NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
445619 | 2kkg | 16505 | cing | 3-converted-DOCR | XPLOR/CNS | distance | general distance | ambi |
assi (( segid " A" and resid 58 and name HN )) ( segid " A" and resid 57 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 58 and name HN )) ( segid " A" and resid 58 and name HA# ) 3.000 1.200 0.500 assi (( segid " A" and resid 58 and name HN )) (( segid " A" and resid 57 and name HA )) 2.500 0.700 0.500 assi (( segid " A" and resid 58 and name HN )) (( segid " A" and resid 57 and name HD1 )) 4.500 2.700 0.500 assi (( segid " A" and resid 58 and name HN )) (( segid " A" and resid 57 and name HE3 )) 4.500 2.700 0.500 assi (( segid " A" and resid 59 and name HN )) ( segid " A" and resid 59 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 59 and name HN )) ( segid " A" and resid 59 and name HG# ) 4.000 2.200 0.500 assi (( segid " A" and resid 59 and name HN )) ( segid " A" and resid 57 and name HB# ) 4.000 2.200 0.500 assi (( segid " A" and resid 59 and name HN )) ( segid " A" and resid 60 and name HD# ) 4.000 2.200 0.500 assi (( segid " A" and resid 59 and name HN )) ( segid " A" and resid 58 and name HA# ) 2.500 0.700 0.500 assi (( segid " A" and resid 59 and name HN )) (( segid " A" and resid 59 and name HA )) 3.000 1.200 0.500 assi (( segid " A" and resid 59 and name HN )) (( segid " A" and resid 57 and name HE3 )) 4.500 2.700 0.500 assi (( segid " A" and resid 59 and name HN )) (( segid " A" and resid 57 and name HD1 )) 4.500 2.700 0.500 assi (( segid " A" and resid 59 and name HA )) ( segid " A" and resid 59 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 59 and name HA )) ( segid " A" and resid 59 and name HG# ) 4.000 2.200 0.500 assi (( segid " A" and resid 59 and name HA )) ( segid " A" and resid 60 and name HD# ) 2.500 0.700 0.500 assi (( segid " A" and resid 59 and name HA )) ( segid " A" and resid 58 and name HA# ) 4.000 2.200 0.500 assi ( segid " A" and resid 59 and name HG# ) ( segid " A" and resid 59 and name HB# ) 3.000 1.200 0.500 assi ( segid " A" and resid 59 and name HG# ) ( segid " A" and resid 60 and name HD# ) 4.000 2.200 0.500 assi ( segid " A" and resid 59 and name HG# ) ( segid " A" and resid 61 and name HB# ) 4.500 2.700 0.500 assi ( segid " A" and resid 59 and name HG# ) ( segid " A" and resid 58 and name HA# ) 4.000 2.200 0.500 assi ( segid " A" and resid 59 and name HB# ) ( segid " A" and resid 60 and name HD# ) 4.500 2.700 0.500 assi (( segid " A" and resid 60 and name HA )) ( segid " A" and resid 59 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 60 and name HA )) ( segid " A" and resid 61 and name HB# ) 4.500 2.700 0.500 assi (( segid " A" and resid 60 and name HA )) ( segid " A" and resid 64 and name HA# ) 4.500 2.700 0.500 assi (( segid " A" and resid 60 and name HA )) (( segid " A" and resid 59 and name HA )) 4.000 2.200 0.500 assi ( segid " A" and resid 60 and name HB# ) ( segid " A" and resid 59 and name HG# ) 4.500 2.700 0.500 assi ( segid " A" and resid 60 and name HB# ) (( segid " A" and resid 59 and name HA )) 4.500 2.700 0.500 assi ( segid " A" and resid 60 and name HG# ) ( segid " A" and resid 59 and name HG# ) 4.500 2.700 0.500 assi ( segid " A" and resid 60 and name HG# ) (( segid " A" and resid 59 and name HA )) 4.000 2.200 0.500 assi (( segid " A" and resid 61 and name HN )) ( segid " A" and resid 60 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 61 and name HN )) ( segid " A" and resid 60 and name HB# ) 4.000 2.200 0.500 assi (( segid " A" and resid 61 and name HN )) ( segid " A" and resid 61 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 61 and name HN )) ( segid " A" and resid 60 and name HD# ) 4.500 2.700 0.500 assi (( segid " A" and resid 61 and name HN )) ( segid " A" and resid 62 and name HA# ) 4.500 2.700 0.500 assi (( segid " A" and resid 61 and name HN )) (( segid " A" and resid 60 and name HA )) 2.500 0.700 0.500 assi (( segid " A" and resid 61 and name HN )) (( segid " A" and resid 61 and name HA )) 2.500 0.700 0.500 assi (( segid " A" and resid 61 and name HN )) (( segid " A" and resid 61 and name HD2 )) 4.500 2.700 0.500 assi (( segid " A" and resid 61 and name HA )) ( segid " A" and resid 60 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 61 and name HA )) ( segid " A" and resid 60 and name HB# ) 4.000 2.200 0.500 assi (( segid " A" and resid 61 and name HA )) ( segid " A" and resid 62 and name HA# ) 4.000 2.200 0.500 assi ( segid " A" and resid 61 and name HB# ) (( segid " A" and resid 61 and name HA )) 3.000 1.200 0.500 assi (( segid " A" and resid 62 and name HN )) ( segid " A" and resid 61 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 62 and name HN )) ( segid " A" and resid 62 and name HA# ) 2.500 0.700 0.500 assi (( segid " A" and resid 62 and name HN )) (( segid " A" and resid 61 and name HA )) 3.000 1.200 0.500 assi (( segid " A" and resid 62 and name HN )) ( segid " A" and resid 60 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 65 and name HN )) ( segid " A" and resid 60 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 65 and name HN )) ( segid " A" and resid 67 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 65 and name HN )) ( segid " A" and resid 65 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 65 and name HN )) ( segid " A" and resid 64 and name HA# ) 2.500 0.700 0.500 assi (( segid " A" and resid 65 and name HN )) (( segid " A" and resid 65 and name HA )) 2.500 0.700 0.500 assi (( segid " A" and resid 65 and name HN )) (( segid " A" and resid 65 and name HD1 )) 3.000 1.200 0.500 assi (( segid " A" and resid 65 and name HN )) (( segid " A" and resid 65 and name HE3 )) 4.500 2.700 0.500 assi (( segid " A" and resid 65 and name HA )) ( segid " A" and resid 67 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 65 and name HA )) ( segid " A" and resid 66 and name HA# ) 4.000 2.200 0.500 assi (( segid " A" and resid 65 and name HA )) (( segid " A" and resid 60 and name HA )) 4.500 2.700 0.500 assi ( segid " A" and resid 65 and name HB# ) ( segid " A" and resid 67 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 65 and name HE1 )) ( segid " A" and resid 67 and name HB# ) 4.500 2.700 0.500 assi (( segid " A" and resid 65 and name HE1 )) ( segid " A" and resid 67 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 65 and name HE1 )) ( segid " A" and resid 65 and name HB# ) 4.000 2.200 0.500 assi (( segid " A" and resid 65 and name HE1 )) ( segid " A" and resid 60 and name HD# ) 4.500 2.700 0.500 assi (( segid " A" and resid 65 and name HE1 )) ( segid " A" and resid 64 and name HA# ) 3.000 1.200 0.500 assi (( segid " A" and resid 65 and name HE1 )) (( segid " A" and resid 60 and name HA )) 4.500 2.700 0.500 assi (( segid " A" and resid 65 and name HE1 )) (( segid " A" and resid 65 and name HD1 )) 3.000 1.200 0.500 assi (( segid " A" and resid 65 and name HE1 )) (( segid " A" and resid 65 and name HN )) 4.500 2.700 0.500 assi (( segid " A" and resid 66 and name HN )) ( segid " A" and resid 67 and name HB# ) 4.500 2.700 0.500 assi (( segid " A" and resid 66 and name HN )) ( segid " A" and resid 67 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 66 and name HN )) ( segid " A" and resid 66 and name HA# ) 2.500 0.700 0.500 assi (( segid " A" and resid 66 and name HN )) (( segid " A" and resid 65 and name HA )) 3.000 1.200 0.500 assi (( segid " A" and resid 66 and name HN )) (( segid " A" and resid 65 and name HD1 )) 4.500 2.700 0.500 assi (( segid " A" and resid 66 and name HN )) (( segid " A" and resid 65 and name HE3 )) 4.500 2.700 0.500 assi (( segid " A" and resid 66 and name HN )) (( segid " A" and resid 65 and name HN )) 3.000 1.200 0.500 assi (( segid " A" and resid 67 and name HN )) ( segid " A" and resid 67 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 67 and name HN )) ( segid " A" and resid 67 and name HG# ) 4.000 2.200 0.500 assi (( segid " A" and resid 67 and name HN )) ( segid " A" and resid 65 and name HB# ) 4.000 2.200 0.500 assi (( segid " A" and resid 67 and name HN )) ( segid " A" and resid 68 and name HD# ) 4.000 2.200 0.500 assi (( segid " A" and resid 67 and name HN )) ( segid " A" and resid 66 and name HA# ) 2.500 0.700 0.500 assi (( segid " A" and resid 67 and name HN )) (( segid " A" and resid 67 and name HA )) 3.000 1.200 0.500 assi (( segid " A" and resid 67 and name HN )) (( segid " A" and resid 65 and name HE3 )) 4.500 2.700 0.500 assi (( segid " A" and resid 67 and name HN )) (( segid " A" and resid 65 and name HD1 )) 4.500 2.700 0.500 assi (( segid " A" and resid 67 and name HN )) (( segid " A" and resid 66 and name HN )) 3.000 1.200 0.500 assi (( segid " A" and resid 67 and name HA )) ( segid " A" and resid 67 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 67 and name HA )) ( segid " A" and resid 67 and name HG# ) 4.000 2.200 0.500 assi (( segid " A" and resid 67 and name HA )) ( segid " A" and resid 68 and name HD# ) 3.000 1.200 0.500 assi (( segid " A" and resid 67 and name HA )) ( segid " A" and resid 66 and name HA# ) 4.000 2.200 0.500 assi ( segid " A" and resid 67 and name HG# ) ( segid " A" and resid 68 and name HD# ) 4.000 2.200 0.500 assi ( segid " A" and resid 67 and name HG# ) ( segid " A" and resid 69 and name HB# ) 4.500 2.700 0.500 assi ( segid " A" and resid 67 and name HG# ) ( segid " A" and resid 66 and name HA# ) 4.000 2.200 0.500 assi ( segid " A" and resid 67 and name HB# ) ( segid " A" and resid 68 and name HD# ) 4.500 2.700 0.500 assi (( segid " A" and resid 68 and name HA )) ( segid " A" and resid 67 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 68 and name HA )) ( segid " A" and resid 69 and name HB# ) 4.500 2.700 0.500 assi (( segid " A" and resid 68 and name HA )) ( segid " A" and resid 72 and name HA# ) 4.500 2.700 0.500 assi (( segid " A" and resid 68 and name HA )) (( segid " A" and resid 67 and name HA )) 4.000 2.200 0.500 assi ( segid " A" and resid 68 and name HB# ) ( segid " A" and resid 67 and name HG# ) 4.500 2.700 0.500 assi ( segid " A" and resid 68 and name HB# ) (( segid " A" and resid 67 and name HA )) 4.500 2.700 0.500 assi ( segid " A" and resid 68 and name HG# ) ( segid " A" and resid 67 and name HG# ) 4.500 2.700 0.500 assi ( segid " A" and resid 68 and name HG# ) (( segid " A" and resid 67 and name HA )) 4.000 2.200 0.500 assi (( segid " A" and resid 69 and name HN )) ( segid " A" and resid 68 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 69 and name HN )) ( segid " A" and resid 68 and name HB# ) 4.000 2.200 0.500 assi (( segid " A" and resid 69 and name HN )) ( segid " A" and resid 69 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 69 and name HN )) ( segid " A" and resid 68 and name HD# ) 4.500 2.700 0.500 assi (( segid " A" and resid 69 and name HN )) ( segid " A" and resid 70 and name HA# ) 4.500 2.700 0.500 assi (( segid " A" and resid 69 and name HN )) (( segid " A" and resid 68 and name HA )) 2.500 0.700 0.500 assi (( segid " A" and resid 69 and name HN )) (( segid " A" and resid 69 and name HA )) 2.500 0.700 0.500 assi (( segid " A" and resid 69 and name HN )) (( segid " A" and resid 69 and name HD2 )) 4.500 2.700 0.500 assi (( segid " A" and resid 69 and name HA )) ( segid " A" and resid 68 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 69 and name HA )) ( segid " A" and resid 68 and name HB# ) 4.000 2.200 0.500 assi (( segid " A" and resid 69 and name HA )) ( segid " A" and resid 70 and name HA# ) 4.000 2.200 0.500 assi ( segid " A" and resid 69 and name HB# ) (( segid " A" and resid 69 and name HA )) 3.000 1.200 0.500 assi (( segid " A" and resid 70 and name HN )) ( segid " A" and resid 69 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 70 and name HN )) ( segid " A" and resid 70 and name HA# ) 2.500 0.700 0.500 assi (( segid " A" and resid 70 and name HN )) (( segid " A" and resid 69 and name HA )) 3.000 1.200 0.500 assi (( segid " A" and resid 70 and name HN )) ( segid " A" and resid 68 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 73 and name HN )) ( segid " A" and resid 68 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 73 and name HN )) ( segid " A" and resid 75 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 73 and name HN )) ( segid " A" and resid 73 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 73 and name HN )) ( segid " A" and resid 72 and name HA# ) 2.500 0.700 0.500 assi (( segid " A" and resid 73 and name HN )) (( segid " A" and resid 73 and name HA )) 2.500 0.700 0.500 assi (( segid " A" and resid 73 and name HN )) (( segid " A" and resid 73 and name HD1 )) 3.000 1.200 0.500 assi (( segid " A" and resid 73 and name HN )) (( segid " A" and resid 73 and name HE3 )) 4.500 2.700 0.500 assi (( segid " A" and resid 73 and name HA )) ( segid " A" and resid 75 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 73 and name HA )) ( segid " A" and resid 74 and name HA# ) 4.000 2.200 0.500 assi (( segid " A" and resid 73 and name HA )) (( segid " A" and resid 68 and name HA )) 4.500 2.700 0.500 assi ( segid " A" and resid 73 and name HB# ) ( segid " A" and resid 75 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 73 and name HE1 )) ( segid " A" and resid 75 and name HB# ) 4.500 2.700 0.500 assi (( segid " A" and resid 73 and name HE1 )) ( segid " A" and resid 75 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 73 and name HE1 )) ( segid " A" and resid 73 and name HB# ) 4.000 2.200 0.500 assi (( segid " A" and resid 73 and name HE1 )) ( segid " A" and resid 68 and name HD# ) 4.500 2.700 0.500 assi (( segid " A" and resid 73 and name HE1 )) ( segid " A" and resid 72 and name HA# ) 3.000 1.200 0.500 assi (( segid " A" and resid 73 and name HE1 )) (( segid " A" and resid 68 and name HA )) 4.500 2.700 0.500 assi (( segid " A" and resid 73 and name HE1 )) (( segid " A" and resid 73 and name HD1 )) 3.000 1.200 0.500 assi (( segid " A" and resid 73 and name HE1 )) (( segid " A" and resid 73 and name HN )) 4.500 2.700 0.500 assi (( segid " A" and resid 74 and name HN )) ( segid " A" and resid 75 and name HB# ) 4.500 2.700 0.500 assi (( segid " A" and resid 74 and name HN )) ( segid " A" and resid 75 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 74 and name HN )) ( segid " A" and resid 74 and name HA# ) 2.500 0.700 0.500 assi (( segid " A" and resid 74 and name HN )) (( segid " A" and resid 73 and name HA )) 3.000 1.200 0.500 assi (( segid " A" and resid 74 and name HN )) (( segid " A" and resid 73 and name HD1 )) 4.500 2.700 0.500 assi (( segid " A" and resid 74 and name HN )) (( segid " A" and resid 73 and name HE3 )) 4.500 2.700 0.500 assi (( segid " A" and resid 74 and name HN )) (( segid " A" and resid 73 and name HN )) 3.000 1.200 0.500 assi (( segid " A" and resid 75 and name HN )) ( segid " A" and resid 75 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 75 and name HN )) ( segid " A" and resid 75 and name HG# ) 4.000 2.200 0.500 assi (( segid " A" and resid 75 and name HN )) ( segid " A" and resid 73 and name HB# ) 4.000 2.200 0.500 assi (( segid " A" and resid 75 and name HN )) ( segid " A" and resid 76 and name HD# ) 4.000 2.200 0.500 assi (( segid " A" and resid 75 and name HN )) ( segid " A" and resid 74 and name HA# ) 2.500 0.700 0.500 assi (( segid " A" and resid 75 and name HN )) (( segid " A" and resid 75 and name HA )) 3.000 1.200 0.500 assi (( segid " A" and resid 75 and name HN )) (( segid " A" and resid 73 and name HE3 )) 4.500 2.700 0.500 assi (( segid " A" and resid 75 and name HN )) (( segid " A" and resid 73 and name HD1 )) 4.500 2.700 0.500 assi (( segid " A" and resid 75 and name HN )) (( segid " A" and resid 74 and name HN )) 3.000 1.200 0.500 assi (( segid " A" and resid 75 and name HA )) ( segid " A" and resid 75 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 75 and name HA )) ( segid " A" and resid 75 and name HG# ) 4.000 2.200 0.500 assi (( segid " A" and resid 75 and name HA )) ( segid " A" and resid 76 and name HD# ) 3.000 1.200 0.500 assi (( segid " A" and resid 75 and name HA )) ( segid " A" and resid 74 and name HA# ) 4.000 2.200 0.500 assi ( segid " A" and resid 75 and name HG# ) ( segid " A" and resid 75 and name HB# ) 3.000 1.200 0.500 assi ( segid " A" and resid 75 and name HG# ) ( segid " A" and resid 76 and name HD# ) 4.000 2.200 0.500 assi ( segid " A" and resid 75 and name HG# ) ( segid " A" and resid 77 and name HB# ) 4.500 2.700 0.500 assi ( segid " A" and resid 75 and name HG# ) ( segid " A" and resid 74 and name HA# ) 4.000 2.200 0.500 assi ( segid " A" and resid 75 and name HB# ) ( segid " A" and resid 76 and name HD# ) 4.500 2.700 0.500 assi (( segid " A" and resid 76 and name HA )) ( segid " A" and resid 75 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 76 and name HA )) ( segid " A" and resid 77 and name HB# ) 4.500 2.700 0.500 assi (( segid " A" and resid 76 and name HA )) ( segid " A" and resid 80 and name HA# ) 4.500 2.700 0.500 assi (( segid " A" and resid 76 and name HA )) (( segid " A" and resid 75 and name HA )) 4.000 2.200 0.500 assi ( segid " A" and resid 76 and name HB# ) ( segid " A" and resid 75 and name HG# ) 4.500 2.700 0.500 assi ( segid " A" and resid 76 and name HB# ) (( segid " A" and resid 75 and name HA )) 4.500 2.700 0.500 assi ( segid " A" and resid 76 and name HG# ) ( segid " A" and resid 75 and name HG# ) 4.500 2.700 0.500 assi ( segid " A" and resid 76 and name HG# ) (( segid " A" and resid 75 and name HA )) 4.000 2.200 0.500 assi (( segid " A" and resid 77 and name HN )) ( segid " A" and resid 76 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 77 and name HN )) ( segid " A" and resid 76 and name HB# ) 4.000 2.200 0.500 assi (( segid " A" and resid 77 and name HN )) ( segid " A" and resid 77 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 77 and name HN )) ( segid " A" and resid 76 and name HD# ) 4.500 2.700 0.500 assi (( segid " A" and resid 77 and name HN )) ( segid " A" and resid 78 and name HA# ) 4.500 2.700 0.500 assi (( segid " A" and resid 77 and name HN )) (( segid " A" and resid 76 and name HA )) 2.500 0.700 0.500 assi (( segid " A" and resid 77 and name HN )) (( segid " A" and resid 77 and name HA )) 2.500 0.700 0.500 assi (( segid " A" and resid 77 and name HN )) (( segid " A" and resid 77 and name HD2 )) 4.500 2.700 0.500 assi (( segid " A" and resid 77 and name HA )) ( segid " A" and resid 76 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 77 and name HA )) ( segid " A" and resid 76 and name HB# ) 4.000 2.200 0.500 assi (( segid " A" and resid 77 and name HA )) ( segid " A" and resid 78 and name HA# ) 4.000 2.200 0.500 assi ( segid " A" and resid 77 and name HB# ) (( segid " A" and resid 77 and name HA )) 3.000 1.200 0.500 assi (( segid " A" and resid 78 and name HN )) ( segid " A" and resid 77 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 78 and name HN )) ( segid " A" and resid 78 and name HA# ) 2.500 0.700 0.500 assi (( segid " A" and resid 78 and name HN )) (( segid " A" and resid 77 and name HA )) 3.000 1.200 0.500 assi (( segid " A" and resid 78 and name HN )) ( segid " A" and resid 76 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 81 and name HN )) ( segid " A" and resid 76 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 81 and name HN )) ( segid " A" and resid 83 and name HG# ) 4.500 2.700 0.500 assi (( segid " A" and resid 81 and name HN )) ( segid " A" and resid 81 and name HB# ) 3.000 1.200 0.500 assi (( segid " A" and resid 81 and name HN )) ( segid " A" and resid 80 and name HA# ) 2.500 0.700 0.500 assi (( segid " A" and resid 81 and name HN )) (( segid " A" and resid 81 and name HA )) 2.500 0.700 0.500 assi (( segid " A" and resid 81 and name HN )) (( segid " A" and resid 81 and name HD1 )) 3.000 1.200 0.500 assi (( segid " A" and resid 81 and name HN )) (( segid " A" and resid 81 and name HE3 )) 4.500 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