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

26616 2npl 7291 cing 1-original 1 XPLOR/CNS distance NOE simple


!! HN/corrected distance 7/7/06/took out ha-ha restraints from hbonds


!Gly1

!Ser2
assign (resid 1 and name ha#)(resid 2 and name hn) 2.5 0.7 0.4

!Ser3
assign (resid 2 and name ha)(resid 3 and name hn) 2.5 0.7 0.4

!Gly4
assign (resid 3 and name ha)(resid 4 and name hn)  2.5 0.7 0.4
assign (resid 3 and name hb#)(resid 4 and name hn) 3.0 1.2 0.5
assign (resid 4 and name ha#)(resid 4 and name hn)  3.0 1.2 0.5
assign (resid 27 and name ha)(resid 4 and name hn) 3.0 1.2 0.5
assign (resid 4 and name ha#)(resid 28 and name hn)  4.0 2.2 2.0  !!3.0 1.2 0.5  !!!long
assign (resid 4 and name ha#)(resid 29 and name hn)  4.0 2.2 2.0  !!3.0 1.2 0.5  !!!long
assign (resid 26 and name hg#)(resid 4 and name hn)  4.0 2.2 1.0  !!!long 
assign (resid 26 and name hb#)(resid 4 and name hn)  4.0 2.2 1.0  !!!long

!Ala5
assign (resid 5 and name ha)(resid 5 and name hn)  3.0 1.2 0.5
assign (resid 5 and name ha)(resid 25 and name ha)  3.0 1.2 0.5    !!!long
assign (resid 4 and name ha#)(resid 5 and name hn) 2.5 0.7 0.4
assign (resid 5 and name hb#)(resid 5 and name hn) 3.0 1.2 0.5
assign (resid 5 and name hb#)(resid 82 and name hn) 4.0 2.2 1.5  !!!long
assign (resid 5 and name hb#)(resid 83 and name hn) 4.0 2.2 1.5  !!!long
assign (resid 27 and name hb#)(resid 4 and name hn)  4.0 2.2 1.0  !!!long

!Arg6
assign (resid 6 and name hb#)(resid 6 and name hn) 3.0 1.2 0.5
assign (resid 5 and name hb#)(resid 6 and name hn) 2.5 0.7 0.4
assign (resid 5 and name ha)(resid 6 and name hn)  2.5 0.7 0.4
assign (resid 6 and name ha)(resid 6 and name hn)  3.0 1.2 0.5
assign (resid 24 and name hn)(resid 6 and name hn) 3.0 1.2 0.5  !!long

!Cys7
assign (resid 6 and name ha)(resid 7 and name hn) 2.5 0.7 0.4
assign (resid 7 and name ha)(resid 7 and name hn) 3.0 1.2 0.5
assign (resid 7 and name hb#)(resid 7 and name hn) 4.0 2.2 1.0
assign (resid 6 and name hb#)(resid 7 and name hn) 4.0 2.2 1.0
assign (resid 23 and name ha)(resid 7 and name ha) 3.0 1.2 0.3  !!!long

!Tyr8
assign (resid 7 and name ha)(resid 8 and name hn) 2.5 0.7 0.4
assign (resid 8 and name ha)(resid 8 and name hn) 3.0 1.2 0.5
assign (resid 8 and name hb#)(resid 8 and name hn) 3.0 1.2 0.5
assign (resid 7 and name hb#)(resid 8 and name hn) 4.0 2.2 1.0
assign (resid 23 and name ha)(resid 8 and name hn) 4.0 2.2 1.0 !!long
assign (resid 22 and name hn)(resid 8 and name hn) 4.0 2.2 1.0 !!long

!Val9
assign (resid 8 and name ha)(resid 9 and name hn)  2.5 0.7 0.4
assign (resid 9 and name ha)(resid 9 and name hn)  3.0 1.2 0.5
assign (resid 8 and name hb#)(resid 9 and name hn) 3.0 1.2 0.5
assign (resid 9 and name hb)(resid 9 and name hn)  3.0 1.2 0.5
assign (resid 9 and name hg*)(resid 9 and name hn) 4.0 2.2 1.5

!Asp10
assign (resid 20 and name hn)(resid 10 and name hn)  4.0 2.2 1.0  !!long ??
assign (resid 21 and name ha)(resid 10 and name hn)  4.0 2.2 1.0  !!long ??
assign (resid 9 and name ha)(resid 10 and name hn)   2.5 0.7 0.4
assign (resid 10 and name ha)(resid 10 and name hn)  3.0 1.2 0.5
assign (resid 10 and name hb#)(resid 10 and name hn) 3.0 1.2 0.5
assign (resid 9 and name hg*)(resid 10 and name hn)  4.0 2.2 1.5

!Gly11
assign (resid 10 and name ha)(resid 11 and name hn)  2.5 0.7 0.4
assign (resid 11 and name ha#)(resid 11 and name hn) 3.0 1.2 0.5
assign (resid 10 and name hb#)(resid 11 and name hn) 4.0 2.2 1.0
assign (resid 11 and name ha#)(resid 19 and name ha) 3.0 1.2 0.5

!Ser12
assign (resid 11 and name ha#)(resid 12 and name hn)  2.5 0.7 0.4
assign (resid 12 and name ha)(resid 12 and name hn)   3.0 1.2 0.5
assign (resid 12 and name hb#)(resid 12 and name hn)  3.0 1.2 0.5
assign (resid 19 and name ha)(resid 12 and name hn)   3.0 1.2 0.5  !!long 
assign (resid 18 and name hn)(resid 12 and name hn)   3.0 1.2 0.5  !!long

!Glu13
assign (resid 12 and name ha)(resid 13 and name hn)   2.5 0.7 0.4
assign (resid 12 and name hb#)(resid 13 and name hn)  3.0 1.2 0.5
assign (resid 13 and name ha)(resid 13 and name hn)   3.0 1.2 0.5
assign (resid 13 and name hb#)(resid 13 and name hn)  3.0 1.2 0.5
assign (resid 90 and name ha)(resid 13 and name hn)   3.0 1.2 0.5

!Glu14
assign (resid 13 and name hn)(resid 14 and name hn)   4.0 2.2 1.0
assign (resid 13 and name ha)(resid 14 and name hn)   2.5 0.7 0.4
assign (resid 14 and name ha)(resid 14 and name hn)   3.0 1.2 0.5
assign (resid 13 and name hb#)(resid 14 and name hn)  3.0 1.2 0.5
assign (resid 17 and name hb#)(resid 14 and name hn) 4.0 2.2 1.0 !!3.0 1.2 0.5
assign (resid 12 and name hb#)(resid 14 and name hn) 4.0 2.2 2.0
assign (resid 12 and name ha)(resid 14 and name hn)  4.0 2.2 2.0   !!4.37ppm
assign (resid 19 and name hd*)(resid 14 and name hn)  4.0 2.2 2.0  !!4.0 2.2 1.0
assign (resid 90 and name hg*)(resid 14 and name hn)  4.0 2.2 1.5   !!!long
assign (resid 91 and name hn)(resid 14 and name ha)   4.0 2.2 1.0   !!!long

!Ile15
assign (resid 14 and name ha)(resid 15 and name hn)   2.5 0.7 0.4
assign (resid 14 and name hn)(resid 15 and name hn)   4.0 2.2 1.0
assign (resid 15 and name ha)(resid 15 and name hn)   3.0 1.2 0.5
assign (resid 92 and name ha)(resid 15 and name hn)   3.0 1.2 0.5   !!long ??
!!assign (resid 92 and name hd#)(resid 15 and name hn)  4.0 2.2 1.0   !!long ??
assign (resid 90 and name hg*)(resid 15 and name hn)  4.0 2.2 1.5   !!!long ??
assign (resid 91 and name hn)(resid 15 and name hn)   4.0 2.2 1.0   !!!long ??

!Gly16
assign (resid 15 and name ha)(resid 16 and name hn)   3.0 1.2 0.5
assign (resid 15 and name hn)(resid 16 and name hn)   4.0 2.2 1.0
assign (resid 16 and name ha#)(resid 16 and name hn)  3.0 1.2 0.5
assign (resid 90 and name hg*)(resid 16 and name hn)  4.0 2.2 1.5   !!!long ??
assign (resid 65 and name hn)(resid 16 and name hn)  4.0 2.2 1.0   !!!long ??

!Ser17
assign (resid 15 and name ha)(resid 17 and name hn)   4.0 2.2 1.0
assign (resid 16 and name ha#)(resid 17 and name hn)  3.0 1.2 0.5
assign (resid 16 and name hn)(resid 17 and name hn)   3.0 1.2 0.5
assign (resid 17 and name ha)(resid 17 and name hn)   3.0 1.2 0.5
assign (resid 62 and name hn)(resid 17 and name hn)   4.0 2.2 1.0  !!long new
assign (resid 63 and name hb#)(resid 17 and name hn)  4.0 2.2 1.0  !!long new
assign (resid 17 and name hb#)(resid 17 and name hn)  3.0 1.2 0.5
assign (resid 90 and name hg*)(resid 17 and name hn)  4.0 2.2 2.5   !!!long ??

!Asp18
assign (resid 17 and name ha)(resid 18 and name hn)   2.5 0.7 0.4
assign (resid 17 and name hb#)(resid 18 and name hn)  3.0 1.2 0.5 
assign (resid 18 and name ha)(resid 18 and name hn)   3.0 1.2 0.5
assign (resid 18 and name hb#)(resid 18 and name hn)  3.0 1.2 0.5 
assign (resid 12 and name hn)(resid 18 and name hn)   3.0 1.2 0.5

!Phe19
assign (resid 18 and name ha)(resid 19 and name hn)   2.5 0.7 0.4
assign (resid 19 and name ha)(resid 19 and name hn)   3.0 1.2 0.5 
assign (resid 19 and name hb#)(resid 19 and name hn)  4.0 2.2 1.0
assign (resid 60 and name hg*)(resid 19 and name hn)  4.0 2.2 1.0  !!!long 
assign (resid 60 and name hb)(resid 19 and name hn)   4.0 2.2 1.0  !!!long 
assign (resid 60 and name hn)(resid 19 and name hn)   3.0 1.2 0.5  !!!long
assign (resid 61 and name ha)(resid 19 and name hn)   3.0 1.2 0.5  !!!long
assign (resid 59 and name ha)(resid 19 and name hn)   4.0 2.2 2.0  !!!long
assign (resid 62 and name hn)(resid 19 and name hn)   4.0 2.2 2.0  !!!long

!Lys20
assign (resid 10 and name hn)(resid 20 and name hn)    4.0 2.2 1.0  !!long
assign (resid 11 and name ha#)(resid 20 and name hn)   4.0 2.2 1.0  !!long   
assign (resid 19 and name ha)(resid 20 and name hn)    2.5 0.7 0.4
assign (resid 19 and name hd*)(resid 20 and name hn)   3.0 1.2 0.5
assign (resid 20 and name ha)(resid 20 and name hn)    3.0 1.2 0.5
assign (resid 20 and name hb#)(resid 20 and name hn)   3.0 1.2 0.5

!Ile21
assign (resid 19 and name hd*)(resid 21 and name hn)   4.0 2.2 2.0
assign (resid 20 and name hb#)(resid 21 and name hn)   3.0 1.2 0.5
assign (resid 20 and name ha)(resid 21 and name hn)    2.5 0.7 0.4 
assign (resid 21 and name ha)(resid 21 and name hn)    3.0 1.2 0.5 
assign (resid 58 and name hn)(resid 21 and name hn)    4.0 2.2 1.0  !!!long
assign (resid 59 and name ha)(resid 21 and name hn)    3.0 1.2 0.5  !!!long

!Lys22
assign (resid 21 and name ha)(resid 22 and name hn)  2.5 0.7 0.4 
assign (resid 22 and name ha)(resid 22 and name hn)  3.0 1.2 0.5 
assign (resid 9 and name ha)(resid 22 and name hn)   3.0 1.2 0.5  !!long
assign (resid 8 and name hn)(resid 22 and name hn)   4.0 2.2 1.0  !!long
assign (resid 10 and name hn)(resid 22 and name hn)  4.0 2.2 1.0  !!long
assign (resid 36 and name hh2)(resid 22 and name hn)  4.0 2.2 1.0  !!long
assign (resid 21 and name hb#)(resid 22 and name hn)   3.0 1.2 0.5

!Cys23
assign (resid 22 and name ha)(resid 23 and name hn) 2.5 0.7 0.4 !s
assign (resid 23 and name ha)(resid 23 and name hn) 3.0 1.2 0.5 !m
assign (resid 23 and name hb#)(resid 23 and name hn) 3.0 1.2 0.5 !m
assign (resid 22 and name hb#)(resid 23 and name hn) 4.0 2.2 1.0 !m
assign (resid 36 and name hz2)(resid 23 and name hn) 4.0 2.2 1.0   !!!long
assign (resid 36 and name hh2)(resid 23 and name hn) 4.0 2.2 1.0   !!!long
assign (resid 57 and name ha)(resid 23 and name hn)  3.0 1.2 0.5 
assign (resid 56 and name hn)(resid 23 and name hn)  3.0 1.2 0.5

!Glu24
assign (resid 6 and name hn)(resid 24 and name hn)  4.0 2.2 1.0 !!long
assign (resid 24 and name ha)(resid 24 and name hn) 3.0 1.2 0.5
assign (resid 23 and name ha)(resid 24 and name hn) 2.5 0.7 0.4
assign (resid 7 and name ha)(resid 24 and name hn)  4.0 2.2 1.0  !!long

!Pro25
assign (resid 6 and name hn)(resid 25 and name ha)   3.0 1.2 0.5  !!long  ???

!Lys26
assign (resid 5 and name ha)(resid 26 and name hn)    3.0 1.2 0.5  !!long  ???
assign (resid 25 and name ha)(resid 26 and name hn)   2.5 0.7 0.4
assign (resid 26 and name ha)(resid 26 and name hn)   3.0 1.2 0.5
assign (resid 25 and name hb#)(resid 26 and name hn)  3.0 1.2 0.5

!Glu27
assign (resid 26 and name ha)(resid 27 and name hn) 2.5 0.7 0.5
assign (resid 27 and name ha)(resid 27 and name hn) 3.0 1.2 0.5
assign (resid 25 and name ha)(resid 27 and name hn) 4.0 2.2 1.0

!Gly28
assign (resid 27 and name ha)(resid 28 and name hn)  2.5 0.7 0.4
assign (resid 27 and name hn)(resid 28 and name hn)  4.0 2.2 1.0
assign (resid 28 and name ha#)(resid 28 and name hn) 3.0 1.2 0.5
assign (resid 3 and name ha)(resid 28 and name hn)  4.0 2.2 1.0  !!!long

!Ser29
assign (resid 28 and name hn)(resid 29 and name hn)  3.0 1.2 0.5
assign (resid 28 and name ha#)(resid 29 and name hn)  3.0 1.2 0.5
assign (resid 29 and name ha)(resid 29 and name hn) 3.0 1.2 0.5
!!assign (resid 55 and name ha)(resid 29 and name hn)  4.0 2.2 1.0   !!!long

!Leu30
assign (resid 29 and name hn)(resid 30 and name hn)   4.0 2.2 1.0 !!3.0 1.2 0.5
assign (resid 29 and name ha)(resid 30 and name hn)   3.0 1.2 0.5
assign (resid 30 and name ha)(resid 30 and name hn)   3.0 1.2 0.5

!Pro31

!Leu32
assign (resid 77 and name ha)(resid 32 and name hn)  3.0 1.2 0.5  !!!long
assign (resid 31 and name ha)(resid 32 and name hn)  3.0 1.2 0.5 
assign (resid 32 and name ha)(resid 32 and name hn)  3.0 1.2 0.5 

!Gln33
assign (resid 31 and name ha)(resid 33 and name hn)  4.0 2.2 1.0
assign (resid 32 and name hn)(resid 33 and name hn)  3.0 1.2 0.5
assign (resid 32 and name ha)(resid 33 and name hn)  3.0 1.2 0.5
assign (resid 33 and name ha)(resid 33 and name hn)  3.0 1.2 0.5
assign (resid 77 and name ha)(resid 33 and name hn)  3.0 1.2 0.5

!Tyr34
assign (resid 33 and name ha)(resid 34 and name hn)   2.5 0.7 0.4
assign (resid 34 and name ha)(resid 34 and name hn)   3.0 1.2 0.5
assign (resid 34 and name hb#)(resid 34 and name hn)  3.0 1.2 0.5
assign (resid 33 and name hb#)(resid 34 and name hn)  3.0 1.2 0.5
assign (resid 34 and name hd*)(resid 34 and name hn)  3.0 1.2 0.5

!Glu35
assign (resid 34 and name ha)(resid 35 and name hn)  2.5 0.7 0.4
assign (resid 35 and name ha)(resid 35 and name hn)  3.0 1.2 0.5
assign (resid 74 and name hn)(resid 35 and name hn)  4.0 2.2 1.0   !!!long
assign (resid 74 and name hb)(resid 35 and name hn)  4.0 2.2 1.0   !!!long
assign (resid 34 and name hb#)(resid 35 and name hn) 3.0 1.2 0.5
assign (resid 35 and name hb#)(resid 35 and name hn) 3.0 1.2 0.5
assign (resid 75 and name ha)(resid 35 and name hn)  3.0 1.2 0.5   !!!long

!Trp36
assign (resid 35 and name ha)(resid 36 and name hn) 2.5 0.7 0.4
assign (resid 36 and name ha)(resid 36 and name hn) 3.0 1.2 0.5
assign (resid 53 and name ha)(resid 36 and name hn) 4.0 2.2 1.0    !!!long
assign (resid 54 and name ha)(resid 36 and name hn) 4.0 2.2 1.0    !!!long
assign (resid 74 and name hn)(resid 36 and name ha) 3.0 1.2 0.5    !!!long
assign (resid 73 and name ha)(resid 36 and name ha) 3.0 1.2 0.5

!Gln37
assign (resid 72 and name hn)(resid 37 and name hn) 3.0 1.2 0.5   !!long
assign (resid 36 and name ha)(resid 37 and name hn) 2.5 0.7 0.4
assign (resid 36 and name hb#)(resid 37 and name hn) 3.0 1.2 0.5
assign (resid 37 and name hb#)(resid 37 and name hn) 3.0 1.2 0.5
assign (resid 37 and name ha)(resid 37 and name hn) 3.0 1.2 0.5
assign (resid 73 and name ha)(resid 37 and name hn) 3.0 1.2 0.5   !!long

!Lys38
assign (resid 37 and name ha)(resid 38 and name hn)  2.5 0.7 0.4
assign (resid 38 and name ha)(resid 38 and name hn)  3.0 1.2 0.5
assign (resid 37 and name hb#)(resid 38 and name hn)  3.0 1.2 0.5
assign (resid 38 and name hb#)(resid 38 and name hn)  3.0 1.2 0.5

!Lys39
assign (resid 38 and name ha)(resid 39 and name hn)  2.5 0.7 0.4
assign (resid 39 and name ha)(resid 39 and name hn)  3.0 1.2 0.5
assign (resid 38 and name hb#)(resid 39 and name hn)  3.0 1.2 0.5
assign (resid 39 and name hb#)(resid 39 and name hn)  3.0 1.2 0.5
assign (resid 71 and name ha)(resid 39 and name hn)  3.0 1.2 0.5  !!long

!Ser40
!!assign (resid 38 and name ha)(resid 40 and name hn)   3.0 1.2 0.5
assign (resid 39 and name ha)(resid 40 and name hn)   3.0 1.2 0.5
assign (resid 39 and name hb#)(resid 40 and name hn)  3.0 1.2 0.5
assign (resid 39 and name hn)(resid 40 and name hn)   3.0 1.2 0.5 !2.5 0.7 0.4
assign (resid 40 and name ha)(resid 40 and name hn)   3.0 1.2 0.5
assign (resid 41 and name ha)(resid 40 and name hn)   4.0 2.2 1.0  !!new

!Asp41
assign (resid 40 and name ha)(resid 41 and name hn)   3.0 1.2 0.5
assign (resid 40 and name hb#)(resid 41 and name hn)   3.0 1.2 0.5
assign (resid 41 and name ha)(resid 41 and name hn)   3.0 1.2 0.5
assign (resid 41 and name hb#)(resid 41 and name hn)   3.0 1.2 0.5
assign (resid 39 and name hn)(resid 41 and name hn)   4.0 2.2 2.0  !!4.0 2.2 1.0   !!new 

!Ser42
assign (resid 41 and name hn)(resid 42 and name hn) 3.0 1.2 0.5
assign (resid 41 and name ha)(resid 42 and name hn) 3.0 1.2 0.5
assign (resid 42 and name ha)(resid 42 and name hn) 3.0 1.2 0.5
assign (resid 41 and name hb#)(resid 42 and name hn) 3.0 1.2 0.5   !!new

!Gln43
assign (resid 40 and name ha)(resid 43 and name hn)   4.0 2.2 1.0   !!new
assign (resid 42 and name ha)(resid 43 and name hn)   3.0 1.2 0.5
assign (resid 43 and name ha)(resid 43 and name hn)   3.0 1.2 0.5
assign (resid 42 and name hn)(resid 43 and name hn)   3.0 1.2 0.5  
assign (resid 42 and name hb#)(resid 43 and name hn)  3.0 1.2 0.5 
assign (resid 43 and name hb#)(resid 43 and name hn)  3.0 1.2 0.5

!Lys44
assign (resid 43 and name hn)(resid 44 and name hn)  3.0 1.2 0.5
assign (resid 44 and name ha)(resid 44 and name hn)  3.0 1.2 0.5
assign (resid 43 and name ha)(resid 44 and name hn)  3.0 1.2 0.5
assign (resid 42 and name ha)(resid 44 and name hn)  4.0 2.2 2.0  !!4.0 2.2 1.0  
assign (resid 42 and name hb#)(resid 44 and name hn)  3.0 1.2 0.5
assign (resid 43 and name hb#)(resid 44 and name hn)  3.0 1.2 0.5
assign (resid 44 and name hb#)(resid 44 and name hn)  3.0 1.2 0.5

!Met45
assign (resid 44 and name ha)(resid 45 and name hn)  2.5 0.7 0.4
assign (resid 45 and name ha)(resid 45 and name hn)  3.0 1.2 0.5
assign (resid 44 and name hn)(resid 45 and name hn) 4.0 2.2 1.0  !!3.0 1.2 0.5
assign (resid 45 and name hb#)(resid 45 and name hn)  3.0 1.2 0.5
assign (resid 44 and name hb#)(resid 45 and name hn)  3.0 1.2 0.5
!!assign (resid 51 and name ha)(resid 45 and name hn)  3.0 1.2 0.5   !!!long

!Pro46

!Thr47
assign (resid 46 and name ha)(resid 47 and name hn)   3.0 1.2 0.5  !2.5 0.7 0.4
assign (resid 46 and name hb#)(resid 47 and name hn)  3.0 1.2 0.5
assign (resid 47 and name ha)(resid 47 and name hn)   3.0 1.2 0.5
assign (resid 47 and name hb#)(resid 47 and name hn)  3.0 1.2 0.5
assign (resid 47 and name hg2#)(resid 47 and name hn)  3.0 1.2 0.5
assign (resid 48 and name ha)(resid 47 and name hn)   4.0 2.2 1.0  !!new

!Ser48
assign (resid 45 and name ha)(resid 48 and name hn)  3.0 1.2 0.5  !!new
assign (resid 47 and name hn)(resid 48 and name hn)  2.5 0.7 0.4   !!new
assign (resid 47 and name ha)(resid 48 and name hn)  3.0 1.2 0.5
assign (resid 47 and name hb)(resid 48 and name hn)  3.0 1.2 0.5
assign (resid 48 and name ha)(resid 48 and name hn)  3.0 1.2 0.5
assign (resid 48 and name hb#)(resid 48 and name hn)  3.0 1.2 0.5
assign (resid 47 and name hg2#)(resid 48 and name hn)  4.0 2.2 1.5

!Trp49
assign (resid 46 and name ha)(resid 49 and name hn)  3.0 1.2 0.5  !!new
assign (resid 48 and name hn)(resid 49 and name hn) 2.5 0.7 0.4
assign (resid 48 and name ha)(resid 49 and name hn) 3.0 1.2 0.5
assign (resid 49 and name ha)(resid 49 and name hn) 3.0 1.2 0.5
assign (resid 45 and name ha)(resid 49 and name hn) 4.0 2.2 1.0   !!!long
assign (resid 48 and name hb#)(resid 49 and name hn) 3.0 1.2 0.5
assign (resid 49 and name hb#)(resid 49 and name hn) 3.0 1.2 0.5
assign (resid 60 and name hg*)(resid 49 and name he1) 4.0 2.2 1.5   !!!long ????

!Leu50
assign (resid 47 and name ha)(resid 50 and name hn)  3.0 1.2 0.5  !!new
assign (resid 49 and name ha)(resid 50 and name hn)  3.0 1.2 0.5
assign (resid 50 and name ha)(resid 50 and name hn)  3.0 1.2 0.5
assign (resid 49 and name hn)(resid 50 and name hn)  2.5 0.7 0.4
assign (resid 50 and name hb#)(resid 50 and name hn)  3.0 1.2 0.5
assign (resid 49 and name hb#)(resid 50 and name hn)  4.0 2.2 1.0
assign (resid 48 and name ha)(resid 50 and name hn)   3.0 1.2 0.5

!Ala51
assign (resid 48 and name ha)(resid 51 and name hn)   3.0 1.2 0.5
assign (resid 49 and name ha)(resid 51 and name hn)   4.0 2.2 1.0
assign (resid 50 and name ha)(resid 51 and name hn)   3.0 1.2 0.5
!!assign (resid 51 and name ha)(resid 51 and name hn)   4.0 2.2 1.0
assign (resid 50 and name hn)(resid 51 and name hn)   2.5 0.7 0.4
assign (resid 51 and name hb#)(resid 51 and name hn)  3.0 1.2 0.5
assign (resid 50 and name hb#)(resid 51 and name hn)  3.0 1.2 0.5

!Glu52
assign (resid 51 and name hn)(resid 52 and name hn) 2.5 0.7 0.4
assign (resid 49 and name ha)(resid 52 and name hn) 3.0 1.2 0.5
assign (resid 50 and name ha)(resid 52 and name hn) 4.0 2.2 1.0
assign (resid 51 and name ha)(resid 52 and name hn) 3.0 1.2 0.5
assign (resid 52 and name ha)(resid 52 and name hn) 3.0 1.2 0.5
assign (resid 51 and name hb#)(resid 52 and name hn) 4.0 2.2 1.0
assign (resid 52 and name hb#)(resid 52 and name hn) 3.0 1.2 0.5

!Met53
assign (resid 52 and name ha)(resid 53 and name hn) 3.0 1.2 0.5
assign (resid 53 and name ha)(resid 53 and name hn) 3.0 1.2 0.5
assign (resid 51 and name ha)(resid 53 and name hn) 4.0 2.2 1.0
assign (resid 52 and name hn)(resid 53 and name hn) 2.5 0.7 0.4
assign (resid 50 and name ha)(resid 53 and name hn) 3.0 1.2 0.5
assign (resid 52 and name hb#)(resid 53 and name hn) 3.0 1.2 0.5
assign (resid 53 and name hb#)(resid 53 and name hn) 3.0 1.2 0.5

!Thr54
assign (resid 53 and name ha)(resid 54 and name hn) 3.0 1.2 0.5
assign (resid 54 and name ha)(resid 54 and name hn) 3.0 1.2 0.5
assign (resid 35 and name ha)(resid 54 and name hn) 4.0 2.2 1.0
assign (resid 53 and name hn)(resid 54 and name hn) 2.5 0.7 0.4
assign (resid 51 and name ha)(resid 54 and name hn) 3.0 1.2 0.5
assign (resid 52 and name ha)(resid 54 and name hn) 4.0 2.2 1.0
assign (resid 54 and name hb)(resid 54 and name hn) 4.0 2.2 1.0  
assign (resid 53 and name hb#)(resid 54 and name hn) 4.0 2.2 1.0
assign (resid 53 and name hg2#)(resid 54 and name hn) 4.0 2.2 1.0

!Ser55
assign (resid 54 and name ha)(resid 55 and name hn) 3.0 1.2 0.5
assign (resid 55 and name ha)(resid 55 and name hn) 3.0 1.2 0.5
assign (resid 36 and name hd1)(resid 55 and name hn) 4.0 2.2 1.0   !!!long  
assign (resid 54 and name hb)(resid 55 and name hn) 3.0 1.2 0.5  
assign (resid 53 and name ha)(resid 55 and name hn) 4.0 2.2 2.0  !!4.0 2.2 1.0    !!!long
assign (resid 52 and name ha)(resid 55 and name hn) 3.0 1.2 0.5   !!!long

!Ser56
assign (resid 55 and name ha)(resid 56 and name hn) 3.0 1.2 0.5
assign (resid 56 and name ha)(resid 56 and name hn) 3.0 1.2 0.5
assign (resid 55 and name hb#)(resid 56 and name hn) 3.0 1.2 0.5
assign (resid 56 and name hb#)(resid 56 and name hn) 3.0 1.2 0.5
assign (resid 34 and name hd*)(resid 56 and name hn) 4.0 2.2 2.0   !!!long  

!Val57
assign (resid 55 and name hb#)(resid 57 and name hn) 3.0 1.2 0.5
assign (resid 55 and name ha)(resid 57 and name hn)  3.0 1.2 0.5
assign (resid 56 and name hn)(resid 57 and name hn)  2.5 0.7 0.4
assign (resid 57 and name ha)(resid 57 and name hn)  3.0 1.2 0.5
assign (resid 56 and name ha)(resid 57 and name hn)  3.0 1.2 0.5
assign (resid 56 and name hb#)(resid 57 and name hn) 3.0 1.2 0.5
assign (resid 57 and name hb)(resid 57 and name hn) 3.0 1.2 0.5

!Ile58
assign (resid 57 and name ha)(resid 58 and name hn) 2.5 0.7 0.4
assign (resid 58 and name ha)(resid 58 and name hn) 3.0 1.2 0.5
assign (resid 21 and name hn)(resid 58 and name hn) 4.0 2.2 1.0    !!!long ????
assign (resid 57 and name hb)(resid 58 and name hn) 3.0 1.2 0.5
assign (resid 58 and name hb)(resid 58 and name hn) 3.0 1.2 0.5

!Ser59
assign (resid 58 and name ha)(resid 59 and name hn) 2.5 0.7 0.4
assign (resid 59 and name ha)(resid 59 and name hn) 3.0 1.2 0.5
assign (resid 59 and name hb#)(resid 59 and name hn) 3.0 1.2 0.5
assign (resid 58 and name hb)(resid 59 and name hn) 4.0 2.2 1.0

!Val60
assign (resid 59 and name ha)(resid 60 and name hn) 2.5 0.7 0.4
assign (resid 60 and name ha)(resid 60 and name hn) 3.0 1.2 0.5
assign (resid 19 and name hn)(resid 60 and name hn) 4.0 2.2 1.0 !!long new
assign (resid 20 and name ha)(resid 60 and name hn) 3.0 1.2 0.5 !! long new
assign (resid 19 and name hd*)(resid 60 and name hn) 4.0 2.2 1.0 !!long new
assign (resid 59 and name hb#)(resid 60 and name hn) 3.0 1.2 0.5
assign (resid 60 and name hb)(resid 60 and name hn) 3.0 1.2 0.5

!Lys61
assign (resid 60 and name ha)(resid 61 and name hn) 2.5 0.7 0.4
assign (resid 61 and name ha)(resid 61 and name hn) 3.0 1.2 0.5
assign (resid 60 and name hb)(resid 61 and name hn) 4.0 2.2 1.0
assign (resid 61 and name hb#)(resid 61 and name hn) 3.0 1.2 0.5
assign (resid 60 and name hg*)(resid 61 and name hn) 3.0 1.2 0.5

!Asn62
assign (resid 61 and name hn)(resid 62 and name hn) 4.0 2.2 1.0
assign (resid 62 and name ha)(resid 62 and name hn) 3.0 1.2 0.5
assign (resid 61 and name ha)(resid 62 and name hn) 3.0 1.2 0.5
assign (resid 18 and name ha)(resid 62 and name hn) 3.0 1.2 0.5   !!!long
assign (resid 17 and name hn)(resid 62 and name hn) 4.0 2.2 1.0   !!!long
assign (resid 62 and name hb#)(resid 62 and name hn) 3.0 1.2 0.5
assign (resid 61 and name hb#)(resid 62 and name hn) 4.0 2.2 2.0

!Ala63
assign (resid 17 and name hn)(resid 63 and name hn) 4.0 2.2 1.0    !!long
assign (resid 16 and name hn)(resid 63 and name hn) 4.0 2.2 1.0    !!long
assign (resid 16 and name ha#)(resid 63 and name hn) 3.0 2.2 1.0    !!long
assign (resid 18 and name ha)(resid 63 and name hn) 4.0 2.2 2.0    !!long
assign (resid 62 and name ha)(resid 63 and name hn) 3.0 1.2 0.5
assign (resid 63 and name ha)(resid 63 and name hn) 3.0 1.2 0.5
assign (resid 61 and name ha)(resid 63 and name hn) 4.0 2.2 1.0
assign (resid 62 and name hn)(resid 63 and name hn) 3.0 1.2 0.5
assign (resid 19 and name he*)(resid 63 and name hn) 4.0 2.2 1.0   !!!long
assign (resid 62 and name hb#)(resid 63 and name hn) 4.0 2.2 1.0
assign (resid 63 and name hb#)(resid 63 and name hn) 3.0 1.2 0.5

!Ser64
assign (resid 63 and name ha)(resid 64 and name hn) 3.0 1.2 0.5 !!2.5 0.7 0.4
assign (resid 64 and name ha)(resid 64 and name hn) 3.0 1.2 0.5
assign (resid 67 and name hd*)(resid 64 and name hn) 3.0 1.2 0.5   !!!long
assign (resid 63 and name hb#)(resid 64 and name hn) 3.0 1.2 0.5
assign (resid 64 and name hb#)(resid 64 and name hn) 3.0 1.2 0.5
assign (resid 63 and name hn)(resid 64 and name hn) 4.0 2.2 1.0

!Ser65
assign (resid 64 and name ha)(resid 65 and name hn) 2.5 0.7 0.4
assign (resid 65 and name ha)(resid 65 and name hn) 3.0 1.2 0.5
assign (resid 64 and name hb#)(resid 65 and name hn) 3.0 1.2 0.5
assign (resid 65 and name hb#)(resid 65 and name hn) 3.0 1.2 0.5
assign (resid 64 and name hn)(resid 65 and name hn) 4.0 2.2 1.0
assign (resid 64 and name ha)(resid 65 and name ha) 4.0 2.2 1.0

!Glu66
assign (resid 64 and name hb#)(resid 66 and name hn) 2.5 1.2 0.5
assign (resid 64 and name ha)(resid 66 and name hn) 3.0 1.2 0.5
assign (resid 64 and name hn)(resid 66 and name hn) 4.0 2.2 1.0
assign (resid 65 and name hb#)(resid 66 and name hn) 4.0 2.2 1.0
assign (resid 66 and name hb#)(resid 66 and name hn) 3.0 1.2 0.5
assign (resid 65 and name ha)(resid 66 and name hn) 3.0 1.2 0.5
assign (resid 66 and name ha)(resid 66 and name hn) 3.0 1.2 0.5
assign (resid 65 and name hn)(resid 66 and name hn) 3.0 1.2 1.0
assign (resid 67 and name hd*)(resid 66 and name hn) 4.0 2.2 1.0


!Tyr67
assign (resid 64 and name hn)(resid 67 and name hn) 4.0 2.2 1.0  !!3.0 1.2 0.5
assign (resid 64 and name ha)(resid 67 and name hn) 4.0 2.2 1.0
assign (resid 65 and name ha)(resid 67 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 66 and name ha)(resid 67 and name hn) 3.0 1.2 0.5
assign (resid 67 and name ha)(resid 67 and name hn) 3.0 1.2 0.5
assign (resid 67 and name hd*)(resid 67 and name hn) 3.0 1.2 0.5
assign (resid 67 and name hb#)(resid 67 and name hn) 3.0 1.2 0.5
assign (resid 66 and name hb#)(resid 67 and name hn) 4.0 2.2 1.0

!Ser68
assign (resid 67 and name hn)(resid 68 and name hn) 3.0 1.2 0.5  !!2.5 0.7 0.4
assign (resid 67 and name hb#)(resid 68 and name hn) 4.0 2.2 1.0  !!3.0 1.2 0.5
assign (resid 67 and name ha)(resid 68 and name hn) 3.0 1.2 0.5
!!assign (resid 65 and name ha)(resid 68 and name hn) 4.0 2.2 1.0  !!!long ???
assign (resid 68 and name ha)(resid 68 and name hn) 3.0 1.2 0.5
assign (resid 68 and name hb#)(resid 68 and name hn) 3.0 1.2 0.5
assign (resid 67 and name hd*)(resid 68 and name hn) 4.0 2.2 1.0

!Gly69
assign (resid 68 and name hn)(resid 69 and name hn)  4.0 2.2 1.0  
assign (resid 68 and name ha)(resid 69 and name hn)  2.5 0.7 0.4
assign (resid 69 and name ha#)(resid 69 and name hn) 3.0 1.2 0.5
assign (resid 88 and name hn)(resid 69 and name hn)  3.0 1.2 0.5  !!long
assign (resid 89 and name ha)(resid 69 and name hn)  3.0 1.2 0.5  !!long

!Thr70
assign (resid 69 and name ha#)(resid 70 and name hn) 2.5 0.7 0.4 
assign (resid 39 and name hn)(resid 70 and name hn) 4.0 2.2 1.0   !!long
assign (resid 40 and name ha)(resid 70 and name hn) 4.0 2.2 1.0   !!long
assign (resid 70 and name hb)(resid 70 and name hn) 3.0 1.2 0.5

!Tyr71
assign (resid 70 and name ha)(resid 71 and name hn) 2.5 0.7 0.4
assign (resid 71 and name ha)(resid 71 and name hn) 3.0 1.2 0.5
assign (resid 86 and name hn)(resid 71 and name hn) 4.0 2.2 1.0
assign (resid 87 and name ha)(resid 71 and name hn) 3.0 1.2 0.5  !!long
assign (resid 38 and name ha)(resid 71 and name ha) 3.0 1.2 0.5  !!long

!Ser72
assign (resid 71 and name ha)(resid 72 and name hn) 2.5 0.7 0.4
assign (resid 72 and name ha)(resid 72 and name hn) 3.0 1.2 0.5
assign (resid 38 and name ha)(resid 72 and name hn) 3.0 1.2 0.5  !!long
assign (resid 71 and name hd*)(resid 72 and name hn) 3.0 1.2 0.5
assign (resid 71 and name he*)(resid 72 and name hn) 4.0 2.2 1.0

!Cys73
assign (resid 72 and name ha)(resid 73 and name hn) 2.5 0.7 0.4
assign (resid 85 and name ha)(resid 73 and name hn) 3.0 1.2 0.5  !!long

!Thr74
assign (resid 73 and name ha)(resid 74 and name hn) 2.5 0.7 0.4
assign (resid 73 and name hb#)(resid 74 and name hn) 3.0 1.2 0.5
assign (resid 74 and name ha)(resid 74 and name hn) 3.0 1.2 0.5
assign (resid 74 and name hb)(resid 74 and name hn) 3.0 1.2 0.5
assign (resid 74 and name hg2#)(resid 74 and name hn) 4.0 2.2 1.5
assign (resid 36 and name ha)(resid 74 and name hn) 4.0 2.2 1.0  !!!long

!Val75
assign (resid 74 and name ha)(resid 75 and name hn) 2.5 0.7 0.4
assign (resid 74 and name hb)(resid 75 and name hn) 3.0 1.2 0.5 
assign (resid 74 and name hg2#)(resid 75 and name hn) 3.0 1.2 1.0
assign (resid 75 and name ha)(resid 75 and name hn) 3.0 1.2 0.5 
assign (resid 75 and name hb)(resid 75 and name hn) 3.0 1.2 0.5
assign (resid 83 and name ha)(resid 75 and name hn) 3.0 1.2 0.5  !!long

!Arg76
assign (resid 75 and name ha)(resid 76 and name hn) 2.5 0.7 0.4
assign (resid 75 and name hb)(resid 76 and name hn) 3.0 1.2 0.5
assign (resid 76 and name ha)(resid 76 and name hn) 3.0 1.2 0.5
assign (resid 76 and name hb#)(resid 76 and name hn) 3.0 1.2 0.5
assign (resid 33 and name hn)(resid 76 and name hn) 3.0 1.2 0.5  !!!long
assign (resid 34 and name ha)(resid 76 and name hn) 3.0 1.2 0.5

!Asn77
assign (resid 76 and name ha)(resid 77 and name hn) 2.5 0.7 0.4
assign (resid 76 and name hb#)(resid 77 and name hn) 3.0 1.2 0.5
assign (resid 77 and name ha)(resid 77 and name hn) 3.0 1.2 0.5
assign (resid 77 and name hb#)(resid 77 and name hn) 3.0 1.2 0.5
assign (resid 81 and name ha)(resid 77 and name hn) 3.0 1.2 0.5  !!long
assign (resid 81 and name hb#)(resid 77 and name hn) 4.0 2.2 1.0  !!long

!Arg78
assign (resid 77 and name ha)(resid 78 and name hn)  3.0 1.2 0.5
assign (resid 77 and name hb#)(resid 78 and name hn)  3.0 1.2 0.5
assign (resid 78 and name ha)(resid 78 and name hn)  3.0 1.2 0.5
assign (resid 78 and name hb#)(resid 78 and name hn)  3.0 1.2 0.5

!Val79
assign (resid 77 and name ha)(resid 79 and name hn)  4.0 2.2 1.0
assign (resid 77 and name hn)(resid 79 and name hn)  4.0 2.2 1.0
assign (resid 77 and name hb#)(resid 79 and name hn)  3.0 1.2 0.5
assign (resid 78 and name hn)(resid 79 and name hn)  3.0 1.2 0.5
assign (resid 78 and name hb#)(resid 79 and name hn)  3.0 1.2 0.5
assign (resid 78 and name ha)(resid 79 and name hn)  3.0 1.2 0.5
assign (resid 79 and name ha)(resid 79 and name hn)  3.0 1.2 0.5
assign (resid 79 and name hb#)(resid 79 and name hn)  3.0 1.2 0.5
assign (resid 79 and name hg*)(resid 79 and name hn)  3.0 1.2 0.5

!Gly80
assign (resid 79 and name hn)(resid 80 and name hn)  3.0 1.2 0.5
assign (resid 79 and name ha)(resid 80 and name hn)  2.5 0.7 0.4
assign (resid 79 and name hb)(resid 80 and name hn)  4.0 2.2 1.0
assign (resid 79 and name hg*)(resid 80 and name hn)  3.0 1.2 0.5
assign (resid 80 and name ha#)(resid 80 and name hn)  3.0 1.2 0.5
assign (resid 77 and name hn)(resid 80 and name hn)  4.0 2.2 1.0  !!long

!Ser81
assign (resid 80 and name ha#)(resid 81 and name hn)  2.5 0.7 0.4
assign (resid 81 and name ha)(resid 81 and name hn)   3.0 1.2 0.5
assign (resid 81 and name hb#)(resid 81 and name hn)  3.0 1.2 0.5
assign (resid 76 and name ha)(resid 81 and name ha)   3.0 1.2 0.5  !!long 

!Asp82
assign (resid 81 and name ha)(resid 82 and name hn)  2.5 0.7 0.4
assign (resid 81 and name hb#)(resid 82 and name hn)  3.0 1.2 0.5
assign (resid 82 and name ha)(resid 82 and name hn)  3.0 1.2 0.5
assign (resid 82 and name hb#)(resid 82 and name hn)  3.0 1.2 0.5
assign (resid 75 and name hn)(resid 82 and name hn)  3.0 1.2 0.5  !!long
assign (resid 76 and name ha)(resid 82 and name hn)  3.0 1.2 0.5  !!long

!Gln83
assign (resid 82 and name ha)(resid 83 and name hn) 2.5 0.7 0.4
assign (resid 82 and name hb#)(resid 83 and name hn) 3.0 1.2 0.5
assign (resid 83 and name ha)(resid 83 and name hn) 3.0 1.2 0.5
assign (resid 83 and name hb#)(resid 83 and name hn) 3.0 1.2 0.5

!Cys84
assign (resid 83 and name ha)(resid 84 and name hn) 2.5 0.7 0.4
assign (resid 73 and name hn)(resid 84 and name hn) 4.0 2.2 1.0  !!long
assign (resid 74 and name ha)(resid 84 and name hn) 3.0 1.2 0.5  !!long

!Leu85
assign (resid 84 and name ha)(resid 85 and name hn) 2.5 0.7 0.4
assign (resid 85 and name ha)(resid 85 and name hn) 3.0 1.2 0.5

!Leu86
assign (resid 85 and name ha)(resid 86 and name hn) 2.5 0.7 0.4
assign (resid 86 and name ha)(resid 86 and name hn) 3.0 1.2 0.5
assign (resid 71 and name hn)(resid 86 and name hn) 4.0 2.2 1.0  !!long
assign (resid 72 and name ha)(resid 86 and name hn) 3.0 1.2 0.5  !!long

!Arg87
assign (resid 86 and name ha)(resid 87 and name hn) 2.5 0.7 0.4
assign (resid 8 and name hn)(resid 87 and name hn) 4.0 2.2 2.0  !4.0 2.2 1.0   !!!long
assign (resid 86 and name ha)(resid 87 and name hn) 2.5 0.7 0.4

!Leu88
assign (resid 87 and name ha)(resid 88 and name hn) 2.5 0.7 0.4
assign (resid 88 and name ha)(resid 88 and name hn) 3.0 1.2 0.5
assign (resid 70 and name ha)(resid 88 and name hn) 4.0 2.2 1.0  !!long
assign (resid 69 and name hn)(resid 88 and name hn) 4.0 2.2 1.0  !!long
assign (resid 71 and name hn)(resid 88 and name hn) 4.0 2.2 1.0  !!long

!Asn89
assign (resid 12 and name ha)(resid 89 and name hn) 4.0 2.2 1.0  !!3.0 1.2 0.5
assign (resid 88 and name ha)(resid 89 and name hn) 2.5 0.7 0.4
assign (resid 89 and name ha)(resid 89 and name hn) 3.0 1.2 0.5
assign (resid 68 and name ha)(resid 89 and name ha) 3.0 1.2 0.5  !!long
assign (resid 67 and name hn)(resid 90 and name hn) 4.0 2.2 1.0

!Val90

assign (resid 89 and name ha)(resid 90 and name hn) 2.5 0.7 0.4
assign (resid 90 and name ha)(resid 90 and name hn) 3.0 1.2 0.5
assign (resid 68 and name ha)(resid 90 and name hn) 4.0 2.2 1.0  !!long
!!assign (resid 50 and name ha)(resid 90 and name hn) 4.0 2.2 1.0  !!long   

!Val91

assign (resid 90 and name ha)(resid 91 and name hn) 2.5 0.7 0.4
assign (resid 91 and name ha)(resid 91 and name hn) 3.0 1.2 0.5
assign (resid 14 and name ha)(resid 91 and name hn)  4.0 2.2 1.0 !!long
assign (resid 15 and name hn)(resid 91 and name hn)  4.0 2.2 1.0 !!long

!Pro92

!Pro93

!Ser94

assign (resid 93 and name ha)(resid 94 and name hn) 2.5 0.7 0.4
assign (resid 93 and name ha)(resid 94 and name hn) 3.0 1.2 0.5

!Asn95

assign (resid 94 and name ha)(resid 95 and name hn) 2.5 0.7 0.4
assign (resid 94 and name ha)(resid 95 and name hn) 3.0 1.2 0.5


!Lys96

assign (resid 95 and name ha)(resid 96 and name hn) 2.5 0.7 0.4
assign (resid 96 and name ha)(resid 96 and name hn) 3.0 1.2 0.5

!!S~S bonds

assign (resid 7 and name hb#)(resid 84 and name hb#)   3.0 1.2 0.5
assign (resid 23 and name hb#)(resid 73  and name hb#)  3.0 1.2 0.5
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Contact the webmaster for help, if required. Tuesday, May 14, 2024 7:49:12 AM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	26616	2npl	7291	cing	1-original	1	XPLOR/CNS	distance	NOE	simple