 12 H3' 12 2.720 3.420 10.00 10.00 H4' 13 H1' 12 3.730 4.760 10.00 10.00 H4' 13 H1' 13 2.200 2.990 10.00 10.00 H6 13 H1' 12 3.550 4.860 10.00 10.00 H6 13 H6 12 3.160 4.030 10.00 10.00 H6 13 H4' 13 2.640 4.990 10.00 10.00 H1' 14 H5 9 4.180 6.410 10.00 10.00 H1' 14 1H5' 12 2.980 4.120 10.00 10.00 H1' 14 H6 12 3.720 4.580 10.00 10.00 H5 14 H1' 12 3.940 5.460 10.00 10.00 H5 14 H4' 12 4.790 6.920 10.00 10.00 H5 14 1H5' 13 3.130 6.010 10.00 10.00 H5 14 1H2' 13 2.360 2.590 10.00 10.00 H5 14 H1' 13 3.880 6.760 10.00 10.00 H5 14 H3' 13 2.720 6.230 10.00 10.00 H5 14 H4' 13 3.440 6.610 10.00 10.00 H5 14 H5 13 3.180 5.810 10.00 10.00 H5 14 H6 13 3.890 6.070 10.00 10.00 H5 14 H1' 14 3.240 4.110 10.00 10.00 H6 14 H1' 12 4.790 6.850 10.00 10.00 H6 14 1H2' 13 2.880 3.840 10.00 10.00 H6 14 H1' 13 3.770 5.060 10.00 10.00 H6 14 H3' 13 2.790 3.250 10.00 10.00 H6 14 H4' 13 3.490 6.060 10.00 10.00 H6 14 H6 13 3.140 5.730 10.00 10.00 H6 14 1H2' 14 3.680 6.800 10.00 10.00 H6 14 H1' 14 3.310 4.480 10.00 10.00 H1' 15 1H2' 14 3.760 5.400 10.00 10.00 H1' 15 H1' 14 4.040 5.570 10.00 10.00 H8 15 1H2' 14 2.530 5.740 10.00 10.00 H8 15 H1' 14 2.700 5.340 10.00 10.00 H8 15 H6 14 4.130 6.400 10.00 10.00 H8 15 1H2' 15 3.720 6.700 10.00 10.00 H8 15 H1' 15 3.420 4.230 10.00 10.00 H1' 16 H1' 15 4.840 5.950 10.00 10.00 H5 16 1H2' 15 2.720 5.660 10.00 10.00 H5 16 H1' 15 4.220 6.800 10.00 10.00 H5 16 H8 15 3.320 6.260 10.00 10.00 H5 16 H1' 16 5.260 6.640 10.00 10.00 H6 16 1H2' 15 2.220 3.900 10.00 10.00 H6 16 1H2' 16 2.790 4.280 10.00 10.00 H6 16 H4' 16 2.900 4.570 10.00 10.00 1H5' 17 H1' 16 4.550 5.780 10.00 10.00 H1' 17 H1' 16 5.140 5.970 10.00 10.00 H8 17 H1' 16 4.080 6.580 10.00 10.00 H8 17 H5 16 3.920 6.580 10.00 10.00 H8 17 H6 16 3.620 6.640 10.00 10.00 H8 17 1H5' 17 3.620 6.040 10.00 10.00 H8 17 2H5' 17 3.350 5.460 10.00 10.00 H8 17 1H2' 17 3.620 6.010 10.00 10.00 H8 17 H1' 17 3.720 4.340 10.00 10.00 H8 17 H3' 17 2.930 4.440 10.00 10.00 H8 18 1H5' 17 4.040 6.780 10.00 10.00 H8 18 1H2' 17 2.430 2.980 10.00 10.00 H8 18 H1' 17 4.000 5.670 10.00 10.00 H8 18 H8 17 4.060 5.570 10.00 10.00 H8 18 1H2' 18 2.820 3.410 10.00 10.00 H8 18 H1' 18 4.110 5.310 10.00 10.00 H8 19 1H2' 18 2.640 3.470 10.00 10.00 H8 19 H1' 18 4.190 6.180 10.00 10.00 H8 19 H8 18 4.180 6.260 10.00 10.00 H8 19 1H2' 19 3.700 6.270 10.00 10.00 H8 19 H1' 19 3.770 5.340 10.00 10.00 H8 19 H3' 19 2.820 3.250 10.00 10.00 H8 19 H4' 19 5.120 5.430 10.00 10.00 H1' 20 1H5' 20 2.840 5.720 10.00 10.00 H4' 20 1H5' 20 2.500 2.830 10.00 10.00 H6 20 1H5' 20 3.720 4.140 10.00 10.00 H1' 21 1H2' 20 3.250 4.310 10.00 10.00 H1' 21 2H5' 21 4.020 5.620 10.00 10.00 H4' 21 H1' 20 2.790 4.750 10.00 10.00 H4' 21 H1' 21 2.670 3.120 10.00 10.00 H8 21 H1' 19 3.560 5.470 10.00 10.00 H8 21 1H5' 20 3.010 6.140 10.00 10.00 H8 21 H1' 20 3.250 5.770 10.00 10.00 H8 21 H3' 20 2.240 2.630 10.00 10.00 H8 21 H1' 21 3.120 3.570 10.00 10.00 H8 21 H3' 21 3.120 3.830 10.00 10.00 H1' 22 1H2' 21 3.490 4.220 10.00 10.00 H1' 22 H1' 21 5.040 5.660 10.00 10.00 H4' 22 H1' 22 2.960 3.350 10.00 10.00 H2 22 H1' 21 4.560 5.190 10.00 10.00 H2 22 H1' 22 4.120 4.720 10.00 10.00 H8 22 1H2' 21 2.510 3.030 10.00 10.00 H8 22 H1' 21 2.760 4.770 10.00 10.00 H8 22 H3' 21 3.530 6.150 10.00 10.00 H8 22 H8 21 3.600 6.640 10.00 10.00 H8 22 1H5' 22 4.130 6.220 10.00 10.00 H8 22 1H2' 22 3.390 5.850 10.00 10.00 H8 22 H1' 22 3.000 3.340 10.00 10.00 H8 22 H3' 22 2.810 3.300 10.00 10.00 H8 22 H4' 22 4.920 5.360 10.00 10.00 H1' 23 H1' 22 4.470 5.960 10.00 10.00 H1' 23 H2 22 4.720 5.470 10.00 10.00 H1' 23 H8 22 3.310 3.660 10.00 10.00 H4' 23 H1' 22 3.600 4.280 10.00 10.00 H4' 23 H2 22 4.670 6.850 10.00 10.00 H5 23 H3' 22 3.670 6.730 10.00 10.00 H5 23 H8 22 4.010 5.700 10.00 10.00 H5 23 1H2' 23 2.830 5.900 10.00 10.00 H5 23 H1' 23 4.730 6.980 10.00 10.00 H5 23 H3' 23 3.160 5.440 10.00 10.00 H6 23 H1' 22 3.560 6.660 10.00 10.00 H6 23 H3' 22 2.970 4.100 10.00 10.00 H6 23 H8 22 3.580 4.480 10.00 10.00 H6 23 1H2' 23 3.270 5.230 10.00 10.00 H6 23 H1' 23 3.390 4.290 10.00 10.00 H1' 24 H1' 23 4.830 5.910 10.00 10.00 H5 24 1H2' 23 2.770 4.600 10.00 10.00 H5 24 H1' 23 4.900 4.980 10.00 10.00 H5 24 H5 23 3.050 4.420 10.00 10.00 H6 24 H1' 24 3.280 3.730 10.00 10.00 H1' 25 1H2' 24 3.830 5.030 10.00 10.00 H8 25 1H2' 24 3.250 4.850 10.00 10.00 H8 25 H6 24 3.760 5.100 10.00 10.00 H8 25 1H2' 25 2.920 4.320 10.00 10.00 H8 25 H1' 25 3.530 4.550 10.00 10.00 H5 26 1H2' 25 3.490 4.970 10.00 10.00 H5 26 H1' 25 3.910 6.420 10.00 10.00 H5 26 H8 25 4.330 6.270 10.00 10.00 H5 26 H1' 26 4.650 6.660 10.00 10.00 H6 26 1H2' 25 2.630 3.580 10.00 10.00 H6 26 H1' 25 3.340 5.670 10.00 10.00 H6 26 H1' 26 3.250 5.610 10.00 10.00 H1' 27 H2 15 3.550 3.870 10.00 10.00 H1' 27 1H2' 26 4.390 5.610 10.00 10.00 H1' 27 H1' 26 3.940 5.500 10.00 10.00 H4' 27 H1' 27 3.520 4.180 10.00 10.00 H8 27 H1' 26 5.320 6.740 10.00 10.00 H8 27 H5 26 4.750 6.500 10.00 10.00 H8 27 H1' 27 3.180 5.930 10.00 10.00 H1' 28 H2 8 2.870 3.960 10.00 10.00 H4' 28 H1' 28 3.940 5.100 10.00 10.00 H8 28 H2 8 3.200 4.470 10.00 10.00 H8 28 1H2' 27 3.880 5.150 10.00 10.00 H8 28 1H5' 28 2.640 3.190 10.00 10.00 H8 28 H1' 28 3.680 5.370 10.00 10.00 H8 28 H3' 28 4.850 6.090 10.00 10.00 H8 28 H4' 28 4.530 6.200 10.00 10.00 H5 29 H1' 28 4.330 6.870 10.00 10.00 H5 29 H8 28 4.060 6.820 10.00 10.00 H6 29 H1' 28 4.070 6.410 10.00 10.00 H1' 30 1H2' 29 4.330 5.880 10.00 10.00 H4' 30 H1' 30 3.460 3.920 10.00 10.00 H5 30 1H2' 29 3.190 4.740 10.00 10.00 H5 30 H5 29 4.040 4.780 10.00 10.00 H6 30 1H2' 30 2.780 6.520 10.00 10.00 H6 30 H1' 30 3.270 4.050 10.00 10.00 H5 31 H6 30 2.700 5.990 10.00 10.00 H6 31 H1' 31 3.170 4.780 10.00 10.00 H1' 32 H2 3 4.680 5.610 10.00 10.00 H5 32 H6 31 2.670 5.830 10.00 10.00 H5 32 H3' 32 3.680 6.380 10.00 10.00 H6 32 1H2' 31 2.300 3.960 10.00 10.00 H6 32 H1' 31 2.780 6.010 10.00 10.00 H6 32 H1' 32 3.430 3.890 10.00 10.00 H6 32 H3' 32 3.080 3.800 10.00 10.00 1H5' 33 H1' 32 3.900 5.410 10.00 10.00 H1' 33 H2 3 2.990 3.360 10.00 10.00 H6 33 H1' 32 3.800 6.550 10.00 10.00 H6 33 H3' 32 3.290 6.580 10.00 10.00 H6 33 H1' 33 3.180 3.800 10.00 10.00 H1' 34 1H2' 33 3.800 5.800 10.00 10.00 H1' 34 1H5' 34 3.110 4.730 10.00 10.00 H5 34 1H2' 33 2.700 5.610 10.00 10.00 H5 34 H3' 33 4.450 6.170 10.00 10.00 H5 34 H5 33 3.500 4.210 10.00 10.00 H5 34 H6 33 3.910 5.530 10.00 10.00 H5 34 1H2' 34 3.680 6.570 10.00 10.00 H6 34 1H2' 33 2.430 3.350 10.00 10.00 H6 34 H1' 33 3.130 4.980 10.00 10.00 H6 34 H3' 33 2.970 4.800 10.00 10.00 H6 34 H6 33 3.570 6.870 10.00 10.00 H6 34 1H2' 34 2.950 4.150 10.00 10.00 H6 34 H1' 34 3.350 3.960 10.00 10.00
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