NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
1900 1b4y 4400 cing 1-original 6 XPLOR/CNS distance NOE simple



assign (resid 2 and name H6 and segid S1)
        (resid 3 and name H6 and segid S1)
        5.000 0.000 50.000                              {BB}

assign (resid 3 and name H5# and segid S1)
        (resid 2 and name H5 and segid S1)
        4.290 1.290 1.290                               {BB}

assign (resid 4 and name H5# and segid S1)
        (resid 5 and name H5 and segid S1)
        4.320 1.300 1.300                               {BB}

assign (resid 5 and name H5 and segid S1)
        (resid 4 and name H6 and segid S1)
        4.500 0.000 50.000                              {BB}

assign (resid 5 and name H6 and segid S1)
        (resid 6 and name H6 and segid S1)
        4.500 0.000 50.000                              {BB}

assign (resid 6 and name H5# and segid S1)
        (resid 5 and name H6 and segid S1)
        3.250 0.970 0.970                               {BB}

assign (resid 6 and name H5# and segid S1)
        (resid 5 and name H5 and segid S1)
        3.490 1.050 1.050                               {BB}

assign (resid 6 and name H5# and segid S1)
        (resid 7 and name H5 and segid L1)
        4.510 1.350 1.350                               {BB}

assign (resid 7 and name H5 and segid L1)
        (resid 6 and name H6 and segid S1)
        3.640 1.090 1.090                               {BB}

assign (resid 10 and name H8 and segid L1)
        (resid 11 and name H8 and segid S2)
        6.320 1.900 1.900                               {BB}

assign (resid 12 and name H8 and segid S2)
        (resid 11 and name H8 and segid S2)
        4.500 1.350 1.350                               {BB}

assign (resid 14 and name H2 and segid S2)
        (resid 13 and name H2 and segid S2)
        3.540 1.060 1.060                               {BB}

assign (resid 14 and name H8 and segid S2)
        (resid 13 and name H8 and segid S2)
        4.350 1.300 1.300                               {BB}

assign (resid 15 and name H8 and segid S2)
        (resid 14 and name H8 and segid S2)
        3.760 1.130 1.130                               {BB}

assign (resid 17 and name H5# and segid S3)
        (resid 18 and name H5 and segid S3)
        4.960 1.490 1.490                               {BB}

assign (resid 17 and name H6 and segid S3)
        (resid 18 and name H6 and segid S3)
        4.500 0.000 50.000                              {BB}

assign (resid 18 and name H5 and segid S3)
        (resid 17 and name H6 and segid S3)
        4.880 1.460 1.460                               {BB}

assign (resid 19 and name H5# and segid S3)
        (resid 18 and name H6 and segid S3)
        3.610 1.080 1.080                               {BB}

assign (resid 19 and name H5# and segid S3)
        (resid 18 and name H5 and segid S3)
        3.770 1.130 1.130                               {BB}

assign (resid 19 and name H6 and segid S3)
        (resid 18 and name H6 and segid S3)
        4.930 1.480 1.480                               {BB}

assign (resid 20 and name H5# and segid S3)
        (resid 19 and name H6 and segid S3)
        3.500 1.050 1.050                               {BB}

assign (resid 20 and name H6 and segid S3)
        (resid 19 and name H6 and segid S3)
        4.330 1.300 1.300                               {BB}

assign (resid 21 and name H6 and segid S3)
        (resid 20 and name H6 and segid S3)
        4.050 1.220 1.220                               {BB}

assign (resid 21 and name H5 and segid S3)
        (resid 20 and name H5# and segid S3)
        4.210 1.260 1.260                               {BB}

assign (resid 2 and name H1' and segid S1)
        (resid 2 and name H6 and segid S1)
        4.390 1.320 1.320                               {CH}

assign (resid 2 and name H1' and segid S1)
        (resid 2 and name H5 and segid S1)
        7.060 2.120 2.120                               {CH}

assign (resid 5 and name H1' and segid S1)
        (resid 5 and name H6 and segid S1)
        3.330 1.000 1.000                               {CH}

assign (resid 5 and name H1' and segid S1)
        (resid 5 and name H5 and segid S1)
        4.680 1.400 1.400                               {CH}

assign (resid 6 and name H6 and segid S1)
        (resid 6 and name H1' and segid S1)
        3.200 0.960 0.960                               {CH}

assign (resid 6 and name H5# and segid S1)
        (resid 6 and name H1' and segid S1)
        6.440 1.930 1.930                               {CH}

assign (resid 11 and name H1' and segid S2)
        (resid 11 and name H8 and segid S2)
        3.660 1.100 1.100                               {CH}

assign (resid 13 and name H1' and segid S2)
        (resid 13 and name H8 and segid S2)
        3.280 0.980 0.980                               {CH}

assign (resid 17 and name H1' and segid S3)
        (resid 17 and name H6 and segid S3)
        3.190 0.960 0.960                               {CH}

assign (resid 17 and name H1' and segid S3)
        (resid 17 and name H5# and segid S3)
        5.720 1.720 1.720                               {CH}

assign (resid 18 and name H1' and segid S3)
        (resid 18 and name H6 and segid S3)
        3.270 0.980 0.980                               {CH}

assign (resid 18 and name H5 and segid S3)
        (resid 18 and name H1' and segid S3)
        5.190 1.560 1.560                               {CH}

assign (resid 19 and name H1' and segid S3)
        (resid 19 and name H6 and segid S3)
        3.310 0.990 0.990                               {CH}

assign (resid 21 and name H1' and segid S3)
        (resid 21 and name H6 and segid S3)
        4.040 1.210 1.210                               {CH}

assign (resid 21 and name H1' and segid S3)
        (resid 21 and name H5 and segid S3)
        4.170 1.250 1.250                               {CH}

assign (resid 2 and name H2' and segid S1)
        (resid 2 and name H6 and segid S1)
        2.860 0.860 0.860                               {CHP}

assign (resid 2 and name H2'' and segid S1)
        (resid 2 and name H6 and segid S1)
        3.160 0.950 0.950                               {CHP}

assign (resid 2 and name H3' and segid S1)
        (resid 2 and name H6 and segid S1)
        4.200 1.260 1.260                               {CHP}

assign (resid 2 and name H5 and segid S1)
        (resid 2 and name H2' and segid S1)
        4.850 1.450 1.450                               {CHP}

assign (resid 2 and name H2'' and segid S1)
        (resid 2 and name H5 and segid S1)
        5.400 1.620 1.620                               {CHP}

assign (resid 2 and name H5 and segid S1)
        (resid 2 and name H3' and segid S1)
        6.310 1.890 1.890                               {CHP}

assign (resid 2 and name H4' and segid S1)
        (resid 2 and name H5 and segid S1)
        6.000 0.000 50.000                              {CHP}

assign (resid 3 and name H5# and segid S1)
        (resid 3 and name H2' and segid S1)
        4.950 1.490 1.490                               {CHP}

assign (resid 3 and name H5# and segid S1)
        (resid 3 and name H3' and segid S1)
        5.980 1.790 1.790                               {CHP}

assign (resid 4 and name H2' and segid S1)
        (resid 4 and name H6 and segid S1)
        1.950 0.450 0.590                               {CHP}

assign (resid 4 and name H2'' and segid S1)
        (resid 4 and name H6 and segid S1)
        2.800 0.840 0.840                               {CHP}

assign (resid 4 and name H5# and segid S1)
        (resid 4 and name H3' and segid S1)
        6.150 1.840 1.840                               {CHP}

assign (resid 4 and name H5# and segid S1)
        (resid 4 and name H2'' and segid S1)
        6.740 2.020 2.020                               {CHP}

assign (resid 5 and name H3' and segid S1)
        (resid 5 and name H6 and segid S1)
        2.690 0.810 0.810                               {CHP}

assign (resid 5 and name H2' and segid S1)
        (resid 5 and name H6 and segid S1)
        2.870 0.860 0.860                               {CHP}

assign (resid 5 and name H2'' and segid S1)
        (resid 5 and name H6 and segid S1)
        3.310 0.990 0.990                               {CHP}

assign (resid 5 and name H3' and segid S1)
        (resid 5 and name H5 and segid S1)
        4.490 1.350 1.350                               {CHP}

assign (resid 5 and name H5 and segid S1)
        (resid 5 and name H2'' and segid S1)
        4.710 1.410 1.410                               {CHP}

assign (resid 5 and name H5 and segid S1)
        (resid 5 and name H2' and segid S1)
        4.720 1.420 1.420                               {CHP}

assign (resid 6 and name H2' and segid S1)
        (resid 6 and name H6 and segid S1)
        1.900 0.400 0.570                               {CHP}

assign (resid 6 and name H5# and segid S1)
        (resid 6 and name H2' and segid S1)
        4.770 1.430 1.430                               {CHP}

assign (resid 6 and name H5# and segid S1)
        (resid 6 and name H4' and segid S1)
        6.830 2.050 2.050                               {CHP}

assign (resid 6 and name H5# and segid S1)
        (resid 6 and name H3' and segid S1)
        6.000 0.000 50.000                              {CHP}

assign (resid 11 and name H2' and segid S2)
        (resid 11 and name H8 and segid S2)
        2.410 0.720 0.720                               {CHP}

assign (resid 11 and name H3' and segid S2)
        (resid 11 and name H8 and segid S2)
        3.500 1.050 1.050                               {CHP}

assign (resid 11 and name H4' and segid S2)
        (resid 11 and name H8 and segid S2)
        5.020 1.510 1.510                               {CHP}

assign (resid 12 and name H4' and segid S2)
        (resid 12 and name H8 and segid S2)
        4.230 1.270 1.270                               {CHP}

assign (resid 13 and name H2' and segid S2)
        (resid 13 and name H8 and segid S2)
        2.730 0.820 0.820                               {CHP}

assign (resid 13 and name H8 and segid S2)
        (resid 13 and name H2'' and segid S2)
        3.280 0.980 0.980                               {CHP}

assign (resid 13 and name H3' and segid S2)
        (resid 13 and name H8 and segid S2)
        4.030 1.210 1.210                               {CHP}

assign (resid 13 and name H8 and segid S2)
        (resid 13 and name H4' and segid S2)
        4.110 1.230 1.230                               {CHP}

assign (resid 14 and name H8 and segid S2)
        (resid 14 and name H2'' and segid S2)
        3.330 1.000 1.000                               {CHP}

assign (resid 15 and name H8 and segid S2)
        (resid 15 and name H2' and segid S2)
        2.300 0.690 0.690                               {CHP}

assign (resid 15 and name H8 and segid S2)
        (resid 15 and name H4' and segid S2)
        4.600 1.380 1.380                               {CHP}

assign (resid 17 and name H2' and segid S3)
        (resid 17 and name H6 and segid S3)
        2.260 0.680 0.680                               {CHP}

assign (resid 17 and name H2'' and segid S3)
        (resid 17 and name H6 and segid S3)
        2.820 0.850 0.850                               {CHP}

assign (resid 17 and name H5# and segid S3)
        (resid 17 and name H2' and segid S3)
        5.710 1.710 1.710                               {CHP}

assign (resid 17 and name H4' and segid S3)
        (resid 17 and name H5# and segid S3)
        6.820 2.050 2.050                               {CHP}

assign (resid 17 and name H5# and segid S3)
        (resid 17 and name H2'' and segid S3)
        5.000 0.000 50.000                              {CHP}

assign (resid 18 and name H2' and segid S3)
        (resid 18 and name H6 and segid S3)
        2.720 0.820 0.820                               {CHP}

assign (resid 18 and name H2'' and segid S3)
        (resid 18 and name H6 and segid S3)
        3.490 1.050 1.050                               {CHP}

assign (resid 18 and name H6 and segid S3)
        (resid 18 and name H3' and segid S3)
        4.660 1.400 1.400                               {CHP}

assign (resid 18 and name H2'' and segid S3)
        (resid 18 and name H5 and segid S3)
        5.050 1.510 1.510                               {CHP}

assign (resid 19 and name H2' and segid S3)
        (resid 19 and name H6 and segid S3)
        2.360 0.710 0.710                               {CHP}

assign (resid 19 and name H2'' and segid S3)
        (resid 19 and name H6 and segid S3)
        3.160 0.950 0.950                               {CHP}

assign (resid 19 and name H5# and segid S3)
        (resid 19 and name H2' and segid S3)
        5.310 1.590 1.590                               {CHP}

assign (resid 19 and name H5# and segid S3)
        (resid 19 and name H2'' and segid S3)
        6.060 1.820 1.820                               {CHP}

assign (resid 19 and name H3' and segid S3)
        (resid 19 and name H5# and segid S3)
        6.500 1.950 1.950                               {CHP}

assign (resid 20 and name H6 and segid S3)
        (resid 20 and name H2' and segid S3)
        2.750 0.830 0.830                               {CHP}

assign (resid 20 and name H6 and segid S3)
        (resid 20 and name H2'' and segid S3)
        3.230 0.970 0.970                               {CHP}

assign (resid 21 and name H6 and segid S3)
        (resid 21 and name H3' and segid S3)
        3.730 1.120 1.120                               {CHP}

assign (resid 21 and name H6 and segid S3)
        (resid 21 and name H2' and segid S3)
        3.760 1.130 1.130                               {CHP}

assign (resid 21 and name H6 and segid S3)
        (resid 21 and name H2'' and segid S3)
        4.310 1.290 1.290                               {CHP}

assign (resid 21 and name H5 and segid S3)
        (resid 21 and name H2'' and segid S3)
        5.500 1.650 1.650                               {CHP}

assign (resid 4 and name H1' and segid S1)
        (resid 13 and name H2 and segid S2)
        5.080 1.520 1.520                               {CR}

assign (resid 11 and name H2 and segid S2)
        (resid 7 and name H1' and segid L1)
        4.370 1.310 1.310                               {CR}

assign (resid 11 and name H8 and segid S2)
        (resid 17 and name H4' and segid S3)
        5.660 1.700 1.700                               {CR}

assign (resid 11 and name H3' and segid S2)
        (resid 18 and name H1' and segid S3)
        5.180 1.550 1.550                               {CR}

assign (resid 11 and name H8 and segid S2)
        (resid 18 and name H2'' and segid S3)
        5.000 0.000 50.000                              {CR}

assign (resid 11 and name H2'' and segid S2)
        (resid 19 and name H1' and segid S3)
        5.400 1.620 1.620                               {CR}

assign (resid 12 and name H8 and segid S2)
        (resid 19 and name H2'' and segid S3)
        5.180 1.550 1.550                               {CR}

assign (resid 12 and name H4' and segid S2)
        (resid 19 and name H1' and segid S3)
        5.190 1.560 1.560                               {CR}

assign (resid 12 and name H2'' and segid S2)
        (resid 19 and name H1' and segid S3)
        5.480 1.640 1.640                               {CR}

assign (resid 13 and name H2 and segid S2)
        (resid 5 and name H1' and segid S1)
        3.210 0.960 0.960                               {CR}

assign (resid 13 and name H4' and segid S2)
        (resid 20 and name H1' and segid S3)
        4.610 1.380 1.380                               {CR}

assign (resid 13 and name H2'' and segid S2)
        (resid 20 and name H1' and segid S3)
        5.260 1.580 1.580                               {CR}

assign (resid 13 and name H8 and segid S2)
        (resid 20 and name H5# and segid S3)
        5.000 0.000 50.000                              {CR}

assign (resid 13 and name H2'' and segid S2)
        (resid 21 and name H1' and segid S3)
        5.430 1.630 1.630                               {CR}

assign (resid 14 and name H2'' and segid S2)
        (resid 21 and name H1' and segid S3)
        4.970 1.490 1.490                               {CR}

assign (resid 17 and name H1' and segid S3)
        (resid 11 and name H8 and segid S2)
        5.620 1.690 1.690                               {CR}

assign (resid 18 and name H1' and segid S3)
        (resid 11 and name H8 and segid S2)
        3.310 0.990 0.990                               {CR}

assign (resid 18 and name H1' and segid S3)
        (resid 11 and name H2' and segid S2)
        4.550 1.370 1.360                               {CR}

assign (resid 18 and name H1' and segid S3)
        (resid 11 and name H2'' and segid S2)
        4.640 1.390 1.390                               {CR}

assign (resid 18 and name H4' and segid S3)
        (resid 11 and name H8 and segid S2)
        6.270 1.880 1.880                               {CR}

assign (resid 18 and name H1' and segid S3)
        (resid 12 and name H8 and segid S2)
        5.160 1.550 1.550                               {CR}

assign (resid 19 and name H1' and segid S3)
        (resid 12 and name H8 and segid S2)
        3.450 1.040 1.040                               {CR}

assign (resid 20 and name H1' and segid S3)
        (resid 12 and name H2'' and segid S2)
        4.370 1.310 1.310                               {CR}

assign (resid 20 and name H1' and segid S3)
        (resid 13 and name H8 and segid S2)
        3.260 0.980 0.980                               {CR}

assign (resid 22 and name H1' and segid S3)
        (resid 15 and name H8 and segid S2)
        5.280 1.580 1.580                               {CR}

assign (resid 2 and name H5'' and segid S1)
        (resid 2 and name H3' and segid S1)
        2.330 0.700 0.700                               {GAMM}

assign (resid 2 and name H3' and segid S1)
        (resid 2 and name H5' and segid S1)
        2.900 0.870 0.870                               {GAMM}

assign (resid 2 and name H5' and segid S1)
        (resid 2 and name H6 and segid S1)
        3.310 0.990 0.990                               {GAMM}

assign (resid 2 and name H5'' and segid S1)
        (resid 2 and name H6 and segid S1)
        3.420 1.030 1.030                               {GAMM}

assign (resid 2 and name H5' and segid S1)
        (resid 2 and name H5 and segid S1)
        5.130 1.540 1.540                               {GAMM}

assign (resid 2 and name H5'' and segid S1)
        (resid 2 and name H5 and segid S1)
        5.580 1.670 1.670                               {GAMM}

assign (resid 11 and name H5' and segid S2)
        (resid 11 and name H4' and segid S2)
        2.000 0.500 0.600                               {GAMM}

assign (resid 11 and name H5'' and segid S2)
        (resid 11 and name H3' and segid S2)
        2.530 0.760 0.760                               {GAMM}

assign (resid 11 and name H5' and segid S2)
        (resid 11 and name H3' and segid S2)
        2.980 0.890 0.890                               {GAMM}

assign (resid 11 and name H5'' and segid S2)
        (resid 11 and name H8 and segid S2)
        4.880 1.460 1.460                               {GAMM}

assign (resid 11 and name H8 and segid S2)
        (resid 11 and name H5' and segid S2)
        5.260 1.580 1.580                               {GAMM}

assign (resid 12 and name H5' and segid S2)
        (resid 12 and name H4' and segid S2)
        2.230 0.670 0.670                               {GAMM}

assign (resid 12 and name H5'' and segid S2)
        (resid 12 and name H4' and segid S2)
        2.340 0.700 0.700                               {GAMM}

assign (resid 12 and name H3' and segid S2)
        (resid 12 and name H5'' and segid S2)
        2.590 0.780 0.780                               {GAMM}

assign (resid 12 and name H3' and segid S2)
        (resid 12 and name H5' and segid S2)
        2.760 0.830 0.830                               {GAMM}

assign (resid 12 and name H5'' and segid S2)
        (resid 12 and name H8 and segid S2)
        3.380 1.010 1.010                               {GAMM}

assign (resid 12 and name H5' and segid S2)
        (resid 12 and name H8 and segid S2)
        4.360 1.310 1.310                               {GAMM}

assign (resid 2 and name H4' and segid S1)
        (resid 2 and name H1' and segid S1)
        2.600 0.780 0.780                               {P}

assign (resid 2 and name H2'' and segid S1)
        (resid 2 and name H4' and segid S1)
        4.550 1.370 1.360                               {P}

assign (resid 5 and name H1' and segid S1)
        (resid 5 and name H4' and segid S1)
        2.620 0.790 0.790                               {P}

assign (resid 6 and name H4' and segid S1)
        (resid 6 and name H1' and segid S1)
        2.520 0.760 0.760                               {P}

assign (resid 11 and name H1' and segid S2)
        (resid 11 and name H4' and segid S2)
        2.790 0.840 0.840                               {P}

assign (resid 11 and name H4' and segid S2)
        (resid 11 and name H2'' and segid S2)
        3.930 1.180 1.180                               {P}

assign (resid 12 and name H4' and segid S2)
        (resid 12 and name H1' and segid S2)
        2.610 0.780 0.780                               {P}

assign (resid 12 and name H4' and segid S2)
        (resid 12 and name H2'' and segid S2)
        4.080 1.220 1.220                               {P}

assign (resid 13 and name H4' and segid S2)
        (resid 13 and name H2'' and segid S2)
        3.890 1.170 1.170                               {P}

assign (resid 14 and name H4' and segid S2)
        (resid 14 and name H2'' and segid S2)
        3.780 1.130 1.130                               {P}

assign (resid 17 and name H1' and segid S3)
        (resid 17 and name H4' and segid S3)
        2.620 0.790 0.790                               {P}

assign (resid 18 and name H4' and segid S3)
        (resid 18 and name H1' and segid S3)
        2.540 0.760 0.760                               {P}

assign (resid 19 and name H1' and segid S3)
        (resid 19 and name H4' and segid S3)
        3.050 0.910 0.910                               {P}

assign (resid 1 and name H1' and segid S1)
        (resid 2 and name H6 and segid S1)
        3.400 1.000 1.000                               {SB}

assign (resid 1 and name H2' and segid S1)
        (resid 2 and name H6 and segid S1)
        3.500 1.250 1.250                               {SB}

assign (resid 1 and name H2'' and segid S1)
        (resid 2 and name H6 and segid S1)
        3.000 0.900 0.900                               {SB}

assign (resid 2 and name H2' and segid S1)
        (resid 3 and name H6 and segid S1)
        2.540 0.760 0.760                               {SB}

assign (resid 2 and name H2'' and segid S1)
        (resid 3 and name H6 and segid S1)
        2.700 0.810 0.810                               {SB}

assign (resid 3 and name H5# and segid S1)
        (resid 2 and name H3' and segid S1)
        3.700 1.110 1.110                               {SB}

assign (resid 3 and name H5# and segid S1)
        (resid 2 and name H2'' and segid S1)
        3.820 1.150 1.150                               {SB}

assign (resid 3 and name H6 and segid S1)
        (resid 2 and name H3' and segid S1)
        3.970 1.190 1.190                               {SB}

assign (resid 3 and name H3' and segid S1)
        (resid 4 and name H5# and segid S1)
        3.670 1.100 1.100                               {SB}

assign (resid 4 and name H5# and segid S1)
        (resid 3 and name H2' and segid S1)
        3.260 0.980 0.980                               {SB}

assign (resid 4 and name H5# and segid S1)
        (resid 3 and name H2'' and segid S1)
        3.810 1.140 1.140                               {SB}

assign (resid 4 and name H2'' and segid S1)
        (resid 5 and name H6 and segid S1)
        2.290 0.690 0.690                               {SB}

assign (resid 4 and name H1' and segid S1)
        (resid 5 and name H6 and segid S1)
        2.840 0.850 0.850                               {SB}

assign (resid 4 and name H3' and segid S1)
        (resid 5 and name H5 and segid S1)
        4.750 1.420 1.430                               {SB}

assign (resid 4 and name H5# and segid S1)
        (resid 5 and name H1' and segid S1)
        5.500 0.000 50.000                              {SB}

assign (resid 5 and name H5 and segid S1)
        (resid 4 and name H2'' and segid S1)
        3.330 1.000 1.000                               {SB}

assign (resid 5 and name H5 and segid S1)
        (resid 4 and name H2' and segid S1)
        3.340 1.000 1.000                               {SB}

assign (resid 5 and name H6 and segid S1)
        (resid 4 and name H3' and segid S1)
        3.500 1.050 1.050                               {SB}

assign (resid 5 and name H5 and segid S1)
        (resid 4 and name H1' and segid S1)
        3.980 1.190 1.190                               {SB}

assign (resid 5 and name H2' and segid S1)
        (resid 6 and name H6 and segid S1)
        2.090 0.590 0.630                               {SB}

assign (resid 5 and name H3' and segid S1)
        (resid 6 and name H6 and segid S1)
        3.250 0.970 0.970                               {SB}

assign (resid 5 and name H1' and segid S1)
        (resid 6 and name H6 and segid S1)
        3.800 1.140 1.140                               {SB}

assign (resid 6 and name H5# and segid S1)
        (resid 5 and name H3' and segid S1)
        2.930 0.880 0.880                               {SB}

assign (resid 6 and name H5# and segid S1)
        (resid 5 and name H2' and segid S1)
        3.460 1.040 1.040                               {SB}

assign (resid 6 and name H5# and segid S1)
        (resid 5 and name H1' and segid S1)
        5.480 1.640 1.640                               {SB}

assign (resid 6 and name H2'' and segid S1)
        (resid 7 and name H6 and segid L1)
        2.280 0.680 0.680                               {SB}

assign (resid 6 and name H3' and segid S1)
        (resid 7 and name H5 and segid L1)
        4.070 1.220 1.220                               {SB}

assign (resid 6 and name H5# and segid S1)
        (resid 7 and name H1' and segid L1)
        6.000 0.000 50.000                              {SB}

assign (resid 7 and name H6 and segid L1)
        (resid 6 and name H2' and segid S1)
        2.950 0.880 0.880                               {SB}

assign (resid 7 and name H5 and segid L1)
        (resid 6 and name H2'' and segid S1)
        3.200 0.960 0.960                               {SB}

assign (resid 7 and name H5 and segid L1)
        (resid 6 and name H2' and segid S1)
        3.370 1.010 1.010                               {SB}

assign (resid 7 and name H5 and segid L1)
        (resid 6 and name H1' and segid S1)
        4.240 1.270 1.270                               {SB}

assign (resid 10 and name H2'' and segid L1)
        (resid 11 and name H8 and segid S2)
        2.830 0.850 0.850                               {SB}

assign (resid 10 and name H1' and segid L1)
        (resid 11 and name H8 and segid S2)
        3.760 1.130 1.130                               {SB}

assign (resid 10 and name H2' and segid L1)
        (resid 11 and name H8 and segid S2)
        4.090 1.230 1.230                               {SB}

assign (resid 11 and name H1' and segid S2)
        (resid 12 and name H8 and segid S2)
        2.930 0.880 0.880                               {SB}

assign (resid 11 and name H2'' and segid S2)
        (resid 12 and name H8 and segid S2)
        2.960 0.890 0.890                               {SB}

assign (resid 11 and name H2 and segid S2)
        (resid 12 and name H1' and segid S2)
        3.450 1.040 1.040                               {SB}

assign (resid 11 and name H2' and segid S2)
        (resid 12 and name H8 and segid S2)
        3.490 1.050 1.050                               {SB}

assign (resid 11 and name H3' and segid S2)
        (resid 12 and name H8 and segid S2)
        4.810 1.440 1.440                               {SB}

assign (resid 13 and name H2'' and segid S2)
        (resid 14 and name H8 and segid S2)
        2.670 0.800 0.800                               {SB}

assign (resid 14 and name H1' and segid S2)
        (resid 13 and name H2 and segid S2)
        3.760 1.130 1.130                               {SB}

assign (resid 14 and name H2'' and segid S2)
        (resid 15 and name H8 and segid S2)
        2.630 0.790 0.790                               {SB}

assign (resid 14 and name H2' and segid S2)
        (resid 15 and name H8 and segid S2)
        2.820 0.850 0.850                               {SB}

assign (resid 15 and name H1' and segid S2)
        (resid 16 and name H8 and segid S2)
        4.500 1.500 1.500                               {SB}

assign (resid 15 and name H2' and segid S2)
        (resid 16 and name H8 and segid S2)
        3.500 1.250 1.250                               {SB}

assign (resid 15 and name H2'' and segid S2)
        (resid 16 and name H8 and segid S2)
        3.300 0.950 0.950                               {SB}

assign (resid 17 and name H2'' and segid S3)
        (resid 18 and name H6 and segid S3)
        2.670 0.800 0.800                               {SB}

assign (resid 17 and name H5# and segid S3)
        (resid 18 and name H1' and segid S3)
        6.000 0.000 50.000                              {SB}

assign (resid 18 and name H5 and segid S3)
        (resid 17 and name H2' and segid S3)
        3.450 1.040 1.040                               {SB}

assign (resid 19 and name H6 and segid S3)
        (resid 18 and name H3' and segid S3)
        4.180 1.250 1.250                               {SB}

assign (resid 19 and name H5# and segid S3)
        (resid 18 and name H1' and segid S3)
        5.040 1.510 1.510                               {SB}

assign (resid 19 and name H2' and segid S3)
        (resid 20 and name H6 and segid S3)
        2.600 0.780 0.780                               {SB}

assign (resid 19 and name H5# and segid S3)
        (resid 20 and name H1' and segid S3)
        5.000 0.000 50.000                              {SB}

assign (resid 20 and name H5# and segid S3)
        (resid 19 and name H2' and segid S3)
        3.450 1.040 1.040                               {SB}

assign (resid 20 and name H6 and segid S3)
        (resid 19 and name H1' and segid S3)
        3.600 1.080 1.080                               {SB}

assign (resid 20 and name H3' and segid S3)
        (resid 21 and name H6 and segid S3)
        3.810 1.140 1.140                               {SB}

assign (resid 20 and name H1' and segid S3)
        (resid 21 and name H6 and segid S3)
        3.860 1.160 1.160                               {SB}

assign (resid 21 and name H5 and segid S3)
        (resid 20 and name H2' and segid S3)
        3.580 1.070 1.070                               {SB}

assign (resid 21 and name H5 and segid S3)
        (resid 20 and name H2'' and segid S3)
        3.870 1.160 1.160                               {SB}

assign (resid 21 and name H2' and segid S3)
        (resid 22 and name H6 and segid S3)
        3.200 0.950 0.950                               {SB}

assign (resid 21 and name H2'' and segid S3)
        (resid 22 and name H6 and segid S3)
        3.600 1.100 1.100                               {SB}

assign (resid 5 and name H2' and segid S1)
        (resid 6 and name H3' and segid S1)
        3.580 1.070 1.070                               {SS}

assign (resid 11 and name H5'' and segid S2)
        (resid 10 and name H1' and segid L1)
        3.360 1.010 1.010                               {SS}

assign (resid 11 and name H5'' and segid S2)
        (resid 10 and name H2'' and segid L1)
        3.530 1.060 1.060                               {SS}

assign (resid 11 and name H4' and segid S2)
        (resid 10 and name H1' and segid L1)
        3.400 0.400 1.400                               {SS}

assign (resid 11 and name H2' and segid S2)
        (resid 10 and name H2'' and segid L1)
        5.090 1.530 1.530                               {SS}

assign (resid 14 and name H2' and segid S2)
        (resid 15 and name H1' and segid S2)
        5.540 1.660 1.660                               {SS}

assign (resid 20 and name H2' and segid S3)
        (resid 21 and name H1' and segid S3)
        4.250 1.280 1.280                               {SS}

assign (resid 6 and name H5# and segid S1)
        (resid 5 and name H4' and segid S1)
        6.000 1.800 1.800                               {UD}

assign (resid 6 and name H2'' and segid S1)
        (resid 7 and name H1' and segid L1)
        4.250 1.280 1.280                               {UD}

assign (resid 8 and name H5 and segid L1)
        (resid 11 and name H2 and segid S2)
        5.330 1.600 1.600                               {UD}

assign (resid 10 and name H1' and segid L1)
        (resid 11 and name H2'' and segid S2)
        4.810 1.440 1.440                               {UD}

assign (resid 10 and name H8 and segid L1)
        (resid 11 and name H2 and segid S2)
        5.270 1.580 1.580                               {UD}

assign (resid 10 and name H8 and segid L1)
        (resid 11 and name H5' and segid S2)
        6.090 1.830 1.830                               {UD}

assign (resid 10 and name H4' and segid L1)
        (resid 11 and name H8 and segid S2)
        6.390 1.920 1.920                               {UD}

assign (resid 11 and name H4' and segid S2)
        (resid 8 and name H1' and segid L1)
        5.320 1.600 1.600                               {UD}

assign (resid 11 and name H5' and segid S2)
        (resid 10 and name H1' and segid L1)
        2.810 0.840 0.840                               {UD}

assign (resid 11 and name H4' and segid S2)
        (resid 10 and name H1' and segid L1)
        3.660 1.100 1.100                               {UD}

assign (resid 11 and name H5' and segid S2)
        (resid 10 and name H2'' and segid L1)
        3.960 1.190 1.190                               {UD}

assign (resid 11 and name H2' and segid S2)
        (resid 10 and name H1' and segid L1)
        5.200 1.560 1.560                               {UD}

assign (resid 11 and name H3' and segid S2)
        (resid 10 and name H1' and segid L1)
        5.360 1.610 1.610                               {UD}

assign (resid 11 and name H2'' and segid S2)
        (resid 10 and name H2'' and segid L1)
        5.470 1.640 1.640                               {UD}

assign (resid 11 and name H1' and segid S2)
        (resid 10 and name H8 and segid L1)
        5.950 1.780 1.780                               {UD}

assign (resid 11 and name H1' and segid S2)
        (resid 11 and name H2 and segid S2)
        4.470 1.340 1.340                               {UD}

assign (resid 11 and name H2'' and segid S2)
        (resid 12 and name H1' and segid S2)
        5.190 1.560 1.560                               {UD}

assign (resid 12 and name H4' and segid S2)
        (resid 11 and name H1' and segid S2)
        4.310 1.290 1.290                               {UD}

assign (resid 12 and name H1' and segid S2)
        (resid 11 and name H1' and segid S2)
        4.310 1.290 1.290                               {UD}

assign (resid 12 and name H5' and segid S2)
        (resid 11 and name H3' and segid S2)
        4.870 1.460 1.460                               {UD}

assign (resid 12 and name H3' and segid S2)
        (resid 11 and name H1' and segid S2)
        5.640 1.690 1.690                               {UD}

assign (resid 15 and name H1' and segid S2)
        (resid 14 and name H2'' and segid S2)
        5.090 1.530 1.530                               {UD}

class H2O

assign (resid 4 and name H3 and segid S1)
        (resid 3 and name H3 and segid S1)
        4.050 1.620 2.430                               {H2O}

assign (resid 4 and name H5# and segid S1)
        (resid 3 and name H3 and segid S1)
        5.890 2.356 3.534                               {H2O}

assign (resid 4 and name H3 and segid S1)
        (resid 12 and name H1 and segid S2)
        5.410 2.164 3.246                               {H2O}

assign (resid 5 and name HN* and segid S1)
        (resid 4 and name H3 and segid S1)
        4.700 1.880 2.820                               {H2O}

assign (resid 5 and name HN* and segid S1)
        (resid 6 and name H3 and segid S1)
        4.880 1.952 2.928                               {H2O}

assign (resid 5 and name HN* and segid S1)
        (resid 12 and name H1 and segid S2)
        3.340 1.336 2.004                               {H2O}

assign (resid 5 and name H5 and segid S1)
        (resid 12 and name H1 and segid S2)
        3.730 1.492 2.238                               {H2O}

assign (resid 10 and name H2'' and segid L1)
        (resid 17 and name H3 and segid S3)
        3.840 1.536 2.304                               {H2O}

assign (resid 10 and name H2' and segid L1)
        (resid 17 and name H3 and segid S3)
        3.900 1.560 2.340                               {H2O}

assign (resid 10 and name H8 and segid L1)
        (resid 17 and name H3 and segid S3)
        4.540 1.816 2.724                               {H2O}

assign (resid 11 and name H2 and segid S2)
        (resid 6 and name H3 and segid S1)
        2.590 1.036 1.554                               {H2O}

assign (resid 11 and name HN* and segid S2)
        (resid 6 and name H3 and segid S1)
        3.040 1.216 1.824                               {H2O}

assign (resid 11 and name HN* and segid S2)
        (resid 6 and name H3 and segid S1)
        3.790 1.516 2.274                               {H2O}

assign (resid 11 and name HN* and segid S2)
        (resid 7 and name HN* and segid L1)
        4.160 1.664 2.496                               {H2O}

assign (resid 11 and name HN* and segid S2)
        (resid 12 and name H1 and segid S2)
        2.920 1.168 1.752                               {H2O}

assign (resid 11 and name H2 and segid S2)
        (resid 12 and name H1 and segid S2)
        3.320 1.328 1.992                               {H2O}

assign (resid 11 and name HN* and segid S2)
        (resid 12 and name H1 and segid S2)
        3.820 1.528 2.292                               {H2O}

assign (resid 11 and name HN* and segid S2)
        (resid 17 and name H3 and segid S3)
        3.110 1.244 1.866                               {H2O}

assign (resid 11 and name H8 and segid S2)
        (resid 17 and name H3 and segid S3)
        3.340 1.336 2.004                               {H2O}

assign (resid 11 and name H2' and segid S2)
        (resid 17 and name H3 and segid S3)
        3.720 1.488 2.232                               {H2O}

assign (resid 11 and name HN* and segid S2)
        (resid 17 and name H3 and segid S3)
        4.140 1.656 2.484                               {H2O}

assign (resid 11 and name H3' and segid S2)
        (resid 17 and name H3 and segid S3)
        4.660 1.864 2.796                               {H2O}

assign (resid 11 and name HN* and segid S2)
        (resid 18 and name HN* and segid S3)
        3.260 1.304 1.956                               {H2O}

assign (resid 12 and name H1 and segid S2)
        (resid 6 and name H3 and segid S1)
        3.740 1.496 2.244                               {H2O}

assign (resid 12 and name H8 and segid S2)
        (resid 17 and name H3 and segid S3)
        5.800 2.320 3.480                               {H2O}

assign (resid 12 and name H8 and segid S2)
        (resid 18 and name H3 and segid S3)
        4.050 1.620 2.430                               {H2O}

assign (resid 12 and name H8 and segid S2)
        (resid 19 and name H3 and segid S3)
        4.200 1.680 2.520                               {H2O}

assign (resid 12 and name H2' and segid S2)
        (resid 19 and name H3 and segid S3)
        4.340 1.736 2.604                               {H2O}

assign (resid 12 and name H2'' and segid S2)
        (resid 19 and name H3 and segid S3)
        4.460 1.784 2.676                               {H2O}

assign (resid 13 and name H2 and segid S2)
        (resid 3 and name H3 and segid S1)
        4.260 1.704 2.556                               {H2O}

assign (resid 13 and name H2 and segid S2)
        (resid 4 and name H3 and segid S1)
        2.910 1.164 1.746                               {H2O}

assign (resid 13 and name HN* and segid S2)
        (resid 4 and name H3 and segid S1)
        3.290 1.316 1.974                               {H2O}

assign (resid 13 and name HN* and segid S2)
        (resid 4 and name H3 and segid S1)
        3.350 1.340 2.010                               {H2O}

assign (resid 13 and name H2 and segid S2)
        (resid 12 and name H1 and segid S2)
        3.780 1.512 2.268                               {H2O}

assign (resid 13 and name HN* and segid S2)
        (resid 19 and name H3 and segid S3)
        3.230 1.292 1.938                               {H2O}

assign (resid 13 and name H8 and segid S2)
        (resid 19 and name H3 and segid S3)
        3.230 1.292 1.938                               {H2O}

assign (resid 13 and name HN* and segid S2)
        (resid 19 and name H3 and segid S3)
        3.630 1.452 2.178                               {H2O}

assign (resid 13 and name H2'' and segid S2)
        (resid 20 and name H3 and segid S3)
        3.770 1.508 2.262                               {H2O}

assign (resid 13 and name H2' and segid S2)
        (resid 20 and name H3 and segid S3)
        4.050 1.620 2.430                               {H2O}

assign (resid 14 and name H2 and segid S2)
        (resid 3 and name H3 and segid S1)
        2.790 1.116 1.674                               {H2O}

assign (resid 14 and name HN* and segid S2)
        (resid 3 and name H3 and segid S1)
        3.300 1.320 1.980                               {H2O}

assign (resid 14 and name HN* and segid S2)
        (resid 3 and name H3 and segid S1)
        3.490 1.396 2.094                               {H2O}

assign (resid 14 and name H2 and segid S2)
        (resid 4 and name H3 and segid S1)
        3.520 1.408 2.112                               {H2O}

assign (resid 14 and name HN* and segid S2)
        (resid 20 and name H3 and segid S3)
        3.420 1.368 2.052                               {H2O}

assign (resid 14 and name HN* and segid S2)
        (resid 20 and name H3 and segid S3)
        3.970 1.588 2.382                               {H2O}

assign (resid 14 and name H2' and segid S2)
        (resid 20 and name H3 and segid S3)
        4.240 1.696 2.544                               {H2O}

assign (resid 15 and name H1 and segid S2)
        (resid 3 and name H3 and segid S1)
        4.340 1.736 2.604                               {H2O}

assign (resid 15 and name H8 and segid S2)
        (resid 21 and name H3 and segid S3)
        4.590 1.836 2.754                               {H2O}

assign (resid 17 and name H3 and segid S3)
        (resid 6 and name H3 and segid S1)
        4.240 1.696 2.544                               {H2O}

assign (resid 18 and name HN* and segid S3)
        (resid 12 and name H1 and segid S2)
        4.880 1.952 2.928                               {H2O}

assign (resid 18 and name HN* and segid S3)
        (resid 12 and name H1 and segid S2)
        5.640 2.256 3.384                               {H2O}

assign (resid 18 and name HN* and segid S3)
        (resid 17 and name H3 and segid S3)
        3.930 1.572 2.358                               {H2O}

assign (resid 18 and name HN* and segid S3)
        (resid 17 and name H3 and segid S3)
        4.160 1.664 2.496                               {H2O}

assign (resid 19 and name H3 and segid S3)
        (resid 20 and name H3 and segid S3)
        3.980 1.592 2.388                               {H2O}

assign (resid 20 and name H3 and segid S3)
        (resid 3 and name H3 and segid S1)
        5.180 2.072 3.108                               {H2O}

assign (resid 21 and name HN* and segid S3)
        (resid 20 and name H3 and segid S3)
        4.140 1.656 2.484                               {H2O}

assign (resid 21 and name HN* and segid S3)
        (resid 20 and name H3 and segid S3)
        4.330 1.732 2.598                               {H2O}

assign (resid 1 and name HN' and segid S1)
        (resid 16 and name O6 and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 1 and name N3 and segid S1)
        (resid 16 and name H1 and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 1 and name O2 and segid S1)
        (resid 16 and name HN'' and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 1 and name N4 and segid S1)
        (resid 16 and name O6 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 1 and name N3 and segid S1)
        (resid 16 and name N1 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 1 and name O2 and segid S1)
        (resid 16 and name N2 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 2 and name HN' and segid S1)
        (resid 15 and name O6 and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 2 and name N3 and segid S1)
        (resid 15 and name H1 and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 2 and name O2 and segid S1)
        (resid 15 and name HN'' and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 2 and name N4 and segid S1)
        (resid 15 and name O6 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 2 and name N3 and segid S1)
        (resid 15 and name N1 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 2 and name O2 and segid S1)
        (resid 15 and name N2 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 3 and name O4 and segid S1)
        (resid 14 and name HN' and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 3 and name H3 and segid S1)
        (resid 14 and name N1 and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 3 and name O4 and segid S1)
        (resid 14 and name N6 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 3 and name N3 and segid S1)
        (resid 14 and name N1 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 4 and name O4 and segid S1)
        (resid 13 and name HN' and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 4 and name H3 and segid S1)
        (resid 13 and name N1 and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 4 and name O4 and segid S1)
        (resid 13 and name N6 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 4 and name N3 and segid S1)
        (resid 13 and name N1 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 5 and name HN'' and segid S1)
        (resid 12 and name O6 and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 5 and name N3 and segid S1)
        (resid 12 and name H1 and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 5 and name O2 and segid S1)
        (resid 12 and name HN' and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 5 and name N4 and segid S1)
        (resid 12 and name O6 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 5 and name N3 and segid S1)
        (resid 12 and name N1 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 5 and name O2 and segid S1)
        (resid 12 and name N2 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 6 and name O4 and segid S1)
        (resid 11 and name HN' and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 6 and name H3 and segid S1)
        (resid 11 and name N1 and segid S2)
        1.800 0.200 0.200                               {HB}

assign (resid 6 and name O4 and segid S1)
        (resid 11 and name N6 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 6 and name N3 and segid S1)
        (resid 11 and name N1 and segid S2)
        2.800 0.500 0.500                               {HB}

assign (resid 11 and name HN'' and segid S2)
        (resid 17 and name O4 and segid S3)
        1.800 0.200 0.200                               {HB}

assign (resid 11 and name N7 and segid S2)
        (resid 17 and name H3 and segid S3)
        1.800 0.200 0.200                               {HB}

assign (resid 11 and name N6 and segid S2)
        (resid 17 and name O4 and segid S3)
        2.800 0.500 0.500                               {HB}

assign (resid 11 and name N7 and segid S2)
        (resid 17 and name N3 and segid S3)
        2.800 0.500 0.500                               {HB}

assign (resid 12 and name O6 and segid S2)
        (resid 18 and name HN'' and segid S3)
        1.800 0.200 0.200                               {HB}

assign (resid 12 and name N7 and segid S2)
        (resid 18 and name H3 and segid S3)
        1.800 0.200 0.200                               {HB}

assign (resid 12 and name O6 and segid S2)
        (resid 18 and name N4 and segid S3)
        2.800 0.500 0.500                               {HB}

assign (resid 12 and name N7 and segid S2)
        (resid 18 and name N3 and segid S3)
        2.800 0.500 0.500                               {HB}

assign (resid 13 and name HN'' and segid S2)
        (resid 19 and name O4 and segid S3)
        1.800 0.200 0.200                               {HB}

assign (resid 13 and name N7 and segid S2)
        (resid 19 and name H3 and segid S3)
        1.800 0.200 0.200                               {HB}

assign (resid 13 and name N6 and segid S2)
        (resid 19 and name O4 and segid S3)
        2.800 0.500 0.500                               {HB}

assign (resid 13 and name N7 and segid S2)
        (resid 19 and name N3 and segid S3)
        2.800 0.500 0.500                               {HB}

assign (resid 14 and name HN'' and segid S2)
        (resid 20 and name O4 and segid S3)
        1.800 0.200 0.200                               {HB}

assign (resid 14 and name N7 and segid S2)
        (resid 20 and name H3 and segid S3)
        1.800 0.200 0.200                               {HB}

assign (resid 14 and name N6 and segid S2)
        (resid 20 and name O4 and segid S3)
        2.800 0.500 0.500                               {HB}

assign (resid 14 and name N7 and segid S2)
        (resid 20 and name N3 and segid S3)
        2.800 0.500 0.500                               {HB}

assign (resid 15 and name O6 and segid S2)
        (resid 21 and name HN' and segid S3)
        1.800 0.200 0.200                               {HB}

assign (resid 15 and name N7 and segid S2)
        (resid 21 and name H3 and segid S3)
        1.800 0.200 0.200                               {HB}

assign (resid 15 and name O6 and segid S2)
        (resid 21 and name N4 and segid S3)
        2.800 0.500 0.500                               {HB}

assign (resid 15 and name N7 and segid S2)
        (resid 21 and name N3 and segid S3)
        2.800 0.500 0.500                               {HB}

assign (resid 16 and name O6 and segid S2)
        (resid 22 and name HN' and segid S3)
        1.800 0.200 0.200                               {HB}

assign (resid 16 and name N7 and segid S2)
        (resid 22 and name H3 and segid S3)
        1.800 0.200 0.200                               {HB}

assign (resid 16 and name O6 and segid S2)
        (resid 22 and name N4 and segid S3)
        2.800 0.500 0.500                               {HB}

assign (resid 16 and name N7 and segid S2)
        (resid 22 and name N3 and segid S3)
        2.800 0.500 0.500                               {HB}

class CG

assign (resid 8 and name H3' and segid L1)
        (resid 9 and name H5 and segid L1)
        3.547 0.355 0.532                               {SB}

assign (resid 8 and name H6 and segid L1)
        (resid 7 and name H1' and segid L1)
        2.664 0.266 0.400                               {SB}

assign (resid 8 and name H3' and segid L1)
        (resid 9 and name H6 and segid L1)
        3.306 0.331 0.496                               {SB}

assign (resid 8 and name H3' and segid L1)
        (resid 7 and name H2' and segid L1)
        3.582 0.358 0.537                               {SS}

assign (resid 7 and name H1' and segid L1)
        (resid 8 and name H2'' and segid L1)
        2.869 0.287 0.430                               {SS}

assign (resid 9 and name H5' and segid L1)
        (resid 10 and name H8 and segid L1)
        3.472 0.347 0.521                               {UD}

assign (resid 7 and name H2' and segid L1)
        (resid 9 and name H5 and segid L1)
        3.696 0.370 0.554                               {UD}

assign (resid 9 and name H5 and segid L1)
        (resid 7 and name H6 and segid L1)
        3.866 0.387 0.580                               {UD}

assign (resid 9 and name H5' and segid L1)
        (resid 8 and name H2'' and segid L1)
        2.606 0.261 0.391                               {SS}

assign (resid 7 and name H4' and segid L1)
        (resid 8 and name H5 and segid L1)
        2.949 0.295 0.442                               {SB}

assign (resid 8 and name H3' and segid L1)
        (resid 7 and name H1' and segid L1)
        3.064 0.306 0.460                               {SS}

assign (resid 7 and name H1' and segid L1)
        (resid 8 and name H5 and segid L1)
        3.128 0.313 0.469                               {SB}

assign (resid 8 and name H1' and segid L1)
        (resid 9 and name H5'' and segid L1)
        3.808 0.381 0.571                               {SS}

assign (resid 9 and name H5' and segid L1)
        (resid 8 and name H3' and segid L1)
        4.619 0.462 0.693                               {SS}

assign (resid 8 and name H1' and segid L1)
        (resid 9 and name H5' and segid L1)
        3.118 0.312 0.468                               {SS}

assign (resid 8 and name H6 and segid L1)
        (resid 7 and name H2'' and segid L1)
        3.855 0.385 0.578                               {SB}

assign (resid 9 and name H4' and segid L1)
        (resid 10 and name H1' and segid L1)
        3.960 0.396 0.594                               {SS}

assign (resid 9 and name H4' and segid L1)
        (resid 10 and name H8 and segid L1)
        4.010 0.401 0.602                               {UD}

assign (resid 8 and name H6 and segid L1)
        (resid 7 and name H2' and segid L1)
        4.292 0.429 0.644                               {SB}

assign (resid 8 and name H2'' and segid L1)
        (resid 9 and name H5 and segid L1)
        4.027 0.403 0.805                               {SB}

assign (resid 10 and name H8 and segid L1)
        (resid 10 and name H1' and segid L1)
        2.560 0.256 0.512                               {CH}

assign (resid 8 and name H2' and segid L1)
        (resid 7 and name H1' and segid L1)
        2.704 0.270 0.541                               {SB}

assign (resid 9 and name H6 and segid L1)
        (resid 9 and name H5' and segid L1)
        3.800 0.380 0.760                               {GAM}

assign (resid 9 and name H6 and segid L1)
        (resid 9 and name H5'' and segid L1)
        3.920 0.392 0.784                               {GAM}

assign (resid 7 and name H3' and segid L1)
        (resid 8 and name H5 and segid L1)
        4.323 0.432 0.865                               {SB}

assign (resid 7 and name H3 and segid L1)
        (resid 10 and name N7 and segid L1)
        1.900 0.300 0.300                               {EXC}

assign (resid 7 and name HN'* and segid L1)
        (resid 10 and name O6 and segid L1)
        1.900 0.300 0.300                               {EXC}

assign (resid 7 and name N3 and segid L1)
        (resid 10 and name N7 and segid L1)
        3.000 0.500 0.500                               {EXC}

assign (resid 7 and name N4 and segid L1)
        (resid 10 and name O6 and segid L1)
        3.000 0.500 0.500                               {EXC}

assign (resid 8 and name H3' and segid L1)
        (resid 7 and name H2'' and segid L1)
        3.000 0.500 1.000                               {SS}

assign (resid 7 and name H6 and segid L1)
        (resid 7 and name H2' and segid L1)
        2.500 0.700 1.000                               {CHP}

assign (resid 8 and name H6 and segid L1)
        (resid 8 and name H2' and segid L1)
        2.500 0.700 1.000                               {CHP}

assign (resid 9 and name H6 and segid L1)
        (resid 9 and name H2' and segid L1)
        2.500 0.700 1.000                               {CHP}

assign (resid 7 and name H4' and segid L1)
        (resid 8 and name H6 and segid L1)
        3.500 1.000 1.500                               {SB}

assign (resid 7 and name H1' and segid L1)
        (resid 11 and name H2 and segid S2)
        3.500 1.000 1.500                               {UD}

assign (resid 9 and name H6 and segid L1)
        (resid 7 and name H5 and segid L1)
        3.500 1.000 1.500                               {UD}

assign (resid 10 and name H8 and segid L1)
        (resid 8 and name H1' and segid L1)
        3.500 1.000 1.500                               {UD}

assign (resid 10 and name H8 and segid L1)
        (resid 8 and name H2' and segid L1)
        3.500 1.000 1.500                               {UD}

assign (resid 10 and name H8 and segid L1)
        (resid 8 and name H2'' and segid L1)
        3.500 1.000 1.500                               {UD}

assign (resid 9 and name H5' and segid L1)
        (resid 8 and name H2' and segid L1)
        3.500 1.000 1.500                               {SS}

assign (resid 9 and name H5'' and segid L1)
        (resid 8 and name H2' and segid L1)
        3.500 1.000 1.500                               {SS}

assign (resid 9 and name H5'' and segid L1)
        (resid 8 and name H2'' and segid L1)
        3.500 1.000 1.500                               {SS}

assign (resid 7 and name H6 and segid L1)
        (resid 7 and name H1' and segid L1)
        3.000 0.500 2.000                               {CH}

assign (resid 8 and name H6 and segid L1)
        (resid 8 and name H1' and segid L1)
        3.000 0.500 2.000                               {CH}

assign (resid 9 and name H6 and segid L1)
        (resid 9 and name H1' and segid L1)
        3.000 0.500 2.000                               {CH}

assign (resid 7 and name H6 and segid L1)
        (resid 7 and name H2'' and segid L1)
        3.000 0.500 2.000                               {CHP}

assign (resid 8 and name H6 and segid L1)
        (resid 8 and name H2'' and segid L1)
        3.000 0.500 2.000                               {CHP}

assign (resid 9 and name H6 and segid L1)
        (resid 9 and name H2'' and segid L1)
        3.000 0.500 2.000                               {CHP}

assign (resid 7 and name H2'' and segid L1)
        (resid 9 and name H5 and segid L1)
        3.000 0.500 2.000                               {UD}

assign (resid 9 and name H5'' and segid L1)
        (resid 10 and name H8 and segid L1)
        3.000 0.500 2.000                               {UD}

assign (resid 8 and name H1' and segid L1)
        (resid 7 and name H1' and segid L1)
        3.000 0.500 2.000                               {SS}

assign (resid 8 and name H2' and segid L1)
        (resid 9 and name H5 and segid L1)
        4.000 1.000 2.500                               {SB}

assign (resid 7 and name HN'* and segid L1)
        (resid 6 and name H6 and segid S1)
        4.000 2.200 2.500                               {EXC}

assign (resid 7 and name HN'* and segid L1)
        (resid 6 and name H5# and segid S1)
        4.000 2.200 2.500                               {EXC}

assign (resid 7 and name HN'* and segid L1)
        (resid 6 and name H3 and segid S1)
        4.000 2.200 2.500                               {EXC}

assign (resid 7 and name HN'* and segid L1)
        (resid 7 and name H6 and segid L1)
        4.000 2.200 2.500                               {EXC}

assign (resid 7 and name HN'* and segid L1)
        (resid 9 and name H6 and segid L1)
        4.000 2.200 2.500                               {EXC}

assign (resid 7 and name HN'* and segid L1)
        (resid 9 and name H1' and segid L1)
        4.000 2.200 2.500                               {EXC}

assign (resid 7 and name HN'* and segid L1)
        (resid 11 and name HN'* and segid S2)
        4.000 2.200 2.500                               {EXC}

assign (resid 10 and name H8 and segid L1)
        (resid 10 and name H2' and segid L1)
        4.000 0.000 50.000                              {CHP}

assign (resid 10 and name H8 and segid L1)
        (resid 10 and name H2'' and segid L1)
        4.000 0.000 50.000                              {CHP}

assign (resid 6 and name H2' and segid S1)
        (resid 7 and name H2' and segid L1)
        4.000 0.000 50.000                              {NON}

assign (resid 6 and name H1' and segid S1)
        (resid 8 and name H5 and segid L1)
        4.000 0.000 50.000                              {NON}

assign (resid 6 and name H2' and segid S1)
        (resid 8 and name H5 and segid L1)
        4.000 0.000 50.000                              {NON}

assign (resid 6 and name H2'' and segid S1)
        (resid 8 and name H5 and segid L1)
        4.000 0.000 50.000                              {NON}

assign (resid 7 and name H5 and segid L1)
        (resid 9 and name H5 and segid L1)
        4.000 0.000 50.000                              {NON}

assign (resid 8 and name H1' and segid L1)
        (resid 9 and name H4' and segid L1)
        4.000 0.000 50.000                              {NON}

assign (resid 8 and name H2'' and segid L1)
        (resid 9 and name H4' and segid L1)
        4.000 0.000 50.000                              {NON}

assign (resid 8 and name H3' and segid L1)
        (resid 9 and name H2' and segid L1)
        4.000 0.000 50.000                              {NON}

assign (resid 8 and name H5' and segid L1)
        (resid 10 and name H8 and segid L1)
        4.000 0.000 50.000                              {NON}

assign (resid 8 and name H1' and segid L1)
        (resid 11 and name H2' and segid S2)
        4.000 0.000 50.000                              {NON}

assign (resid 9 and name H1' and segid L1)
        (resid 10 and name H8 and segid L1)
        4.000 0.000 50.000                              {NON}

assign (resid 10 and name H1' and segid L1)
        (resid 11 and name H1' and segid S2)
        4.000 0.000 50.000                              {NON}

assign (resid 10 and name H8 and segid L1)
        (resid 11 and name H1' and segid S2)
        4.000 0.000 50.000                              {NON}

assign (resid 6 and name H6 and segid S1)
        (resid 7 and name H6 and segid L1)
        3.500 0.000 50.000                              {NON}

assign (resid 8 and name H3' and segid L1)
        (resid 9 and name H5'' and segid L1)
        3.500 0.000 50.000                              {NON}

assign (resid 9 and name H4' and segid L1)
        (resid 10 and name H2' and segid L1)
        3.500 0.000 50.000                              {NON}

assign (resid 9 and name H4' and segid L1)
        (resid 10 and name H2'' and segid L1)
        3.500 0.000 50.000                              {NON}

assign (resid 9 and name H1' and segid L1)
        (resid 10 and name H2' and segid L1)
        3.500 0.000 50.000                              {NON}

assign (resid 10 and name H2'' and segid L1)
        (resid 11 and name H4' and segid S2)
        3.500 0.000 50.000                              {NON}



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Monday, April 29, 2024 12:57:31 PM GMT (wattos1)