BMRB

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
550156 2lvf RC 6529 cing 1-original 4 XPLOR/CNS distance NOE simple 

! file 1
assign (resid 5 and name HE21 ) (resid 5 and name HE22 ) 1.700 0 3.3
assign (resid 11 and name HE21 ) (resid 11 and name HE22 ) 1.700 0.0 3.3
assign (resid 13 and name HE21 ) (resid 13 and name HE22 ) 1.700 0 3.3
assign (resid 15 and name HE21 ) (resid 15 and name HE22 ) 1.700 0.0 3.3
assign (resid 18 and name HB1 ) (resid 18 and name HB2 ) 1.700 0.0 3.3
assign (resid 73 and name HE21 ) (resid 73 and name HE22 ) 1.700 0 3.3
assign (resid 93 and name HD21 ) (resid 93 and name HD22 ) 1.700 0.0 3.3
! file 2
assign (resid 3 and name HN ) (resid 2 and name HA ) 1.800 0 3.2
assign (resid 3 and name HN ) (resid 3 and name HB2 ) 1.800 0 3.2
assign (resid 4 and name HN ) (resid 3 and name HA ) 1.800 0 3.2
assign (resid 5 and name HN ) (resid 5 and name HA ) 1.800 0 3.2
assign (resid 6 and name HN ) (resid 5 and name HA ) 1.800 0 3.2
assign (resid 6 and name HN ) (resid 6 and name HB# ) 1.800 0 3.2
assign (resid 15 and name HB1 ) (resid 15 and name HB2 ) 1.800 0.1 3.2
assign (resid 16 and name HG# ) (resid 16 and name HA ) 1.800 0 3.2
assign (resid 20 and name HB1 ) (resid 20 and name HB2 ) 1.800 0.1 3.2 
assign (resid 27 and name HB# ) (resid 27 and name HA ) 1.800 0 3.2
assign (resid 27 and name HB# ) (resid 27 and name HG2 ) 1.800 0 3.2
assign (resid 44 and name HB1 ) (resid 44 and name HG1 ) 1.800 0 3.2
assign (resid 49 and name HB1 ) (resid 49 and name HB2 ) 1.800 0.1 3.2
assign (resid 53 and name HB1 ) (resid 53 and name HB2 ) 1.800 0.1 3.2
assign (resid 57 and name HB1 ) (resid 57 and name HB2 ) 1.800 0.1 3.2
assign (resid 60 and name HB1 ) (resid 60 and name HB2 ) 1.800 0.1 3.2
assign (resid 62 and name HB1 ) (resid 62 and name HB2 ) 1.800 0.1 3.2
assign (resid 64 and name HA1 ) (resid 64 and name HA2 ) 1.800 0.1 3.2
assign (resid 78 and name HN ) (resid 77 and name HA ) 1.800 0 3.2
assign (resid 95 and name HD1 ) (resid 95 and name HD2 ) 1.800 0.1 3.2
assign (resid 98 and name HB1 ) (resid 98 and name HB2 ) 1.800 0.1 3.2
assign (resid 99 and name HB2 ) (resid 99 and name HB1 ) 1.800 0 3.2
assign (resid 99 and name HD22 ) (resid 99 and name HD21 ) 1.800 0 3.2
assign (resid 107 and name HG1 ) (resid 107 and name HG2 ) 1.800 0.1 3.2
assign (resid 111 and name HG11 ) (resid 111 and name HG12 ) 1.800 0 3.2
assign (resid 112 and name HN ) (resid 111 and name HA ) 1.800 0 3.2
assign (resid 113 and name HN ) (resid 112 and name HA ) 1.800 0 3.2
assign (resid 114 and name HB2 ) (resid 114 and name HB1 ) 1.800 0 3.2
assign (resid 114 and name HN ) (resid 114 and name HA ) 1.800 0 3.2
assign (resid 114 and name HN ) (resid 114 and name HB2 ) 1.800 0 3.2
! file 3
assign (resid 2 and name HB# ) (resid 2 and name HA ) 2.500 0.7 2.5
assign (resid 3 and name HN ) (resid 2 and name HB# ) 2.400 0.6 2.6
assign (resid 3 and name HN ) (resid 3 and name HA ) 2.000 0.2 3
assign (resid 3 and name HN ) (resid 3 and name HB1 ) 2.100 0.3 2.9
assign (resid 3 and name HN ) (resid 3 and name HG# ) 2.100 0.3 2.9
assign (resid 4 and name HN ) (resid 3 and name HB1 ) 2.100 0.3 2.9
assign (resid 4 and name HN ) (resid 3 and name HB2 ) 2.400 0.6 2.6
assign (resid 4 and name HN ) (resid 4 and name HA ) 2.100 0.3 2.9
assign (resid 4 and name HN ) (resid 4 and name HB# ) 1.900 0.1 3.1
assign (resid 4 and name HN ) (resid 6 and name HG2 ) 2.300 0.5 2.7
assign (resid 5 and name HA ) (resid 5 and name HG# ) 1.900 0.1 3.1
assign (resid 5 and name HE21 ) (resid 5 and name HG# ) 2.200 0.4 2.8
assign (resid 5 and name HN ) (resid 3 and name HB2 ) 2.400 0.6 2.6
assign (resid 5 and name HN ) (resid 4 and name HN ) 2.600 0.8 2.4
assign (resid 5 and name HN ) (resid 5 and name HB1 ) 2.200 0.4 2.8
assign (resid 5 and name HN ) (resid 5 and name HG# ) 2.100 0.3 2.9
assign (resid 5 and name HN ) (resid 6 and name HG2 ) 2.800 1 2.2
assign (resid 6 and name HN ) (resid 5 and name HB1 ) 2.400 0.6 2.6
assign (resid 6 and name HN ) (resid 6 and name HA ) 2.100 0.3 2.9
assign (resid 6 and name HN ) (resid 6 and name HG# ) 2.100 0.3 2.9
assign (resid 6 and name HN ) (resid 7 and name HN ) 2.800 1 2.2
assign (resid 7 and name HN ) (resid 6 and name HA ) 2.100 0.3 2.9
assign (resid 7 and name HN ) (resid 7 and name HA ) 2.200 0.4 2.8
assign (resid 7 and name HN ) (resid 7 and name HB# ) 1.900 0.1 3.1
assign (resid 7 and name HN ) (resid 7 and name HG# ) 2.200 0.4 2.8
assign (resid 8 and name HA ) (resid 8 and name HB# ) 2.300 0.5 2.7
assign (resid 8 and name HN ) (resid 7 and name HA ) 2.300 0.5 2.7
assign (resid 8 and name HN ) (resid 7 and name HB# ) 2.400 0.6 2.6
assign (resid 8 and name HN ) (resid 7 and name HG# ) 2.700 0.9 2.3
assign (resid 8 and name HN ) (resid 7 and name HN ) 2.800 1 2.2
assign (resid 8 and name HN ) (resid 8 and name HA ) 2.500 0.7 2.5
assign (resid 8 and name HN ) (resid 8 and name HB# ) 2.500 0.7 2.5
assign (resid 8 and name HN ) (resid 9 and name HN ) 2.800 1 2.2
assign (resid 9 and name HB# ) (resid 9 and name HD2# ) 2.000 0.2 3
assign (resid 9 and name HN ) (resid 10 and name HN ) 2.700 0.9 2.3
assign (resid 9 and name HN ) (resid 9 and name HA ) 2.500 0.7 2.5
assign (resid 9 and name HN ) (resid 9 and name HB# ) 2.200 0.4 2.8
assign (resid 10 and name HG2 ) (resid 10 and name HA ) 2.800 1 2.2
assign (resid 11 and name HA ) (resid 11 and name HG1 ) 2.700 0.9 2.3
assign (resid 11 and name HE21 ) (resid 11 and name HG2 ) 2.800 1 2.2
assign (resid 11 and name HE22 ) (resid 11 and name HG2 ) 2.800 1 2.2
assign (resid 11 and name HN ) (resid 10 and name HA ) 2.700 0.9 2.3
assign (resid 11 and name HN ) (resid 11 and name HG1 ) 2.800 1 2.2
assign (resid 11 and name HN ) (resid 11 and name HG2 ) 2.600 0.8 2.4
assign (resid 13 and name HE21 ) (resid 13 and name HG2 ) 2.700 0.9 2.3
assign (resid 13 and name HE22 ) (resid 13 and name HG2 ) 2.700 0.9 2.3
assign (resid 13 and name HN ) (resid 12 and name HN ) 2.700 0.9 2.3
assign (resid 13 and name HN ) (resid 13 and name HA ) 2.300 0.5 2.7
assign (resid 13 and name HN ) (resid 13 and name HB# ) 2.200 0.4 2.8
assign (resid 13 and name HN ) (resid 13 and name HG2 ) 2.600 0.8 2.4
assign (resid 13 and name HN ) (resid 14 and name HB# ) 2.600 0.8 2.4
assign (resid 14 and name HB# ) (resid 11 and name HG# ) 2.700 0.9 2.3
assign (resid 14 and name HB# ) (resid 14 and name HD# ) 2.500 0.7 2.5
assign (resid 14 and name HD# ) (resid 14 and name HG# ) 2.000 0.2 3
assign (resid 14 and name HN ) (resid 13 and name HA ) 2.800 1 2.2
assign (resid 14 and name HN ) (resid 13 and name HB# ) 2.600 0.8 2.4
assign (resid 14 and name HN ) (resid 14 and name HA ) 2.500 0.7 2.5
assign (resid 14 and name HN ) (resid 14 and name HB# ) 2.300 0.5 2.7
assign (resid 15 and name HA ) (resid 15 and name HB1 ) 2.300 0.5 2.7
assign (resid 15 and name HB2 ) (resid 14 and name HB1 ) 2.200 0.4 2.8
assign (resid 15 and name HN ) (resid 13 and name HA ) 2.700 0.9 2.3
assign (resid 15 and name HN ) (resid 14 and name HA ) 2.800 1 2.2
assign (resid 15 and name HN ) (resid 14 and name HN ) 2.800 1 2.2
assign (resid 15 and name HN ) (resid 15 and name HA ) 2.500 0.7 2.5
assign (resid 15 and name HN ) (resid 15 and name HB1 ) 2.700 0.9 2.3
assign (resid 15 and name HN ) (resid 15 and name HG1 ) 2.600 0.8 2.4
assign (resid 15 and name HN ) (resid 15 and name HG2 ) 2.500 0.7 2.5
assign (resid 15 and name HN ) (resid 16 and name HN ) 2.700 0.9 2.3
assign (resid 16 and name HA ) (resid 16 and name HB2 ) 2.300 0.5 2.7
assign (resid 16 and name HB1 ) (resid 16 and name HA ) 2.300 0.5 2.7
assign (resid 16 and name HN ) (resid 15 and name HA ) 2.500 0.7 2.5
assign (resid 16 and name HN ) (resid 16 and name HA ) 2.000 0.2 3
assign (resid 16 and name HN ) (resid 16 and name HB1 ) 2.700 0.9 2.3
assign (resid 16 and name HN ) (resid 16 and name HB2 ) 2.300 0.5 2.7
assign (resid 17 and name HA ) (resid 17 and name HB2 ) 2.300 0.5 2.7
assign (resid 17 and name HA ) (resid 17 and name HG1 ) 2.400 0.6 2.6
assign (resid 17 and name HN ) (resid 16 and name HA ) 2.500 0.7 2.5
assign (resid 17 and name HN ) (resid 16 and name HN ) 2.700 0.9 2.3
assign (resid 17 and name HN ) (resid 17 and name HA ) 2.400 0.6 2.6
assign (resid 17 and name HN ) (resid 17 and name HB2 ) 2.700 0.9 2.3
assign (resid 17 and name HN ) (resid 17 and name HG# ) 2.800 1 2.2
assign (resid 18 and name HA ) (resid 18 and name HB1 ) 2.700 0.9 2.3
assign (resid 18 and name HA ) (resid 18 and name HB2 ) 2.700 0.9 2.3
assign (resid 18 and name HB1 ) (resid 18 and name HG ) 2.600 0.8 2.4
assign (resid 18 and name HD1# ) (resid 18 and name HB1 ) 2.300 0.5 2.7
assign (resid 18 and name HD1# ) (resid 18 and name HG ) 2.400 0.6 2.6
assign (resid 18 and name HD2# ) (resid 18 and name HG ) 2.500 0.7 2.5
assign (resid 18 and name HG ) (resid 18 and name HA ) 2.300 0.5 2.7
assign (resid 18 and name HN ) (resid 18 and name HA ) 2.500 0.7 2.5
assign (resid 19 and name HA ) (resid 19 and name HB1 ) 2.100 0.3 2.9
assign (resid 19 and name HA ) (resid 19 and name HB2 ) 2.500 0.7 2.5
assign (resid 19 and name HN ) (resid 18 and name HA ) 2.300 0.5 2.7
assign (resid 19 and name HN ) (resid 18 and name HN ) 2.800 1 2.2
assign (resid 19 and name HN ) (resid 19 and name HA ) 2.800 1 2.2
assign (resid 20 and name HN ) (resid 20 and name HE2 ) 2.800 1 2.2
assign (resid 21 and name HA ) (resid 21 and name HB1 ) 2.500 0.7 2.5
assign (resid 21 and name HA ) (resid 49 and name HB2 ) 2.500 0.7 2.5
assign (resid 21 and name HB1 ) (resid 18 and name HB2 ) 2.600 0.8 2.4
assign (resid 21 and name HB1 ) (resid 21 and name HB2 ) 2.200 0.4 2.8
assign (resid 21 and name HB2 ) (resid 18 and name HB2 ) 2.500 0.7 2.5
assign (resid 21 and name HB2 ) (resid 21 and name HA ) 2.800 1 2.2
assign (resid 22 and name HA ) (resid 22 and name HD# ) 2.800 1 2.2
assign (resid 23 and name HA ) (resid 23 and name HG1 ) 2.700 0.9 2.3
assign (resid 23 and name HN ) (resid 23 and name HA ) 2.700 0.9 2.3
assign (resid 23 and name HN ) (resid 23 and name HG1 ) 2.600 0.8 2.4
assign (resid 24 and name HA ) (resid 24 and name HB# ) 2.500 0.7 2.5
assign (resid 24 and name HA ) (resid 24 and name HD# ) 2.600 0.8 2.4
assign (resid 24 and name HB2 ) (resid 24 and name HD# ) 2.600 0.8 2.4
assign (resid 24 and name HN ) (resid 24 and name HA ) 2.800 1 2.2
assign (resid 24 and name HN ) (resid 24 and name HB# ) 2.800 1 2.2
assign (resid 25 and name HA ) (resid 25 and name HB2 ) 2.700 0.9 2.3
assign (resid 25 and name HA ) (resid 25 and name HG2 ) 2.600 0.8 2.4
assign (resid 25 and name HB1 ) (resid 25 and name HA ) 2.500 0.7 2.5
assign (resid 25 and name HB2 ) (resid 25 and name HB1 ) 2.000 0.2 3
assign (resid 25 and name HB# ) (resid 25 and name HG# ) 2.500 0.7 2.5
assign (resid 25 and name HG# ) (resid 25 and name HA ) 2.200 0.4 2.8
assign (resid 25 and name HN ) (resid 25 and name HG# ) 2.700 0.9 2.3
assign (resid 26 and name HA ) (resid 26 and name HG2 ) 2.300 0.5 2.7
assign (resid 26 and name HN ) (resid 26 and name HB# ) 2.800 1 2.2
assign (resid 27 and name HE21 ) (resid 27 and name HB1 ) 2.700 0.9 2.3
assign (resid 27 and name HE21 ) (resid 27 and name HE22 ) 1.900 0.1 3.1
assign (resid 27 and name HE21 ) (resid 27 and name HG2 ) 2.400 0.6 2.6
assign (resid 27 and name HE21 ) (resid 28 and name HB1 ) 2.700 0.9 2.3
assign (resid 27 and name HN ) (resid 28 and name HA ) 2.800 1 2.2
assign (resid 28 and name HA ) (resid 28 and name HB1 ) 2.000 0.2 3
assign (resid 28 and name HA ) (resid 28 and name HB2 ) 2.200 0.4 2.8
assign (resid 28 and name HE21 ) (resid 28 and name HG1 ) 2.600 0.8 2.4
assign (resid 28 and name HE21 ) (resid 28 and name HG2 ) 2.800 1 2.2
assign (resid 28 and name HE22 ) (resid 28 and name HG2 ) 2.700 0.9 2.3
assign (resid 28 and name HN ) (resid 25 and name HB2 ) 2.800 1 2.2
assign (resid 28 and name HN ) (resid 28 and name HA ) 2.600 0.8 2.4
assign (resid 28 and name HN ) (resid 28 and name HB1 ) 2.600 0.8 2.4
assign (resid 28 and name HN ) (resid 28 and name HB2 ) 2.500 0.7 2.5
assign (resid 28 and name HN ) (resid 28 and name HG2 ) 2.700 0.9 2.3
assign (resid 30 and name HN ) (resid 29 and name HB# ) 2.400 0.6 2.6
assign (resid 30 and name HN ) (resid 29 and name HN ) 2.800 1 2.2
assign (resid 30 and name HN ) (resid 30 and name HA ) 2.400 0.6 2.6
assign (resid 30 and name HN ) (resid 30 and name HB2 ) 2.400 0.6 2.6
assign (resid 30 and name HN ) (resid 30 and name HG1 ) 2.800 1 2.2
assign (resid 30 and name HN ) (resid 30 and name HG2 ) 2.800 1 2.2
assign (resid 30 and name HN ) (resid 31 and name HN ) 2.700 0.9 2.3
assign (resid 31 and name HN ) (resid 30 and name HB1 ) 2.300 0.5 2.7
assign (resid 31 and name HN ) (resid 31 and name HA ) 2.100 0.3 2.9
assign (resid 31 and name HN ) (resid 31 and name HG# ) 2.300 0.5 2.7
assign (resid 31 and name HN ) (resid 32 and name HN ) 2.600 0.8 2.4
assign (resid 32 and name HA ) (resid 32 and name HB# ) 2.000 0.2 3
assign (resid 32 and name HN ) (resid 31 and name HA ) 2.100 0.3 2.9
assign (resid 32 and name HN ) (resid 31 and name HB1 ) 2.700 0.9 2.3
assign (resid 32 and name HN ) (resid 31 and name HB2 ) 2.600 0.8 2.4
assign (resid 32 and name HN ) (resid 32 and name HA ) 2.400 0.6 2.6
assign (resid 32 and name HN ) (resid 32 and name HB# ) 2.400 0.6 2.6
assign (resid 33 and name HN ) (resid 32 and name HA ) 2.200 0.4 2.8
assign (resid 33 and name HN ) (resid 32 and name HB# ) 2.800 1 2.2
assign (resid 33 and name HN ) (resid 32 and name HN ) 2.600 0.8 2.4
assign (resid 33 and name HN ) (resid 33 and name HA ) 2.500 0.7 2.5
assign (resid 33 and name HN ) (resid 33 and name HB ) 2.800 1 2.2
assign (resid 34 and name HA ) (resid 34 and name HB2 ) 2.400 0.6 2.6
assign (resid 34 and name HB1 ) (resid 34 and name HD# ) 2.600 0.8 2.4
assign (resid 34 and name HB2 ) (resid 34 and name HD# ) 2.700 0.9 2.3
assign (resid 34 and name HN ) (resid 33 and name HA ) 2.400 0.6 2.6
assign (resid 34 and name HN ) (resid 33 and name HB ) 2.800 1 2.2
assign (resid 34 and name HN ) (resid 34 and name HA ) 2.500 0.7 2.5
assign (resid 34 and name HN ) (resid 34 and name HB1 ) 2.500 0.7 2.5
assign (resid 34 and name HN ) (resid 34 and name HB2 ) 2.600 0.8 2.4
assign (resid 34 and name HN ) (resid 35 and name HA ) 2.700 0.9 2.3
assign (resid 35 and name HB2 ) (resid 37 and name HG2 ) 2.700 0.9 2.3
assign (resid 35 and name HE22 ) (resid 35 and name HG# ) 2.500 0.7 2.5
assign (resid 35 and name HG# ) (resid 35 and name HA ) 2.300 0.5 2.7
assign (resid 35 and name HN ) (resid 34 and name HA ) 2.700 0.9 2.3
assign (resid 35 and name HN ) (resid 35 and name HB2 ) 2.800 1 2.2
assign (resid 37 and name HA ) (resid 37 and name HB2 ) 2.500 0.7 2.5
assign (resid 37 and name HA ) (resid 38 and name HD1 ) 2.500 0.7 2.5
assign (resid 37 and name HA ) (resid 38 and name HD2 ) 2.500 0.7 2.5
assign (resid 38 and name HA ) (resid 38 and name HB2 ) 2.200 0.4 2.8
assign (resid 38 and name HD2 ) (resid 38 and name HD1 ) 2.000 0.2 3
assign (resid 38 and name HG# ) (resid 38 and name HB1 ) 1.900 0.1 3.1
assign (resid 39 and name HG# ) (resid 39 and name HA ) 2.400 0.6 2.6
assign (resid 39 and name HN ) (resid 38 and name HA ) 1.900 0.1 3.1
assign (resid 39 and name HN ) (resid 38 and name HB1 ) 2.400 0.6 2.6
assign (resid 39 and name HN ) (resid 38 and name HB2 ) 2.700 0.9 2.3
assign (resid 39 and name HN ) (resid 38 and name HG# ) 2.700 0.9 2.3
assign (resid 39 and name HN ) (resid 39 and name HA ) 2.500 0.7 2.5
assign (resid 39 and name HN ) (resid 39 and name HG# ) 2.600 0.8 2.4
assign (resid 40 and name HA ) (resid 40 and name HB# ) 2.200 0.4 2.8
assign (resid 40 and name HN ) (resid 39 and name HB2 ) 2.700 0.9 2.3
assign (resid 40 and name HN ) (resid 40 and name HA ) 2.200 0.4 2.8
assign (resid 40 and name HN ) (resid 40 and name HB2 ) 2.700 0.9 2.3
assign (resid 41 and name HN ) (resid 40 and name HA ) 2.100 0.3 2.9
assign (resid 41 and name HN ) (resid 41 and name HA1 ) 2.400 0.6 2.6
assign (resid 41 and name HN ) (resid 41 and name HA2 ) 2.400 0.6 2.6
assign (resid 42 and name HN ) (resid 41 and name HA1 ) 2.300 0.5 2.7
assign (resid 42 and name HN ) (resid 41 and name HA2 ) 2.300 0.5 2.7
assign (resid 42 and name HN ) (resid 42 and name HA ) 2.400 0.6 2.6
assign (resid 42 and name HN ) (resid 42 and name HB# ) 2.100 0.3 2.9
assign (resid 42 and name HN ) (resid 42 and name HG2 ) 2.600 0.8 2.4
assign (resid 43 and name HA ) (resid 44 and name HD1 ) 2.800 1 2.2
assign (resid 43 and name HN ) (resid 42 and name HG2 ) 2.600 0.8 2.4
assign (resid 43 and name HN ) (resid 43 and name HA ) 2.100 0.3 2.9
assign (resid 43 and name HN ) (resid 43 and name HB2 ) 2.400 0.6 2.6
assign (resid 45 and name HN ) (resid 44 and name HB1 ) 2.800 1 2.2
assign (resid 45 and name HN ) (resid 44 and name HB2 ) 2.700 0.9 2.3
assign (resid 45 and name HN ) (resid 45 and name HA ) 2.000 0.2 3
assign (resid 45 and name HN ) (resid 45 and name HB# ) 2.800 1 2.2
assign (resid 46 and name HB2 ) (resid 46 and name HA ) 2.600 0.8 2.4
assign (resid 46 and name HB2 ) (resid 46 and name HG1 ) 2.700 0.9 2.3
assign (resid 46 and name HN ) (resid 46 and name HA ) 2.800 1 2.2
assign (resid 46 and name HN ) (resid 46 and name HB2 ) 2.800 1 2.2
assign (resid 47 and name HN ) (resid 46 and name HB1 ) 2.800 1 2.2
assign (resid 47 and name HN ) (resid 46 and name HN ) 2.800 1 2.2
assign (resid 47 and name HN ) (resid 47 and name HA ) 2.400 0.6 2.6
assign (resid 47 and name HN ) (resid 47 and name HB# ) 2.200 0.4 2.8
assign (resid 48 and name HN ) (resid 48 and name HA ) 2.400 0.6 2.6
assign (resid 49 and name HA ) (resid 49 and name HB1 ) 2.600 0.8 2.4
assign (resid 49 and name HA ) (resid 49 and name HB2 ) 2.300 0.5 2.7
assign (resid 50 and name HA ) (resid 50 and name HB1 ) 2.500 0.7 2.5
assign (resid 50 and name HA ) (resid 50 and name HB2 ) 2.600 0.8 2.4
assign (resid 50 and name HB1 ) (resid 50 and name HB2 ) 2.100 0.3 2.9
assign (resid 50 and name HB2 ) (resid 47 and name HA ) 2.800 1 2.2
assign (resid 50 and name HN ) (resid 50 and name HA ) 2.600 0.8 2.4
assign (resid 50 and name HN ) (resid 50 and name HB1 ) 2.800 1 2.2
assign (resid 50 and name HN ) (resid 50 and name HB2 ) 2.600 0.8 2.4
assign (resid 50 and name HN ) (resid 51 and name HN ) 2.700 0.9 2.3
assign (resid 51 and name HN ) (resid 51 and name HA ) 2.300 0.5 2.7
assign (resid 51 and name HN ) (resid 51 and name HB# ) 2.100 0.3 2.9
assign (resid 51 and name HN ) (resid 51 and name HG2 ) 2.500 0.7 2.5
assign (resid 52 and name HB1 ) (resid 52 and name HA ) 2.600 0.8 2.4
assign (resid 52 and name HB1 ) (resid 52 and name HB2 ) 2.500 0.7 2.5
assign (resid 52 and name HB1 ) (resid 52 and name HG1 ) 2.400 0.6 2.6
assign (resid 52 and name HG1 ) (resid 52 and name HG2 ) 2.100 0.3 2.9
assign (resid 52 and name HG2 ) (resid 52 and name HA ) 2.400 0.6 2.6
assign (resid 52 and name HG2 ) (resid 52 and name HB2 ) 2.800 1 2.2
assign (resid 52 and name HN ) (resid 52 and name HG2 ) 2.700 0.9 2.3
assign (resid 52 and name HN ) (resid 53 and name HN ) 2.800 1 2.2
assign (resid 53 and name HA ) (resid 53 and name HB2 ) 2.600 0.8 2.4
assign (resid 53 and name HA ) (resid 53 and name HD1# ) 2.500 0.7 2.5
assign (resid 53 and name HD1# ) (resid 53 and name HG ) 2.300 0.5 2.7
assign (resid 53 and name HD2# ) (resid 53 and name HA ) 2.400 0.6 2.6
assign (resid 53 and name HN ) (resid 53 and name HA ) 2.600 0.8 2.4
assign (resid 53 and name HN ) (resid 53 and name HG ) 2.500 0.7 2.5
assign (resid 53 and name HN ) (resid 54 and name HN ) 2.800 1 2.2
assign (resid 54 and name HB1 ) (resid 50 and name HB1 ) 2.600 0.8 2.4
assign (resid 54 and name HN ) (resid 53 and name HA ) 2.600 0.8 2.4
assign (resid 54 and name HN ) (resid 53 and name HG ) 2.800 1 2.2
assign (resid 54 and name HN ) (resid 54 and name HA ) 2.600 0.8 2.4
assign (resid 54 and name HN ) (resid 54 and name HB1 ) 2.500 0.7 2.5
assign (resid 54 and name HN ) (resid 54 and name HB2 ) 2.500 0.7 2.5
assign (resid 54 and name HN ) (resid 54 and name HG# ) 2.700 0.9 2.3
assign (resid 55 and name HA1 ) (resid 55 and name HA2 ) 1.900 0.1 3.1
assign (resid 55 and name HN ) (resid 54 and name HN ) 2.700 0.9 2.3
assign (resid 55 and name HN ) (resid 55 and name HA1 ) 2.300 0.5 2.7
assign (resid 55 and name HN ) (resid 55 and name HA2 ) 2.400 0.6 2.6
assign (resid 55 and name HN ) (resid 56 and name HN ) 2.600 0.8 2.4
assign (resid 56 and name HN ) (resid 55 and name HA1 ) 2.700 0.9 2.3
assign (resid 56 and name HN ) (resid 55 and name HA2 ) 2.700 0.9 2.3
assign (resid 56 and name HN ) (resid 56 and name HA ) 2.500 0.7 2.5
assign (resid 56 and name HN ) (resid 56 and name HB1 ) 2.600 0.8 2.4
assign (resid 56 and name HN ) (resid 56 and name HB2 ) 2.500 0.7 2.5
assign (resid 56 and name HN ) (resid 56 and name HG1 ) 2.700 0.9 2.3
assign (resid 56 and name HN ) (resid 56 and name HG2 ) 2.500 0.7 2.5
assign (resid 57 and name HA ) (resid 57 and name HB1 ) 2.500 0.7 2.5
assign (resid 57 and name HB2 ) (resid 57 and name HA ) 2.600 0.8 2.4
assign (resid 57 and name HN ) (resid 56 and name HA ) 2.200 0.4 2.8
assign (resid 57 and name HN ) (resid 56 and name HB1 ) 2.600 0.8 2.4
assign (resid 57 and name HN ) (resid 56 and name HB2 ) 2.600 0.8 2.4
assign (resid 57 and name HN ) (resid 57 and name HA ) 2.600 0.8 2.4
assign (resid 57 and name HN ) (resid 57 and name HB1 ) 2.300 0.5 2.7
assign (resid 57 and name HN ) (resid 57 and name HB2 ) 2.400 0.6 2.6
assign (resid 58 and name HA ) (resid 58 and name HG# ) 2.100 0.3 2.9
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assign (resid 111 and name HN ) (resid 110 and name HB1 ) 2.600 0.8 2.4
assign (resid 111 and name HN ) (resid 111 and name HA ) 2.300 0.5 2.7
assign (resid 111 and name HN ) (resid 111 and name HB ) 2.200 0.4 2.8
assign (resid 111 and name HN ) (resid 111 and name HG11 ) 2.600 0.8 2.4
assign (resid 111 and name HN ) (resid 111 and name HG12 ) 2.500 0.7 2.5
assign (resid 111 and name HN ) (resid 112 and name HN ) 2.400 0.6 2.6
assign (resid 111 and name HN ) (resid 114 and name HA ) 2.500 0.7 2.5
assign (resid 112 and name HN ) (resid 111 and name HG2# ) 2.500 0.7 2.5
assign (resid 112 and name HN ) (resid 112 and name HA ) 2.100 0.3 2.9
assign (resid 112 and name HN ) (resid 112 and name HB# ) 2.000 0.2 3
assign (resid 113 and name HA2 ) (resid 113 and name HA1 ) 2.000 0.2 3
assign (resid 113 and name HN ) (resid 112 and name HB# ) 2.500 0.7 2.5
assign (resid 113 and name HN ) (resid 113 and name HA1 ) 1.900 0.1 3.1
assign (resid 113 and name HN ) (resid 113 and name HA2 ) 2.000 0.2 3
assign (resid 113 and name HN ) (resid 114 and name HN ) 2.000 0.2 3
assign (resid 114 and name HB1 ) (resid 114 and name HA ) 2.300 0.5 2.7
assign (resid 114 and name HB1 ) (resid 114 and name HD# ) 2.800 1 2.2
assign (resid 114 and name HB2 ) (resid 114 and name HA ) 2.400 0.6 2.6
assign (resid 114 and name HB2 ) (resid 114 and name HD# ) 2.800 1 2.2
assign (resid 114 and name HN ) (resid 112 and name HA ) 2.500 0.7 2.5
assign (resid 114 and name HN ) (resid 113 and name HA1 ) 2.100 0.3 2.9
assign (resid 114 and name HN ) (resid 113 and name HA2 ) 2.000 0.2 3
assign (resid 114 and name HN ) (resid 114 and name HB1 ) 2.100 0.3 2.9
assign (resid 114 and name HN ) (resid 114 and name HD# ) 2.400 0.6 2.6
! file 4
assign (resid 4 and name HA ) (resid 5 and name HB1 ) 3.300 1.5 1.7
assign (resid 5 and name HE21 ) (resid 5 and name HB1 ) 3.000 1.2 2
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assign (resid 5 and name HN ) (resid 4 and name HB# ) 3.300 1.5 1.7
assign (resid 5 and name HN ) (resid 5 and name HB2 ) 2.900 1.1 2.1
assign (resid 7 and name HN ) (resid 8 and name HA ) 3.200 1.4 1.8
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assign (resid 9 and name HN ) (resid 8 and name HB# ) 2.900 1.1 2.1
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assign (resid 11 and name HE21 ) (resid 11 and name HG1 ) 2.900 1.1 2.1
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assign (resid 12 and name HN ) (resid 11 and name HN ) 2.900 1.1 2.1
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assign (resid 13 and name HN ) (resid 12 and name HG# ) 3.300 1.5 1.7
assign (resid 14 and name HN ) (resid 13 and name HG2 ) 3.100 1.3 1.9
assign (resid 14 and name HN ) (resid 14 and name HD# ) 3.300 1.5 1.7
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assign (resid 14 and name HN ) (resid 15 and name HA ) 2.900 1.1 2.1
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assign (resid 15 and name HE21 ) (resid 14 and name HB2 ) 3.200 1.4 1.8
assign (resid 15 and name HE21 ) (resid 15 and name HB2 ) 3.000 1.2 2
assign (resid 15 and name HE22 ) (resid 14 and name HB2 ) 3.000 1.2 2
assign (resid 15 and name HN ) (resid 16 and name HB2 ) 4.800 1.3 1.2
assign (resid 15 and name HN ) (resid 17 and name HN ) 3.200 1.4 1.8
assign (resid 16 and name HE21 ) (resid 16 and name HA ) 3.300 1.5 1.7
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assign (resid 16 and name HN ) (resid 14 and name HA ) 3.000 1.2 2
assign (resid 16 and name HN ) (resid 14 and name HN ) 3.000 1.2 2
assign (resid 17 and name HA ) (resid 17 and name HE# ) 2.900 1.1 2.1
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assign (resid 17 and name HN ) (resid 17 and name HB1 ) 2.900 1.1 2.1
assign (resid 17 and name HN ) (resid 18 and name HG ) 3.400 1.6 1.6
assign (resid 18 and name HA ) (resid 18 and name HD1# ) 2.900 1.1 2.1
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assign (resid 18 and name HN ) (resid 17 and name HN ) 2.900 1.1 2.1
assign (resid 18 and name HN ) (resid 18 and name HD1# ) 3.200 1.4 1.8
assign (resid 18 and name HN ) (resid 18 and name HG ) 3.200 1.4 1.8
assign (resid 19 and name HN ) (resid 19 and name HB1 ) 2.900 1.1 2.1
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assign (resid 20 and name HN ) (resid 19 and name HN ) 3.200 1.4 1.8
assign (resid 20 and name HN ) (resid 20 and name HA ) 3.000 1.2 2
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assign (resid 20 and name HN ) (resid 21 and name HN ) 2.900 1.1 2.1
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assign (resid 25 and name HN ) (resid 25 and name HA ) 2.900 1.1 2.1
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assign (resid 28 and name HN ) (resid 27 and name HA ) 3.200 1.4 1.8
assign (resid 29 and name HN ) (resid 28 and name HB1 ) 3.000 1.2 2
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assign (resid 29 and name HN ) (resid 29 and name HA ) 3.000 1.2 2
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assign (resid 30 and name HN ) (resid 27 and name HA ) 3.000 1.2 2
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assign (resid 34 and name HA ) (resid 34 and name HD# ) 2.900 1.1 2.1
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assign (resid 34 and name HN ) (resid 34 and name HD# ) 2.900 1.1 2.1
assign (resid 34 and name HN ) (resid 35 and name HN ) 2.900 1.1 2.1
assign (resid 35 and name HE21 ) (resid 32 and name HN ) 3.000 1.2 2
assign (resid 35 and name HE21 ) (resid 35 and name HA ) 3.000 1.2 2
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assign (resid 35 and name HE22 ) (resid 33 and name HN ) 2.900 1.1 2.1
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assign (resid 35 and name HN ) (resid 35 and name HG# ) 3.000 1.2 2
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assign (resid 37 and name HN ) (resid 36 and name HA ) 2.900 1.1 2.1
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assign (resid 41 and name HN ) (resid 40 and name HB# ) 2.900 1.1 2.1
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assign (resid 43 and name HN ) (resid 46 and name HB2 ) 3.000 1.2 2
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assign (resid 46 and name HN ) (resid 45 and name HA ) 2.900 1.1 2.1
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assign (resid 47 and name HN ) (resid 46 and name HB2 ) 2.900 1.1 2.1
assign (resid 47 and name HN ) (resid 46 and name HG1 ) 3.300 1.5 1.7
assign (resid 47 and name HN ) (resid 46 and name HG2 ) 2.900 1.1 2.1
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assign (resid 48 and name HN ) (resid 48 and name HB1 ) 2.900 1.1 2.1
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assign (resid 49 and name HN ) (resid 49 and name HA ) 2.900 1.1 2.1
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assign (resid 49 and name HN ) (resid 50 and name HN ) 2.900 1.1 2.1
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assign (resid 51 and name HN ) (resid 50 and name HA ) 2.900 1.1 2.1
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assign (resid 53 and name HA ) (resid 53 and name HB1 ) 2.900 1.1 2.1
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assign (resid 53 and name HB2 ) (resid 53 and name HD2# ) 2.900 1.1 2.1
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assign (resid 53 and name HN ) (resid 53 and name HB2 ) 2.900 1.1 2.1
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assign (resid 99 and name HD22 ) (resid 99 and name HA ) 3.100 1.3 1.9
assign (resid 99 and name HN ) (resid 98 and name HA ) 2.900 1.1 2.1
assign (resid 100 and name HB# ) (resid 100 and name HD## ) 2.900 1.1 2.1
assign (resid 100 and name HD1# ) (resid 99 and name HB1 ) 3.300 1.5 1.7
assign (resid 100 and name HD2# ) (resid 100 and name HG ) 3.000 1.2 2
assign (resid 100 and name HG ) (resid 100 and name HB1 ) 3.000 1.2 2
assign (resid 100 and name HG ) (resid 99 and name HB1 ) 3.000 1.2 2
assign (resid 100 and name HN ) (resid 100 and name HD1# ) 3.400 1.6 1.6
assign (resid 100 and name HN ) (resid 100 and name HG ) 2.900 1.1 2.1
assign (resid 100 and name HN ) (resid 99 and name HB1 ) 2.900 1.1 2.1
assign (resid 100 and name HN ) (resid 99 and name HB2 ) 3.100 1.3 1.9
assign (resid 101 and name HN ) (resid 102 and name HG1 ) 3.000 1.2 2
assign (resid 103 and name HN ) (resid 103 and name HB# ) 3.100 1.3 1.9
assign (resid 103 and name HN ) (resid 103 and name HG2 ) 3.100 1.3 1.9
assign (resid 103 and name HN ) (resid 104 and name HN ) 3.200 1.4 1.8
assign (resid 104 and name HN ) (resid 104 and name HA ) 2.900 1.1 2.1
assign (resid 105 and name HA ) (resid 105 and name HB1 ) 3.200 1.4 1.8
assign (resid 105 and name HA ) (resid 105 and name HB2 ) 3.400 1.6 1.6
assign (resid 105 and name HN ) (resid 104 and name HG1 ) 2.900 1.1 2.1
assign (resid 105 and name HN ) (resid 104 and name HN ) 3.000 1.2 2
assign (resid 105 and name HN ) (resid 105 and name HA ) 2.900 1.1 2.1
assign (resid 105 and name HN ) (resid 105 and name HB2 ) 3.000 1.2 2
assign (resid 107 and name HA ) (resid 107 and name HG1 ) 2.900 1.1 2.1
assign (resid 107 and name HN ) (resid 106 and name HB# ) 3.000 1.2 2
assign (resid 107 and name HN ) (resid 107 and name HB1 ) 3.000 1.2 2
assign (resid 108 and name HA2 ) (resid 107 and name HB2 ) 4.900 1.5 1.1
assign (resid 108 and name HN ) (resid 106 and name HB# ) 2.900 1.1 2.1
assign (resid 108 and name HN ) (resid 107 and name HG1 ) 2.900 1.1 2.1
assign (resid 108 and name HN ) (resid 109 and name HN ) 3.200 1.4 1.8
assign (resid 109 and name HN ) (resid 107 and name HB2 ) 3.200 1.4 1.8
assign (resid 110 and name HN ) (resid 107 and name HB2 ) 3.000 1.2 2
assign (resid 110 and name HN ) (resid 109 and name HN ) 3.400 1.6 1.6
assign (resid 111 and name HA ) (resid 111 and name HB ) 3.100 1.3 1.9
assign (resid 111 and name HN ) (resid 111 and name HG2# ) 3.000 1.2 2
assign (resid 112 and name HA ) (resid 112 and name HB# ) 3.300 1.5 1.7
assign (resid 112 and name HN ) (resid 111 and name HG12 ) 2.900 1.1 2.1
assign (resid 112 and name HN ) (resid 113 and name HA2 ) 2.900 1.1 2.1
assign (resid 112 and name HN ) (resid 114 and name HA ) 2.900 1.1 2.1
assign (resid 114 and name HA ) (resid 114 and name HD# ) 2.900 1.1 2.1
assign (resid 114 and name HN ) (resid 112 and name HB# ) 3.100 1.3 1.9
! file 5
assign (resid 4 and name HB# ) (resid 4 and name HA ) 3.600 1.8 1.4
assign (resid 12 and name HE# ) (resid 12 and name HB1 ) 3.800 2 1.2
assign (resid 12 and name HE# ) (resid 12 and name HB2 ) 4.200 2.4 0.8
assign (resid 16 and name HE21 ) (resid 16 and name HB1 ) 3.700 1.9 1.3 
assign (resid 16 and name HE22 ) (resid 14 and name HA ) 3.700 1.9 1.3
assign (resid 17 and name HN ) (resid 17 and name HE# ) 3.500 1.7 1.5
assign (resid 18 and name HD1# ) (resid 18 and name HB2 ) 3.600 1.8 1.4
assign (resid 19 and name HN ) (resid 18 and name HD1# ) 3.800 2 1.2
assign (resid 20 and name HB1 ) (resid 49 and name HA ) 4.800 3 1.2
assign (resid 20 and name HB2 ) (resid 49 and name HA ) 4.900 3.1 1.1
assign (resid 21 and name HN ) (resid 49 and name HB2 ) 3.600 1.8 1.4
assign (resid 25 and name HA ) (resid 24 and name HB1 ) 3.500 1.7 1.5
assign (resid 25 and name HN ) (resid 24 and name HD# ) 3.600 1.8 1.4
assign (resid 29 and name HN ) (resid 29 and name HG2 ) 3.500 1.7 1.5 
assign (resid 31 and name HN ) (resid 32 and name HA ) 5.000 3 1.0 
assign (resid 35 and name HN ) (resid 34 and name HB1 ) 4.800 3 1.2
assign (resid 35 and name HN ) (resid 34 and name HB2 ) 3.900 2.1 1.1
assign (resid 35 and name HN ) (resid 34 and name HD# ) 4.400 2.6 1.6
assign (resid 39 and name HA ) (resid 38 and name HB2 ) 5.000 1.7 1.0   
assign (resid 46 and name HE# ) (resid 46 and name HG1 ) 4.000 2.2 1.0
assign (resid 50 and name HN ) (resid 47 and name HA ) 3.900 2.1 1.1
assign (resid 52 and name HA ) (resid 52 and name HG1 ) 3.600 1.8 1.4
assign (resid 53 and name HG ) (resid 50 and name HA ) 3.500 1.7 1.5
assign (resid 53 and name HN ) (resid 50 and name HA ) 4.100 2.3 1.9
assign (resid 53 and name HN ) (resid 53 and name HD1# ) 3.600 1.8 1.4
assign (resid 53 and name HN ) (resid 53 and name HD2# ) 3.600 1.8 1.4
assign (resid 54 and name HN ) (resid 50 and name HA ) 4.800 3 0.2
assign (resid 59 and name HB2 ) (resid 58 and name HB1 ) 4.400 2.6 1.6
assign (resid 60 and name HB1 ) (resid 8 and name HA ) 3.500 1.7 1.5
assign (resid 60 and name HN ) (resid 61 and name HB2 ) 4.000 2.2 1.0
assign (resid 61 and name HG# ) (resid 61 and name HD1# ) 3.500 1.7 1.5 
assign (resid 64 and name HN ) (resid 63 and name HB2 ) 3.500 1.7 1.5 
assign (resid 65 and name HN ) (resid 65 and name HD2# ) 3.800 2 1.2
assign (resid 79 and name HG# ) (resid 78 and name HA ) 4.900 3.1 1.1
assign (resid 91 and name HA ) (resid 91 and name HB# ) 3.900 2.1 1.1 
assign (resid 92 and name HG1 ) (resid 92 and name HB2 ) 3.600 1.8 1.4 
assign (resid 92 and name HG2 ) (resid 92 and name HA ) 4.100 2.3 1.9
assign (resid 92 and name HG2 ) (resid 92 and name HB1 ) 4.300 2.5 1.7
assign (resid 93 and name HA ) (resid 96 and name HB1 ) 3.600 1.8 1.4 
assign (resid 94 and name HN ) (resid 94 and name HD1# ) 3.500 1.7 1.5
assign (resid 96 and name HN ) (resid 97 and name HN ) 3.600 1.8 1.4
assign (resid 100 and name HG ) (resid 99 and name HD22 ) 3.900 2.1 1.1
assign (resid 100 and name HN ) (resid 100 and name HD2# ) 3.600 1.8 1.4
assign (resid 103 and name HA ) (resid 103 and name HG1 ) 3.600 1.8 1.4
assign (resid 111 and name HG2# ) (resid 111 and name HA ) 4.600 2.8 1.4
assign (resid 111 and name HG2# ) (resid 111 and name HB ) 4.500 2.7 1.5
!file 6
assign (resid 5 and name HN ) (resid 8 and name HB2 ) 5.600 1.8 1.4  
assign (resid 6 and name HN ) (resid 4 and name HB# ) 6.000 1.7 1.0  
assign (resid 7 and name HN ) (resid 4 and name HB# ) 5.500 2.2 1.5 
assign (resid 9 and name HN ) (resid 12 and name HB1 ) 5.900 2.2 1.1
assign (resid 9 and name HN ) (resid 12 and name HB2 ) 5.600 2.2 1.4
assign (resid 15 and name HN ) (resid 16 and name HB1 ) 5.500 2.1 1.5
assign (resid 16 and name HE21 ) (resid 14 and name HA ) 5.000 1.9 1.0 
assign (resid 16 and name HE22 ) (resid 13 and name HB2 ) 5.500 1.7 1.5
assign (resid 16 and name HE22 ) (resid 16 and name HA ) 5.300 1.8 1.7 
assign (resid 16 and name HN ) (resid 15 and name HE22 ) 5.600 2.4 1.4 
assign (resid 16 and name HN ) (resid 15 and name HG2 ) 5.800 2.4 1.2
assign (resid 16 and name HN ) (resid 52 and name HB1 ) 5.700 2.2 1.3 
assign (resid 17 and name HE# ) (resid 18 and name HD2# ) 5.200 2.6 1.8 
assign (resid 21 and name HB# ) (resid 68 and name HB# ) 5.800 2.2 1.2
assign (resid 27 and name HE21 ) (resid 26 and name HG2 ) 5.400 1.7 1.6 
assign (resid 29 and name HN ) (resid 28 and name HG1 ) 5.100 2.7 1.9
assign (resid 28 and name HN ) (resid 84 and name HG# ) 5.300 3.5 1.7
assign (resid 29 and name HN ) (resid 28 and name HG1 ) 6.000 4.2 1.0
assign (resid 29 and name HN ) (resid 30 and name HA ) 5.400 2.7 1.6
assign (resid 31 and name HN ) (resid 32 and name HA ) 5.800 4 1.2
assign (resid 35 and name HN ) (resid 34 and name HB1 ) 5.100 3.3 1.9
assign (resid 46 and name HE# ) (resid 46 and name HA ) 5.300 2.2 1.7
assign (resid 46 and name HB1 ) (resid 90 and name HD1# ) 6.00 2.3 1.0
assign (resid 54 and name HN ) (resid 50 and name HA ) 5.300 3.5 1.7
assign (resid 56 and name HN ) (resid 53 and name HD2# ) 5.900 4.1 1.1
assign (resid 57 and name HN ) (resid 7 and name HG1 ) 5.700 2.2 1.3
assign (resid 64 and name HA2 ) (resid 65 and name HG ) 5.500 1.7 1.5
assign (resid 64 and name HN ) (resid 65 and name HD1# ) 5.800 3.1 1.2
assign (resid 85 and name HA ) (resid 86 and name HG# ) 5.900 1.9 1.1
assign (resid 91 and name HB# ) (resid 92 and name HB1 ) 5.400 2.8 1.6 
assign (resid 91 and name HN ) (resid 90 and name HD2# ) 5.200 1.8 1.8 
assign (resid 91 and name HN ) (resid 92 and name HA ) 5.500 2.1 1.5
assign (resid 91 and name HB# ) (resid 90 and name HD## ) 5.700 3.9 1.3
assign (resid 93 and name HB2 ) (resid 92 and name HA ) 5.600 2.1 1.4
assign (resid 103 and name HN ) (resid 103 and name HE# ) 5.500 1.7 1.5 
assign (resid 104 and name HN ) (resid 105 and name HB1 ) 6.000 4.2 1.0
assign (resid 111 and name HG12 ) (resid 110 and name HB# ) 5.400 1.9 1.6

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