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
6497 1j5l RC 4754 cing 1-original 1 XPLOR/CNS distance NOE simple


!NOE distant restraints

! very strong NOE 2.7 0.9 0.0
! strong      NOE 3.2 1.4 0.0
! medium      NOE 3.6 1.8 0.0
! weak        NOE 4.5 2.7 0.0
! very weak   NOE 5.5 3.7 0.0
 
assign ( resid 11 and name HG* )(resid 11 and name HD* ) 2.7 0.9 0.000
assign ( resid 24 and name HG1 )(resid 24 and name HD* ) 2.7 0.9 0.000
assign ( resid 23 and name HB2 )(resid 24 and name HD2 ) 2.7 0.9 0.000
assign ( resid 3 and name HN )(resid 3 and name HA ) 2.7 0.9 0.000
assign ( resid 5 and name HB1 )(resid 5 and name HA ) 2.7 0.9 0.000
assign ( resid 19 and name HB* )(resid 19 and name HA ) 3.6 1.8 0.000
assign ( resid 26 and name HN )(resid 25 and name HA ) 2.7 0.9 0.000
assign ( resid 31 and name HN )(resid 30 and name HA ) 2.7 0.9 0.000
assign ( resid 11 and name HN )(resid 10 and name HA ) 2.7 0.9 0.000
assign ( resid 5 and name HB2 )(resid 4 and name HB1 ) 2.7 0.9 0.000
assign ( resid 4 and name HB2 )(resid 4 and name HA ) 2.7 0.9 0.000
assign ( resid 21 and name HN )(resid 20 and name HN ) 2.7 0.9 0.000
assign ( resid 12 and name HN )(resid 11 and name HN ) 2.7 0.9 0.000
assign ( resid 29 and name HN )(resid 29 and name HB1 ) 3.2 1.4 0.000
assign ( resid 5 and name HB1 )(resid 21 and name HG2* ) 3.7 1.9 0.000
assign ( resid 17 and name HB* )(resid 17 and name HA ) 3.2 1.4 0.000
assign ( resid 30 and name HD2 )(resid 29 and name HB2 ) 3.2 1.4 0.000 
assign ( resid 19 and name HN )(resid 19 and name HB* ) 3.7 1.9 0.000
assign ( resid 22 and name HN )(resid 21 and name HN ) 3.2 1.4 0.000
assign ( resid 26 and name HN )(resid 26 and name HB1 ) 3.2 1.4 0.000
assign ( resid 21 and name HN )(resid 21 and name HB ) 3.2 1.4 0.000
assign ( resid 17 and name HN )(resid 17 and name HB* ) 3.2 1.4 0.000
assign ( resid 12 and name HN )(resid 12 and name HB1 ) 3.2 1.4 0.000
assign ( resid 18 and name HN )(resid 18 and name HB1 ) 3.2 1.4 0.000
assign ( resid 17 and name HG2 )(resid 17 and name HA ) 3.2 1.4 0.000
assign ( resid 18 and name HN )(resid 18 and name HB2 ) 3.2 1.4 0.000
assign ( resid 10 and name HB* )(resid 10 and name HA ) 3.2 1.4 0.000
assign ( resid 20 and name HG1 )(resid 20 and name HB1 ) 3.2 1.4 0.000
assign ( resid 30 and name HD2 )(resid 29 and name HA ) 3.2 1.4 0.000
assign ( resid 6 and name HN )(resid 6 and name HB1 ) 3.2 1.4 0.000
assign ( resid 5 and name HN )(resid 5 and name HB1 ) 3.2 1.4 0.000
assign ( resid 6 and name HN )(resid 5 and name HN ) 3.2 1.4 0.000
assign ( resid 20 and name HN )(resid 20 and name HG1 ) 3.2 1.4 0.000
assign ( resid 10 and name HN )(resid 9 and name HA2 ) 3.2 1.4 0.000
assign ( resid 22 and name HN )(resid 21 and name HB ) 3.2 1.4 0.000
assign ( resid 20 and name HN )(resid 20 and name HB2 ) 3.2 1.4 0.000
assign ( resid 17 and name HN )(resid 18 and name HN ) 3.2 1.4 0.000


assign ( resid 10 and name HN )(resid 10 and name HB* ) 3.6 1.8 0.000
assign ( resid 9 and name HN )(resid 9 and name HA1 ) 3.6 1.8 0.000
assign ( resid 19 and name HN )(resid 18 and name HB2 ) 3.6 1.8 0.000
assign ( resid 29 and name HN )(resid 28 and name HN ) 3.6 1.8 0.000
assign ( resid 9 and name HN )(resid 9 and name HA2 ) 3.6 1.8 0.000
assign ( resid 3 and name HN )(resid 3 and name HB2 ) 3.6 1.8 0.000
assign ( resid 7 and name HN )(resid 6 and name HN ) 3.6 1.8 0.000
assign ( resid 22 and name HN )(resid 22 and name HB1 ) 3.6 1.8 0.000
assign ( resid 24 and name HN )(resid 24 and name HA ) 3.6 1.8 0.000
assign ( resid 7 and name HN )(resid 7 and name HB ) 3.6 1.8 0.000
assign ( resid 17 and name HN )(resid 17 and name HG2 ) 3.6 1.8 0.000
assign ( resid 20 and name HN )(resid 19 and name HN ) 3.6 1.8 0.000
assign ( resid 22 and name HB1 )(resid 22 and name HA ) 3.6 1.8 0.000
assign ( resid 19 and name HN )(resid 19 and name HA ) 3.6 1.8 0.000
assign ( resid 11 and name HN )(resid 11 and name HB2 ) 3.6 1.8 0.000
assign ( resid 14 and name HN )(resid 14 and name HA ) 3.6 1.8 0.000
assign ( resid 17 and name HN )(resid 16 and name HB* ) 3.6 1.8 0.000
assign ( resid 20 and name HN )(resid 19 and name HA ) 3.6 1.8 0.000
assign ( resid 28 and name HN )(resid 28 and name HB* ) 4.1 2.3 0.000 ! added 0.5 A pseudoatom correction 09/15/2000
assign ( resid 12 and name HN )(resid 12 and name HA ) 3.6 1.8 0.000
assign ( resid 7 and name HA )(resid 7 and name HB ) 3.6 1.8 0.000
assign ( resid 6 and name HB1 )(resid 2 and name HB* ) 3.6 1.8 0.000
assign ( resid 19 and name HN )(resid 18 and name HN ) 3.6 1.8 0.000
assign ( resid 29 and name HB2 )(resid 29 and name HA ) 3.6 1.8 0.000
assign ( resid 11 and name HN )(resid 11 and name HA ) 3.6 1.8 0.000
assign ( resid 18 and name HN )(resid 18 and name HA ) 3.6 1.8 0.000
assign ( resid 14 and name HN )(resid 13 and name HB* ) 3.6 1.8 0.000 
assign ( resid 27 and name HN )(resid 27 and name HA ) 3.6 1.8 0.000
assign ( resid 7 and name HN )(resid 7 and name HA ) 3.6 1.8 0.000
assign ( resid 16 and name HN )(resid 16 and name HB* ) 3.6 1.8 0.000
assign ( resid 17 and name HN )(resid 17 and name HA ) 3.6 1.8 0.000
assign ( resid 31 and name HN )(resid 31 and name HA ) 3.6 1.8 0.000
assign ( resid 7 and name HG2* )(resid 7 and name HA ) 4.1 2.3 0.000
assign ( resid 18 and name HN )(resid 17 and name HB* ) 3.6 1.8 0.000
assign ( resid 5 and name HN )(resid 5 and name HG* ) 3.6 1.8 0.000
assign ( resid 31 and name HN )(resid 31 and name HG2* ) 4.1 2.3 0.000
assign ( resid 15 and name HN )(resid 15 and name HB* ) 3.6 1.8 0.000
assign ( resid 4 and name HN )(resid 3 and name HA ) 3.6 1.8 0.000
assign ( resid 24 and name HN )(resid 22 and name HB2 ) 3.6 1.8 0.000
assign ( resid 31 and name HB )(resid 31 and name HG2* ) 4.1 2.3 0.000
assign ( resid 18 and name HN )(resid 17 and name HA ) 3.6 1.8 0.000
assign ( resid 14 and name HN )(resid 13 and name HA ) 3.6 1.8 0.000
assign ( resid 22 and name HN )(resid 22 and name HA ) 3.6 1.8 0.000
assign ( resid 5 and name HN )(resid 5 and name HA ) 3.6 1.8 0.000
assign ( resid 26 and name HN )(resid 26 and name HB2 ) 3.6 1.8 0.000
assign ( resid 4 and name HN )(resid 3 and name HB1 ) 3.6 1.8 0.000
assign ( resid 10 and name HN )(resid 10 and name HA ) 3.6 1.8 0.000
assign ( resid 7 and name HN )(resid 7 and name HG2* ) 4.1 2.3 0.000
assign ( resid 10 and name HN )(resid 9 and name HA1 ) 3.6 1.8 0.000
assign ( resid 4 and name HN )(resid 4 and name HB2 ) 3.6 1.8 0.000
assign ( resid 3 and name HN )(resid 3 and name HB1 ) 3.6 1.8 0.000
assign ( resid 28 and name HN )(resid 28 and name HA ) 3.6 1.8 0.000
assign ( resid 18 and name HN )(resid 17 and name HG2 ) 3.6 1.8 0.000
assign ( resid 18 and name HB1 )(resid 12 and name HB2 ) 3.6 1.8 0.000


!!!assign ( resid 24 and name HN )(resid 25 and name HA ) 4.500 2.7 0.000

assign ( resid 5 and name HN )(resid 5 and name HD* ) 5.000 3.2 0.000
assign ( resid 5 and name HN )(resid 4 and name HB2 ) 4.500 2.7 0.000
assign ( resid 3 and name HN )(resid 2 and name HB* ) 5.000 3.2 0.000
assign ( resid 3 and name HN )(resid 6 and name HB1 ) 4.500 2.7 0.000
assign ( resid 5 and name HN )(resid 4 and name HA ) 4.500 2.7 0.000
assign ( resid 11 and name HN )(resid 11 and name HB1 ) 4.500 2.7 0.000
assign ( resid 15 and name HN )(resid 15 and name HA ) 4.500 2.7 0.000
assign ( resid 12 and name HN )(resid 12 and name HB2 ) 4.500 2.7 0.000
assign ( resid 22 and name HN )(resid 22 and name HB2 ) 4.500 2.7 0.000
assign ( resid 22 and name HN )(resid 21 and name HG2* ) 5.000 3.2 0.000
assign ( resid 18 and name HN )(resid 12 and name HB2 ) 4.500 2.7 0.000
assign ( resid 26 and name HN )(resid 25 and name HB1 ) 4.500 2.7 0.000 
assign ( resid 16 and name HN )(resid 16 and name HA ) 4.500 2.7 0.000
assign ( resid 6 and name HN )(resid 5 and name HB1 ) 4.500 2.7 0.000
assign ( resid 6 and name HN )(resid 6 and name HB2 ) 4.500 2.7 0.000
assign ( resid 6 and name HN )(resid 6 and name HA ) 4.500 2.7 0.000
assign ( resid 28 and name HN )(resid 26 and name HB2 ) 4.500 2.7 0.000
assign ( resid 28 and name HN )(resid 26 and name HB1 ) 4.500 2.7 0.000
assign ( resid 21 and name HN )(resid 20 and name HA ) 4.500 2.7 0.000
assign ( resid 31 and name HN )(resid 30 and name HG1 ) 4.500 2.7 0.000 
assign ( resid 31 and name HN )(resid 30 and name HB1 ) 4.500 2.7 0.000 
assign ( resid 31 and name HN )(resid 29 and name HA ) 4.500 2.7 0.000
assign ( resid 19 and name HN )(resid 18 and name HA ) 4.500 2.7 0.000
assign ( resid 19 and name HN )(resid 18 and name HB1 ) 4.500 2.7 0.000
assign ( resid 24 and name HN )(resid 22 and name HB1 ) 4.500 2.7 0.000
assign ( resid 29 and name HN )(resid 29 and name HB2 ) 4.500 2.7 0.000
assign ( resid 29 and name HN )(resid 28 and name HA ) 4.500 2.7 0.000
assign ( resid 9 and name HN )(resid 8 and name HA ) 4.500 2.7 0.000
assign ( resid 20 and name HN )(resid 17 and name HA ) 4.500 2.7 0.000
assign ( resid 14 and name HN )(resid 14 and name HB2 ) 4.500 2.7 0.000
assign ( resid 14 and name HN )(resid 12 and name HB2 ) 4.500 2.7 0.000
assign ( resid 14 and name HN )(resid 17 and name HG2 ) 4.500 2.7 0.000
assign ( resid 14 and name HN )(resid 13 and name HG2 ) 5.000 3.2 0.000 
assign ( resid 20 and name HN )(resid 20 and name HB1 ) 4.500 2.7 0.000
assign ( resid 16 and name HA )(resid 19 and name HB* ) 5.000 3.2 0.000
assign ( resid 25 and name HD2 )(resid 24 and name HA ) 4.500 2.7 0.000
assign ( resid 22 and name HB1 )(resid 24 and name HB1 ) 5.500 3.7 0.000 !!! changed from 4.5 A
assign ( resid 16 and name HB* )(resid 16 and name HA ) 5.000 3.2 0.000 
assign ( resid 20 and name HB1 )(resid 21 and name HB ) 4.500 2.7 0.000
assign ( resid 30 and name HG2 )(resid 29 and name HB1 ) 4.500 2.7 0.000 
assign ( resid 3 and name HN )(resid 6 and name HN ) 4.500 2.7 0.000
assign ( resid 16 and name HN )(resid 17 and name HN ) 4.500 2.7 0.000
assign ( resid 17 and name HN )(resid 14 and name HN ) 4.500 2.7 0.000
assign ( resid 12 and name HN )(resid 10 and name HA ) 4.500 2.7 0.000
assign ( resid 23 and name HN )(resid 23 and name HB2 ) 5.500 3.7 0.000
assign ( resid 3 and name HN )(resid 26 and name HB2 ) 5.500 3.7 0.000
assign ( resid 4 and name HN )(resid 4 and name HA ) 5.500 3.7 0.000
assign ( resid 4 and name HN )(resid 3 and name HB2 ) 5.500 3.7 0.000
assign ( resid 11 and name HN )(resid 10 and name HB* ) 6.000 4.2 0.000
assign ( resid 22 and name HN )(resid 18 and name HA ) 5.500 3.7 0.000
assign ( resid 18 and name HN )(resid 16 and name HA ) 5.500 3.7 0.000
assign ( resid 18 and name HN )(resid 19 and name HB* ) 6.000 4.2 0.000
assign ( resid 26 and name HN )(resid 25 and name HB2 ) 5.500 3.7 0.000 
assign ( resid 26 and name HN )(resid 24 and name HB1 ) 5.500 3.7 0.000 
assign ( resid 16 and name HN )(resid 14 and name HB1 ) 5.500 3.7 0.000
assign ( resid 16 and name HN )(resid 17 and name HB* ) 6.000 4.2 0.000
assign ( resid 28 and name HN )(resid 27 and name HB1 ) 5.500 3.7 0.000
assign ( resid 21 and name HN )(resid 18 and name HA ) 5.500 3.7 0.000
assign ( resid 21 and name HN )(resid 20 and name HB2 ) 5.500 3.7 0.000
assign ( resid 6 and name HN )(resid 5 and name HA ) 5.500 3.7 0.000
assign ( resid 31 and name HN )(resid 31 and name HB ) 5.500 3.7 0.000
assign ( resid 7 and name HN )(resid 6 and name HA ) 5.500 3.7 0.000
assign ( resid 7 and name HN )(resid 4 and name HA ) 5.500 3.7 0.000
assign ( resid 7 and name HN )(resid 6 and name HB1 ) 5.500 3.7 0.000
assign ( resid 17 and name HN )(resid 16 and name HA ) 5.500 3.7 0.000
assign ( resid 24 and name HN )(resid 26 and name HB1 ) 5.500 3.7 0.000
assign ( resid 24 and name HN )(resid 24 and name HG1 ) 5.500 3.7 0.000
assign ( resid 29 and name HN )(resid 30 and name HD1 ) 5.500 3.7 0.000
assign ( resid 29 and name HN )(resid 26 and name HB1 ) 5.500 3.7 0.000
assign ( resid 9 and name HN )(resid 10 and name HA ) 5.500 3.7 0.000
assign ( resid 14 and name HN )(resid 13 and name HG1 ) 5.500 3.7 0.000 
assign ( resid 14 and name HN )(resid 15 and name HA ) 5.500 3.7 0.000
assign ( resid 17 and name HA )(resid 18 and name HB1 ) 5.500 3.7 0.000
assign ( resid 7 and name HA )(resid 2 and name HG* ) 6.000 4.2 0.000
assign ( resid 30 and name HD1 )(resid 12 and name HB1 ) 5.500 3.7 0.000 
assign ( resid 18 and name HB1 )(resid 13 and name HG* ) 5.500 3.7 0.000
assign ( resid 22 and name HB1 )(resid 25 and name HA ) 5.500 3.7 0.000
assign ( resid 17 and name HG1 )(resid 17 and name HA ) 5.500 3.7 0.000
assign ( resid 4 and name HB1 )(resid 4 and name HA ) 5.500 3.7 0.000
assign ( resid 12 and name HB2 )(resid 30 and name HD1 ) 5.500 3.7 0.000
assign ( resid 5 and name HB2 )(resid 5 and name HA ) 5.500 3.7 0.000
assign ( resid 30 and name HG1 )(resid 31 and name HA ) 5.500 3.7 0.000 
assign ( resid 20 and name HD1 )(resid 17  and name HA ) 5.500 3.7 0.000 
assign ( resid 21 and name HG2* )(resid 18 and name HA ) 6.000 4.2 0.000
assign ( resid 14 and name HN )(resid 18 and name HN ) 5.500 3.7 0.000
assign ( resid 17 and name HA )(resid 18 and name HB2 ) 5.500 3.7 0.000
assign ( resid 3 and name HB1 )(resid 4 and name HB1 ) 5.500 3.7 0.000
assign ( resid 5 and name HB2 )(resid 6 and name HA ) 5.500 3.7 0.000
assign ( resid 30 and name HG1 )(resid 14 and name HA ) 5.500 3.7 0.000
assign ( resid 24 and name HB* )(resid 23 and name HA ) 5.500 3.7 0.000
assign ( resid 21 and name HG2* )(resid 22 and name HA ) 6.000 4.2 0.000
assign ( resid 20 and name HN )(resid 22 and name HN ) 5.500 3.7 0.000
assign ( resid 29 and name HN )(resid 27 and name HN ) 5.500 3.7 0.000 
assign ( resid 4 and name HN )(resid 5 and name HN ) 5.500 3.7 0.000
assign ( resid 18 and name HB2 )(resid 12 and name HB2 ) 5.500 3.7 0.000


assign (resid 22 and name HA)  (resid 22 and name HB2)    2.70    0.90    0.00    !!strong:noed2o_10
assign (resid 24 and name HA)  (resid 25 and name HD1)    2.70    0.90    0.00    !!strong:noed2o_10
assign (resid 18 and name HA)  (resid 18 and name HB1)    2.70    0.90    0.00    !!strong:noed2o_10
assign (resid  3 and name HA)  (resid  3 and name HB1)    2.70    0.90    0.00    !!strong:noed2o_10
assign (resid  3 and name HA)  (resid  3 and name HB2)    2.70    0.90    0.00    !!strong:noed2o_10
assign (resid 12 and name HA)  (resid 13 and name HD1)    2.70    0.90    0.00    !!strong:noed2o_10
assign (resid 12 and name HA)  (resid 12 and name HB2)    2.70    0.90    0.00    !!strong:noed2o_10
assign (resid 11 and name HA)  (resid 11 and name HB1)    2.70    0.90    0.00    !!strong:noed2o_10
assign (resid 14 and name HA)  (resid 14 and name HB2)    2.70    0.90    0.00    !!strong:noed2o_10
assign (resid  6 and name HA)  (resid  6 and name HB2)    2.70    0.90    0.00    !!strong:noed2o_10
assign (resid 24 and name HA)  (resid 24 and name HB1)    2.70    0.90    0.00    !!strong:noed2o_10
assign (resid 28 and name HA)  (resid 28 and name HB*)    2.70    0.90    0.00    !!strong:noed2o_10
assign (resid 24 and name HA)  (resid 24 and name HB2)    3.20    1.40    0.00    !!strong:noed2o_10
assign (resid 11 and name HA)  (resid 11 and name HG*)    2.70    0.90    0.00    !!strong:noed2o_10
assign (resid 21 and name HB)  (resid  21 and name HG*)    3.20    1.40    0.00
assign (resid 14 and name HA)  (resid 30 and name HG1)    3.60    0.90    0.90    !!medium:noed2o_10 
assign (resid 11 and name HA)  (resid 11 and name HB2)    3.20    1.40    0.00    !!medium:noed2o_10
assign (resid 12 and name HA)  (resid 12 and name HB1)    3.20    1.40    0.00    !!medium:noed2o_10
assign (resid 18 and name HA)  (resid 21 and name HB)    3.60    1.80    0.00    !!strong:noed2o_20
assign (resid 29 and name HA)  (resid 30 and name HD1)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 18 and name HA)  (resid 20 and name HB1)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 18 and name HA)  (resid 12 and name HB2)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 18 and name HA)  (resid 18 and name HB2)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 29 and name HA)  (resid 30 and name HD2)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 29 and name HA)  (resid 29 and name HB2)    4.50    2.70    0.00    !!strong:noed2o_2O
assign (resid 2 and name HA)  (resid 26 and name HB2)    4.50    2.70    0.00    !!strong:noed2o_20 ! changed from 23 HA 22 HB2
assign (resid 23 and name HA)  (resid 23 and name HB1)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 14 and name HA)  (resid 14 and name HB1)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 12 and name HA)  (resid 15 and name HA)    5.50    3.70    0.00    !!strong:noed2o_20 ! increased limits
assign (resid 15 and name HA)  (resid 14 and name HA)    5.50    3.70    0.00    !!strong:noed2o_20 ! increased limits
assign (resid 22 and name HA)  (resid 26 and name HB1)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 27 and name HA)  (resid 27 and name HB1)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 14 and name HA)  (resid 30 and name HG2)    5.50    3.70    0.00    !!strong:noed2o_20 increased due to mobility
assign (resid 30 and name HA)  (resid 30 and name HB1)    4.50    2.70    0.00    !!strong:noed2o_20 ambiguity ?
assign (resid 30 and name HA)  (resid 30 and name HD1)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid  6 and name HA)  (resid  8 and name HB2)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 24 and name HA)  (resid 25 and name HA)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 24 and name HA)  (resid 25 and name HG*)    4.50    2.70    0.00    !!strong:noed2o_20 ambiguity ?
assign (resid 23 and name HA)  (resid 23 and name HB2)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 14 and name HA)  (resid 30 and name HB1)    4.50    2.70    0.00    !!strong:noed2o_20 ambiguity ?
assign (resid 29 and name HA)  (resid 29 and name HB1)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 22 and name HA)  (resid 21 and name HG2*)    5.50    3.20    0.00    !!strong:noed2o_20
assign (resid 24 and name HA)  (resid 24 and name HG2)    4.50    2.70    0.00    !!strong:noed2o_20
assign (resid 18 and name HA)  (resid 21 and name HG2*)    5.0   3.20     0.00    !weak
assign (resid 22 and name HA)  (resid 23 and name HA)    4.50    2.70    0.00    
assign (resid 11 and name HA)  (resid 11 and name HD*)   4.50    2.70    0.00
assign (resid 23 and name HA)  (resid 24 and name HB1)    4.50    2.70    0.00   
assign (resid 16 and name HA)  (resid 19 and name HB*)    5.00    3.20    0.00
assign (resid 6 and name HA)  (resid 5 and name HB1)    4.50    2.70    0.00
assign (resid 12 and name HB2)  (resid 29 and name HB1)    3.20    1.40    0.00