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
6501 1j5m RC 4725 cing 1-original 1 XPLOR/CNS distance NOE simple 

! strong NOE's <=2.7A  int > 5200000
assign ( resid 17 and name HN )(resid 16 and name HB1 ) 2.7 0.900 0.000
assign ( resid 9 and name HN )(resid 8 and name HB2 ) 2.7 0.900 0.000
assign ( resid 20 and name HN )(resid 20 and name HB2 ) 2.7 0.900 0.000
assign ( resid 15 and name HN )(resid 15 and name HA2 ) 2.7 0.900 0.000
assign ( resid 22 and name HN )(resid 22 and name HB2 ) 2.7 0.900 0.000
assign ( resid 28 and name HN )(resid 27 and name HB2 ) 2.7 0.900 0.000
assign ( resid 18 and name HN )(resid 18 and name HA ) 2.7 0.900 0.000
assign ( resid 27 and name HB2 )(resid 27 and name HA ) 2.7 0.900 0.000
assign ( resid 11 and name HN )(resid 11 and name HB1 ) 2.7 0.900 0.000
assign ( resid 5 and name HN )(resid 5 and name HA ) 2.7 0.900 0.000
assign ( resid 9 and name HN )(resid 9 and name HA ) 2.7 0.900 0.000
assign ( resid 23 and name HG2* )(resid 23 and name HA ) 3.2 1.600 0.000
assign ( resid 13 and name HN )(resid 14 and name HN ) 2.7 0.900 0.000
assign ( resid 18 and name HG2* )(resid 18 and name HA ) 3.2 1.600 0.000
assign ( resid 8 and name HD* )(resid 8 and name HG1 ) 2.7 0.900 0.000
assign ( resid 14 and name HN )(resid 14 and name HA2 ) 2.7 0.900 0.000
assign ( resid 21 and name HN )(resid 20 and name HA ) 2.7 0.900 0.000
assign ( resid 17 and name HN )(resid 16 and name HA ) 2.7 0.900 0.000
assign ( resid 19 and name HN )(resid 18 and name HB ) 2.7 0.900 0.000
assign ( resid 23 and name HN )(resid 22 and name HA ) 2.7 0.900 0.000
assign ( resid 17 and name HG* )(resid 18 and name HG2* ) 3.2 1.600 0.000
assign ( resid 13 and name HN )(resid 13 and name HB2 ) 2.7 0.900 0.000 ! changed from medium to strong
assign ( resid 10 and name HB1 )(resid 10 and name HA ) 2.7 0.900 0.000 ! changed from medium to strong
assign ( resid 22 and name HB1 )(resid 5 and name HB* ) 2.7 0.900 0.000 !changed back to strong

assign ( resid 16 and name HN )(resid 16 and name HB2 ) 2.700 0.900 0.000
assign ( resid 27 and name HN )(resid 27 and name HB1 ) 2.700 0.900 0.000


! medium NOE's ,<3.5A  Int >1,000,000 <5,200,000

assign ( resid 5 and name HN )(resid 4 and name HB1 ) 3.600 1.800 0.000
assign ( resid 14 and name HN )(resid 14 and name HA1 ) 3.600 1.800 0.000 ! added 05/22/2000
assign ( resid 11 and name HN )(resid 10 and name HN ) 3.600 1.800 0.000  ! changed from strong to medium
assign ( resid 6 and name HN )(resid 7 and name HN ) 3.600 1.800 0.000
assign ( resid 12 and name HN )(resid 13 and name HN ) 3.600 1.800 0.000
assign ( resid 22 and name HN )(resid 22 and name HA ) 3.600 1.800 0.000
assign ( resid 13 and name HN )(resid 13 and name HG* ) 4.300 2.50000 0.000
assign ( resid 8 and name HN )(resid 8 and name HG1 ) 3.600 1.800 0.000
assign ( resid 15 and name HN )(resid 13 and name HB1 ) 3.600 1.800 0.000
assign ( resid 14 and name HN )(resid 13 and name HA ) 3.600 1.800 0.000
assign ( resid 5 and name HN )(resid 4 and name HB2 ) 3.600 1.800 0.000
assign ( resid 21 and name HN )(resid 21 and name HA ) 3.600 1.800 0.000
assign ( resid 22 and name HA )(resid 22 and name HB2 ) 3.600 1.800 0.000
assign ( resid 4 and name HN )(resid 3 and name HD1 ) 3.600 1.800 0.000
assign ( resid 28 and name HN )(resid 27 and name HB1 ) 3.600 1.800 0.000
assign ( resid 11 and name HN )(resid 12 and name HN ) 3.600 1.800 0.000
assign ( resid 13 and name HN )(resid 13 and name HB1 ) 3.600 1.800 0.000
assign ( resid 19 and name HN )(resid 19 and name HA1 ) 3.600 1.800 0.000
assign ( resid 24 and name HA )(resid 24 and name HB1 ) 3.600 1.800 0.000
assign ( resid 19 and name HN )(resid 18 and name HG2* ) 4.100 2.300 0.000
assign ( resid 3 and name HD1 )(resid 17 and name HB1 ) 3.600 1.800 0.000 
assign ( resid 21 and name HG* )(resid 21 and name HA ) 3.600 1.800 0.000
assign ( resid 7 and name HN )(resid 7 and name HB2 ) 3.600 1.800 0.000
assign ( resid 4 and name HN )(resid 4 and name HA ) 3.600 1.800 0.000
assign ( resid 6 and name HA )(resid 6 and name HB2 ) 3.600 1.800 0.000
assign ( resid 11 and name HB1 )(resid 11 and name HA ) 3.600 1.800 0.000
assign ( resid 18 and name HA )(resid 18 and name HG2* ) 4.100 2.300 0.000
assign ( resid 28 and name HN )(resid 28 and name HA ) 3.600 1.800 0.000
assign ( resid 5 and name HN )(resid 6 and name HN ) 3.600 1.800 0.000
assign ( resid 7 and name HB2 )(resid 7 and name HA ) 3.600 1.800 0.000
assign ( resid 7 and name HN )(resid 6 and name HN ) 3.600 1.800 0.000
assign ( resid 13 and name HN )(resid 12 and name HB* ) 4.100 2.300 0.000
assign ( resid 12 and name HN )(resid 11 and name HA ) 3.600 1.800 0.000 
assign ( resid 15 and name HN )(resid 14 and name HA2 ) 3.600 1.800 0.000
assign ( resid 26 and name HN )(resid 26 and name HB2 ) 3.600 1.800 0.000
assign ( resid 12 and name HN )(resid 12 and name HA ) 3.600 1.800 0.000
assign ( resid 26 and name HN )(resid 25 and name HB1 ) 3.600 1.800 0.000
assign ( resid 26 and name HG2 )(resid 25 and name HB2 ) 3.600 1.800 0.000
assign ( resid 8 and name HN )(resid 8 and name HA ) 3.600 1.800 0.000
assign ( resid 28 and name HN )(resid 27 and name HN ) 3.600 1.800 0.000
assign ( resid 13 and name HN )(resid 13 and name HA ) 3.600 1.800 0.000
assign ( resid 12 and name HN )(resid 15 and name HA1 ) 3.600 1.800 0.000
assign ( resid 24 and name HN )(resid 24 and name HA ) 3.600 1.800 0.000
assign ( resid 24 and name HN )(resid 23 and name HN ) 3.600 1.800 0.000
assign ( resid 12 and name HN )(resid 11 and name HB2 ) 3.600 1.800 0.000
assign ( resid 8 and name HB1 )(resid 8 and name HA ) 3.600 1.800 0.000
assign ( resid 11 and name HN )(resid 11 and name HB2 ) 3.600 1.800 0.000
assign ( resid 27 and name HN )(resid 27 and name HB2 ) 3.600 1.800 0.000
assign ( resid 6 and name HN )(resid 6 and name HB1 ) 3.600 1.800 0.000
assign ( resid 15 and name HN )(resid 15 and name HA1 ) 3.600 1.800 0.000
assign ( resid 18 and name HN )(resid 17 and name HB1 ) 3.600 1.800 0.000
assign ( resid 6 and name HN )(resid 6 and name HA ) 3.600 1.800 0.000
assign ( resid 5 and name HB* )(resid 5 and name HA ) 3.600 1.800 0.000
assign ( resid 14 and name HN )(resid 15 and name HN ) 3.600 1.800 0.000
assign ( resid 20 and name HN )(resid 20 and name HA ) 3.600 1.800 0.000
assign ( resid 21 and name HN )(resid 22 and name HN ) 3.600 1.800 0.000
assign ( resid 23 and name HN )(resid 23 and name HA ) 3.600 1.800 0.000
assign ( resid 10 and name HG1 )(resid 10 and name HA ) 3.600 1.800 0.000
assign ( resid 20 and name HN )(resid 19 and name HN ) 3.600 1.800 0.000
assign ( resid 22 and name HN )(resid 22 and name HB1 ) 3.600 1.800 0.000
assign ( resid 11 and name HN )(resid 11 and name HA ) 3.600 1.800 0.000
assign ( resid 10 and name HN )(resid 10 and name HG2 ) 3.600 1.800 0.000
assign ( resid 24 and name HN )(resid 24 and name HB2 ) 3.600 1.800 0.000
assign ( resid 23 and name HN )(resid 23 and name HG2* ) 4.100 2.300 0.000
assign ( resid 6 and name HN )(resid 5 and name HA ) 3.600 1.800 0.000
assign ( resid 24 and name HN )(resid 25 and name HN ) 3.600 1.800 0.000
assign ( resid 16 and name HN )(resid 15 and name HN ) 3.600 1.800 0.000
assign ( resid 8 and name HD* )(resid 8 and name HE* ) 3.600 1.800 0.000
assign ( resid 12 and name HN )(resid 12 and name HB* ) 4.100 2.300 0.000
assign ( resid 20 and name HN )(resid 20 and name HB1 ) 3.600 1.800 0.000
assign ( resid 9 and name HN )(resid 9 and name HB2 ) 3.600 1.800 0.000
assign ( resid 9 and name HN )(resid 9 and name HB1 ) 3.600 1.800 0.000
assign ( resid 5 and name HN )(resid 4 and name HA ) 3.600 1.800 0.000
assign ( resid 28 and name HN )(resid 28 and name HB* ) 4.100 2.300 0.000
assign ( resid 6 and name HN )(resid 6 and name HG* ) 3.600 1.800 0.000
assign ( resid 16 and name HB1 )(resid 16 and name HA ) 3.600 1.800 0.000
assign ( resid 21 and name HN )(resid 21 and name HG* ) 4.300 2.500 0.000
assign ( resid 17 and name HN )(resid 17 and name HB2 ) 3.600 2.500 0.000
assign ( resid 6 and name HN )(resid 6 and name HB2 ) 3.600 1.800 0.000
assign ( resid 19 and name HN )(resid 19 and name HA2 ) 3.600 1.800 0.000
assign ( resid 8 and name HN )(resid 7 and name HN ) 3.600 1.800 0.000
assign ( resid 16 and name HN )(resid 16 and name HB1 ) 3.600 1.800 0.000
assign ( resid 17  and name HN )(resid 16 and name HB2 ) 3.600 1.800 0.000

! weak NOE's  <=4.5A  Int < 1000000
assign ( resid 15 and name HN )(resid 14 and name HA1 ) 4.500 2.700 0.000 ! added May 23 2000
assign ( resid 25 and name HN )(resid 24 and name HB1 ) 4.500 2.700 0.000
assign ( resid 24 and name HN )(resid 22 and name HB2 ) 4.500 2.700 0.000
assign ( resid 25 and name HN )(resid 25 and name HB1 ) 4.500 2.700 0.000
assign ( resid 22 and name HN )(resid 5 and name HB* ) 4.500 3.500 0.000
assign ( resid 10 and name HN )(resid 11 and name HB2 ) 4.500 2.700 0.000
assign ( resid 23 and name HN )(resid 22 and name HB1 ) 4.500 2.700 0.000
assign ( resid 21 and name HN )(resid 22 and name HB2 ) 4.500 2.700 0.000
assign ( resid 20 and name HN )(resid 17 and name HB1 ) 4.500 2.700 0.000
assign ( resid 24 and name HN )(resid 22 and name HB1 ) 4.500 2.700 0.000
assign ( resid 4 and name HN )(resid 4 and name HB1 ) 4.500 2.700 0.000
assign ( resid 23 and name HN )(resid 22 and name HB2 ) 4.500 2.700 0.000
assign ( resid 20 and name HN )(resid 19 and name HA1 ) 4.500 2.700 0.000
assign ( resid 5 and name HN )(resid 5 and name HB* ) 4.500 3.500 0.000
assign ( resid 18 and name HN )(resid 18 and name HG2* ) 5.000 3.200 0.000
assign ( resid 21 and name HN )(resid 22 and name HA ) 4.500 2.700 0.000
assign ( resid 16 and name HN )(resid 15 and name HA2 ) 4.500 2.700 0.000
assign ( resid 22 and name HN )(resid 21 and name HG* ) 4.500 2.700 0.000
assign ( resid 15 and name HN )(resid 13 and name HG* ) 4.500 2.700 0.000
assign ( resid 4 and name HN )(resid 3 and name HD2 ) 4.500 2.700 0.000
assign ( resid 8 and name HN )(resid 5 and name HA ) 4.500 2.700 0.000
assign ( resid 17 and name HN )(resid 20 and name HB1 ) 4.500 2.700 0.000
assign ( resid 18 and name HN )(resid 17 and name HB2 ) 4.500 3.500 0.000
assign ( resid 4 and name HN )(resid 4 and name HB2 ) 4.500 2.700 0.000
assign ( resid 14 and name HN )(resid 13 and name HB2 ) 4.500 2.700 0.000
assign ( resid 8 and name HG2 )(resid 8 and name HE* ) 4.500 2.700 0.000
assign ( resid 8 and name HN )(resid 8 and name HG2 ) 4.500 2.700 0.000
assign ( resid 24 and name HN )(resid 22 and name HA ) 4.500 2.700 0.000
assign ( resid 21 and name HN )(resid 22 and name HB2 ) 4.500 2.700 0.000
assign ( resid 7 and name HN )(resid 7 and name HB1 ) 4.500 2.700 0.000
assign ( resid 25 and name HN )(resid 24 and name HB2 ) 4.500 2.700 0.000
assign ( resid 8 and name HN )(resid 8 and name HB1 ) 4.500 2.700 0.000
assign ( resid 12 and name HN )(resid 11 and name HB1 ) 4.500 2.700 0.000
assign ( resid 8 and name HN )(resid 6 and name HN ) 4.500 2.700 0.000
assign ( resid 13 and name HN )(resid 10 and name HA ) 4.500 2.700 0.000
assign ( resid 22 and name HB2 )(resid 22 and name HA ) 4.500 2.700 0.000
assign ( resid 17 and name HN )(resid 17 and name HD* ) 4.500 2.700 0.000
assign ( resid 21 and name HN )(resid 21 and name HB1 ) 4.500 2.700 0.000
assign ( resid 8 and name HN )(resid 7 and name HB1 ) 4.500 2.700 0.000
assign ( resid 8 and name HN )(resid 7 and name HB2 ) 4.500 2.700 0.000
assign ( resid 15 and name HN )(resid 11 and name HA ) 4.500 2.700 0.000
assign ( resid 17 and name HN )(resid 17 and name HB1 ) 4.500 2.700 0.000
assign ( resid 20 and name HN )(resid 19 and name HA2 ) 4.500 2.700 0.000
assign ( resid 25 and name HN )(resid 25 and name HB2 ) 4.500 2.700 0.000
assign ( resid 8 and name HN )(resid 7 and name HA ) 4.500 2.700 0.000
assign ( resid 5 and name HN )(resid 10 and name HG1 ) 4.500 2.700 0.000
assign ( resid 26 and name HN )(resid 25 and name HB2 ) 4.500 2.700 0.000
assign ( resid 16 and name HN )(resid 14 and name HA2 ) 4.500 2.700 0.000 ! retintroduced 5/23 2000
assign ( resid 9 and name HN )(resid 8 and name HB1 ) 4.500 2.700 0.000
assign ( resid 22 and name HN )(resid 21 and name HA ) 4.500 2.700 0.000
assign ( resid 22 and name HA )(resid 23 and name HN ) 4.500 2.700 0.000
assign ( resid 12 and name HB* )(resid 12 and name HA ) 5.0 2.700 0.000
assign ( resid 24 and name HB2 )(resid 24 and name HA ) 4.500 2.700 0.000
assign ( resid 10 and name HN )(resid 10 and name HG1 ) 4.500 2.700 0.000
assign ( resid 8 and name HN )(resid 8 and name HB2 ) 4.500 2.700 0.000
assign ( resid 22 and name HA )(resid 22 and name HB1 ) 4.500 2.700 0.000
assign ( resid 7 and name HA )(resid 7 and name HB2 ) 4.500 2.700 0.000
assign ( resid 14 and name HN )(resid 16 and name HN ) 4.500 2.700 0.000
assign ( resid 24 and name HN )(resid 24 and name HB1 ) 4.500 2.700 0.000
assign ( resid 15 and name HN )(resid 13 and name HB2 ) 4.500 2.700 0.000
assign ( resid 24 and name HB1 )(resid 24 and name HA ) 4.500 2.700 0.000
assign ( resid 13 and name HN )(resid 12 and name HA ) 4.500 2.700 0.000
assign ( resid 22 and name HN )(resid 20 and name HA ) 4.500 2.700 0.000
assign ( resid 6 and name HB1 )(resid 6 and name HA ) 4.500 2.700 0.000
assign ( resid 4 and name HN )(resid 3 and name HA ) 4.500 2.700 0.000
assign ( resid 26 and name HG1 )(resid 25 and name HB2 ) 4.500 2.700 0.000
assign ( resid 25 and name HN )(resid 24 and name HA ) 4.500 2.700 0.000
assign ( resid 6 and name HA )(resid 6 and name HB1 ) 4.500 2.700 0.000
assign ( resid 21 and name HN )(resid 21 and name HD* ) 4.500 2.700 0.000
assign ( resid 5 and name HA )(resid 5 and name HB* ) 4.500 2.700 0.000
assign ( resid 5 and name HN )(resid 10 and name HG2 ) 4.500 2.700 0.000
assign ( resid 26 and name HN )(resid 26 and name HB1 ) 4.500 2.700 0.000
assign ( resid 18 and name HN )(resid 16 and name HB1 ) 4.500 2.700 0.000
assign ( resid 5 and name HB* )(resid 22 and name HA ) 4.500 2.700 0.000
assign ( resid 26 and name HB1 )(resid 25 and name HA ) 4.500 2.700 0.000
assign ( resid 27 and name HB1 )(resid 27 and name HA ) 4.500 2.700 0.000

! removed NOE's to 3 HG* due to ambiguity
assign ( resid 20 and name HN )(resid 18 and name HG2* ) 6.300 4.500 0.000
assign ( resid 24 and name HN )(resid 23 and name HG2* ) 6.300 4.500 0.000
assign ( resid 5 and name HN )(resid 6 and name HG* ) 5.800 4.000 0.000
assign ( resid 5 and name HN )(resid 6 and name HB2 ) 5.800 4.000 0.000
assign ( resid 5 and name HN )(resid 6 and name HA ) 5.800 4.000 0.000
assign ( resid 5 and name HN )(resid 16 and name HA ) 5.800 4.000 0.000
assign ( resid 22 and name HN )(resid 21 and name HD* ) 5.800 4.000 0.000
assign ( resid 22 and name HN )(resid 21 and name HB1 ) 5.800 4.000 0.000
assign ( resid 22 and name HN )(resid 3 and name HD1 ) 5.800 4.000 0.000
assign ( resid 23 and name HN )(resid 24 and name HB2 ) 5.800 4.000 0.000
assign ( resid 12 and name HN )(resid 13 and name HB1 ) 5.800 4.000 0.000
assign ( resid 12 and name HN )(resid 10 and name HG1 ) 5.800 4.000 0.000
assign ( resid 9 and name HN )(resid 8 and name HG2 ) 5.800 4.000 0.000
assign ( resid 9 and name HN )(resid 8 and name HG1 ) 5.800 4.000 0.000
assign ( resid 10 and name HN )(resid 11 and name HB1 ) 5.800 4.000 0.000
assign ( resid 10 and name HN )(resid 5 and name HB* ) 5.800 4.000 0.000
assign ( resid 6 and name HN )(resid 7 and name HB2 ) 5.800 4.000 0.000
assign ( resid 6 and name HN )(resid 4 and name HB1 ) 5.800 4.000 0.000
assign ( resid 6 and name HN )(resid 5 and name HB* ) 5.800 4.000 0.000
assign ( resid 27 and name HN )(resid 26 and name HD* ) 5.800 4.000 0.000
assign ( resid 27 and name HN )(resid 26 and name HB1 ) 5.800 4.000 0.000
assign ( resid 27 and name HN )(resid 26 and name HG2 ) 5.800 4.000 0.000
assign ( resid 11 and name HN )(resid 25 and name HB2 ) 5.800 4.000 0.000
assign ( resid 11 and name HN )(resid 25 and name HB1 ) 5.800 4.000 0.000
assign ( resid 11 and name HN )(resid 12 and name HB* ) 6.300 4.500 0.000
assign ( resid 14 and name HN )(resid 12 and name HB* ) 6.300 4.500 0.000
assign ( resid 14 and name HN )(resid 13 and name HB1 ) 5.800 4.000 0.000
assign ( resid 14 and name HN )(resid 13 and name HG* ) 5.800 4.000 0.000
assign ( resid 14 and name HN )(resid 15 and name HA2 ) 5.800 4.000 0.000
assign ( resid 8 and name HN )(resid 8 and name HD* ) 5.800 4.000 0.000
assign ( resid 8 and name HN )(resid 9 and name HB2 ) 5.800 4.000 0.000
assign ( resid 8 and name HN )(resid 5 and name HB* ) 5.800 4.000 0.000
assign ( resid 13 and name HN )(resid 11 and name HB2 ) 5.800 4.000 0.000
assign ( resid 8 and name HN )(resid 6 and name HA ) 5.800 4.000 0.000
assign ( resid 4 and name HN )(resid 6 and name HG* ) 5.800 4.000 0.000
assign ( resid 4 and name HN )(resid 6 and name HB2 ) 5.800 4.000 0.000
assign ( resid 4 and name HN )(resid 20 and name HA ) 5.800 4.000 0.000
assign ( resid 25 and name HN )(resid 23 and name HG2* ) 6.300 4.500 0.000
assign ( resid 25 and name HN )(resid 22 and name HB1 ) 5.800 4.000 0.000
assign ( resid 25 and name HN )(resid 22 and name HA ) 5.800 4.000 0.000
assign ( resid 20 and name HN )(resid 17 and name HB2 ) 5.800 4.000 0.000
assign ( resid 20 and name HN )(resid 3 and name HD1 ) 5.800 4.000 0.000
assign ( resid 20 and name HN )(resid 21 and name HN ) 5.800 4.000 0.000
assign ( resid 25 and name HN )(resid 23 and name HN ) 5.800 4.000 0.000
assign ( resid 25 and name HN )(resid 26 and name HN ) 5.800 4.000 0.000
assign ( resid 4 and name HN )(resid 6 and name HN ) 5.800 4.000 0.000
assign ( resid 4 and name HN )(resid 17 and name HN ) 5.800 4.000 0.000
assign ( resid 4 and name HN )(resid 21 and name HN ) 5.800 4.000 0.000
assign ( resid 4 and name HN )(resid 5 and name HN ) 5.800 4.000 0.000
assign ( resid 8 and name HN )(resid 5 and name HN ) 5.800 4.000 0.000
assign ( resid 13 and name HN )(resid 15 and name HN ) 5.800 4.000 0.000
assign ( resid 14 and name HN )(resid 12 and name HN ) 5.800 4.000 0.000
assign ( resid 16 and name HN )(resid 14 and name HN ) 5.800 4.000 0.000
assign ( resid 18 and name HN )(resid 19 and name HN ) 5.800 4.000 0.000
assign ( resid 16 and name HN )(resid 17 and name HN ) 5.800 4.000 0.000
assign ( resid 10 and name HN )(resid 5 and name HN ) 5.800 4.000 0.000
assign ( resid 23 and name HN )(resid 22 and name HN ) 5.800 4.000 0.000
assign ( resid 21 and name HN )(resid 5 and name HB* ) 5.800 4.000 0.000
assign ( resid 14 and name HN )(resid 11 and name HA ) 5.800 4.000 0.000
assign ( resid 25 and name HN )(resid 22 and name HB2 ) 5.800 4.000 0.000
assign ( resid 20 and name HN )(resid 17 and name HB1 ) 5.800 4.000 0.000
assign ( resid 10 and name HG1 )(resid 8 and name HG2 ) 5.800 4.000 0.000
assign ( resid 10 and name HG1 )(resid 15 and name HA2 ) 5.800 4.000 0.000
assign ( resid 18 and name HG2* )(resid  19 and name HA2 ) 6.300 4.500 0.000
assign ( resid 20 and name HN )(resid  22 and name HN ) 5.800 4.000 0.000
assign ( resid 6 and name HA )(resid 7 and name HB1 ) 5.800 4.000 0.000

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