NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
618691 | 5kqj | 30133 | cing | 3-converted-DOCR | XPLOR/CNS | distance | general distance | ambi |
assi ( segid " A" and resid 1 and name HT# ) (( segid " A" and resid 2 and name HN )) 5.410 3.610 0.000 assi ( segid " A" and resid 1 and name HE# ) (( segid " A" and resid 2 and name HN )) 4.570 2.770 0.000 assi (( segid " A" and resid 1 and name HB2 )) (( segid " A" and resid 2 and name HN )) 5.130 3.330 0.000 assi (( segid " A" and resid 1 and name HB1 )) (( segid " A" and resid 2 and name HA )) 5.000 3.200 0.000 assi (( segid " A" and resid 1 and name HB2 )) (( segid " A" and resid 3 and name HG1 )) 5.170 3.370 0.000 assi ( segid " A" and resid 1 and name HT# ) (( segid " A" and resid 3 and name HN )) 5.020 3.220 0.000 assi ( segid " A" and resid 1 and name HT# ) (( segid " A" and resid 153 and name HN )) 5.420 3.620 0.000 assi ( segid " A" and resid 1 and name HT# ) (( segid " A" and resid 158 and name HN )) 5.430 3.630 0.000 assi ( segid " A" and resid 1 and name HT# ) ( segid " A" and resid 159 and name HD2#) 5.240 3.440 0.000 assi ( segid " A" and resid 1 and name HT# ) ( segid " A" and resid 164 and name HG2#) 5.230 3.430 0.000 assi ( segid " A" and resid 1 and name HT# ) ( segid " A" and resid 166 and name HG1#) 5.250 3.450 0.000 assi ( segid " A" and resid 1 and name HT# ) (( segid " A" and resid 170 and name HN )) 5.340 3.540 0.000 assi ( segid " A" and resid 1 and name HT# ) (( segid " A" and resid 174 and name HN )) 4.940 3.140 0.000 assi ( segid " A" and resid 1 and name HT# ) (( segid " A" and resid 180 and name HN )) 4.730 2.930 0.000 assi (( segid " A" and resid 2 and name HN )) (( segid " A" and resid 3 and name HA )) 5.420 3.620 0.000 assi (( segid " A" and resid 2 and name HB2 )) (( segid " A" and resid 158 and name HB2 )) 4.560 2.760 0.000 assi (( segid " A" and resid 5 and name HN )) (( segid " A" and resid 6 and name HN )) 5.170 3.370 0.000 assi (( segid " A" and resid 5 and name HN )) ( segid " A" and resid 6 and name HG2#) 4.600 2.800 0.000 or (( segid " A" and resid 5 and name HN )) ( segid " A" and resid 6 and name HG1#) assi ( segid " A" and resid 6 and name HG2#) (( segid " A" and resid 7 and name HN )) 5.240 3.440 0.000 assi ( segid " A" and resid 6 and name HG2#) (( segid " A" and resid 8 and name HN )) 5.020 3.220 0.000 or ( segid " A" and resid 6 and name HG1#) (( segid " A" and resid 8 and name HN )) assi (( segid " A" and resid 7 and name HN )) (( segid " A" and resid 8 and name HN )) 5.250 3.450 0.000 assi (( segid " A" and resid 7 and name HA )) (( segid " A" and resid 8 and name HN )) 4.740 2.940 0.000 assi (( segid " A" and resid 7 and name HB )) (( segid " A" and resid 11 and name HG2 )) 5.300 3.500 0.000 assi (( segid " A" and resid 8 and name HN )) (( segid " A" and resid 9 and name HA )) 5.000 3.200 0.000 assi (( segid " A" and resid 8 and name HA )) (( segid " A" and resid 9 and name HA )) 5.310 3.510 0.000 assi (( segid " A" and resid 8 and name HN )) (( segid " A" and resid 9 and name HN )) 5.060 3.260 0.000 assi ( segid " A" and resid 8 and name HD2#) (( segid " A" and resid 12 and name HG11)) 6.390 4.590 0.000 assi ( segid " A" and resid 9 and name HD1#) (( segid " A" and resid 11 and name HG2 )) 5.380 3.580 0.000 assi (( segid " A" and resid 9 and name HN )) (( segid " A" and resid 11 and name HN )) 5.070 3.270 0.000 assi (( segid " A" and resid 11 and name HB2 )) (( segid " A" and resid 12 and name HG11)) 5.540 3.740 0.000 assi (( segid " A" and resid 11 and name HN )) (( segid " A" and resid 12 and name HG11)) 4.870 3.070 0.000 assi (( segid " A" and resid 11 and name HG1 )) (( segid " A" and resid 12 and name HN )) 4.830 3.030 0.000 assi (( segid " A" and resid 11 and name HE2 )) (( segid " A" and resid 12 and name HN )) 5.230 3.430 0.000 assi (( segid " A" and resid 11 and name HN )) (( segid " A" and resid 13 and name HN )) 5.420 3.620 0.000 assi (( segid " A" and resid 13 and name HA )) (( segid " A" and resid 14 and name HN )) 5.020 3.220 0.000 assi ( segid " A" and resid 14 and name HB# ) (( segid " A" and resid 15 and name HN )) 5.190 3.390 0.000 assi (( segid " A" and resid 14 and name HA )) (( segid " A" and resid 15 and name HN )) 5.160 3.360 0.000 assi (( segid " A" and resid 16 and name HN )) (( segid " A" and resid 17 and name HN )) 4.990 3.190 0.000 assi (( segid " A" and resid 18 and name HB1 )) (( segid " A" and resid 19 and name HN )) 5.050 3.250 0.000 assi (( segid " A" and resid 18 and name HB2 )) (( segid " A" and resid 19 and name HN )) 5.050 3.250 0.000 assi (( segid " A" and resid 19 and name HN )) (( segid " A" and resid 20 and name HB1 )) 5.220 3.420 0.000 assi (( segid " A" and resid 19 and name HD2 )) (( segid " A" and resid 37 and name HG2 )) 5.090 3.290 0.000 assi (( segid " A" and resid 20 and name HN )) (( segid " A" and resid 20 and name HB2 )) 4.220 2.420 0.000 assi (( segid " A" and resid 21 and name HN )) (( segid " A" and resid 22 and name HD1 )) 5.160 3.360 0.000 assi (( segid " A" and resid 21 and name HG )) (( segid " A" and resid 22 and name HD1 )) 5.130 3.330 0.000 assi (( segid " A" and resid 22 and name HD1 )) (( segid " A" and resid 23 and name HN )) 4.920 3.120 0.000 assi (( segid " A" and resid 22 and name HD2 )) (( segid " A" and resid 23 and name HA )) 5.240 3.440 0.000 assi (( segid " A" and resid 22 and name HD2 )) ( segid " A" and resid 23 and name HD# ) 5.220 3.420 0.000 assi (( segid " A" and resid 23 and name HG )) (( segid " A" and resid 24 and name HN )) 5.340 3.540 0.000 assi (( segid " A" and resid 23 and name HB1 )) (( segid " A" and resid 24 and name HN )) 4.820 3.020 0.000 assi (( segid " A" and resid 25 and name HG11)) (( segid " A" and resid 26 and name HN )) 5.150 3.350 0.000 assi (( segid " A" and resid 25 and name HN )) (( segid " A" and resid 26 and name HN )) 5.380 3.580 0.000 assi (( segid " A" and resid 27 and name HN )) (( segid " A" and resid 29 and name HA )) 5.490 3.690 0.000 assi (( segid " A" and resid 27 and name HA2 )) (( segid " A" and resid 29 and name HN )) 5.110 3.310 0.000 assi (( segid " A" and resid 28 and name HA1 )) (( segid " A" and resid 29 and name HA )) 5.160 3.360 0.000 assi (( segid " A" and resid 28 and name HA2 )) (( segid " A" and resid 29 and name HA )) 5.130 3.330 0.000 assi (( segid " A" and resid 28 and name HA2 )) (( segid " A" and resid 29 and name HN )) 4.900 3.100 0.000 assi (( segid " A" and resid 28 and name HA1 )) (( segid " A" and resid 29 and name HN )) 4.900 3.100 0.000 assi (( segid " A" and resid 29 and name HB1 )) (( segid " A" and resid 29 and name HB2 )) 3.640 1.840 0.000 assi (( segid " A" and resid 29 and name HN )) (( segid " A" and resid 30 and name HA )) 5.110 3.310 0.000 assi (( segid " A" and resid 31 and name HA )) (( segid " A" and resid 32 and name HA )) 6.630 4.830 0.000 assi (( segid " A" and resid 31 and name HN )) (( segid " A" and resid 32 and name HN )) 4.960 3.160 0.000 assi (( segid " A" and resid 31 and name HA )) (( segid " A" and resid 32 and name HN )) 4.950 3.150 0.000 assi (( segid " A" and resid 31 and name HG11)) (( segid " A" and resid 32 and name HA )) 6.300 4.500 0.000 assi (( segid " A" and resid 31 and name HN )) (( segid " A" and resid 32 and name HB1 )) 5.200 3.400 0.000 assi (( segid " A" and resid 31 and name HG11)) (( segid " A" and resid 33 and name HN )) 6.630 4.830 0.000 assi ( segid " A" and resid 31 and name HD1#) (( segid " A" and resid 37 and name HN )) 5.150 3.350 0.000 assi ( segid " A" and resid 31 and name HD1#) (( segid " A" and resid 38 and name HB )) 5.310 3.510 0.000 assi ( segid " A" and resid 33 and name HB# ) (( segid " A" and resid 34 and name HD1 )) 5.080 3.280 0.000 assi ( segid " A" and resid 33 and name HB# ) (( segid " A" and resid 183 and name HN )) 5.400 3.600 0.000 assi (( segid " A" and resid 33 and name HN )) (( segid " A" and resid 183 and name HN )) 5.310 3.510 0.000 assi (( segid " A" and resid 34 and name HG1 )) (( segid " A" and resid 36 and name HA1 )) 5.250 3.450 0.000 assi (( segid " A" and resid 35 and name HN )) (( segid " A" and resid 36 and name HA1 )) 5.060 3.260 0.000 assi (( segid " A" and resid 36 and name HA2 )) (( segid " A" and resid 37 and name HN )) 5.090 3.290 0.000 assi (( segid " A" and resid 37 and name HB1 )) (( segid " A" and resid 38 and name HN )) 5.200 3.400 0.000 assi (( segid " A" and resid 37 and name HN )) ( segid " A" and resid 38 and name HG2#) 5.150 3.350 0.000 assi (( segid " A" and resid 37 and name HG2 )) (( segid " A" and resid 38 and name HA )) 5.340 3.540 0.000 assi (( segid " A" and resid 37 and name HD2 )) (( segid " A" and resid 38 and name HN )) 5.140 3.340 0.000 assi ( segid " A" and resid 38 and name HG1#) (( segid " A" and resid 39 and name HN )) 5.240 3.440 0.000 assi (( segid " A" and resid 38 and name HN )) (( segid " A" and resid 39 and name HN )) 4.910 3.110 0.000 assi (( segid " A" and resid 39 and name HN )) (( segid " A" and resid 39 and name HB )) 4.800 3.000 0.000 assi (( segid " A" and resid 39 and name HN )) (( segid " A" and resid 40 and name HA )) 5.150 3.350 0.000 assi (( segid " A" and resid 39 and name HB )) (( segid " A" and resid 40 and name HD1 )) 5.250 3.450 0.000 assi (( segid " A" and resid 39 and name HA )) (( segid " A" and resid 40 and name HN )) 5.080 3.280 0.000 assi (( segid " A" and resid 40 and name HG1 )) (( segid " A" and resid 41 and name HN )) 5.190 3.390 0.000 assi (( segid " A" and resid 40 and name HA )) ( segid " A" and resid 41 and name HE# ) 7.540 5.740 0.000 assi (( segid " A" and resid 40 and name HG2 )) (( segid " A" and resid 41 and name HN )) 5.210 3.410 0.000 assi (( segid " A" and resid 40 and name HN )) (( segid " A" and resid 168 and name HD2 )) 5.270 3.470 0.000 assi (( segid " A" and resid 41 and name HB2 )) (( segid " A" and resid 42 and name HA )) 5.280 3.480 0.000 assi (( segid " A" and resid 41 and name HD1 )) (( segid " A" and resid 42 and name HN )) 5.330 3.530 0.000 assi (( segid " A" and resid 41 and name HA )) (( segid " A" and resid 42 and name HN )) 4.640 2.840 0.000 assi (( segid " A" and resid 41 and name HE2 )) (( segid " A" and resid 51 and name HN )) 5.020 3.220 0.000 assi (( segid " A" and resid 41 and name HE2 )) (( segid " A" and resid 51 and name HA1 )) 5.220 3.420 0.000 assi (( segid " A" and resid 41 and name HE2 )) (( segid " A" and resid 163 and name HG2 )) 6.560 4.760 0.000 assi (( segid " A" and resid 41 and name HN )) (( segid " A" and resid 168 and name HG1 )) 4.940 3.140 0.000 assi (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 42 and name HA )) 4.640 2.840 0.000 assi (( segid " A" and resid 42 and name HA )) (( segid " A" and resid 43 and name HB1 )) 4.220 2.420 0.000 assi (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 43 and name HN )) 4.570 2.770 0.000 assi (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 44 and name HN )) 5.090 3.290 0.000 assi (( segid " A" and resid 42 and name HB2 )) (( segid " A" and resid 44 and name HN )) 5.390 3.590 0.000 assi (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 168 and name HD2 )) 4.740 2.940 0.000 assi (( segid " A" and resid 42 and name HN )) (( segid " A" and resid 168 and name HB1 )) 5.340 3.540 0.000 assi (( segid " A" and resid 43 and name HB1 )) (( segid " A" and resid 44 and name HN )) 5.000 3.200 0.000 assi (( segid " A" and resid 43 and name HA )) (( segid " A" and resid 47 and name HN )) 5.550 3.750 0.000 assi (( segid " A" and resid 44 and name HB2 )) ( segid " A" and resid 47 and name HD1#) 5.330 3.530 0.000 assi (( segid " A" and resid 45 and name HN )) ( segid " A" and resid 47 and name HD2#) 5.510 3.710 0.000 assi (( segid " A" and resid 45 and name HN )) (( segid " A" and resid 47 and name HN )) 5.300 3.500 0.000 assi (( segid " A" and resid 45 and name HB )) (( segid " A" and resid 47 and name HN )) 5.230 3.430 0.000 assi (( segid " A" and resid 46 and name HN )) (( segid " A" and resid 47 and name HN )) 5.230 3.430 0.000 assi (( segid " A" and resid 46 and name HA )) (( segid " A" and resid 47 and name HA )) 5.170 3.370 0.000 assi (( segid " A" and resid 47 and name HN )) (( segid " A" and resid 48 and name HB )) 5.490 3.690 0.000 assi (( segid " A" and resid 47 and name HB1 )) (( segid " A" and resid 48 and name HA )) 4.920 3.120 0.000 assi (( segid " A" and resid 48 and name HN )) (( segid " A" and resid 49 and name HN )) 5.320 3.520 0.000 assi (( segid " A" and resid 50 and name HG1 )) (( segid " A" and resid 51 and name HN )) 4.740 2.940 0.000 assi (( segid " A" and resid 50 and name HD2 )) (( segid " A" and resid 52 and name HN )) 7.240 5.440 0.000 assi (( segid " A" and resid 52 and name HN )) (( segid " A" and resid 53 and name HN )) 5.280 3.480 0.000 assi (( segid " A" and resid 52 and name HB1 )) (( segid " A" and resid 53 and name HN )) 5.350 3.550 0.000 assi (( segid " A" and resid 52 and name HB1 )) ( segid " A" and resid 57 and name HD1#) 6.860 5.060 0.000 assi (( segid " A" and resid 53 and name HA )) (( segid " A" and resid 55 and name HA2 )) 7.420 5.620 0.000 assi (( segid " A" and resid 54 and name HN )) (( segid " A" and resid 55 and name HA1 )) 5.300 3.500 0.000 assi (( segid " A" and resid 54 and name HA )) (( segid " A" and resid 55 and name HA1 )) 4.660 2.860 0.000 assi (( segid " A" and resid 54 and name HN )) (( segid " A" and resid 55 and name HN )) 5.430 3.630 0.000 assi (( segid " A" and resid 54 and name HD1 )) (( segid " A" and resid 55 and name HA2 )) 5.320 3.520 0.000 assi (( segid " A" and resid 54 and name HG1 )) (( segid " A" and resid 58 and name HN )) 7.420 5.620 0.000 assi (( segid " A" and resid 55 and name HN )) (( segid " A" and resid 56 and name HN )) 5.120 3.320 0.000 assi (( segid " A" and resid 56 and name HB2 )) (( segid " A" and resid 57 and name HA )) 7.130 5.330 0.000 assi (( segid " A" and resid 56 and name HB2 )) (( segid " A" and resid 57 and name HN )) 4.760 2.960 0.000 assi (( segid " A" and resid 56 and name HB1 )) ( segid " A" and resid 57 and name HB# ) 7.350 5.550 0.000 assi (( segid " A" and resid 56 and name HB1 )) (( segid " A" and resid 57 and name HA )) 5.420 3.620 0.000 assi (( segid " A" and resid 56 and name HB1 )) (( segid " A" and resid 57 and name HN )) 4.760 2.960 0.000 assi (( segid " A" and resid 56 and name HA )) (( segid " A" and resid 57 and name HA )) 5.200 3.400 0.000 assi (( segid " A" and resid 56 and name HB2 )) ( segid " A" and resid 57 and name HB# ) 7.350 5.550 0.000 assi (( segid " A" and resid 57 and name HG )) (( segid " A" and resid 58 and name HB1 )) 5.310 3.510 0.000 assi ( segid " A" and resid 57 and name HD2#) (( segid " A" and resid 58 and name HB2 )) 5.310 3.510 0.000 assi ( segid " A" and resid 57 and name HD1#) (( segid " A" and resid 58 and name HN )) 5.300 3.500 0.000 assi (( segid " A" and resid 58 and name HN )) (( segid " A" and resid 58 and name HG2 )) 4.130 2.330 0.000 assi (( segid " A" and resid 58 and name HB2 )) (( segid " A" and resid 59 and name HN )) 4.230 2.430 0.000 assi (( segid " A" and resid 58 and name HB2 )) (( segid " A" and resid 60 and name HN )) 4.950 3.150 0.000 assi (( segid " A" and resid 59 and name HN )) (( segid " A" and resid 60 and name HA )) 5.120 3.320 0.000 assi ( segid " A" and resid 59 and name HB# ) (( segid " A" and resid 60 and name HN )) 4.920 3.120 0.000 assi (( segid " A" and resid 60 and name HB )) (( segid " A" and resid 61 and name HN )) 5.090 3.290 0.000 assi (( segid " A" and resid 60 and name HG11)) ( segid " A" and resid 61 and name HG2#) 4.120 2.320 0.000 assi ( segid " A" and resid 61 and name HG2#) (( segid " A" and resid 61 and name HA )) 3.720 1.920 0.000 assi (( segid " A" and resid 61 and name HA )) (( segid " A" and resid 62 and name HB1 )) 5.250 3.450 0.000 assi (( segid " A" and resid 62 and name HN )) (( segid " A" and resid 62 and name HG1 )) 4.600 2.800 0.000 assi (( segid " A" and resid 62 and name HB1 )) (( segid " A" and resid 63 and name HN )) 4.260 2.460 0.000 assi (( segid " A" and resid 62 and name HG1 )) (( segid " A" and resid 63 and name HN )) 4.260 2.460 0.000 assi (( segid " A" and resid 63 and name HG1 )) (( segid " A" and resid 64 and name HN )) 4.870 3.070 0.000 assi (( segid " A" and resid 63 and name HN )) (( segid " A" and resid 64 and name HN )) 4.650 2.850 0.000 assi (( segid " A" and resid 63 and name HA )) ( segid " A" and resid 64 and name HD2#) 6.630 4.830 0.000 assi (( segid " A" and resid 64 and name HN )) (( segid " A" and resid 65 and name HN )) 5.390 3.590 0.000 assi (( segid " A" and resid 64 and name HB2 )) (( segid " A" and resid 75 and name HA2 )) 6.470 4.670 0.000 assi (( segid " A" and resid 66 and name HA2 )) (( segid " A" and resid 67 and name HN )) 5.180 3.380 0.000 assi (( segid " A" and resid 66 and name HA2 )) ( segid " A" and resid 67 and name HB# ) 5.180 3.380 0.000 assi (( segid " A" and resid 66 and name HN )) (( segid " A" and resid 76 and name HN )) 5.300 3.500 0.000 assi (( segid " A" and resid 67 and name HN )) ( segid " A" and resid 68 and name HG1#) 5.190 3.390 0.000 assi ( segid " A" and resid 68 and name HG2#) (( segid " A" and resid 69 and name HN )) 4.080 2.280 0.000 assi (( segid " A" and resid 69 and name HG2 )) (( segid " A" and resid 70 and name HN )) 5.080 3.280 0.000 assi (( segid " A" and resid 69 and name HB2 )) (( segid " A" and resid 70 and name HG1 )) 5.300 3.500 0.000 assi (( segid " A" and resid 69 and name HG1 )) (( segid " A" and resid 70 and name HB2 )) 5.300 3.500 0.000 assi (( segid " A" and resid 69 and name HG2 )) (( segid " A" and resid 71 and name HN )) 5.350 3.550 0.000 assi ( segid " A" and resid 69 and name HE# ) ( segid " A" and resid 128 and name HD1#) 6.630 4.830 0.000 assi (( segid " A" and resid 70 and name HB1 )) (( segid " A" and resid 71 and name HN )) 6.550 4.750 0.000 assi (( segid " A" and resid 70 and name HN )) (( segid " A" and resid 71 and name HA )) 4.880 3.080 0.000 assi (( segid " A" and resid 70 and name HN )) (( segid " A" and resid 72 and name HN )) 5.390 3.590 0.000 assi (( segid " A" and resid 70 and name HN )) (( segid " A" and resid 121 and name HD1 )) 5.280 3.480 0.000 assi (( segid " A" and resid 71 and name HN )) (( segid " A" and resid 72 and name HB1 )) 5.080 3.280 0.000 assi (( segid " A" and resid 71 and name HA )) (( segid " A" and resid 72 and name HN )) 5.270 3.470 0.000 assi (( segid " A" and resid 71 and name HA )) ( segid " A" and resid 72 and name HD1#) 5.120 3.320 0.000 assi (( segid " A" and resid 71 and name HG2 )) (( segid " A" and resid 72 and name HN )) 5.420 3.620 0.000 assi (( segid " A" and resid 71 and name HN )) ( segid " A" and resid 72 and name HD2#) 5.260 3.460 0.000 assi ( segid " A" and resid 72 and name HD2#) ( segid " A" and resid 72 and name HD1#) 3.710 1.910 0.000 assi (( segid " A" and resid 72 and name HB2 )) ( segid " A" and resid 72 and name HD1#) 3.760 1.960 0.000 assi (( segid " A" and resid 72 and name HB1 )) (( segid " A" and resid 73 and name HA )) 4.820 3.020 0.000 assi (( segid " A" and resid 72 and name HB1 )) (( segid " A" and resid 73 and name HB2 )) 5.330 3.530 0.000 assi (( segid " A" and resid 74 and name HB1 )) (( segid " A" and resid 75 and name HN )) 4.870 3.070 0.000 assi (( segid " A" and resid 74 and name HA )) (( segid " A" and resid 75 and name HN )) 5.210 3.410 0.000 assi (( segid " A" and resid 75 and name HA1 )) (( segid " A" and resid 76 and name HA )) 5.220 3.420 0.000 assi (( segid " A" and resid 77 and name HG )) (( segid " A" and resid 117 and name HN )) 5.110 3.310 0.000 assi ( segid " A" and resid 77 and name HD2#) (( segid " A" and resid 118 and name HN )) 5.400 3.600 0.000 assi ( segid " A" and resid 77 and name HD2#) (( segid " A" and resid 121 and name HG2 )) 5.050 3.250 0.000 assi (( segid " A" and resid 80 and name HN )) (( segid " A" and resid 81 and name HA1 )) 5.210 3.410 0.000 assi (( segid " A" and resid 82 and name HB1 )) (( segid " A" and resid 83 and name HA )) 5.140 3.340 0.000 assi (( segid " A" and resid 82 and name HN )) (( segid " A" and resid 83 and name HB1 )) 5.510 3.710 0.000 assi (( segid " A" and resid 82 and name HA )) ( segid " A" and resid 85 and name HD2#) 5.720 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