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
537713 2ler 17726 cing 1-original 1 XPLOR/CNS distance NOE ambi


assign (resid  3 and name  HB1) (resid  4 and name HN)  3.8   0.8   0.8   
assign (resid  4 and name   HN) (resid  3 and name HB1)  3.7   0.7   0.7   
assign (resid  4 and name   HN) (resid  3 and name HB2)  4.2   0.8   0.8   
assign (resid  4 and name   HN) (resid  3 and name HA)  3.1   1.0   1.0 ! added manually   
!assign (resid  3 and name   HA) (resid  4 and name HN)  3.0   1.0   1.0 close to water
assign (resid  4 and name   HA) (resid  5 and name HN)  4.5   0.9   0.9   
assign (resid  5 and name   HN) (resid  4 and name HA)  3.3   0.7   0.7   
assign (resid  4 and name   HA) (resid  7 and name HN)  5.1   1.0   1.0   
assign (resid  7 and name   HN) (resid  4 and name HA)  3.9   0.8   0.8   
assign (resid 11 and name   HN) (resid  4 and name HA)  4.4   0.9   0.9   
assign (resid  4 and name   HA) (resid 11 and name HN)  5.9   1.2   1.2   
assign (resid 10 and name  HB2) (resid  4 and name HA)  4.2   0.8   0.8   
assign (resid  4 and name   HA) (resid 10 and name HB2)  3.8   0.8   0.8   
!assign (resid  4 and name   HA) (resid  2 and name HA)  5.0   1.0   1.0 close to diagonal
assign (resid  4 and name   HA) (resid 10 and name HN)  4.4   0.9   0.9   
assign (resid 10 and name   HN) (resid  4 and name HA)  4.4   0.9   0.9   
assign (resid  2 and name   HN) (resid  1 and name HB1)  2.7   0.5   0.5   
assign (resid  1 and name  HB1) (resid  2 and name HN)  3.0   0.6   0.6   
assign (resid  2 and name   HN) (resid  1 and name HB2)  3.3   0.7   0.7   
assign (resid  1 and name  HB2) (resid  2 and name HN)  4.4   0.9   0.9   
!assign (resid  9 and name   HA) (resid  2 and name HA)  2.6   0.5   0.5  misassignment? 
!assign (resid  2 and name   HA) (resid  3 and name HN)  4.0   1.0   1.0   close to water
assign (resid  3 and name   HN) (resid  2 and name HA)  2.6   0.5   0.5   
assign (resid  8 and name   HN) (resid  9 and name HN)  3.5   0.7   0.7   
assign (resid  9 and name   HN) (resid  8 and name HN)  3.5   0.7   0.7   
assign (resid  8 and name   HN) (resid  9 and name HA)  5.0   1.0   1.0   
assign (resid  8 and name   HN) (resid  7 and name HB1)  4.7   0.9   0.9   
assign (resid  8 and name   HN) (resid  7 and name HB2)  5.3   1.1   1.1   
assign (resid  7 and name  HB2) (resid  8 and name HN)  4.8   1.0   1.0   
assign (resid  8 and name   HN) (resid 10 and name HN)  3.5   0.7   0.7   
!assign (resid 10 and name   HN) (resid  8 and name HN)  2.4   0.5   0.5   misassignment?
assign (resid  9 and name   HN) (resid  8 and name HA)  2.8   0.8   0.8   !signal broaderning
assign (resid  9 and name   HA) (resid  8 and name HA)  3.6   1.0   1.0   ! distance increased, overlapping
assign (resid 11 and name   HN) (resid  8 and name HA)  4.6   0.9   0.9   
!assign (resid 11 and name   HN) (resid  3 and name HN)  2.4   0.5   0.5  misassignment? 
!assign (resid  3 and name   HN) (resid 11 and name HN)  3.1   0.6   0.6   misassignment?
assign (resid  2 and name  HB1) (resid  3 and name HN)  3.7   0.7   0.7   
assign (resid  3 and name   HN) (resid  2 and name HB1)  4.0   0.8   0.8   
!assign (resid  2 and name  HB2) (resid  3 and name HN)  4.3   1.0   1.0  line distortion
!assign (resid  3 and name   HN) (resid  2 and name HB2)  4.3   1.0   1.0 line distortion
!assign (resid  3 and name   HA) (resid  6 and name HA)  4.8   1.0   1.0   misassignment?
!assign (resid  6 and name   HA) (resid  3 and name HA)  4.3   0.9   0.9   
assign (resid  9 and name   HN) (resid 10 and name HN)  3.0   0.6   0.6   
assign (resid 10 and name   HN) (resid  9 and name HN)  3.0   0.6   0.6   
assign (resid 10 and name   HN) (resid  9 and name HA)  3.6   0.7   0.7   
assign (resid 11 and name   HN) (resid 10 and name HN)  3.0   0.6   0.6   
assign (resid 10 and name   HN) (resid 11 and name HN)  3.0   0.6   0.6   
assign (resid 10 and name   HN) (resid  7 and name HB1)  3.8   0.8   0.8   
assign (resid  7 and name  HB1) (resid 10 and name HN)  5.0   1.0   1.0   
!assign ((resid  5 and name  HG1) or (resid  5 and name  HG2)) (resid 10 and name HN)  4.6   0.9   0.9   misassignment?
!assign (resid 10 and name   HN) ((resid  5 and name  HG1) or (resid  5 and name  HG2))  4.4   0.9   0.9  misassignment? 
assign (resid 10 and name   HN) (resid  9 and name HB1)  3.8   0.8   0.8   
assign (resid 10 and name   HN) (resid 11 and name HB1)  5.3   1.1   1.1   
!assign (resid 11 and name  HB2) (resid 10 and name HN)  4.3   0.9   0.9   
!assign (resid 10 and name   HN) (resid 11 and name HB2)  8.2   1.6   1.6   
assign (resid  4 and name  HB1) (resid  5 and name HN)  3.8   0.8   0.8   
assign (resid  5 and name   HN) (resid  4 and name HB1)  3.9   0.8   0.8   
assign (resid  5 and name   HN) (resid  4 and name HB2)  3.1   0.6   0.6   
assign (resid  4 and name  HB2) (resid  5 and name HN)  3.4   0.7   0.7   
!assign (resid  7 and name   HA) (resid  5 and name HA)  5.4   1.1   1.1   misassignment?
!assign (resid  5 and name   HA) (resid  7 and name HA)  2.9   0.6   0.6   misassignment?
assign (resid  7 and name   HN) (resid 10 and name HB1)  5.2   1.0   1.0   
assign (resid 10 and name  HB1) (resid  7 and name HN)  5.1   1.0   1.0   
assign (resid 10 and name  HB2) (resid  7 and name HN)  5.2   1.0   1.0   
assign (resid  7 and name   HN) (resid 10 and name HB2)  4.5   0.9   0.9   
assign (resid  6 and name   HA) (resid  7 and name HN)  4.3   0.9   0.9   
assign (resid  7 and name   HN) (resid  6 and name HA)  3.7   0.7   0.7   
assign (resid  6 and name  HG1) (resid  7 and name HN)  3.9   0.8   0.8   
assign (resid  7 and name   HN) (resid  6 and name HG1)  3.8   0.8   0.8   
assign (resid  7 and name   HN) (resid  6 and name HG2)  3.9   0.8   0.8   
assign (resid  6 and name  HG2) (resid  7 and name HN)  4.5   0.9   0.9   
assign (resid  8 and name  HB2) (resid  9 and name HN)  4.0   0.8   0.8   
assign (resid  9 and name   HN) (resid  8 and name HB2)  4.0   0.8   0.8   
assign (resid  9 and name   HN) (resid  7 and name HB1)  4.2   0.8   0.8   
assign (resid  9 and name   HA) (resid 11 and name HN)  4.6   0.9   0.9   
assign (resid 11 and name   HN) (resid  9 and name HA)  4.1   0.8   0.8   
assign (resid 11 and name   HN) (resid 10 and name HB1)  4.1   0.8   0.8   
assign (resid 10 and name  HB1) (resid 11 and name HN)  4.4   0.9   0.9   
assign (resid 10 and name  HB2) (resid 11 and name HN)  5.0   1.0   1.0   
assign (resid 11 and name   HN) (resid 10 and name HB2)  3.9   0.8   0.8   
assign (resid 11 and name   HA) (resid  1 and name HB1)  3.8   0.8   0.8   
assign (resid  1 and name  HB1) (resid 11 and name HA)  3.5   0.7   0.7   
assign (resid  5 and name  HB2) (resid  3 and name HB2)  3.4   0.7   0.7   
assign (resid  3 and name  HB2) (resid  5 and name HB2)  3.5   0.7   0.7   
assign (resid  6 and name  HG1) (resid  3 and name HB2)  3.4   0.7   0.7   
assign (resid  3 and name  HB2) (resid  6 and name HG1)  3.2   0.6   0.6   
assign (resid  3 and name  HB2) (resid  6 and name HG2)  3.6   0.7   0.7   
assign (resid  6 and name  HG2) (resid  3 and name HB2)  4.2   0.8   0.8   
!assign ((resid  9 and name  HG1) or (resid  9 and name  HG2)) ((resid  8 and name HE1) or (resid  8 and name HE2))  6.1 1.2 1.2
assign (resid  9 and name  HG) ((resid  8 and name HD1) or (resid  8 and name HD2))  4.8 1.0 1.0
!assign (resid  9 and name HD1#) ((resid  8 and name HD1) or (resid  8 and name HD2))  3.9   0.8   0.8   misassignment?
assign ((resid  8 and name HD1) or (resid  8 and name HD2)) (resid  9 and name HD1#)  5.0   1.0   1.0   
assign (resid  9 and name HD2#) ((resid  8 and name HE1) or (resid  8 and name HE2))  3.4   0.7   0.7   
assign (resid  9 and name HD2#) ((resid  8 and name HD1) or (resid  8 and name HD2))  3.0   0.6   0.6   
assign ((resid  8 and name HD1) or (resid  8 and name HD2)) (resid  9 and name HD2#)  4.4   0.9   0.9   
assign (resid  4 and name   HN) (resid  4 and name HB1 ) 2.6   0.5   0.5   
assign (resid  4 and name  HB1) (resid  4 and name HN ) 3.0   0.6   0.6   
assign (resid  4 and name   HN) (resid  4 and name HB2 ) 2.6   0.5   0.5   
assign (resid  4 and name  HB2) (resid  4 and name HN ) 2.9   0.6   0.6   
assign (resid  4 and name   HN) (resid  4 and name HA ) 2.8   0.6   0.6   
assign (resid  4 and name   HA) (resid  4 and name HN ) 3.9   0.8   0.8   
assign (resid  4 and name  HB1) (resid  4 and name HA ) 3.2   0.6   0.6   
assign (resid  4 and name   HA) (resid  4 and name HB2 ) 3.0   0.6   0.6   
assign (resid  4 and name  HB2) (resid  4 and name HA ) 2.8   0.6   0.6   
assign (resid  2 and name   HN) (resid  2 and name HB1 ) 3.6   0.7   0.7   
assign (resid  2 and name  HB1) (resid  2 and name HN ) 3.8   0.8   0.8   
assign (resid  2 and name  HB2) (resid  2 and name HN ) 3.4   0.7   0.7   
assign (resid  2 and name   HN) (resid  2 and name HB2 ) 3.4   0.7   0.7   
assign (resid  2 and name   HN) (resid  2 and name HA ) 3.0   0.6   0.6   
assign (resid  2 and name  HB1) (resid  2 and name HA ) 3.1   0.6   0.6   
assign (resid  2 and name  HB2) (resid  2 and name HA ) 2.9   0.6   0.6   
assign (resid  8 and name   HN) (resid  8 and name HB1 ) 3.3   0.7   0.7   
assign (resid  8 and name  HB1) (resid  8 and name HN ) 3.1   0.6   0.6   
assign (resid  8 and name   HN) (resid  8 and name HB2 ) 3.2   0.6   0.6   
assign (resid  8 and name  HB2) (resid  8 and name HN ) 3.1   0.6   0.6   
assign (resid  8 and name   HN) ((resid  8 and name HE1 ) or (resid  8 and name HE2 )) 4.1   0.8   0.8   
assign ((resid  8 and name HE1 ) or (resid  8 and name HE2 )) (resid  8 and name HN ) 4.7   0.8   0.8 ! diagonal problems  
assign (resid  8 and name   HN) ((resid  8 and name HD1 ) or (resid  8 and name HD2 )) 3.3   0.7   0.7   
assign ((resid  8 and name HD1 ) or (resid  8 and name HD2 )) (resid  8 and name HN ) 3.8   0.8   0.8   
assign (resid  8 and name   HN) (resid  8 and name HA ) 2.7   0.5   0.5   
assign (resid  8 and name   HA) (resid  8 and name HB1 ) 3.0   1.0   1.0  ! reduced, peak is broad
assign (resid  8 and name  HB2) (resid  8 and name HA ) 2.8   0.6   0.6   
!assign ((resid  8 and name HE1 ) or (resid  8 and name HE2 )) (resid  8 and name HA ) 6.0   1.0   1.0 line distortion
!assign (resid  8 and name   HA) ((resid  8 and name HE1 ) or (resid  8 and name HE2 )) 7.2   1.4   1.4 line distortion
assign (resid  8 and name   HA) ((resid  8 and name HD1 ) or (resid  8 and name HD2 )) 5.5   1.1   1.1   
assign ((resid  8 and name HD1 ) or (resid  8 and name HD2 )) (resid  8 and name HA ) 4.6   0.9   0.9   
assign (resid  3 and name  HB1) (resid  3 and name HN ) 3.0   0.6   0.6   
assign (resid  3 and name   HN) (resid  3 and name HB1 ) 3.1   0.6   0.6   
assign (resid  3 and name  HB2) (resid  3 and name HN ) 3.1   0.6   0.6   
assign (resid  3 and name   HN) (resid  3 and name HB2 ) 2.9   0.6   0.6   
assign (resid  3 and name   HA) (resid  3 and name HN ) 3.3   0.7   0.7   
assign (resid  3 and name   HN) (resid  3 and name HA ) 2.7   0.5   0.5   
assign (resid  3 and name  HB1) (resid  3 and name HA ) 2.7   0.5   0.5   
assign (resid  3 and name   HA) (resid  3 and name HB1 ) 3.1   0.6   0.6   
assign (resid  3 and name   HA) (resid  3 and name HB2 ) 3.5   0.7   0.7   
assign (resid  3 and name  HB2) (resid  3 and name HA ) 2.6   0.5   0.5   
assign (resid 10 and name   HN) (resid 10 and name HA ) 3.7   0.7   0.7   
assign (resid 10 and name   HN) (resid 10 and name HB1 ) 3.5   0.7   0.7   
assign (resid 10 and name  HB1) (resid 10 and name HN ) 3.4   0.7   0.7   
assign (resid 10 and name  HB2) (resid 10 and name HN ) 3.3   0.7   0.7   
assign (resid 10 and name   HN) (resid 10 and name HB2 ) 2.9   0.6   0.6   
assign (resid 10 and name   HA) (resid 10 and name HB1 ) 3.2   0.6   0.6   
assign (resid 10 and name  HB1) (resid 10 and name HA ) 3.0   0.6   0.6   
assign (resid 10 and name   HA) (resid 10 and name HB2 ) 2.7   0.5   0.5   
assign (resid 10 and name  HB2) (resid 10 and name HA ) 2.9   0.6   0.6   
assign (resid  5 and name   HN) (resid  5 and name HB1 ) 3.0   1.0   1.0 ! distance increased, overlapping
assign (resid  5 and name  HB1) (resid  5 and name HN ) 3.0   1.0   1.0  ! distance increased, overlapping
assign (resid  5 and name  HB2) (resid  5 and name HN ) 3.0   1.0   1.0 ! distance decreased, broaderning
assign (resid  5 and name   HN) (resid  5 and name HB2 ) 3.0   1.0   1.0 ! distance decreased, broaderning
assign ((resid  5 and name  HG1) or (resid  5 and name  HG2)) (resid  5 and name HN ) 4.5   0.9   0.9   
assign (resid  5 and name   HN) ((resid  5 and name  HG1) or (resid  5 and name  HG2)) 3.7   0.7   0.7   
assign ((resid  5 and name  HZ1) or (resid  5 and name  HZ2)) (resid  5 and name HN ) 5.3   1.1   1.1   
assign (resid  5 and name   HN) ((resid  5 and name  HZ1) or (resid  5 and name  HZ2)) 4.3   0.9   0.9   
assign (resid  5 and name   HN) ((resid  5 and name HE1) or (resid  5 and name HE2)) 4.5   0.9   0.9   
assign (resid  5 and name  HB2) (resid  5 and name HA ) 3.5   0.7   0.7   
assign (resid  5 and name   HA) (resid  5 and name HB2 ) 4.0   0.8   0.8   
assign (resid  5 and name   HA) ((resid  5 and name  HG1) or (resid  5 and name  HG2)) 3.8   0.8   0.8   
assign ((resid  5 and name  HG1) or (resid  5 and name  HG2)) (resid  5 and name HA ) 3.2   0.6   0.6   
assign (resid  5 and name   HA) ((resid  5 and name  HZ1) or (resid  5 and name  HZ2)) 5.5   1.1   1.1   
assign (resid  5 and name   HA) ((resid  5 and name HE1) or (resid  5 and name HE2)) 4.2   0.8   0.8   
assign (resid  7 and name   HN) (resid  7 and name HA ) 3.2   0.6   0.6   
assign (resid  7 and name   HN) (resid  7 and name HB1 ) 3.4   0.7   0.7   
assign (resid  7 and name  HB1) (resid  7 and name HN ) 3.4   0.7   0.7   
assign (resid  7 and name  HB2) (resid  7 and name HN ) 3.6   0.7   0.7   
assign (resid  7 and name   HN) (resid  7 and name HB2 ) 3.7   0.7   0.7   
assign (resid  7 and name   HA) (resid  7 and name HB1 ) 3.0   0.6   0.6   
assign (resid  7 and name  HB1) (resid  7 and name HA ) 2.6   0.5   0.5   
assign (resid  7 and name   HA) (resid  7 and name HB2 ) 3.8   0.8   0.8   
assign (resid  7 and name  HB2) (resid  7 and name HA ) 3.0   0.6   0.6   
assign (resid  9 and name  HB1) (resid  9 and name HN ) 4.1   0.8   0.8   
assign (resid  9 and name   HN) (resid  9 and name HB1 ) 2.9   0.6   0.6   
assign (resid  9 and name  HB2) (resid  9 and name HN ) 4.0   0.8   0.8   
assign (resid  9 and name   HN) (resid  9 and name HB2 ) 3.9   0.8   0.8   
assign (resid  9 and name   HN) (resid  9 and name HG) 3.0   0.6   0.6   
assign (resid  9 and name HG) (resid  9 and name HN ) 3.3   0.7   0.7   
assign (resid  9 and name   HN) (resid  9 and name HD1# ) 4.0   0.8   0.8   
assign (resid  9 and name HD2#) (resid  9 and name HN ) 3.5   0.7   0.7   
assign (resid  9 and name   HN) (resid  9 and name HD2# ) 5.1   1.0   1.0   
assign (resid  9 and name   HA) (resid  9 and name HB2 ) 3.5   0.7   0.7   
assign (resid  9 and name  HG) (resid  9 and name HA ) 3.7   0.7   0.7   
assign (resid  9 and name   HA) (resid  9 and name HD2# ) 4.0   0.6   0.6 ! 3 me  
assign (resid  9 and name HD2#) (resid  9 and name HA ) 4.0   0.5   0.5  ! 3 me 
assign (resid 11 and name   HA) (resid 11 and name HN ) 3.3   0.7   0.7   
assign (resid 11 and name   HN) (resid 11 and name HA ) 2.7   0.5   0.5   
assign (resid 11 and name   HN) (resid 11 and name HB1 ) 3.7   0.7   0.7   
assign (resid 11 and name   HN) (resid 11 and name HB2 ) 3.0   0.6   0.6   
assign (resid 11 and name  HB2) (resid 11 and name HN ) 3.0   0.6   0.6   
assign (resid 11 and name  HB1) (resid 11 and name HA ) 3.5   0.7   0.7   
assign (resid 11 and name  HB2) (resid 11 and name HA ) 3.3   0.7   0.7   
assign (resid  4 and name  HB1) (resid  4 and name HB2 ) 2.1   0.4   0.4   
assign (resid  4 and name  HB2) (resid  4 and name HB1 ) 2.4   0.5   0.5   
assign (resid  2 and name  HB2) (resid  2 and name HB1 ) 1.8   0.7   0.7 ! vicinal protons 
assign (resid  2 and name  HB1) (resid  2 and name HB2 ) 1.8   0.7   0.7 ! vicinal protons 
assign (resid  8 and name  HB1) (resid  8 and name HB2 ) 1.8   0.4   0.4   
assign (resid  8 and name  HB2) (resid  8 and name HB1 ) 1.8   0.4   0.4   
assign ((resid  8 and name  HE1) or (resid  8 and name  HE2)) (resid  8 and name HB1 ) 3.9   0.8   0.8   
assign (resid  8 and name  HB1) ((resid  8 and name HD1 ) or (resid  8 and name HD2 )) 3.1   0.6   0.6   
assign ((resid  8 and name HD1 ) or (resid  8 and name HD2 )) (resid  8 and name HB1 ) 3.4   0.7   0.7   
!assign ((resid  8 and name  HE1) or (resid  8 and name  HE2)) (resid  8 and name HB2 ) 5.0   1.5   1.5 line distortion
assign ((resid  8 and name HD1 ) or (resid  8 and name HD2 )) (resid  8 and name HB2 ) 3.6   0.7   0.7   
assign (resid  8 and name  HB2) ((resid  8 and name HD1 ) or (resid  8 and name HD2 )) 3.0   0.6   0.6   
assign (resid  3 and name  HB1) (resid  3 and name HB2 ) 1.7   0.3   0.3   
assign (resid  3 and name  HB2) (resid  3 and name HB1 ) 1.8   0.4   0.4   
assign (resid 10 and name  HB2) (resid 10 and name HB1 ) 2.0   0.4   0.4   
assign (resid 10 and name  HB1) (resid 10 and name HB2 ) 1.8   0.4   0.4   
assign (resid  7 and name  HB2) (resid  7 and name HB1 ) 2.0   0.4   0.4   
assign (resid  7 and name  HB1) (resid  7 and name HB2 ) 2.0   0.4   0.4   
assign (resid  5 and name  HB2) (resid  5 and name HB1 ) 2.2   0.4   0.4   
assign (resid  5 and name  HB1) (resid  5 and name HB2 ) 2.3   0.5   0.5   
assign ((resid  5 and name  HG1) or (resid  5 and name  HG2)) (resid  5 and name HB1 ) 2.6   0.5   0.5   
assign (resid  5 and name  HB1) ((resid  5 and name  HG1) or (resid  5 and name  HG2)) 2.3   0.5   0.5   
!assign ((resid  5 and name  HZ1) or (resid  5 and name  HZ2)) (resid  5 and name HB1 ) 10.9  2.2   2.2 line distortion  
assign (resid  5 and name  HB2) ((resid  5 and name  HG1) or (resid  5 and name  HG2)) 2.2   0.4   0.4   
assign ((resid  5 and name  HG1) or (resid  5 and name  HG2)) (resid  5 and name HB2 ) 2.4   0.5   0.5   
!assign (resid  5 and name  HB2) (resid  5 and name HE* ) 4.0   1.0   1.0 peak is unphased
assign ((resid  5 and name  HZ1) or (resid  5 and name  HZ2)) ((resid  5 and name  HG1) or (resid  5 and name  HG2)) 5.5   1.1  1.1
assign (resid  9 and name  HB1) (resid  9 and name HB2 ) 2.2   0.4   0.4   
assign (resid  9 and name  HB2) (resid  9 and name HB1 ) 2.4   0.5   0.5   
assign (resid  9 and name  HG) (resid  9 and name HB1 ) 3.5   0.7   0.7   
assign (resid  9 and name  HB1) (resid  9 and name HD1# ) 3.6   0.7   0.7   
assign (resid  9 and name  HB2) (resid  9 and name  HG1) 2.3   0.5   0.5   
assign (resid  9 and name  HG) (resid  9 and name HB2 ) 2.3   0.5   0.5   
assign (resid  9 and name  HB2) (resid  9 and name HD1# ) 3.2   0.6   0.6   
assign (resid  9 and name  HB2) (resid  9 and name HD2# ) 3.8   0.8   0.8   
assign (resid  9 and name HD2#) (resid  9 and name  HG) 1.9   0.4   0.4   
assign (resid  9 and name HD2#) (resid  9 and name HD1# ) 2.5   0.5   0.5   
assign (resid  9 and name HD1#) (resid  9 and name HD2# ) 2.8   0.6   0.6   
assign (resid  6 and name   HN) (resid  6 and name HA ) 3.1   0.6   0.6   
assign (resid  6 and name   HA) (resid  6 and name HN ) 3.2   0.6   0.6   
assign (resid  6 and name  HB1) (resid  6 and name HN ) 4.2   0.8   0.8   
assign (resid  6 and name   HN) (resid  6 and name HB1 ) 4.3   0.9   0.9   
!assign (resid  6 and name   HN) (resid  6 and name HB2 ) 3.0   1.0   1.0 line distortion
!assign (resid  6 and name  HB2) (resid  6 and name HN ) 3.0   1.0   1.0 line distortion
assign (resid  6 and name   HN) ((resid  6 and name HD1 ) or (resid  6 and name HD2 )) 2.9   0.6   0.6   
assign (resid  6 and name   HN) (resid  6 and name HG1 ) 3.6   0.7   0.7   
assign (resid  6 and name  HG1) (resid  6 and name HN ) 3.3   0.7   0.7   
assign (resid  6 and name   HN) (resid  6 and name HG2 ) 4.1   0.8   0.8   
assign (resid  6 and name  HG2) (resid  6 and name HN ) 4.0   0.8   0.8   
!assign (resid  6 and name  HB1) (resid  6 and name HA ) 3.0   1.0   1.0  close to water
!assign (resid  6 and name   HA) (resid  6 and name HB1 ) 3.0   1.0   1.0  close to water
assign (resid  6 and name  HB2) (resid  6 and name HA ) 3.6   0.7   0.7   
assign ((resid  6 and name HD1 ) or (resid  6 and name HD2 )) (resid  6 and name HA ) 4.2   0.8   0.8   
assign (resid  6 and name   HA) ((resid  6 and name HD1 ) or (resid  6 and name HD2 )) 4.5   0.9   0.9   
assign (resid  6 and name  HG1) (resid  6 and name HA ) 2.9   0.6   0.6   
!assign (resid  6 and name   HA) (resid  6 and name HG2 ) 4.7   0.9   0.9   
assign (resid  6 and name  HG2) (resid  6 and name HA ) 3.2   0.6   0.6   
assign (resid  6 and name  HB1) (resid  6 and name HB2 ) 1.7   0.3   0.3   
assign (resid  6 and name  HB2) (resid  6 and name HB1 ) 1.7   0.3   0.3   
assign (resid  6 and name  HB1) ((resid  6 and name HD1 ) or (resid  6 and name HD2 )) 2.4   0.5   0.5   
assign ((resid  6 and name HD1 ) or (resid  6 and name HD2 )) (resid  6 and name HB1 ) 2.5   0.5   0.5   
assign (resid  6 and name  HB1) (resid  6 and name HG1 ) 2.2   0.4   0.4   
assign (resid  6 and name  HG1) (resid  6 and name HB1 ) 2.5   0.5   0.5   
assign ((resid  6 and name HD1 ) or (resid  6 and name HD2 )) (resid  6 and name HB2 ) 2.4   0.5   0.5   
assign (resid  6 and name  HB2) ((resid  6 and name HD1 ) or (resid  6 and name HD2 )) 2.3   0.5   0.5   
assign (resid  6 and name  HG1) (resid  6 and name HB2 ) 2.1   0.4   0.4   
assign (resid  6 and name  HB2) (resid  6 and name HG1 ) 2.3   0.5   0.5   
assign (resid  6 and name  HB2) (resid  6 and name HG2 ) 2.3   0.5   0.5   
assign (resid  6 and name  HG2) (resid  6 and name HB2 ) 2.6   0.5   0.5   
assign ((resid  6 and name HD1 ) or (resid  6 and name HD2 )) (resid  6 and name HG1 ) 3.9   0.8   0.8   
assign (resid  6 and name  HG1) ((resid  6 and name HD1 ) or (resid  6 and name HD2 )) 3.9   0.8   0.8   
assign (resid  6 and name  HG2) ((resid  6 and name HD1 ) or (resid  6 and name HD2 )) 3.9   0.8   0.8   
assign ((resid  6 and name HD1 ) or (resid  6 and name HD2 )) (resid  6 and name HG2 ) 4.1   0.8   0.8   
assign (resid  6 and name  HG1) (resid  6 and name HG2 ) 2.0   0.4   0.4   
assign (resid  6 and name  HG2) (resid  6 and name HG1 ) 2.4   0.5   0.5   
assign ((resid  5 and name  HZ1) or (resid  5 and name  HZ2)) ((resid  5 and name HE1 ) or (resid  5 and name HE2 )) 2.5 0.5 0.5
assign ((resid  5 and name HE1 ) or (resid  5 and name HE2 ))  ((resid  5 and name  HZ1) or (resid  5 and name  HZ2)) 2.6 0.5 0.5
assign (resid 11 and name  HB2) (resid 11 and name HB1 ) 2.3   0.5   0.5   
assign ((resid  8 and name  HE1) or (resid  8 and name  HE2)) ((resid  8 and name HD1 ) or (resid  8 and name HD2 )) 2.8 1.0 1.0
assign ((resid  8 and name HD1 ) or (resid  8 and name HD2 )) ((resid  8 and name  HE1) or (resid  8 and name  HE2)) 2.8 1.0 1.0


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