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
27256 2ppz 15245 cing 1-original 1 XPLOR/CNS distance NOE simple



!
!AUREMOL MDRA Restraint File
!
assign (resid 2 and name H)  (resid 2 and name HA) 3.440000 0.580000 0.460000 
assign (resid 2 and name H)  (resid 2 and name HB3) 4.570000 2.580000 2.710000 
assign (resid 2 and name H)  (resid 2 and name HB2) 3.440000 0.560000 1.590000 
assign (resid 2 and name H)  (resid 2 and name QD1) 4.900000 2.910000 4.440000 
!assign (resid 2 and name HA)  (resid 3 and name H) 2.400000 0.160000 0.140000 
assign (resid 2 and name HB3)  (resid 2 and name HG) 2.370000 0.180000 0.720000 
assign (resid 2 and name HB2)  (resid 2 and name HG) 2.940000 0.900000 0.240000 
assign (resid 2 and name HB3)  (resid 3 and name H) 3.990000 0.940000 3.420000 
assign (resid 2 and name HB2)  (resid 3 and name H) 5.780000 4.130000 1.560000 
assign (resid 2 and name HB3)  (resid 7 and name H) 4.260000 1.170000 4.490000 
assign (resid 2 and name HB2)  (resid 7 and name H) 5.760000 4.110000 1.590000 
assign (resid 2 and name HB2)  (resid 7 and name HD*) 3.500000 1.850000 2.250000 
assign (resid 2 and name HG)  (resid 3 and name H) 3.230000 0.440000 0.340000 
assign (resid 2 and name HG)  (resid 7 and name H) 3.800000 0.800000 0.910000 
assign (resid 2 and name QD1)  (resid 3 and name H) 5.650000 2.520000 1.690000 
assign (resid 2 and name QD1)  (resid 7 and name H) 5.080000 1.960000 2.220000 
assign (resid 3 and name H)  (resid 3 and name HA) 2.820000 0.270000 0.220000 
!assign (resid 3 and name H)  (resid 3 and name HB2) 3.040000 0.360000 0.270000 
assign (resid 3 and name H)  (resid 3 and name HB3) 3.520000 0.580000 0.500000 
assign (resid 3 and name H)  (resid 4 and name H) 4.620000 2.410000 4.990000 
assign (resid 3 and name H)  (resid 6 and name H) 4.500000 1.400000 2.770000 
assign (resid 3 and name H)  (resid 6 and name HB2) 3.790000 0.770000 0.870000 
!assign (resid 3 and name H)  (resid 6 and name HB3) 3.170000 0.410000 0.320000 
assign (resid 3 and name H)  (resid 7 and name H) 5.120000 2.070000 2.190000 
assign (resid 3 and name HA)  (resid 4 and name H) 2.260000 0.150000 0.130000 
!assign (resid 3 and name HA)  (resid 6 and name H) 3.550000 0.610000 0.540000 
assign (resid 3 and name HB2)  (resid 3 and name HB3) 1.810000 0.100000 0.090000 
assign (resid 3 and name HB3)  (resid 4 and name H) 3.380000 0.510000 0.410000 
assign (resid 4 and name H)  (resid 4 and name HA) 2.700000 0.230000 0.190000 
assign (resid 4 and name H)  (resid 4 and name HB3) 3.610000 1.490000 0.590000 
assign (resid 4 and name H)  (resid 4 and name HB2) 2.760000 0.240000 1.040000 
assign (resid 4 and name H)  (resid 5 and name H) 2.690000 0.230000 0.190000 
assign (resid 4 and name H)  (resid 5 and name HB3) 6.300000 4.650000 1.710000 
assign (resid 4 and name H)  (resid 5 and name HB2) 4.970000 3.040000 5.630000 
assign (resid 4 and name HA)  (resid 4 and name HB3) 4.730000 2.600000 5.340000 
assign (resid 4 and name HA)  (resid 4 and name HB2) 5.300000 3.650000 3.670000 
!assign (resid 4 and name HA)  (resid 5 and name H) 2.880000 0.290000 0.230000 
assign (resid 4 and name HA)  (resid 6 and name H) 3.700000 0.740000 0.720000 
assign (resid 4 and name HB3)  (resid 5 and name H) 3.960000 2.160000 1.440000 
assign (resid 4 and name HB2)  (resid 5 and name H) 2.690000 0.230000 1.450000 
assign (resid 4 and name HB2)  (resid 7 and name H) 4.670000 3.020000 4.370000 
assign (resid 5 and name H)  (resid 5 and name HA) 2.870000 0.280000 0.220000 
assign (resid 5 and name H)  (resid 5 and name HB3) 3.590000 1.890000 0.550000 
assign (resid 5 and name H)  (resid 5 and name HB2) 2.320000 0.150000 1.400000 
assign (resid 5 and name H)  (resid 5 and name HG2) 3.330000 0.500000 0.390000 
assign (resid 5 and name H)  (resid 5 and name HG3) 4.390000 1.300000 2.870000 
assign (resid 5 and name H)  (resid 6 and name H) 2.540000 0.190000 0.170000 
assign (resid 5 and name H)  (resid 7 and name H) 4.260000 1.180000 3.000000 
assign (resid 5 and name H)  (resid 8 and name H) 4.960000 1.890000 2.350000 
assign (resid 5 and name HB3)  (resid 5 and name HG3) 3.880000 1.610000 1.090000 
assign (resid 5 and name HB2)  (resid 5 and name HG3) 2.470000 0.230000 0.150000 
assign (resid 5 and name HB3)  (resid 6 and name H) 3.440000 1.200000 0.430000 
assign (resid 5 and name HB2)  (resid 6 and name H) 2.770000 0.250000 0.860000 
assign (resid 6 and name H)  (resid 6 and name HB2) 2.550000 0.190000 0.160000 
assign (resid 6 and name H)  (resid 6 and name HB3) 2.730000 0.240000 0.200000 
!assign (resid 6 and name H)  (resid 7 and name H) 2.680000 0.220000 0.180000 
assign (resid 6 and name H)  (resid 7 and name HB2) 5.010000 3.110000 4.230000 
assign (resid 6 and name HA)  (resid 6 and name HB3) 5.260000 3.580000 3.750000 
assign (resid 6 and name HA)  (resid 7 and name H) 3.590000 0.650000 0.580000 
assign (resid 6 and name HA)  (resid 9 and name H) 3.810000 0.800000 0.930000 
assign (resid 6 and name HB2)  (resid 7 and name H) 3.990000 0.930000 1.640000 
!assign (resid 6 and name HB3)  (resid 7 and name H) 2.850000 0.290000 0.230000 
assign (resid 7 and name H)  (resid 7 and name HA) 2.920000 0.300000 0.240000 
assign (resid 7 and name H)  (resid 7 and name HB2) 2.540000 0.190000 0.160000 
assign (resid 7 and name H)  (resid 7 and name HB3) 2.700000 0.230000 0.180000 
assign (resid 7 and name H)  (resid 7 and name QD) 4.700000 1.570000 2.580000 
!assign (resid 7 and name H)  (resid 8 and name H) 2.500000 0.190000 0.170000 
assign (resid 7 and name HA)  (resid 7 and name QD) 3.200000 0.410000 0.330000 
assign (resid 7 and name HA)  (resid 8 and name H) 3.410000 0.550000 0.430000 
assign (resid 7 and name HA)  (resid 9 and name H) 4.750000 1.700000 2.540000 
assign (resid 7 and name HA)  (resid 10 and name H) 3.260000 0.470000 0.360000 
assign (resid 7 and name HA)  (resid 11 and name QD) 4.740000 1.610000 2.550000 
assign (resid 7 and name HB2)  (resid 7 and name HB3) 1.800000 0.100000 0.090000 
!assign (resid 7 and name HB2)  (resid 7 and name QD) 2.960000 0.310000 0.240000 
assign (resid 7 and name HB2)  (resid 8 and name H) 3.640000 0.660000 0.620000 
assign (resid 7 and name HB2)  (resid 9 and name H) 5.720000 2.690000 1.630000 
!assign (resid 7 and name HB3)  (resid 7 and name QD) 2.880000 0.280000 0.220000 
assign (resid 7 and name HB3)  (resid 8 and name H) 2.760000 0.260000 0.210000 
!assign (resid 7 and name QD)  (resid 7 and name QE) 2.780000 0.240000 0.190000 
assign (resid 7 and name QD)  (resid 8 and name H) 4.480000 1.370000 2.780000 
!assign (resid 7 and name QD)  (resid 8 and name HA) 3.930000 0.870000 1.290000 
assign (resid 7 and name QD)  (resid 9 and name HA) 4.240000 1.140000 3.020000 
assign (resid 7 and name QD)  (resid 11 and name HB3) 4.080000 1.540000 5.920000 
assign (resid 7 and name QD)  (resid 14 and name HA) 4.570000 1.440000 2.700000 
assign (resid 7 and name QD)  (resid 15 and name H) 4.030000 1.460000 4.940000 
assign (resid 7 and name QD)  (resid 15 and name HG2) 3.790000 1.140000 2.910000 
assign (resid 7 and name QE)  (resid 15 and name H) 4.680000 2.510000 4.880000 
assign (resid 7 and name QE)  (resid 15 and name HA) 5.190000 2.030000 2.120000 
assign (resid 7 and name QE)  (resid 15 and name HE) 4.370000 1.260000 2.890000 
assign (resid 7 and name QE)  (resid 18 and name H) 4.790000 1.670000 2.500000 
assign (resid 7 and name QE)  (resid 18 and name HB2) 5.230000 2.090000 2.080000 
assign (resid 7 and name QE)  (resid 18 and name HB3) 3.660000 0.680000 0.670000 
assign (resid 8 and name H)  (resid 8 and name HA) 2.820000 0.270000 0.220000 
assign (resid 8 and name H)  (resid 8 and name HB3) 2.250000 0.140000 1.420000 
assign (resid 8 and name H)  (resid 8 and name HB2) 3.540000 1.880000 0.510000 
assign (resid 8 and name H)  (resid 9 and name H) 2.740000 0.260000 0.200000 
!assign (resid 8 and name H)  (resid 14 and name HA) 3.070000 0.360000 0.280000 
assign (resid 8 and name HA)  (resid 8 and name HB3) 6.520000 4.250000 0.880000 
!assign (resid 8 and name HA)  (resid 8 and name HB2) 5.720000 2.620000 2.420000 
assign (resid 8 and name HA)  (resid 9 and name H) 3.520000 0.620000 0.520000 
!assign (resid 8 and name HA)  (resid 12 and name H) 2.800000 0.270000 0.220000 
assign (resid 8 and name HB3)  (resid 9 and name H) 3.870000 0.830000 1.400000 
assign (resid 8 and name HB2)  (resid 9 and name H) 4.200000 1.430000 3.050000 
assign (resid 9 and name H)  (resid 9 and name HA) 2.870000 0.290000 0.230000 
assign (resid 9 and name H)  (resid 9 and name QB) 2.880000 0.280000 0.220000 
assign (resid 9 and name H)  (resid 10 and name H) 2.690000 0.240000 0.190000 
assign (resid 9 and name H)  (resid 10 and name QG2) 6.120000 3.050000 1.250000 
assign (resid 9 and name H)  (resid 11 and name H) 4.130000 1.090000 3.120000 
!assign (resid 9 and name HA)  (resid 10 and name H) 3.100000 0.400000 0.290000 
assign (resid 9 and name QB)  (resid 10 and name QG1) 4.640000 1.990000 4.950000 
assign (resid 9 and name QB)  (resid 10 and name QG2) 4.180000 1.090000 3.060000 
assign (resid 10 and name H)  (resid 10 and name HA) 2.920000 0.300000 0.240000 
!assign (resid 10 and name H)  (resid 10 and name HB) 1.940000 0.110000 0.110000 
assign (resid 10 and name H)  (resid 10 and name QG1) 3.890000 1.270000 4.220000 
assign (resid 10 and name H)  (resid 10 and name QG2) 3.060000 0.350000 0.260000 
assign (resid 10 and name H)  (resid 11 and name HB3) 5.520000 2.440000 1.810000 
assign (resid 10 and name HA)  (resid 10 and name HB) 3.570000 0.650000 0.570000 
assign (resid 10 and name HA)  (resid 10 and name QG1) 3.940000 0.890000 1.340000 
assign (resid 10 and name HA)  (resid 10 and name QG2) 3.830000 0.810000 0.980000 
assign (resid 10 and name HA)  (resid 11 and name H) 3.560000 0.640000 0.560000 
assign (resid 10 and name HB)  (resid 10 and name QG1) 2.840000 0.260000 0.200000 
assign (resid 10 and name HB)  (resid 10 and name QG2) 2.840000 0.260000 0.200000 
assign (resid 10 and name HB)  (resid 11 and name H) 2.520000 0.200000 0.170000 
assign (resid 10 and name HB)  (resid 11 and name QD) 4.970000 1.820000 2.320000 
assign (resid 10 and name QG1)  (resid 10 and name QG2) 3.370000 0.480000 0.380000 
assign (resid 10 and name QG1)  (resid 11 and name H) 4.280000 1.180000 2.970000 
assign (resid 10 and name QG1)  (resid 11 and name HB2) 5.270000 3.600000 3.730000 
assign (resid 10 and name QG1)  (resid 11 and name QD) 5.430000 2.320000 1.900000 
assign (resid 10 and name QG1)  (resid 11 and name QE) 6.080000 2.970000 1.290000 
assign (resid 10 and name QG1)  (resid 11 and name HZ) 5.540000 2.450000 1.800000 
assign (resid 10 and name QG2)  (resid 11 and name H) 4.650000 1.520000 2.630000 
assign (resid 10 and name QG2)  (resid 11 and name HB2) 4.910000 2.930000 4.420000 
assign (resid 11 and name H)  (resid 11 and name HA) 2.940000 0.310000 0.240000 
!assign (resid 11 and name H)  (resid 11 and name HB2) 2.250000 0.150000 0.140000 
assign (resid 11 and name H)  (resid 11 and name HB3) 3.160000 0.390000 0.300000 
assign (resid 11 and name H)  (resid 11 and name QD) 4.160000 1.060000 3.080000 
assign (resid 11 and name H)  (resid 11 and name QE) 6.560000 3.540000 0.830000 
assign (resid 11 and name H)  (resid 12 and name H) 2.510000 0.180000 0.160000 
assign (resid 11 and name HA)  (resid 11 and name HB2) 4.710000 2.560000 4.820000 
!assign (resid 11 and name HA)  (resid 11 and name QD) 3.430000 0.540000 0.440000 
!assign (resid 11 and name HA)  (resid 12 and name H) 3.140000 0.380000 0.300000 
assign (resid 11 and name HB2)  (resid 11 and name HB3) 1.800000 0.100000 0.090000 
assign (resid 11 and name HB2)  (resid 11 and name QD) 3.270000 0.450000 0.350000 
assign (resid 11 and name HB2)  (resid 12 and name H) 3.450000 0.560000 0.460000 
assign (resid 11 and name HB2)  (resid 13 and name H) 4.490000 1.380000 2.780000 
!assign (resid 11 and name HB3)  (resid 11 and name QD) 3.130000 0.380000 0.300000 
assign (resid 11 and name HB3)  (resid 11 and name QE) 4.720000 2.580000 4.800000 
!assign (resid 11 and name QD)  (resid 11 and name QE) 2.780000 0.240000 0.190000 
assign (resid 11 and name QD)  (resid 11 and name HZ) 4.300000 1.160000 2.920000 
assign (resid 11 and name QD)  (resid 13 and name H) 5.000000 3.100000 4.240000 
assign (resid 11 and name QD)  (resid 14 and name H) 6.340000 3.360000 1.050000 
assign (resid 11 and name QD)  (resid 15 and name HE) 5.140000 1.990000 2.170000 
assign (resid 11 and name QE)  (resid 11 and name HZ) 2.480000 0.170000 0.140000 
assign (resid 11 and name QE)  (resid 15 and name HE) 3.970000 0.910000 1.490000 
assign (resid 11 and name QE)  (resid 17 and name QB) 5.280000 2.130000 2.030000 
assign (resid 11 and name QE)  (resid 29 and name HB3) 4.050000 0.990000 2.330000 
assign (resid 11 and name QE)  (resid 29 and name QD2) 6.740000 3.710000 0.670000 
assign (resid 11 and name QE)  (resid 30 and name H) 5.420000 2.330000 1.900000 
assign (resid 11 and name QE)  (resid 30 and name HA) 4.000000 0.930000 1.710000 
assign (resid 11 and name HZ)  (resid 19 and name QB) 4.620000 1.490000 2.650000 
!assign (resid 11 and name HZ)  (resid 21 and name HB3) 3.210000 0.430000 0.330000 
assign (resid 11 and name HZ)  (resid 21 and name QD2) 4.620000 1.500000 2.650000 
assign (resid 11 and name HZ)  (resid 30 and name H) 5.290000 3.630000 3.690000 
!assign (resid 11 and name HZ)  (resid 30 and name HA) 3.530000 0.590000 0.520000 
!assign (resid 12 and name H)  (resid 12 and name HA2) 2.600000 0.200000 0.170000 
assign (resid 12 and name H)  (resid 12 and name HA3) 2.510000 0.190000 0.160000 
!assign (resid 12 and name H)  (resid 13 and name H) 2.520000 0.180000 0.150000 
assign (resid 12 and name HA2)  (resid 12 and name HA3) 1.790000 0.090000 0.090000 
assign (resid 12 and name HA2)  (resid 13 and name HB3) 4.400000 1.340000 2.870000 
assign (resid 12 and name HA3)  (resid 13 and name H) 4.050000 0.980000 2.240000 
assign (resid 13 and name H)  (resid 13 and name HA) 3.030000 0.350000 0.270000 
assign (resid 13 and name H)  (resid 13 and name HB2) 3.510000 0.580000 0.510000 
assign (resid 13 and name H)  (resid 13 and name HB3) 2.730000 0.250000 0.200000 
assign (resid 13 and name H)  (resid 13 and name HG3) 4.550000 2.270000 2.720000 
assign (resid 13 and name H)  (resid 13 and name HG2) 3.700000 0.720000 1.570000 
assign (resid 13 and name HA)  (resid 14 and name H) 2.490000 0.180000 0.150000 
assign (resid 13 and name HB2)  (resid 13 and name HB3) 1.810000 0.100000 0.090000 
assign (resid 13 and name HB2)  (resid 13 and name HG3) 2.440000 0.170000 0.740000 
assign (resid 13 and name HB2)  (resid 13 and name HG2) 3.030000 0.920000 0.250000 
!assign (resid 13 and name HB2)  (resid 14 and name H) 3.250000 0.430000 0.340000 
assign (resid 13 and name HB3)  (resid 13 and name HG3) 3.450000 1.190000 0.450000 
!assign (resid 13 and name HB3)  (resid 13 and name HG2) 2.800000 0.260000 0.850000 
assign (resid 13 and name HB3)  (resid 18 and name HB3) 3.910000 0.910000 1.210000 
assign (resid 13 and name HG2)  (resid 14 and name H) 3.010000 1.360000 2.020000 
assign (resid 14 and name H)  (resid 14 and name HA) 2.730000 0.240000 0.200000 
assign (resid 14 and name H)  (resid 17 and name QB) 3.690000 0.700000 0.700000 
assign (resid 14 and name HA)  (resid 15 and name H) 2.150000 0.130000 0.120000 
assign (resid 15 and name H)  (resid 15 and name HA) 2.820000 0.270000 0.220000 
assign (resid 15 and name H)  (resid 15 and name HB2) 3.540000 0.610000 0.530000 
assign (resid 15 and name H)  (resid 15 and name HB3) 2.200000 0.140000 0.130000 
assign (resid 15 and name H)  (resid 15 and name HG2) 3.480000 0.560000 0.480000 
assign (resid 15 and name H)  (resid 15 and name HG3) 4.160000 1.660000 5.880000 
assign (resid 15 and name H)  (resid 16 and name H) 2.810000 0.270000 0.220000 
!assign (resid 15 and name HA)  (resid 15 and name HB2) 2.900000 0.310000 0.240000 
assign (resid 15 and name HA)  (resid 15 and name HB3) 2.950000 0.330000 0.250000 
assign (resid 15 and name HA)  (resid 15 and name HG3) 3.640000 0.680000 0.640000 
assign (resid 15 and name HA)  (resid 15 and name HE) 4.320000 1.230000 2.940000 
assign (resid 15 and name HA)  (resid 16 and name H) 3.530000 0.620000 0.520000 
assign (resid 15 and name HA)  (resid 18 and name H) 3.490000 0.580000 0.490000 
assign (resid 15 and name HB2)  (resid 15 and name HG2) 2.780000 0.280000 0.210000 
assign (resid 15 and name HB2)  (resid 15 and name HD2) 3.560000 0.630000 0.560000 
!assign (resid 15 and name HB2)  (resid 15 and name HD3) 2.620000 0.220000 0.190000 
!assign (resid 15 and name HB2)  (resid 15 and name HE) 4.340000 1.940000 5.540000 
assign (resid 15 and name HB3)  (resid 15 and name HG2) 2.240000 0.150000 0.140000 
assign (resid 15 and name HB3)  (resid 15 and name HD3) 3.970000 0.930000 1.490000 
assign (resid 15 and name HB3)  (resid 16 and name H) 3.510000 0.590000 0.510000 
assign (resid 15 and name HG2)  (resid 15 and name HG3) 1.810000 0.100000 0.090000 
assign (resid 15 and name HG2)  (resid 15 and name HD2) 4.500000 2.210000 5.220000 
assign (resid 15 and name HG2)  (resid 15 and name HD3) 4.480000 2.160000 5.270000 
assign (resid 15 and name HG2)  (resid 16 and name H) 6.310000 3.260000 1.080000 
assign (resid 15 and name HG2)  (resid 16 and name HB3) 6.080000 4.430000 2.150000 
assign (resid 15 and name HG2)  (resid 16 and name HB2) 4.850000 2.810000 5.770000 
!assign (resid 15 and name HG3)  (resid 15 and name HD2) 3.190000 0.420000 0.320000 
!assign (resid 15 and name HG3)  (resid 15 and name HD3) 2.920000 0.310000 0.240000 
assign (resid 15 and name HG3)  (resid 15 and name HE) 4.010000 1.430000 4.750000 
!assign (resid 15 and name HG3)  (resid 16 and name H) 4.770000 2.670000 4.700000 
assign (resid 15 and name HD2)  (resid 15 and name HD3) 1.810000 0.100000 0.090000 
assign (resid 15 and name HD2)  (resid 15 and name HE) 2.880000 0.280000 0.220000 
!assign (resid 15 and name HD3)  (resid 15 and name HE) 2.740000 0.240000 0.200000 
!assign (resid 16 and name H)  (resid 16 and name HB3) 3.140000 1.110000 0.290000 
!assign (resid 16 and name H)  (resid 16 and name HB2) 2.410000 0.170000 0.880000 
assign (resid 16 and name HA)  (resid 16 and name HB3) 4.610000 1.980000 2.670000 
!assign (resid 16 and name HA)  (resid 16 and name HB2) 4.110000 1.040000 6.730000 
!assign (resid 16 and name HA)  (resid 17 and name H) 2.980000 0.320000 0.250000 
!assign (resid 16 and name HA)  (resid 19 and name H) 3.210000 0.440000 0.330000 
assign (resid 16 and name HB3)  (resid 17 and name H) 2.670000 0.220000 1.230000 
assign (resid 16 and name HB2)  (resid 17 and name H) 3.710000 1.750000 0.720000 
assign (resid 17 and name H)  (resid 17 and name QB) 2.890000 0.280000 0.220000 
assign (resid 17 and name H)  (resid 18 and name H) 2.700000 0.230000 0.190000 
!assign (resid 17 and name HA)  (resid 18 and name H) 3.030000 0.340000 0.260000 
assign (resid 17 and name HA)  (resid 18 and name QD) 3.890000 0.840000 1.140000 
assign (resid 17 and name QB)  (resid 18 and name H) 3.120000 0.380000 0.290000 
assign (resid 17 and name QB)  (resid 18 and name HA) 4.690000 1.550000 2.590000 
assign (resid 17 and name QB)  (resid 18 and name HB3) 5.870000 2.740000 1.480000 
!assign (resid 18 and name H)  (resid 18 and name HB2) 2.260000 0.150000 0.130000 
!assign (resid 18 and name H)  (resid 18 and name HB3) 2.480000 0.180000 0.150000 
assign (resid 18 and name H)  (resid 18 and name QD) 4.110000 1.020000 5.990000 
assign (resid 18 and name H)  (resid 19 and name H) 2.630000 0.220000 0.180000 
assign (resid 18 and name H)  (resid 20 and name H) 4.000000 0.970000 1.700000 
assign (resid 18 and name HA)  (resid 18 and name HB2) 4.290000 1.850000 5.640000 
assign (resid 18 and name HA)  (resid 18 and name HB3) 4.240000 1.780000 5.730000 
assign (resid 18 and name HA)  (resid 21 and name HB2) 3.400000 0.530000 0.430000 
assign (resid 18 and name HB2)  (resid 18 and name HB3) 1.800000 0.100000 0.090000 
assign (resid 18 and name HB2)  (resid 18 and name QD) 2.970000 0.310000 0.240000 
!assign (resid 18 and name HB2)  (resid 19 and name H) 2.540000 0.200000 0.170000 
!assign (resid 18 and name HB3)  (resid 18 and name QD) 2.830000 0.270000 0.210000 
assign (resid 18 and name QD)  (resid 19 and name H) 4.910000 1.770000 2.380000 
assign (resid 18 and name QD)  (resid 19 and name HA) 5.370000 2.230000 1.950000 
assign (resid 18 and name QD)  (resid 19 and name QB) 5.040000 1.890000 2.260000 
assign (resid 19 and name H)  (resid 19 and name HA) 2.810000 0.270000 0.220000 
assign (resid 19 and name H)  (resid 19 and name QB) 2.870000 0.270000 0.210000 
assign (resid 19 and name H)  (resid 20 and name HB3) 6.350000 3.320000 1.040000 
assign (resid 19 and name H)  (resid 20 and name HD22) 4.380000 1.310000 2.890000 
assign (resid 19 and name HA)  (resid 19 and name QB) 3.570000 0.620000 0.560000 
assign (resid 19 and name HA)  (resid 20 and name H) 3.460000 0.580000 0.470000 
assign (resid 19 and name HA)  (resid 21 and name H) 3.890000 0.900000 1.170000 
assign (resid 19 and name HA)  (resid 26 and name HE21) 4.770000 1.630000 2.520000 
assign (resid 19 and name HA)  (resid 26 and name HE22) 4.010000 0.950000 1.780000 
assign (resid 19 and name QB)  (resid 20 and name H) 3.790000 0.780000 0.890000 
assign (resid 19 and name QB)  (resid 21 and name H) 5.260000 2.140000 2.060000 
assign (resid 19 and name QB)  (resid 26 and name HE21) 6.870000 3.870000 0.550000 
assign (resid 19 and name QB)  (resid 26 and name HE22) 5.870000 2.810000 1.490000 
assign (resid 20 and name H)  (resid 20 and name HA) 3.230000 0.450000 0.340000 
assign (resid 20 and name H)  (resid 20 and name HB2) 2.410000 0.170000 0.160000 
assign (resid 20 and name H)  (resid 20 and name HB3) 3.570000 0.610000 0.540000 
assign (resid 20 and name H)  (resid 20 and name HD22) 4.310000 1.210000 2.950000 
assign (resid 20 and name HA)  (resid 21 and name H) 3.490000 0.590000 0.490000 
assign (resid 20 and name HB2)  (resid 20 and name HB3) 1.810000 0.100000 0.090000 
assign (resid 20 and name HB2)  (resid 20 and name HD21) 4.400000 2.030000 5.420000 
assign (resid 20 and name HB2)  (resid 20 and name HD22) 4.380000 2.000000 5.460000 
assign (resid 20 and name HB2)  (resid 21 and name H) 5.540000 2.450000 1.790000 
assign (resid 20 and name HB3)  (resid 20 and name HD21) 3.840000 1.210000 4.120000 
assign (resid 20 and name HB3)  (resid 20 and name HD22) 3.930000 0.890000 1.310000 
assign (resid 20 and name HB3)  (resid 21 and name H) 3.720000 0.750000 0.750000 
assign (resid 20 and name HD21)  (resid 20 and name HD22) 1.760000 0.090000 0.090000 
assign (resid 21 and name H)  (resid 21 and name HA) 2.950000 0.310000 0.250000 
!assign (resid 21 and name H)  (resid 21 and name HB2) 2.120000 0.130000 0.120000 
assign (resid 21 and name H)  (resid 21 and name HB3) 3.090000 0.360000 0.270000 
assign (resid 21 and name H)  (resid 21 and name QD1) 5.240000 2.100000 2.070000 
assign (resid 21 and name H)  (resid 21 and name QD2) 4.410000 1.290000 2.850000 
assign (resid 21 and name HB2)  (resid 21 and name QD1) 3.470000 0.540000 0.450000 
!assign (resid 21 and name HB3)  (resid 21 and name QD1) 3.030000 0.350000 0.270000 
!assign (resid 21 and name HB3)  (resid 21 and name QD2) 2.340000 0.160000 0.140000 
!assign (resid 21 and name HB3)  (resid 26 and name H) 3.610000 0.670000 0.610000 
assign (resid 21 and name HB3)  (resid 26 and name HE22) 5.500000 2.400000 1.830000 
assign (resid 22 and name HA)  (resid 23 and name H) 2.200000 0.140000 0.120000 
assign (resid 22 and name HA)  (resid 23 and name HA) 4.970000 3.030000 4.310000 
!assign (resid 22 and name HA)  (resid 24 and name HE1) 5.040000 1.950000 2.270000 
assign (resid 23 and name H)  (resid 23 and name HA) 2.750000 0.240000 0.200000 
!assign (resid 23 and name H)  (resid 23 and name HB2) 2.520000 0.190000 0.150000 
assign (resid 23 and name H)  (resid 24 and name H) 2.910000 0.300000 0.240000 
assign (resid 23 and name H)  (resid 24 and name HB3) 6.360000 3.350000 1.030000 
assign (resid 23 and name H)  (resid 24 and name HD1) 4.410000 1.310000 2.860000 
assign (resid 23 and name HA)  (resid 23 and name HB2) 3.130000 0.390000 0.300000 
assign (resid 23 and name HA)  (resid 24 and name H) 3.540000 0.620000 0.540000 
assign (resid 23 and name HA)  (resid 24 and name HD1) 5.210000 2.160000 2.100000 
assign (resid 23 and name HA)  (resid 26 and name HB3) 4.320000 1.900000 5.580000 
assign (resid 23 and name HA)  (resid 26 and name HG3) 4.280000 2.630000 7.420000 
assign (resid 23 and name HA)  (resid 26 and name HE22) 4.710000 1.600000 2.580000 
assign (resid 23 and name HB2)  (resid 24 and name H) 3.260000 0.430000 0.340000 
assign (resid 23 and name HB2)  (resid 24 and name HD1) 5.090000 1.980000 2.220000 
assign (resid 24 and name H)  (resid 24 and name HA) 2.860000 0.280000 0.220000 
!assign (resid 24 and name H)  (resid 24 and name HB2) 2.380000 0.170000 0.150000 
assign (resid 24 and name H)  (resid 24 and name HB3) 3.520000 0.570000 0.490000 
!assign (resid 24 and name H)  (resid 24 and name HD1) 2.920000 0.290000 0.220000 
assign (resid 24 and name H)  (resid 24 and name HE1) 5.580000 2.480000 1.760000 
assign (resid 24 and name H)  (resid 25 and name H) 2.760000 0.250000 0.200000 
!assign (resid 24 and name HA)  (resid 24 and name HB2) 4.520000 1.430000 2.750000 
!assign (resid 24 and name HA)  (resid 24 and name HB3) 4.090000 1.050000 3.920000 
assign (resid 24 and name HA)  (resid 24 and name HD1) 3.900000 0.880000 1.170000 
assign (resid 24 and name HA)  (resid 24 and name HE3) 3.560000 0.640000 0.560000 
assign (resid 24 and name HA)  (resid 25 and name H) 4.750000 1.680000 2.540000 
assign (resid 24 and name HA)  (resid 27 and name H) 3.710000 0.730000 0.740000 
assign (resid 24 and name HB2)  (resid 24 and name HB3) 1.800000 0.100000 0.090000 
!assign (resid 24 and name HB2)  (resid 24 and name HD1) 2.900000 0.300000 0.240000 
!assign (resid 24 and name HB2)  (resid 24 and name HE3) 3.400000 0.510000 0.410000 
assign (resid 24 and name HB2)  (resid 25 and name H) 4.540000 2.280000 5.140000 
assign (resid 24 and name HB3)  (resid 24 and name HD1) 3.810000 0.780000 0.920000 
assign (resid 24 and name HB3)  (resid 24 and name HE1) 5.250000 2.160000 2.060000 
!assign (resid 24 and name HB3)  (resid 24 and name HE3) 3.180000 0.430000 0.320000 
assign (resid 24 and name HB3)  (resid 26 and name H) 5.000000 1.920000 2.300000 
assign (resid 24 and name HD1)  (resid 24 and name HE1) 2.600000 0.200000 0.160000 
assign (resid 24 and name HD1)  (resid 25 and name H) 5.210000 2.120000 2.100000 
assign (resid 24 and name HE3)  (resid 24 and name HZ3) 2.410000 0.160000 0.140000 
assign (resid 24 and name HE3)  (resid 25 and name H) 4.550000 1.450000 2.730000 
!assign (resid 24 and name HE3)  (resid 25 and name HA) 3.520000 0.590000 0.520000 
!assign (resid 25 and name H)  (resid 25 and name HA) 4.150000 1.120000 3.100000 
assign (resid 25 and name H)  (resid 25 and name HB3) 3.870000 1.240000 4.170000 
assign (resid 25 and name H)  (resid 25 and name HG3) 4.550000 1.430000 2.720000 
assign (resid 25 and name H)  (resid 26 and name H) 2.440000 0.180000 0.150000 
assign (resid 25 and name H)  (resid 27 and name H) 4.350000 1.260000 2.920000 
assign (resid 25 and name HA)  (resid 25 and name HB2) 4.670000 2.490000 4.900000 
assign (resid 25 and name HA)  (resid 25 and name HB3) 3.510000 0.600000 0.510000 
assign (resid 25 and name HA)  (resid 25 and name HG3) 3.880000 1.260000 4.200000 
assign (resid 25 and name HA)  (resid 26 and name H) 3.500000 0.590000 0.500000 
assign (resid 25 and name HA)  (resid 28 and name H) 3.530000 0.600000 0.520000 
assign (resid 25 and name HA)  (resid 28 and name HB2) 4.410000 2.760000 4.620000 
assign (resid 25 and name HA)  (resid 29 and name H) 5.010000 1.910000 2.290000 
!assign (resid 25 and name HB2)  (resid 25 and name HG2) 3.380000 0.690000 0.750000 
assign (resid 25 and name HB3)  (resid 25 and name HG2) 2.980000 0.330000 0.260000 
!assign (resid 25 and name HB3)  (resid 25 and name HG3) 2.350000 0.150000 0.130000 
assign (resid 25 and name HB3)  (resid 26 and name H) 3.050000 0.350000 0.270000 
assign (resid 25 and name HG2)  (resid 25 and name HG3) 1.810000 0.100000 0.090000 
assign (resid 25 and name HG3)  (resid 26 and name H) 5.110000 1.970000 2.200000 
!assign (resid 25 and name HD3)  (resid 26 and name H) 3.900000 0.920000 1.160000 
assign (resid 25 and name HD2)  (resid 26 and name H) 3.830000 0.800000 1.030000 
assign (resid 25 and name HD3)  (resid 26 and name HA) 4.240000 1.130000 3.240000 
assign (resid 25 and name HD2)  (resid 26 and name HA) 4.470000 1.570000 2.790000 
assign (resid 25 and name HD2)  (resid 28 and name HB2) 4.480000 2.830000 4.550000 
assign (resid 26 and name H)  (resid 26 and name HA) 2.810000 0.270000 0.220000 
!assign (resid 26 and name H)  (resid 26 and name HB2) 2.240000 0.150000 0.140000 
assign (resid 26 and name H)  (resid 26 and name HB3) 3.340000 0.480000 0.380000 
assign (resid 26 and name H)  (resid 26 and name HG3) 3.590000 0.630000 1.140000 
assign (resid 26 and name H)  (resid 26 and name HG2) 4.160000 1.630000 3.080000 
assign (resid 26 and name HA)  (resid 26 and name HB2) 2.870000 0.290000 0.230000 
!assign (resid 26 and name HA)  (resid 26 and name HB3) 3.420000 0.540000 0.440000 
assign (resid 26 and name HA)  (resid 26 and name HG3) 4.610000 2.590000 2.660000 
!assign (resid 26 and name HA)  (resid 26 and name HG2) 3.500000 0.590000 1.610000 
assign (resid 26 and name HA)  (resid 27 and name H) 3.510000 0.600000 0.510000 
assign (resid 26 and name HA)  (resid 29 and name H) 3.410000 0.550000 0.440000 
assign (resid 26 and name HA)  (resid 29 and name HB2) 4.700000 2.550000 4.830000 
!assign (resid 26 and name HA)  (resid 30 and name H) 3.820000 0.850000 0.960000 
assign (resid 26 and name HB2)  (resid 26 and name HE22) 4.870000 1.780000 2.420000 
!assign (resid 26 and name HB2)  (resid 27 and name H) 2.910000 0.290000 0.230000 
assign (resid 26 and name HB3)  (resid 26 and name HG3) 2.990000 0.650000 0.250000 
!assign (resid 26 and name HB3)  (resid 26 and name HG2) 2.660000 0.220000 0.510000 
assign (resid 26 and name HB3)  (resid 26 and name HE21) 3.220000 0.440000 0.340000 
assign (resid 26 and name HB3)  (resid 26 and name HE22) 3.880000 0.840000 1.110000 
assign (resid 26 and name HB3)  (resid 27 and name H) 3.410000 0.530000 0.430000 
assign (resid 26 and name HG2)  (resid 30 and name H) 2.920000 1.270000 2.000000 
assign (resid 26 and name HE21)  (resid 26 and name HE22) 1.750000 0.090000 0.090000 
!assign (resid 27 and name H)  (resid 27 and name HB2) 3.630000 0.650000 0.610000 
!assign (resid 27 and name H)  (resid 27 and name HG2) 3.100000 0.370000 0.290000 
!assign (resid 27 and name H)  (resid 27 and name HG3) 2.520000 0.200000 0.170000 
assign (resid 27 and name H)  (resid 28 and name H) 2.680000 0.220000 0.180000 
assign (resid 27 and name H)  (resid 28 and name HB2) 4.400000 2.750000 4.620000 
assign (resid 27 and name HA)  (resid 28 and name H) 3.310000 0.480000 0.380000 
assign (resid 27 and name HB2)  (resid 27 and name HG2) 3.410000 0.730000 0.820000 
assign (resid 27 and name HB2)  (resid 27 and name HG3) 2.480000 0.190000 0.160000 
assign (resid 27 and name HB2)  (resid 28 and name H) 3.090000 0.360000 0.280000 
assign (resid 27 and name HG2)  (resid 27 and name HG3) 1.810000 0.100000 0.090000 
assign (resid 27 and name HG2)  (resid 27 and name HE22) 4.480000 2.170000 5.260000 
assign (resid 27 and name HG2)  (resid 28 and name H) 5.310000 2.190000 2.010000 
assign (resid 27 and name HG3)  (resid 27 and name HE22) 4.200000 1.720000 5.810000 
!assign (resid 27 and name HG3)  (resid 28 and name H) 3.430000 0.570000 0.450000 
assign (resid 27 and name HE21)  (resid 27 and name HE22) 1.750000 0.090000 0.090000 
assign (resid 28 and name H)  (resid 28 and name HA) 2.920000 0.300000 0.240000 
assign (resid 28 and name H)  (resid 28 and name HB3) 2.510000 0.190000 0.380000 
assign (resid 28 and name H)  (resid 28 and name HB2) 2.730000 0.450000 0.190000 
!assign (resid 28 and name H)  (resid 29 and name H) 2.370000 0.160000 0.140000 
assign (resid 28 and name HA)  (resid 28 and name HB3) 5.310000 3.680000 3.970000 
assign (resid 28 and name HA)  (resid 28 and name HB2) 5.640000 3.990000 3.000000 
assign (resid 28 and name HA)  (resid 29 and name H) 3.600000 0.650000 0.590000 
assign (resid 28 and name HA)  (resid 30 and name H) 4.570000 1.500000 2.710000 
assign (resid 29 and name H)  (resid 29 and name HA) 2.820000 0.270000 0.210000 
assign (resid 29 and name H)  (resid 29 and name HB2) 2.090000 0.130000 0.120000 
assign (resid 29 and name H)  (resid 29 and name HB3) 3.390000 0.700000 0.770000 
assign (resid 29 and name H)  (resid 29 and name HG) 3.270000 0.440000 0.350000 
assign (resid 29 and name H)  (resid 29 and name QD1) 4.620000 1.500000 2.660000 
assign (resid 29 and name H)  (resid 29 and name QD2) 5.640000 2.530000 1.700000 
!assign (resid 29 and name H)  (resid 30 and name H) 2.680000 0.240000 0.190000 
!assign (resid 29 and name H)  (resid 32 and name H) 3.610000 0.670000 0.610000 
assign (resid 29 and name HA)  (resid 29 and name HB2) 4.390000 2.020000 5.440000 
assign (resid 29 and name HA)  (resid 29 and name HB3) 4.460000 2.140000 5.290000 
assign (resid 29 and name HA)  (resid 29 and name QD2) 4.420000 2.070000 5.380000 
assign (resid 29 and name HA)  (resid 30 and name H) 3.470000 0.560000 0.480000 
assign (resid 29 and name HB2)  (resid 29 and name HB3) 1.810000 0.100000 0.090000 
!assign (resid 29 and name HB2)  (resid 29 and name HG) 2.990000 0.330000 0.260000 
assign (resid 29 and name HB2)  (resid 29 and name QD1) 3.550000 0.630000 0.540000 
assign (resid 29 and name HB2)  (resid 29 and name QD2) 3.920000 1.310000 4.290000 
assign (resid 29 and name HB2)  (resid 30 and name H) 3.240000 0.440000 0.340000 
assign (resid 29 and name HB3)  (resid 29 and name QD2) 2.990000 0.330000 0.260000 
assign (resid 29 and name HB3)  (resid 30 and name H) 3.010000 0.340000 0.270000 
assign (resid 29 and name HG)  (resid 29 and name QD2) 2.840000 0.260000 0.200000 
assign (resid 29 and name QD1)  (resid 29 and name QD2) 3.370000 0.480000 0.380000 
assign (resid 29 and name QD1)  (resid 30 and name H) 6.700000 3.700000 0.710000 
assign (resid 29 and name QD2)  (resid 30 and name H) 4.970000 3.040000 4.300000 
assign (resid 29 and name QD2)  (resid 30 and name HB3) 6.100000 4.110000 2.720000 
assign (resid 29 and name QD2)  (resid 30 and name HB2) 6.710000 4.310000 0.690000 
assign (resid 30 and name H)  (resid 30 and name HA) 2.840000 0.270000 0.220000 
!assign (resid 30 and name H)  (resid 30 and name HB3) 3.670000 0.700000 0.730000 
!assign (resid 30 and name H)  (resid 30 and name HB2) 3.720000 0.790000 0.760000 
assign (resid 30 and name H)  (resid 30 and name HG3) 4.470000 1.350000 2.870000 
assign (resid 30 and name H)  (resid 30 and name HG2) 4.540000 1.480000 2.730000 
assign (resid 30 and name H)  (resid 31 and name H) 2.700000 0.230000 0.190000 
assign (resid 30 and name H)  (resid 31 and name HB3) 5.510000 2.440000 1.830000 
assign (resid 30 and name H)  (resid 32 and name H) 3.530000 0.610000 0.530000 
assign (resid 30 and name H)  (resid 33 and name H) 4.570000 1.500000 2.700000 
assign (resid 30 and name HA)  (resid 30 and name HG3) 4.370000 2.080000 5.480000 
assign (resid 30 and name HA)  (resid 30 and name HG2) 4.270000 1.830000 5.770000 
assign (resid 30 and name HB3)  (resid 30 and name HG3) 3.000000 1.040000 0.240000 
assign (resid 30 and name HB3)  (resid 30 and name HG2) 2.280000 0.150000 0.850000 
assign (resid 30 and name HB2)  (resid 30 and name HG3) 2.700000 0.220000 0.450000 
assign (resid 30 and name HB2)  (resid 30 and name HG2) 2.970000 0.570000 0.230000 
assign (resid 30 and name HG3)  (resid 31 and name H) 3.800000 1.220000 0.900000 
assign (resid 30 and name HG2)  (resid 31 and name H) 3.390000 0.540000 0.830000 
!assign (resid 30 and name HG3)  (resid 35 and name H) 3.130000 0.390000 0.940000 
assign (resid 30 and name HG2)  (resid 35 and name H) 3.770000 1.410000 0.840000 
assign (resid 31 and name H)  (resid 31 and name HA) 2.910000 0.290000 0.230000 
assign (resid 31 and name H)  (resid 31 and name HB2) 4.090000 1.550000 6.240000 
assign (resid 31 and name H)  (resid 31 and name HB3) 2.860000 0.280000 0.230000 
assign (resid 31 and name H)  (resid 32 and name H) 2.360000 0.180000 0.150000 
assign (resid 31 and name H)  (resid 32 and name HB3) 4.780000 1.660000 2.510000 
assign (resid 31 and name H)  (resid 32 and name HG3) 6.760000 3.730000 0.790000 
assign (resid 31 and name H)  (resid 32 and name HG2) 6.900000 4.020000 0.520000 
!assign (resid 31 and name HA)  (resid 32 and name H) 2.710000 0.230000 0.180000 
assign (resid 31 and name HA)  (resid 32 and name HB2) 5.800000 2.720000 1.550000 
!assign (resid 31 and name HA)  (resid 33 and name H) 3.410000 0.540000 0.440000 
assign (resid 32 and name H)  (resid 32 and name HB3) 2.470000 0.180000 0.150000 
assign (resid 32 and name H)  (resid 32 and name HG3) 4.410000 1.290000 3.050000 
assign (resid 32 and name H)  (resid 32 and name HG2) 4.610000 1.670000 2.660000 
assign (resid 32 and name H)  (resid 33 and name H) 2.720000 0.230000 0.190000 
!assign (resid 33 and name H)  (resid 33 and name HA) 2.590000 0.200000 0.160000 
assign (resid 33 and name H)  (resid 33 and name HB3) 3.750000 1.990000 0.790000 
assign (resid 33 and name H)  (resid 33 and name HB2) 2.490000 0.180000 1.420000 
!assign (resid 33 and name H)  (resid 33 and name HD3) 2.690000 0.220000 1.780000 
assign (resid 33 and name H)  (resid 33 and name HD2) 4.290000 2.640000 2.940000 
!assign (resid 33 and name HB3)  (resid 33 and name HD3) 2.930000 0.300000 0.600000 
!assign (resid 33 and name HB3)  (resid 33 and name HD2) 3.300000 0.820000 0.350000 
assign (resid 33 and name HB2)  (resid 33 and name HD3) 2.210000 0.140000 0.760000 
assign (resid 33 and name HB2)  (resid 33 and name HD2) 2.840000 0.900000 0.210000 
assign (resid 33 and name HB3)  (resid 34 and name H) 2.970000 0.320000 2.110000 
assign (resid 33 and name HB2)  (resid 34 and name H) 4.830000 3.180000 2.460000 
assign (resid 33 and name HB3)  (resid 34 and name QD2) 3.210000 0.430000 1.220000 
assign (resid 33 and name HB2)  (resid 34 and name QD2) 4.100000 1.910000 4.400000 
!assign (resid 33 and name HG3)  (resid 33 and name HD3) 2.510000 0.300000 0.170000 
assign (resid 33 and name HG3)  (resid 33 and name HD2) 2.420000 0.190000 0.250000 
assign (resid 33 and name HG2)  (resid 33 and name HD3) 3.080000 0.940000 0.280000 
assign (resid 33 and name HG2)  (resid 33 and name HD2) 2.520000 0.210000 0.730000 
assign (resid 33 and name HG3)  (resid 34 and name HA) 4.820000 1.690000 2.920000 
assign (resid 33 and name HG2)  (resid 34 and name HA) 5.270000 2.580000 2.050000 
assign (resid 34 and name H)  (resid 34 and name HA) 2.900000 0.280000 0.220000 
!assign (resid 34 and name H)  (resid 34 and name HG) 2.910000 0.290000 0.230000 
assign (resid 34 and name H)  (resid 34 and name QD2) 4.180000 1.690000 5.850000 
assign (resid 34 and name HG)  (resid 34 and name QD2) 2.840000 0.260000 0.200000 
assign (resid 35 and name H)  (resid 35 and name QD2) 4.520000 1.390000 2.750000 



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