NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
369064 | 1b4r | 4478 | cing | recoord | dress | 3-converted-DOCR | XPLOR/CNS | distance | general distance | ambi |
assi ( segid " A" and resid 8 and name HT# ) (( segid " A" and resid 8 and name HA )) 4.000 2.200 1.000 assi ( segid " A" and resid 8 and name HT# ) ( segid " A" and resid 8 and name HB# ) 2.400 0.600 0.800 assi (( segid " A" and resid 8 and name HA )) ( segid " A" and resid 27 and name HG2#) 4.000 2.200 1.500 assi (( segid " A" and resid 8 and name HA )) ( segid " A" and resid 29 and name HB# ) 3.000 1.200 0.800 assi ( segid " A" and resid 8 and name HB# ) (( segid " A" and resid 29 and name HA )) 4.000 2.200 1.500 assi (( segid " A" and resid 8 and name HA )) ( segid " A" and resid 30 and name HD# ) 4.000 2.200 1.000 assi ( segid " A" and resid 8 and name HB# ) ( segid " A" and resid 30 and name HD# ) 4.000 2.200 1.500 assi ( segid " A" and resid 8 and name HB# ) ( segid " A" and resid 70 and name HD1#) 3.000 1.200 1.300 assi ( segid " A" and resid 8 and name HB# ) ( segid " A" and resid 70 and name HD2#) 3.000 1.200 1.300 assi ( segid " A" and resid 8 and name HT# ) ( segid " A" and resid 70 and name HD2#) 4.000 2.200 1.500 assi ( segid " A" and resid 8 and name HT# ) ( segid " A" and resid 79 and name HD2#) 3.000 1.200 0.800 assi (( segid " A" and resid 9 and name HA )) ( segid " A" and resid 9 and name HG2#) 4.000 2.200 1.500 assi (( segid " A" and resid 9 and name HA )) (( segid " A" and resid 9 and name HB )) 3.000 1.200 0.300 assi (( segid " A" and resid 9 and name HN )) (( segid " A" and resid 8 and name HA )) 2.400 0.600 0.300 assi ( segid " A" and resid 9 and name HG2#) (( segid " A" and resid 9 and name HA )) 4.000 2.200 1.500 assi (( segid " A" and resid 9 and name HN )) (( segid " A" and resid 9 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 9 and name HN )) (( segid " A" and resid 9 and name HB )) 4.000 2.200 1.000 assi (( segid " A" and resid 9 and name HN )) ( segid " A" and resid 9 and name HG2#) 3.000 1.200 0.800 assi (( segid " A" and resid 9 and name HA )) ( segid " A" and resid 10 and name HD2#) 4.000 2.200 1.500 or (( segid " A" and resid 9 and name HA )) ( segid " A" and resid 10 and name HD1#) assi (( segid " A" and resid 9 and name HB )) ( segid " A" and resid 10 and name HD1#) 4.000 2.200 1.500 assi (( segid " A" and resid 9 and name HN )) ( segid " A" and resid 10 and name HD1#) 4.000 2.200 1.500 assi (( segid " A" and resid 9 and name HB )) ( segid " A" and resid 11 and name HG# ) 4.000 2.200 1.500 assi (( segid " A" and resid 9 and name HN )) ( segid " A" and resid 27 and name HG2#) 3.000 1.200 0.800 assi (( segid " A" and resid 9 and name HB )) ( segid " A" and resid 28 and name HB# ) 3.000 1.200 0.800 assi (( segid " A" and resid 9 and name HN )) (( segid " A" and resid 28 and name HN )) 4.000 2.200 1.000 assi (( segid " A" and resid 9 and name HB )) ( segid " A" and resid 29 and name HB# ) 4.000 2.200 1.500 assi (( segid " A" and resid 9 and name HN )) (( segid " A" and resid 29 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 10 and name HN )) (( segid " A" and resid 9 and name HA )) 3.000 1.200 0.300 assi (( segid " A" and resid 10 and name HN )) (( segid " A" and resid 9 and name HB )) 4.000 2.200 1.000 assi (( segid " A" and resid 10 and name HA )) (( segid " A" and resid 10 and name HB1 )) 3.000 1.200 0.300 assi (( segid " A" and resid 10 and name HA )) (( segid " A" and resid 10 and name HB2 )) 4.000 2.200 1.000 assi (( segid " A" and resid 10 and name HN )) (( segid " A" and resid 10 and name HB1 )) 4.000 2.200 1.000 assi (( segid " A" and resid 10 and name HN )) (( segid " A" and resid 10 and name HB2 )) 3.000 1.200 0.300 assi (( segid " A" and resid 10 and name HN )) ( segid " A" and resid 10 and name HD1#) 4.000 2.200 1.500 assi (( segid " A" and resid 10 and name HN )) ( segid " A" and resid 10 and name HD2#) 4.000 2.200 1.500 assi (( segid " A" and resid 10 and name HA )) ( segid " A" and resid 27 and name HD1#) 3.000 1.200 0.800 assi (( segid " A" and resid 10 and name HA )) ( segid " A" and resid 27 and name HG2#) 3.000 1.200 0.800 assi ( segid " A" and resid 10 and name HD1#) (( segid " A" and resid 79 and name HA )) 3.000 1.200 0.800 assi (( segid " A" and resid 11 and name HN )) (( segid " A" and resid 10 and name HA )) 2.400 0.600 0.300 assi (( segid " A" and resid 11 and name HN )) (( segid " A" and resid 11 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 11 and name HN )) (( segid " A" and resid 11 and name HB )) 3.000 1.200 0.300 assi (( segid " A" and resid 11 and name HN )) (( segid " A" and resid 27 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 11 and name HN )) ( segid " A" and resid 27 and name HD1#) 4.000 2.200 1.500 assi (( segid " A" and resid 11 and name HN )) ( segid " A" and resid 27 and name HG2#) 4.000 2.200 1.500 assi (( segid " A" and resid 12 and name HN )) (( segid " A" and resid 11 and name HA )) 2.400 0.600 0.300 assi (( segid " A" and resid 12 and name HN )) ( segid " A" and resid 11 and name HG# ) 4.000 2.200 1.500 assi (( segid " A" and resid 12 and name HN )) ( segid " A" and resid 12 and name HA# ) 4.000 2.200 1.000 assi ( segid " A" and resid 12 and name HA# ) ( segid " A" and resid 13 and name HD# ) 3.000 1.200 0.300 assi ( segid " A" and resid 12 and name HA# ) ( segid " A" and resid 81 and name HG2#) 4.000 2.200 1.500 assi (( segid " A" and resid 14 and name HN )) (( segid " A" and resid 13 and name HA )) 3.000 1.200 0.300 assi (( segid " A" and resid 14 and name HN )) ( segid " A" and resid 13 and name HB# ) 3.000 1.200 0.300 assi (( segid " A" and resid 14 and name HN )) (( segid " A" and resid 14 and name HA )) 3.000 1.200 0.300 assi (( segid " A" and resid 14 and name HN )) ( segid " A" and resid 14 and name HB# ) 4.000 2.200 1.000 assi (( segid " A" and resid 14 and name HN )) (( segid " A" and resid 15 and name HN )) 4.000 2.200 1.000 assi (( segid " A" and resid 15 and name HN )) (( segid " A" and resid 14 and name HA )) 3.000 1.200 0.300 assi (( segid " A" and resid 15 and name HN )) ( segid " A" and resid 14 and name HB# ) 3.000 1.200 0.300 assi (( segid " A" and resid 15 and name HN )) ( segid " A" and resid 15 and name HA# ) 2.400 0.600 0.300 assi (( segid " A" and resid 15 and name HN )) ( segid " A" and resid 16 and name HD# ) 4.000 2.200 1.000 assi (( segid " A" and resid 17 and name HN )) (( segid " A" and resid 16 and name HA )) 2.400 0.600 0.300 assi (( segid " A" and resid 17 and name HN )) ( segid " A" and resid 16 and name HB# ) 3.000 1.200 0.300 assi (( segid " A" and resid 17 and name HN )) ( segid " A" and resid 17 and name HD# ) 4.000 2.200 1.500 assi (( segid " A" and resid 17 and name HN )) ( segid " A" and resid 85 and name HG2#) 4.000 2.200 1.500 assi (( segid " A" and resid 17 and name HN )) (( segid " A" and resid 86 and name HN )) 4.000 2.200 1.000 assi (( segid " A" and resid 18 and name HN )) (( segid " A" and resid 17 and name HA )) 2.400 0.600 0.300 assi (( segid " A" and resid 18 and name HN )) ( segid " A" and resid 18 and name HB# ) 2.400 0.600 0.800 assi (( segid " A" and resid 18 and name HA )) ( segid " A" and resid 86 and name HB# ) 4.000 2.200 1.000 assi (( segid " A" and resid 19 and name HN )) (( segid " A" and resid 18 and name HA )) 2.400 0.600 0.300 assi (( segid " A" and resid 19 and name HN )) ( segid " A" and resid 18 and name HB# ) 3.000 1.200 0.800 assi (( segid " A" and resid 19 and name HN )) ( segid " A" and resid 19 and name HB# ) 3.000 1.200 0.300 assi (( segid " A" and resid 19 and name HA )) ( segid " A" and resid 85 and name HG1#) 3.000 1.200 0.800 assi ( segid " A" and resid 19 and name HB# ) ( segid " A" and resid 85 and name HG1#) 4.000 2.200 1.500 assi (( segid " A" and resid 19 and name HN )) ( segid " A" and resid 85 and name HG1#) 3.000 1.200 0.800 assi (( segid " A" and resid 19 and name HN )) ( segid " A" and resid 86 and name HB# ) 4.000 2.200 1.000 assi ( segid " A" and resid 19 and name HB# ) (( segid " A" and resid 87 and name HA )) 4.000 2.200 1.000 assi ( segid " A" and resid 19 and name HB# ) ( segid " A" and resid 87 and name HB# ) 3.000 1.200 0.800 assi (( segid " A" and resid 20 and name HN )) (( segid " A" and resid 19 and name HA )) 3.000 1.200 0.300 assi (( segid " A" and resid 20 and name HN )) ( segid " A" and resid 19 and name HB# ) 4.000 2.200 1.000 assi (( segid " A" and resid 20 and name HN )) (( segid " A" and resid 19 and name HG )) 4.000 2.200 1.000 assi (( segid " A" and resid 20 and name HN )) ( segid " A" and resid 20 and name HA# ) 3.000 1.200 0.300 assi (( segid " A" and resid 20 and name HN )) (( segid " A" and resid 21 and name HN )) 4.000 2.200 1.000 assi (( segid " A" and resid 20 and name HN )) (( segid " A" and resid 59 and name HA )) 3.000 1.200 0.300 assi (( segid " A" and resid 20 and name HN )) ( segid " A" and resid 85 and name HG1#) 3.000 1.200 0.800 assi (( segid " A" and resid 21 and name HN )) (( segid " A" and resid 19 and name HG )) 4.000 2.200 1.000 assi (( segid " A" and resid 21 and name HN )) ( segid " A" and resid 20 and name HA# ) 4.000 2.200 1.000 assi (( segid " A" and resid 21 and name HN )) ( segid " A" and resid 21 and name HB# ) 3.000 1.200 0.300 assi (( segid " A" and resid 21 and name HN )) ( segid " A" and resid 21 and name HG# ) 4.000 2.200 1.000 assi (( segid " A" and resid 22 and name HA )) ( segid " A" and resid 17 and name HD# ) 4.000 2.200 1.500 assi (( segid " A" and resid 22 and name HN )) (( segid " A" and resid 21 and name HA )) 2.400 0.600 0.300 assi (( segid " A" and resid 22 and name HN )) ( segid " A" and resid 21 and name HG# ) 4.000 2.200 1.000 assi (( segid " A" and resid 22 and name HN )) (( segid " A" and resid 22 and name HA )) 3.000 1.200 0.300 assi (( segid " A" and resid 22 and name HN )) ( segid " A" and resid 22 and name HB# ) 2.400 0.600 0.300 assi ( segid " A" and resid 22 and name HD1#) (( segid " A" and resid 24 and name HA )) 4.000 2.200 1.500 assi ( segid " A" and resid 22 and name HD2#) (( segid " A" and resid 55 and name HA )) 4.000 2.200 1.500 assi (( segid " A" and resid 22 and name HA )) (( segid " A" and resid 57 and name HA )) 3.000 1.200 0.300 assi (( segid " A" and resid 23 and name HA )) ( segid " A" and resid 17 and name HD# ) 3.000 1.200 0.800 assi ( segid " A" and resid 23 and name HB# ) ( segid " A" and resid 17 and name HD# ) 3.000 1.200 1.300 assi (( segid " A" and resid 23 and name HN )) ( segid " A" and resid 17 and name HD# ) 4.000 2.200 1.500 assi (( segid " A" and resid 23 and name HN )) (( segid " A" and resid 22 and name HA )) 3.000 1.200 0.300 assi (( segid " A" and resid 23 and name HN )) ( segid " A" and resid 22 and name HD1#) 3.000 1.200 0.800 assi (( segid " A" and resid 23 and name HN )) (( segid " A" and resid 23 and name HA )) 3.000 1.200 0.300 assi (( segid " A" and resid 23 and name HN )) ( segid " A" and resid 23 and name HB# ) 3.000 1.200 0.800 assi ( segid " A" and resid 23 and name HB# ) ( segid " A" and resid 25 and name HD# ) 3.000 1.200 0.800 assi ( segid " A" and resid 23 and name HB# ) ( segid " A" and resid 25 and name HE# ) 3.000 1.200 0.800 assi ( segid " A" and resid 23 and name HB# ) (( segid " A" and resid 25 and name HZ )) 4.000 2.200 1.500 assi ( segid " A" and resid 23 and name HB# ) (( segid " A" and resid 56 and name HB2 )) 4.000 2.200 1.500 assi (( segid " A" and resid 23 and name HN )) (( segid " A" and resid 57 and name HA )) 4.000 2.200 1.000 assi ( segid " A" and resid 23 and name HB# ) ( segid " A" and resid 83 and name HG2#) 4.000 2.200 2.000 or ( segid " A" and resid 23 and name HB# ) ( segid " A" and resid 83 and name HG1#) assi (( segid " A" and resid 24 and name HN )) ( segid " A" and resid 13 and name HG# ) 4.000 2.200 1.000 assi ( segid " A" and resid 24 and name HB# ) (( segid " A" and resid 14 and name HA )) 4.000 2.200 1.500 assi ( segid " A" and resid 24 and name HB# ) ( segid " A" and resid 22 and name HD1#) 3.000 1.200 1.300 assi (( segid " A" and resid 24 and name HN )) (( segid " A" and resid 23 and name HA )) 2.400 0.600 0.300 assi (( segid " A" and resid 24 and name HN )) ( segid " A" and resid 23 and name HB# ) 3.000 1.200 0.800 assi (( segid " A" and resid 24 and name HN )) (( segid " A" and resid 24 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 24 and name HN )) ( segid " A" and resid 24 and name HB# ) 2.400 0.600 0.800 assi (( segid " A" and resid 24 and name HA )) (( segid " A" and resid 55 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 24 and name HA )) ( segid " A" and resid 55 and name HB# ) 4.000 2.200 1.000 assi ( segid " A" and resid 24 and name HB# ) (( segid " A" and resid 55 and name HA )) 4.000 2.200 1.500 assi ( segid " A" and resid 24 and name HB# ) ( segid " A" and resid 55 and name HB# ) 4.000 2.200 1.500 assi (( segid " A" and resid 25 and name HA )) ( segid " A" and resid 12 and name HA# ) 3.000 1.200 0.300 assi (( segid " A" and resid 25 and name HA )) ( segid " A" and resid 13 and name HD# ) 4.000 2.200 1.000 assi (( segid " A" and resid 25 and name HN )) ( segid " A" and resid 23 and name HB# ) 4.000 2.200 1.500 assi (( segid " A" and resid 25 and name HN )) (( segid " A" and resid 24 and name HA )) 2.400 0.600 0.300 assi (( segid " A" and resid 25 and name HA )) (( segid " A" and resid 25 and name HB1 )) 3.000 1.200 0.300 assi (( segid " A" and resid 25 and name HA )) (( segid " A" and resid 25 and name HB2 )) 4.000 2.200 1.000 assi (( segid " A" and resid 25 and name HN )) (( segid " A" and resid 25 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 25 and name HN )) (( segid " A" and resid 25 and name HB1 )) 4.000 2.200 1.000 assi (( segid " A" and resid 25 and name HN )) (( segid " A" and resid 25 and name HB2 )) 3.000 1.200 0.300 assi (( segid " A" and resid 25 and name HN )) ( segid " A" and resid 25 and name HD# ) 3.000 1.200 0.300 assi ( segid " A" and resid 25 and name HD# ) ( segid " A" and resid 27 and name HD1#) 4.000 2.200 1.500 assi (( segid " A" and resid 25 and name HB1 )) (( segid " A" and resid 38 and name HH2 )) 3.000 1.200 0.300 assi (( segid " A" and resid 25 and name HB1 )) (( segid " A" and resid 38 and name HZ3 )) 4.000 2.200 1.000 assi (( segid " A" and resid 25 and name HB2 )) (( segid " A" and resid 38 and name HH2 )) 3.000 1.200 0.300 assi (( segid " A" and resid 25 and name HB2 )) (( segid " A" and resid 38 and name HZ3 )) 4.000 2.200 1.000 assi (( segid " A" and resid 25 and name HN )) (( segid " A" and resid 54 and name HN )) 4.000 2.200 1.000 assi ( segid " A" and resid 25 and name HD# ) (( segid " A" and resid 55 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 25 and name HN )) (( segid " A" and resid 55 and name HA )) 3.000 1.200 0.300 assi ( segid " A" and resid 25 and name HD# ) ( segid " A" and resid 66 and name HG1#) 4.000 2.200 1.500 assi ( segid " A" and resid 25 and name HD# ) ( segid " A" and resid 66 and name HG2#) 4.000 2.200 1.500 assi (( segid " A" and resid 25 and name HZ )) (( segid " A" and resid 83 and name HB )) 4.000 2.200 1.000 assi (( segid " A" and resid 26 and name HD2 )) (( segid " A" and resid 11 and name HB )) 3.000 1.200 0.300 assi (( segid " A" and resid 26 and name HD2 )) ( segid " A" and resid 11 and name HG# ) 4.000 2.200 1.500 assi (( segid " A" and resid 26 and name HE1 )) (( segid " A" and resid 11 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 26 and name HE1 )) (( segid " A" and resid 11 and name HB )) 3.000 1.200 0.300 assi (( segid " A" and resid 26 and name HE1 )) ( segid " A" and resid 11 and name HG# ) 3.000 1.200 0.800 assi (( segid " A" and resid 26 and name HN )) (( segid " A" and resid 11 and name HB )) 3.000 1.200 0.300 assi (( segid " A" and resid 26 and name HN )) ( segid " A" and resid 11 and name HG# ) 4.000 2.200 1.500 assi (( segid " A" and resid 26 and name HN )) ( segid " A" and resid 12 and name HA# ) 4.000 2.200 1.000 assi (( segid " A" and resid 26 and name HN )) (( segid " A" and resid 25 and name HA )) 2.400 0.600 0.300 assi (( segid " A" and resid 26 and name HN )) (( segid " A" and resid 25 and name HB1 )) 3.000 1.200 0.300 assi (( segid " A" and resid 26 and name HN )) ( segid " A" and resid 25 and name HB# ) 4.000 2.200 1.000 assi (( segid " A" and resid 26 and name HN )) ( segid " A" and resid 25 and name HD# ) 4.000 2.200 1.000 assi (( segid " A" and resid 26 and name HA )) (( segid " A" and resid 26 and name HB1 )) 3.000 1.200 0.300 assi (( segid " A" and resid 26 and name HA )) (( segid " A" and resid 26 and name HB2 )) 3.000 1.200 0.300 assi (( segid " A" and resid 26 and name HD2 )) (( segid " A" and resid 26 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 26 and name HD2 )) ( segid " A" and resid 26 and name HB# ) 3.000 1.200 0.300 assi (( segid " A" and resid 26 and name HN )) (( segid " A" and resid 26 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 26 and name HN )) (( segid " A" and resid 26 and name HB1 )) 3.000 1.200 0.300 assi (( segid " A" and resid 26 and name HN )) (( segid " A" and resid 26 and name HB2 )) 4.000 2.200 1.000 assi (( segid " A" and resid 26 and name HA )) (( segid " A" and resid 38 and name HH2 )) 4.000 2.200 1.000 assi (( segid " A" and resid 26 and name HA )) (( segid " A" and resid 38 and name HZ2 )) 4.000 2.200 1.000 assi (( segid " A" and resid 26 and name HA )) (( segid " A" and resid 53 and name HA )) 3.000 1.200 0.300 assi (( segid " A" and resid 26 and name HA )) ( segid " A" and resid 53 and name HB# ) 3.000 1.200 0.800 assi ( segid " A" and resid 26 and name HB# ) ( segid " A" and resid 53 and name HB# ) 4.000 2.200 1.500 assi (( segid " A" and resid 27 and name HA )) (( segid " A" and resid 10 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 27 and name HN )) (( segid " A" and resid 26 and name HA )) 2.400 0.600 0.300 assi (( segid " A" and resid 27 and name HN )) ( segid " A" and resid 26 and name HB# ) 4.000 2.200 1.000 assi (( segid " A" and resid 27 and name HA )) ( segid " A" and resid 27 and name HD1#) 3.000 1.200 0.800 assi (( segid " A" and resid 27 and name HN )) (( segid " A" and resid 27 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 27 and name HN )) (( segid " A" and resid 27 and name HB )) 3.000 1.200 0.300 assi (( segid " A" and resid 27 and name HN )) ( segid " A" and resid 27 and name HD1#) 4.000 2.200 1.500 assi (( segid " A" and resid 27 and name HN )) ( segid " A" and resid 27 and name HG1#) 3.000 1.200 0.300 assi ( segid " A" and resid 27 and name HD1#) (( segid " A" and resid 38 and name HH2 )) 3.000 1.200 0.800 assi ( segid " A" and resid 27 and name HD1#) (( segid " A" and resid 38 and name HZ2 )) 3.000 1.200 0.800 assi ( segid " A" and resid 27 and name HG1#) (( segid " A" and resid 52 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 27 and name HN )) (( segid " A" and resid 52 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 27 and name HN )) ( segid " A" and resid 52 and name HB# ) 4.000 2.200 1.000 assi ( segid " A" and resid 27 and name HG1#) (( segid " A" and resid 53 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 27 and name HN )) (( segid " A" and resid 53 and name HA )) 4.000 2.200 1.000 assi ( segid " A" and resid 27 and name HD1#) ( segid " A" and resid 68 and name HB# ) 4.000 2.200 2.000 assi ( segid " A" and resid 28 and name HB# ) (( segid " A" and resid 8 and name HA )) 4.000 2.200 1.500 assi (( segid " A" and resid 28 and name HN )) (( segid " A" and resid 10 and name HA )) 4.000 2.200 1.000 assi (( segid " A" and resid 28 and name HN )) (( segid " A" and resid 27 and name HA )) 2.400 0.600 0.300 assi (( segid " A" and resid 28 and name HN )) (( segid " A" and resid 27 and name HB )) 4.000 2.200 1.000 assi (( segid " A" and resid 28 and name HN )) ( segid " A" and resid 27 and name HD1#) 4.000 2.200 1.500 assi (( segid " A" and resid 28 and name HN )) ( segid " A" and resid 27 and name HG2#) 3.000 1.200 0.800 assi (( segid " A" and resid 28 and name HN )) ( segid " A" and resid 28 and name HB# ) 3.000 1.200 0.800 assi (( segid " A" and resid 28 and name HA 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