NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype

3404 1dox cing 1-original 1 XPLOR/CNS distance NOE simple
!!!! DISTANCE CONSTRAINTS

!!! INTERRESIDUE

!! Sequential
! CaH(i)-NH(i+1)
assign (resid 2 and name HA )(resid 3 and name HN ) 3.0 1.2 0.5
assign (resid 3 and name HA )(resid 4 and name HN ) 3.0 1.2 0.5
assign (resid 4 and name HA )(resid 5 and name HN ) 4.0 2.2 1.0
assign (resid 5 and name HA )(resid 6 and name HN ) 4.0 2.2 1.0 
assign (resid 7 and name HA )(resid 8 and name HN ) 3.0 1.2 0.5
assign (resid 8 and name HA )(resid 9 and name HN ) 3.0 1.2 0.5
assign (resid 11 and name HA )(resid 12 and name HN ) 4.0 2.2 1.0
assign (resid 12 and name HA1 )(resid 13 and name HN ) 3.0 1.2 0.5
assign (resid 12 and name HA2 )(resid 13 and name HN ) 3.0 1.2 0.5
assign (resid 13 and name HA )(resid 14 and name HN ) 2.5 0.7 0.2 
assign (resid 14 and name HA )(resid 15 and name HN ) 3.0 1.2 0.5 
assign (resid 15 and name HA )(resid 16 and name HN ) 3.0 1.2 0.5
assign (resid 17 and name HA )(resid 18 and name HN ) 3.0 1.2 0.5
assign (resid 18 and name HA )(resid 19 and name HN ) 3.0 1.2 0.5 
assign (resid 19 and name HA )(resid 20 and name HN ) 3.0 1.2 0.5
assign (resid 20 and name HA )(resid 21 and name HN ) 4.0 2.2 1.0
assign (resid 21 and name HA )(resid 22 and name HN ) 4.0 2.2 1.0
assign (resid 22 and name HA )(resid 23 and name HN ) 4.0 2.2 1.0
assign (resid 23 and name HA )(resid 24 and name HN ) 4.0 2.2 1.0
assign (resid 26 and name HA )(resid 27 and name HN ) 4.0 2.2 1.0
assign (resid 27 and name HA )(resid 28 and name HN ) 3.0 1.2 0.5
assign (resid 28 and name HA )(resid 29 and name HN ) 4.0 2.2 1.0
assign (resid 29 and name HA )(resid 30 and name HN ) 4.0 2.2 1.0
assign (resid 30 and name HA )(resid 31 and name HN ) 3.0 1.2 0.5
assign (resid 31 and name HA )(resid 32 and name HN ) 4.0 2.2 1.0
assign (resid 32 and name HA# )(resid 33 and name HN ) 2.5 1.7 1.2
assign (resid 33 and name HA )(resid 34 and name HN ) 3.0 1.2 0.5
assign (resid 34 and name HA )(resid 35 and name HN ) 4.0 2.2 1.0
assign (resid 49 and name HA# )(resid 50 and name HN ) 4.0 3.2 2.0
assign (resid 50 and name HA )(resid 51 and name HN ) 3.0 1.2 0.5
assign (resid 51 and name HA )(resid 52 and name HN ) 2.5 0.7 0.2
assign (resid 52 and name HA )(resid 53 and name HN ) 3.0 1.2 0.5
assign (resid 53 and name HA )(resid 54 and name HN ) 3.0 1.2 0.5 
assign (resid 54 and name HA# )(resid 55 and name HN ) 4.0 3.2 2.0
assign (resid 55 and name HA )(resid 56 and name HN ) 2.5 0.7 0.2
assign (resid 56 and name HA )(resid 57 and name HN ) 2.5 0.7 0.2
assign (resid 57 and name HA )(resid 58 and name HN ) 3.0 1.2 0.5
assign (resid 58 and name HA )(resid 59 and name HN ) 4.0 2.2 1.0 
assign (resid 60 and name HA )(resid 61 and name HN ) 4.0 2.2 1.0
assign (resid 65 and name HA )(resid 66 and name HN ) 4.0 2.2 1.0
assign (resid 66 and name HA )(resid 67 and name HN ) 4.5 2.7 1.5
assign (resid 69 and name HA )(resid 70 and name HN ) 4.0 2.2 1.0
assign (resid 70 and name HA )(resid 71 and name HN ) 3.0 1.2 0.5
assign (resid 71 and name HA )(resid 72 and name HN ) 4.0 2.2 1.0
assign (resid 72 and name HA1 )(resid 73 and name HN ) 3.0 1.2 0.5
assign (resid 72 and name HA2 )(resid 73 and name HN ) 3.0 1.2 0.5
assign (resid 73 and name HA )(resid 74 and name HN ) 4.0 2.2 1.0
assign (resid 79 and name HA )(resid 80 and name HN ) 4.0 2.2 0.5
assign (resid 82 and name HA )(resid 83 and name HN ) 4.0 2.2 0.5
assign (resid 85 and name HA )(resid 86 and name HN ) 3.0 1.2 0.5
assign (resid 86 and name HA )(resid 87 and name HN ) 4.0 2.2 0.5
assign (resid 87 and name HA )(resid 88 and name HN ) 4.0 2.2 1.0
assign (resid 88 and name HA )(resid 89 and name HN ) 3.0 1.2 0.5
assign (resid 89 and name HA )(resid 90 and name HN ) 4.0 2.2 1.0
assign (resid 90 and name HA )(resid 91 and name HN ) 4.0 2.2 1.0
assign (resid 91 and name HA )(resid 92 and name HN ) 4.0 2.2 1.0
assign (resid 93 and name HA )(resid 94 and name HN ) 4.0 2.2 0.5
assign (resid 94 and name HA )(resid 95 and name HN ) 3.0 1.2 0.5
assign (resid 95 and name HA )(resid 96 and name HN ) 3.0 1.2 0.5

! NH(i)-NH(i+1): 
assign (resid 2 and name HN )(resid 3 and name HN ) 4.0 2.2 1.0 
assign (resid 3 and name HN )(resid 4 and name HN ) 4.0 2.2 1.0 
assign (resid 4 and name HN )(resid 5 and name HN ) 4.0 2.2 1.0
assign (resid 8 and name HN )(resid 9 and name HN ) 4.0 2.2 1.0
assign (resid 11 and name HN )(resid 12 and name HN ) 4.0 2.2 1.0 
assign (resid 13 and name HN )(resid 14 and name HN ) 4.5 2.7 1.5
assign (resid 15 and name HN )(resid 16 and name HN ) 4.5 2.7 1.5
assign (resid 17 and name HN )(resid 18 and name HN ) 4.5 2.7 1.5
assign (resid 18 and name HN )(resid 19 and name HN ) 4.0 2.2 1.0 
assign (resid 20 and name HN )(resid 21 and name HN ) 4.0 2.2 1.0
assign (resid 21 and name HN )(resid 22 and name HN ) 4.5 2.7 1.5 
assign (resid 22 and name HN )(resid 23 and name HN ) 4.0 2.2 1.0 
assign (resid 27 and name HN )(resid 28 and name HN ) 3.0 1.2 0.5
assign (resid 28 and name HN )(resid 29 and name HN ) 3.0 1.2 0.5 
assign (resid 29 and name HN )(resid 30 and name HN ) 3.0 1.2 0.5
assign (resid 30 and name HN )(resid 31 and name HN ) 2.5 0.7 0.2
assign (resid 31 and name HN )(resid 32 and name HN ) 2.5 0.7 0.2
assign (resid 32 and name HN )(resid 33 and name HN ) 2.5 0.7 0.2
assign (resid 33 and name HN )(resid 34 and name HN ) 2.5 0.7 0.2
assign (resid 34 and name HN )(resid 35 and name HN ) 4.0 2.2 1.0
assign (resid 50 and name HN )(resid 51 and name HN ) 4.0 2.2 1.0
assign (resid 51 and name HN )(resid 52 and name HN ) 4.0 2.2 1.0
assign (resid 52 and name HN )(resid 53 and name HN ) 3.0 1.2 0.5
assign (resid 53 and name HN )(resid 54 and name HN ) 3.0 1.2 0.5
assign (resid 54 and name HN )(resid 55 and name HN ) 4.0 2.2 1.0
assign (resid 55 and name HN )(resid 56 and name HN ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 57 and name HN ) 4.0 2.2 1.0
assign (resid 57 and name HN )(resid 58 and name HN ) 4.0 2.2 1.0
assign (resid 58 and name HN )(resid 59 and name HN ) 3.0 1.2 0.5 
assign (resid 59 and name HN )(resid 60 and name HN ) 4.0 2.2 1.0
assign (resid 60 and name HN )(resid 61 and name HN ) 4.0 2.2 1.0
assign (resid 66 and name HN )(resid 67 and name HN ) 3.0 1.2 0.5
assign (resid 69 and name HN )(resid 70 and name HN ) 3.0 1.2 0.5
assign (resid 70 and name HN )(resid 71 and name HN ) 3.0 1.2 0.5
assign (resid 71 and name HN )(resid 72 and name HN ) 4.0 2.2 1.0
assign (resid 72 and name HN )(resid 73 and name HN ) 2.5 0.7 0.2
assign (resid 79 and name HN )(resid 80 and name HN ) 4.0 2.2 1.0
assign (resid 82 and name HN )(resid 83 and name HN ) 3.0 1.2 0.5
assign (resid 83 and name HN )(resid 84 and name HN ) 4.0 2.2 1.0
assign (resid 86 and name HN )(resid 87 and name HN ) 3.0 1.2 0.5
assign (resid 88 and name HN )(resid 89 and name HN ) 4.0 2.2 1.0
assign (resid 90 and name HN )(resid 91 and name HN ) 4.0 2.2 1.0
assign (resid 92 and name HN )(resid 93 and name HN ) 4.0 2.2 1.0
assign (resid 93 and name HN )(resid 94 and name HN ) 2.5 0.7 0.2
assign (resid 94 and name HN )(resid 95 and name HN ) 3.0 1.2 0.5
assign (resid 95 and name HN )(resid 96 and name HN ) 2.5 0.7 0.2

! chaine lateraleH(i)-NH(i+1)
assign (resid 3 and name HN )(resid 2 and name HB1 ) 4.0 2.2 1.0
assign (resid 3 and name HN )(resid 2 and name HB2 ) 4.0 2.2 1.0
assign (resid 4 and name HN )(resid 3 and name HB# ) 3.0 2.2 1.5
assign (resid 4 and name HN )(resid 5 and name HG* ) 3.0 3.6 2.9
assign (resid 5 and name HN )(resid 4 and name HG# ) 4.0 3.2 2.0
assign (resid 6 and name HN )(resid 5 and name HG* ) 3.0 3.6 2.9
assign (resid 6 and name HG# )(resid 7 and name HN ) 4.0 3.2 2.0
assign (resid 8 and name HN )(resid 7 and name HD1# ) 4.0 3.2 2.0
assign (resid 8 and name HN )(resid 7 and name HD2# ) 4.0 3.2 2.0
assign (resid 8 and name HN )(resid 7 and name HB# ) 4.0 3.2 2.0 
assign (resid 8 and name HN )(resid 7 and name HG ) 4.0 2.2 1.0 
assign (resid 9 and name HN )(resid 8 and name HG# ) 4.0 3.2 2.0
assign (resid 12 and name HN )(resid 11 and name HB1 ) 4.0 2.2 1.0 
assign (resid 12 and name HN )(resid 11 and name HB2 ) 4.0 2.2 1.0
assign (resid 14 and name HN )(resid 13 and name HB# ) 3.0 2.2 1.5
assign (resid 15 and name HN )(resid 14 and name HB1 ) 4.0 2.2 1.0 
assign (resid 15 and name HN )(resid 14 and name HB2 ) 4.0 2.2 1.0 
assign (resid 16 and name HN )(resid 15 and name HB1 ) 4.0 2.2 1.0 
assign (resid 16 and name HN )(resid 15 and name HB2 ) 4.0 2.2 1.0 
assign (resid 18 and name HN )(resid 17 and name HB# ) 4.0 3.2 2.0 
assign (resid 18 and name HN )(resid 17 and name HG# ) 4.0 2.2 1.0 
assign (resid 19 and name HN )(resid 18 and name HB# ) 4.0 3.2 2.0
assign (resid 22 and name HN )(resid 21 and name HB# ) 4.0 3.2 2.0
assign (resid 23 and name HN )(resid 22 and name HG# ) 4.0 3.2 2.0
assign (resid 24 and name HN )(resid 23 and name HB# ) 4.0 3.2 2.0
assign (resid 27 and name HN )(resid 26 and name HB1 ) 4.0 2.2 1.0
assign (resid 27 and name HN )(resid 26 and name HB2 ) 4.0 2.2 1.0
assign (resid 28 and name HN )(resid 27 and name HB# ) 4.0 3.2 2.0
assign (resid 27 and name HN )(resid 28 and name HB# ) 4.5 3.2 2.0
assign (resid 29 and name HN )(resid 28 and name HB# ) 3.0 2.2 1.5
assign (resid 30 and name HN )(resid 29 and name HB# ) 3.0 2.2 1.5
assign (resid 31 and name HN )(resid 30 and name HB# ) 2.5 1.7 1.2
assign (resid 31 and name HN )(resid 30 and name HG1 ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 30 and name HG2 ) 4.0 2.2 1.0
assign (resid 30 and name HN )(resid 31 and name HB# ) 3.0 2.2 1.5
assign (resid 32 and name HN )(resid 33 and name HB# ) 4.5 3.7 2.5
assign (resid 32 and name HN )(resid 33 and name HG ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 33 and name HD* ) 3.0 3.6 2.9
assign (resid 34 and name HN )(resid 33 and name HD* ) 3.0 3.6 2.9 
assign (resid 34 and name HN )(resid 33 and name HG ) 3.0 1.2 0.5 
assign (resid 34 and name HN )(resid 33 and name HG ) 3.0 1.2 0.5
assign (resid 34 and name HN )(resid 35 and name HB# ) 4.0 3.2 2.0
assign (resid 34 and name HN )(resid 35 and name HG ) 4.0 2.2 1.0
assign (resid 51 and name HN )(resid 50 and name HB# ) 4.0 3.2 2.0 
assign (resid 51 and name HN )(resid 50 and name HD# ) 4.0 3.2 2.0 
assign (resid 52 and name HN )(resid 51 and name HB ) 4.0 2.2 1.0
assign (resid 52 and name HN )(resid 51 and name HG* ) 4.0 3.2 2.0
assign (resid 53 and name HN )(resid 52 and name HB ) 4.0 2.2 1.0
assign (resid 54 and name HN )(resid 53 and name HB# ) 3.0 2.2 1.5
assign (resid 56 and name HN )(resid 55 and name HB1 ) 4.0 2.2 1.0
assign (resid 56 and name HN )(resid 55 and name HB2 ) 3.0 1.2 0.5
assign (resid 57 and name HN )(resid 56 and name HB ) 4.0 2.2 1.0
assign (resid 57 and name HN )(resid 56 and name HG1# ) 4.0 3.2 2.0
assign (resid 57 and name HN )(resid 56 and name HG2# ) 4.0 3.2 2.0
assign (resid 58 and name HN )(resid 57 and name HB# ) 4.0 3.2 2.0
assign (resid 61 and name HN )(resid 60 and name HB# ) 4.0 3.2 2.0
assign (resid 66 and name HN )(resid 65 and name HB1 ) 4.0 2.2 1.0
assign (resid 66 and name HN )(resid 65 and name HB2 ) 4.0 2.2 1.0
assign (resid 67 and name HN )(resid 66 and name HB1 ) 4.0 2.2 1.0
assign (resid 67 and name HN )(resid 66 and name HB2 ) 4.0 2.2 1.0
assign (resid 67 and name HN )(resid 68 and name NE2 ) 4.0 2.2 1.0
assign (resid 70 and name HN )(resid 69 and name HB ) 4.0 2.2 1.0
assign (resid 70 and name HN )(resid 69 and name HD# ) 4.0 3.2 2.0
assign (resid 70 and name HN )(resid 69 and name HG* ) 4.0 3.2 2.0 
assign (resid 71 and name HN )(resid 70 and name HB# ) 4.0 3.2 2.0
assign (resid 72 and name HN )(resid 71 and name HB# ) 3.0 2.2 1.5
assign (resid 72 and name HN )(resid 73 and name HB# ) 4.0 3.2 2.0
assign (resid 72 and name HN )(resid 73 and name HB# ) 4.5 3.2 2.0
assign (resid 79 and name HN )(resid 80 and name HB# ) 4.5 3.2 2.0
assign (resid 84 and name HN )(resid 83 and name HB# ) 3.0 2.2 1.5
assign (resid 87 and name HN )(resid 86 and name HB ) 4.5 2.2 1.0
assign (resid 87 and name HN )(resid 86 and name HG# ) 4.0 3.2 2.0
assign (resid 89 and name HN )(resid 88 and name HB# ) 4.0 3.2 2.0 
assign (resid 89 and name HN )(resid 88 and name HG# ) 4.0 3.2 2.0 
assign (resid 90 and name HN )(resid 89 and name HB ) 4.0 2.2 1.0
assign (resid 91 and name HN )(resid 90 and name HB1 ) 4.0 3.2 2.0
assign (resid 91 and name HN )(resid 90 and name HB2 ) 4.0 3.2 2.0
assign (resid 86 and name HN )(resid 85 and name HB# ) 4.5 3.7 2.5
assign (resid 93 and name HN )(resid 92 and name HB# ) 4.0 3.2 2.0
assign (resid 94 and name HN )(resid 93 and name HB# ) 4.0 3.2 2.0
assign (resid 94 and name HN )(resid 95 and name HB# ) 4.0 2.2 1.0 
assign (resid 94 and name HN )(resid 95 and name HB# ) 4.0 3.2 2.0
assign (resid 95 and name HN )(resid 94 and name HB# ) 4.0 3.2 2.0
assign (resid 96 and name HN )(resid 95 and name HB# ) 4.0 3.2 2.0 
assign (resid 96 and name HN )(resid 95 and name HG ) 4.0 2.2 1.0 

!Chaine lateraleH(i)-chaine lateraleH(i+1)
assign (resid 2 and name HA )(resid 1 and name HB# ) 4.0 3.2 2.0
assign (resid 3 and name HA )(resid 4 and name HB ) 4.0 2.2 1.0
assign (resid 3 and name HD# )(resid 2 and name HA ) 4.5 4.7 3.5
assign (resid 3 and name HD# )(resid 2 and name HB1 ) 4.5 4.7 3.5 
assign (resid 3 and name HD# )(resid 2 and name HB2 ) 4.5 4.7 3.5 
assign (resid 3 and name HE# )(resid 2 and name HB1 ) 3.0 3.6 2.9
assign (resid 3 and name HE# )(resid 2 and name HB2 ) 4.5 5.1 3.9
assign (resid 3 and name HE# )(resid 4 and name HN ) 4.5 5.1 3.9
assign (resid 8 and name HA )(resid 9 and name HG# ) 4.0 3.2 2.0
assign (resid 9 and name HA )(resid 10 and name HD# ) 2.5 1.7 1.2
assign (resid 10 and name HA )(resid 9 and name HB ) 4.0 2.2 1.0 
assign (resid 10 and name HA )(resid 11 and name HB# ) 4.0 3.2 2.0
assign (resid 13 and name HA )(resid 12 and name HA# ) 4.0 3.2 2.0
assign (resid 13 and name HA )(resid 14 and name HB# ) 4.0 3.2 2.0
assign (resid 72 and name HA# )(resid 73 and name HA ) 4.0 3.2 2.0
assign (resid 73 and name HD# )(resid 72 and name HN ) 4.0 4.2 3.0
assign (resid 96 and name HD# )(resid 95 and name HB# ) 3.0 4.2 3.9
assign (resid 96 and name HD# )(resid 95 and name HG ) 3.0 3.2 2.9
assign (resid 96 and name HE# )(resid 95 and name HB# ) 4.5 6.1 4.9
assign (resid 96 and name HE# )(resid 95 and name HG ) 4.5 6.1 3.9


!! Medium and short range NOEs
! CaH(i)-NH(i+2)
assign (resid 9 and name HA )(resid 11 and name HN ) 4.0 2.2 1.0
assign (resid 19 and name HA )(resid 21 and name HN ) 4.5 2.7 1.5 
assign (resid 26 and name HA )(resid 28 and name HN ) 4.5 2.7 1.5
assign (resid 29 and name HA )(resid 31 and name HN ) 4.5 2.7 1.5
assign (resid 30 and name HA )(resid 32 and name HN ) 4.5 2.7 1.5
assign (resid 51 and name HA )(resid 53 and name HN ) 3.0 1.2 0.5
assign (resid 54 and name HA# )(resid 52 and name HN ) 4.5 4.1 2.9
assign (resid 58 and name HA )(resid 60 and name HN ) 4.0 2.2 1.0
assign (resid 70 and name HA )(resid 72 and name HN ) 4.0 2.2 1.0
assign (resid 69 and name HA )(resid 71 and name HN ) 4.0 2.2 1.0 
assign (resid 80 and name HA )(resid 82 and name HN ) 4.5 2.7 1.5
assign (resid 88 and name HA )(resid 90 and name HN ) 4.0 2.2 1.0 
assign (resid 91 and name HA )(resid 93 and name HN ) 4.0 2.2 1.0 
 
! NH(i)-NH(i+2)
assign (resid 19 and name HN )(resid 21 and name HN ) 4.0 2.2 1.0 
assign (resid 26 and name HN )(resid 28 and name HN ) 4.5 2.7 1.5 
assign (resid 28 and name HN )(resid 30 and name HN ) 4.5 2.2 1.0
assign (resid 29 and name HN )(resid 31 and name HN ) 4.5 2.7 1.5 
assign (resid 30 and name HN )(resid 32 and name HN ) 4.0 2.2 1.0
assign (resid 31 and name HN )(resid 33 and name HN ) 4.0 2.2 1.0
assign (resid 32 and name HN )(resid 34 and name HN ) 4.0 2.2 1.0
assign (resid 51 and name HN )(resid 53 and name HN ) 4.0 2.2 1.0
assign (resid 70 and name HN )(resid 72 and name HN ) 4.5 2.7 1.5
assign (resid 82 and name HN )(resid 84 and name HN ) 4.0 2.2 1.0
assign (resid 94 and name HN )(resid 96 and name HN ) 4.5 2.2 1.0

! Chaine lateraleH(i)-NH(i+2) 
assign (resid 27 and name HB# )(resid 25 and name HN ) 4.5 3.7 2.5 
assign (resid 30 and name HB# )(resid 32 and name HN ) 4.0 3.2 2.0
assign (resid 30 and name HG# )(resid 32 and name HN ) 4.0 3.2 2.0
assign (resid 31 and name HB# )(resid 33 and name HN ) 4.0 3.2 2.0
assign (resid 34 and name HB# )(resid 32 and name HN ) 4.0 3.2 2.0
assign (resid 61 and name NE2 )(resid 59 and name HN ) 4.0 2.2 1.0
assign (resid 70 and name HG# )(resid 72 and name HN ) 4.0 3.2 2.0
assign (resid 71 and name HB# )(resid 69 and name HN ) 4.0 3.2 2.0 
assign (resid 71 and name HB# )(resid 73 and name HN ) 4.0 2.2 1.0

! Chaine lateraleH(i)-Chaine lateraleH(i+2)
assign (resid 5 and name HG* )(resid 3 and name HD# ) 4.0 7.0 5.8
assign (resid 58 and name NE2 )(resid 56 and name HG* ) 4.0 4.6 3.4
assign (resid 71 and name HB1 )(resid 73 and name HD# ) 3.0 3.6 2.9
assign (resid 71 and name HB2 )(resid 73 and name HD# ) 3.0 3.6 2.9

! CaH(i)-NH(i+3)
assign (resid 9 and name HA )(resid 12 and name HN ) 5.0 2.2 1.0 
assign (resid 27 and name HA )(resid 30 and name HN ) 4.5 2.7 1.5
assign (resid 28 and name HA )(resid 31 and name HN ) 4.5 2.7 1.5 
assign (resid 49 and name HA# )(resid 52 and name HN ) 4.0 3.2 2.0
assign (resid 66 and name HA )(resid 69 and name HN ) 4.0 2.2 1.0
assign (resid 91 and name HA )(resid 94 and name HN ) 4.0 2.2 1.0 

! NH(i)-NH(i+3)
assign (resid 9 and name HN )(resid 12 and name HN ) 4.5 2.7 1.5
assign (resid 24 and name HN )(resid 27 and name HN ) 4.0 2.2 1.0 
assign (resid 66 and name HN )(resid 69 and name HN ) 4.0 2.2 1.0

! Chaine lateraleH(i)-NH(i+3)
assign (resid 8 and name HG* )(resid 11 and name HN ) 4.0 3.2 2.0
assign (resid 9 and name HG# )(resid 12 and name HN ) 4.0 3.2 2.0
assign (resid 25 and name HB# )(resid 28 and name HN ) 4.0 3.2 2.0
assign (resid 25 and name HG )(resid 28 and name HN ) 4.0 2.2 1.0
assign (resid 34 and name HB# )(resid 31 and name HN ) 4.5 3.7 2.5
assign (resid 31 and name HB# )(resid 34 and name HN ) 4.5 3.7 2.5
assign (resid 66 and name HB# )(resid 69 and name HN ) 4.0 3.2 2.0 
assign (resid 68 and name NE2 )(resid 71 and name HN ) 4.0 2.2 1.0
assign (resid 90 and name HB# )(resid 87 and name HN ) 4.0 3.2 2.0 
assign (resid 92 and name HG# )(resid 95 and name HN ) 4.0 3.2 2.0 
assign (resid 92 and name HB1 )(resid 95 and name HN ) 4.0 2.2 1.0 
assign (resid 92 and name HB2 )(resid 95 and name HN ) 2.5 0.7 0.2 

! Chaine lateraleH(i)-Chaine lateraleH(i+3)

! CaH(i)-NH(i+4)
assign (resid 13 and name HA )(resid 9 and name HN ) 4.0 2.2 1.0
assign (resid 27 and name HA )(resid 31 and name HN ) 4.0 2.2 1.0 
assign (resid 29 and name HA )(resid 33 and name HN ) 4.0 2.2 1.0 
assign (resid 49 and name HA# )(resid 53 and name HN ) 4.5 3.5 2.5 
assign (resid 66 and name HA )(resid 70 and name HN ) 4.0 2.2 1.0

! NH(i)-NH(i+4)
assign (resid 66 and name HN )(resid 70 and name HN ) 4.0 2.2 1.0

! Chaine laterale(i)-NH(i+4)
assign (resid 8 and name HG* )(resid 12 and name HN ) 4.0 3.2 2.0
assign (resid 23 and name HB# )(resid 27 and name HN ) 4.0 3.2 2.0 
assign (resid 66 and name HB# )(resid 70 and name HN ) 4.0 3.2 2.0

! Chaine laterale(i)-Chaine laterale(i+4)


!! LONG RANGE (>i,i+4)
! Ser-2 
assign (resid 2 and name HB# )(resid 18 and name HN ) 4.0 3.2 2.0 
assign (resid 2 and name HB# )(resid 19 and name HN ) 4.5 3.7 2.5 

! Tyr-3 
assign (resid 3 and name HB# )(resid 18 and name HN ) 4.0 3.2 2.0
assign (resid 3 and name HN )(resid 18 and name HN ) 3.0 1.2 0.5 

! Thr-4 
assign (resid 4 and name HA )(resid 16 and name HN ) 4.5 2.5 1.5 
assign (resid 4 and name HN )(resid 85 and name HN ) 4.0 2.2 1.0 

! Val-5 
assign (resid 5 and name HA )(resid 85 and name HN ) 4.5 2.7 1.5 
assign (resid 5 and name HG* )(resid 17 and name HN ) 3.0 3.6 2.9 
assign (resid 5 and name HG* )(resid 18 and name HN ) 4.0 4.6 3.4 
assign (resid 5 and name HG* )(resid 85 and name HN ) 4.5 5.1 3.9 
assign (resid 5 and name HN )(resid 16 and name HN ) 3.0 1.2 0.5
assign (resid 5 and name HN )(resid 85 and name HN ) 4.0 2.2 1.0 

! Lys-6 
assign (resid 6 and name HB# )(resid 16 and name HN ) 4.5 4.1 2.0 
assign (resid 6 and name HD# )(resid 16 and name HN ) 4.5 4.1 2.9 
assign (resid 6 and name HB# )(resid 87 and name HN ) 4.0 3.2 2.0
assign (resid 6 and name HN )(resid 85 and name HN ) 4.5 2.7 1.5

! Leu-7 
assign (resid 7 and name HA )(resid 87 and name HN ) 4.0 2.2 1.0
assign (resid 7 and name HD# )(resid 14 and name HN ) 4.5 2.7 1.0 
assign (resid 7 and name HG )(resid 14 and name HN ) 4.5 2.7 1.0
assign (resid 7 and name HB# )(resid 87 and name HN ) 4.0 3.2 2.0 
assign (resid 7 and name HG )(resid 87 and name HN ) 4.0 2.2 1.0 
assign (resid 7 and name HB# )(resid 89 and name HN ) 4.5 4.1 2.9 
assign (resid 7 and name HG )(resid 89 and name HN ) 4.5 3.1 1.9 
assign (resid 7 and name HD* )(resid 87 and name HN ) 4.5 5.1 3.9

! Ile-8 
assign (resid 8 and name HG* )(resid 13 and name HA ) 4.0 3.2 2.0
assign (resid 8 and name HA )(resid 14 and name HN ) 4.0 2.2 1.0 
assign (resid 8 and name HB )(resid 13 and name HN ) 4.5 2.7 1.5
assign (resid 8 and name HB )(resid 89 and name HN ) 4.5 2.7 1.5
assign (resid 8 and name HN )(resid 87 and name HN ) 4.0 2.2 1.0
assign (resid 8 and name HN )(resid 89 and name HN ) 4.5 2.7 1.5

! Thr-9 
assign (resid 9 and name HA )(resid 89 and name HN ) 4.0 2.2 1.0
assign (resid 9 and name HN )(resid 14 and name HN ) 4.0 2.2 1.0

! Ser-14 
assign (resid 14 and name HB# )(resid 7 and name HN ) 4.0 3.2 2.0 
assign (resid 14 and name HB1 )(resid 8 and name HN ) 3.0 1.2 0.5
assign (resid 14 and name HB2 )(resid 8 and name HN) 4.0 2.2 1.0

! Ser-15 
assign (resid 15 and name HA )(resid 5 and name HN ) 4.5 2.7 1.5
assign (resid 15 and name HA )(resid 7 and name HN ) 4.0 2.2 1.0
assign (resid 15 and name HB# )(resid 7 and name HN ) 4.0 3.2 2.0
assign (resid 15 and name HN )(resid 7 and name HN ) 4.0 2.2 1.0

! Ile-16 
assign (resid 16 and name HB )(resid 3 and name HN ) 4.0 2.2 1.0
assign (resid 16 and name HB )(resid 4 and name HN ) 4.5 2.2 1.0 
assign (resid 16 and name HG* )(resid 3 and name HN ) 4.0 3.2 2.0 
assign (resid 16 and name HG* )(resid 5 and name HN ) 4.0 3.2 2.0 
assign (resid 16 and name HG* )(resid 27 and name HN ) 4.5 3.7 2.5 
assign (resid 16 and name HD# )(resid 5 and name HN ) 4.0 3.2 2.0
assign (resid 16 and name HD# )(resid 27 and name HN ) 4.5 3.7 2.5 

! Glu-17 
assign (resid 17 and name HA )(resid 5 and name HN ) 4.0 2.2 1.0
assign (resid 17 and name HB# )(resid 3 and name HN ) 4.0 3.2 2.0
assign (resid 17 and name HB# )(resid 4 and name HN ) 4.0 3.2 2.0
assign (resid 17 and name HB# )(resid 85 and name HN ) 4.0 3.2 2.0 
assign (resid 17 and name HG# )(resid 85 and name HN ) 4.0 3.2 2.0 

! Cys-18 
assign (resid 18 and name HB# )(resid 3 and name HN ) 4.0 3.2 2.0
assign (resid 18 and name HN )(resid 3 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HN )(resid 5 and name HN ) 4.0 2.2 1.0


! Asp-20 
assign (resid 20 and name HA )(resid 82 and name HN ) 4.0 2.2 1.0 
assign (resid 20 and name HB# )(resid 3 and name HN ) 4.0 3.2 2.0 
assign (resid 20 and name HN )(resid 82 and name HN ) 4.0 2.2 1.0 

! Asp-21 
assign (resid 21 and name HA )(resid 80 and name HN ) 4.0 2.2 1.0


! Tyr-23
assign (resid 23 and name HB# )(resid 3 and name HN ) 4.5 3.7 2.5
assign (resid 23 and name HN )(resid 3 and name HN ) 4.5 2.7 1.5

! Ala-27 
assign (resid 27 and name HB# )(resid 18 and name HB# ) 4.0 3.2 2.0
assign (resid 27 and name HB# )(resid 18 and name HN ) 4.0 3.2 2.0

! Ala-28 

! Glu-29 
assign (resid 29 and name HB# )(resid 8 and name HN ) 4.5 3.7 2.5

! Leu-33 
assign (resid 33 and name HD* )(resid 12 and name HN ) 4.0 4.6 3.4

! Lys-50 
assign (resid 50 and name HB# )(resid 73 and name HN ) 4.5 3.7 2.5 	
assign (resid 50 and name HB# )(resid 89 and name HN ) 4.0 3.2 2.0
assign (resid 50 and name HG# )(resid 73 and name HN ) 4.5 4.1 3.0

! Ile-51 
assign (resid 51 and name HA )(resid 88 and name HN ) 4.5 2.7 1.5 
assign (resid 51 and name HD# )(resid 72 and name HN ) 4.0 3.2 2.0 
assign (resid 51 and name HG* )(resid 72 and name HN ) 4.0 3.2 2.0
assign (resid 51 and name HD# )(resid 73 and name HN ) 4.0 3.2 2.0 
assign (resid 51 and name HG* )(resid 73 and name HN ) 4.0 3.2 2.0
assign (resid 51 and name HD# )(resid 88 and name HN ) 4.5 3.7 2.5 
assign (resid 51 and name HG* )(resid 88 and name HN ) 4.5 3.7 2.5
assign (resid 51 and name HN )(resid 72 and name HN ) 4.0 2.2 1.0 

! Thr-52 
assign (resid 52 and name HG# )(resid 88 and name HN ) 4.5 3.7 2.5 
assign (resid 52 and name HN )(resid 88 and name HN ) 4.5 2.7 1.5 

! Ala-53
assign (resid 53 and name HA )(resid 86 and name HN ) 4.5 2.7 1.5 
assign (resid 53 and name HB# )(resid 86 and name HN ) 4.0 3.2 2.0
assign (resid 53 and name HN )(resid 86 and name HN ) 4.0 2.2 1.0  

! Gly-54 
assign (resid 54 and name HA# )(resid 84 and name HN ) 4.0 3.2 2.0
assign (resid 54 and name HN )(resid 71 and name HN ) 4.0 2.2 1.0 

! Ser-55 
assign (resid 55 and name HA )(resid 84 and name HN ) 4.0 2.2 1.0 

! Val-56 
assign (resid 56 and name HA )(resid 80 and name HN ) 4.0 2.2 1.0 
assign (resid 56 and name HA )(resid 83 and name HN ) 4.0 2.2 1.0

! Asp-57 
assign (resid 57 and name HB# )(resid 79 and name HN ) 4.0 2.2 1.0 
assign (resid 57 and name HB# )(resid 80 and name HN ) 4.0 2.2 1.0
assign (resid 57 and name HN )(resid 80 and name HN ) 4.0 2.2 1.0 

! Gln-58 
assign (resid 58 and name HA )(resid 80 and name HN ) 4.5 2.7 1.5
assign (resid 58 and name NE2 )(resid 69 and name HG* ) 4.0 3.2 2.0 
assign (resid 58 and name NE2 )(resid 69 and name HD# ) 4.0 3.2 2.0 

! Ser-59 
assign (resid 59 and name HA )(resid 61 and name HN ) 4.0 2.2 1.0

! Gln-68 
assign (resid 68 and name HA )(resid 58 and name HN ) 4.5 3.1 1.9
assign (resid 68 and name HA )(resid 60 and name HN ) 4.0 2.2 1.0
assign (resid 68 and name HN )(resid 71 and name HN ) 4.0 2.2 1.0

! Ala-71 
assign (resid 71 and name HA )(resid 68 and name HN ) 4.5 2.7 1.5
assign (resid 71 and name HN )(resid 54 and name HN ) 4.0 2.2 1.0

! Gly-72 
assign (resid 72 and name HA# )(resid 51 and name HN ) 4.0 3.2 2.0
assign (resid 72 and name HA# )(resid 54 and name HN ) 4.0 3.2 2.0
assign (resid 72 and name HN )(resid 51 and name HN ) 4.0 2.2 1.0

! Tyr-73 
assign (resid 73 and name HA )(resid 51 and name HN ) 4.0 2.2 1.0
assign (resid 73 and name HN )(resid 51 and name HN ) 4.0 2.2 1.0

! Val-74

! Ala-79 
assign (resid 79 and name HA )(resid 22 and name HN ) 4.5 2.7 1.5

! Tyr-80 
assign (resid 80 and name HA )(resid 59 and name HN ) 4.0 2.2 1.0
assign (resid 80 and name HB# )(resid 57 and name HN ) 4.0 3.2 2.0
assign (resid 80 and name HN )(resid 57 and name HN ) 4.0 2.2 1.0 

! Thr-82 
assign (resid 82 and name HA )(resid 55 and name HN ) 4.0 2.2 1.0
assign (resid 82 and name HA )(resid 80 and name HN ) 4.0 2.2 1.0 
assign (resid 82 and name HB )(resid 19 and name HN ) 4.0 2.2 1.0

! Asp-84 
assign (resid 84 and name HA )(resid 4 and name HN ) 4.5 2.7 1.5

! Cys-85 
assign (resid 85 and name HA )(resid 55 and name HN ) 4.5 2.7 1.5 
assign (resid 85 and name HB# )(resid 4 and name HN ) 4.0 3.2 2.0
assign (resid 85 and name HB# )(resid 18 and name HN ) 4.0 3.2 2.0
assign (resid 85 and name HB# )(resid 23 and name HN ) 4.0 3.2 2.0
assign (resid 85 and name HB# )(resid 54 and name HN ) 4.0 3.2 2.0
assign (resid 85 and name HB# )(resid 55 and name HN ) 4.0 4.2 3.0
assign (resid 85 and name HN )(resid 6 and name HN ) 4.0 2.2 1.0  

! Thr-86 
assign (resid 86 and name HA )(resid 6 and name HN ) 4.0 2.2 1.0 
assign (resid 86 and name HB )(resid 72 and name HN ) 4.5 2.7 1.5 
assign (resid 86 and name HG# )(resid 6 and name HN ) 4.5 3.7 2.5
assign (resid 86 and name HG# )(resid 54 and name HN ) 4.0 3.2 2.0 
assign (resid 86 and name HN )(resid 53 and name HN ) 4.0 2.2 1.0

! Ile-87 
assign (resid 87 and name HB# )(resid 50 and name HN ) 4.0 3.2 2.0
assign (resid 87 and name HD# )(resid 51 and name HN ) 4.0 3.2 2.0 
assign (resid 87 and name HG* )(resid 51 and name HN ) 4.0 4.6 3.4 
assign (resid 87 and name HD# )(resid 52 and name HN ) 4.0 3.2 2.0 
assign (resid 87 and name HG* )(resid 52 and name HN ) 4.0 4.6 3.4
assign (resid 87 and name HD# )(resid 53 and name HN ) 4.0 3.2 2.0 
assign (resid 87 and name HG* )(resid 53 and name HN ) 4.0 4.6 3.4 
assign (resid 87 and name HN )(resid 7 and name HN ) 4.0 2.2 1.0

! Glu-88 
assign (resid 88 and name HA )(resid 8 and name HN ) 4.0 2.2 1.0
assign (resid 88 and name HG# )(resid 50 and name HN ) 4.5 3.7 2.5

! Thr-89 
assign (resid 89 and name HA )(resid 92 and name HN ) 4.0 2.2 1.0
assign (resid 89 and name HB )(resid 50 and name HN ) 4.5 2.7 1.5 

! His-90 
assign (resid 90 and name HB# )(resid 50 and name HN ) 4.5 3.7 2.5

! Glu-92 
assign (resid 92 and name HN )(resid 94 and name HN ) 4.0 3.2 2.0
assign (resid 92 and name HN )(resid 96 and name HN ) 4.0 3.2 2.0
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Contact the webmaster for help, if required. Thursday, May 16, 2024 12:14:48 AM GMT (wattos1)
image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	3404	1dox	cing	1-original	1	XPLOR/CNS	distance	NOE	simple