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
634966 6c8u 30398 cing 1-original 6 XPLOR/CNS distance NOE ambi


# Restraints file 6: msi2_center.tbl
?! center average distance constraints to force protons over
! aromatic ring currents.  MUST use CENTER averaging for these



!Q35 over W34 ring
assign (resid 35 and name HG1) (resid 34 and (name CD1 or name CH2 or name CZ3)) 2.0 0.0 1.5 
assign (resid 35 and name HG2) (resid 34 and (name CD1 or name CH2 or name CZ3)) 2.0 0.0 1.5 

!V71 over F73 ring
assign (resid 71 and name HG1#) (resid 73 and (name CD2 or name CE1)) 2.5 0.0 1.5

!V82 over F48 ring
assign (resid 82 and name HG2#) (resid 48 and (name CD2 or name CE1)) 2.5 0.0 1.5
assign (resid 82 and name HA) (resid 48 and (name CD2 or name CE1)) 2.5 0.0 1.5

!M57 over F68 ring
assign (resid 57 and name HB1) (resid 68 and (name CD2 or name CE1)) 2.5 0.0 1.5
assign (resid 57 and name HB2) (resid 68 and (name CD2 or name CE1)) 2.5 0.0 1.5








# Restraints file 7: 13Cmaster.tbl
?
!E16
assign (resid   16 and name   HG#) (resid  16 and name  HB#) 2.0 0.5 0.7
assign (resid   16 and name   HG#) (resid  16 and name  HA) 2.0 0.5 1.3

!N17
assign (resid   17 and name   HB#) (resid  17 and name  HD21) 2.0 0.5 0.7
assign (resid   17 and name   HB#) (resid  17 and name  HA) 2.0 0.5 0.7

!Y19
assign (resid   19 and name   HB#) (resid  19 and name  HD#) 2.0 0.5 0.7
assign (resid   19 and name   HB#) (resid  19 and name  HE#) 2.0 0.5 2.0

!F20
assign (resid   20 and name   HB#) (resid  20 and name  HA) 2.0 0.5 0.7
assign (resid   20 and name   HB#) (resid  21 and name  HA) 2.0 0.5 2.5

!A24
assign (resid   24 and name   HA) (resid  25 and name  HN) 2.0 0.5 0.7
assign (resid   24 and name   HA) (resid  25 and name  HA#) 2.0 0.5 3.5
assign (resid   24 and name   HA) (resid  23 and name  HN) 2.0 0.5 3.5
assign (resid   24 and name   HA) (resid  24 and name  HB#) 2.0 0.5 0.7

!G25
assign (resid   25 and name   HA#) (resid  79 and name  HG2#) 2.0 0.5 1.3 

!K26
assign (resid   26 and name   HA) (resid  26 and name  HE#) 2.0 0.5 3.5
assign (resid   26 and name   HA) (resid  26 and name  HG#) 2.0 0.5 1.3
assign (resid   26 and name   HA) (resid  26 and name  HD#) 2.0 0.5 3.5
assign (resid   26 and name   HA) (resid  26 and name  HB#) 2.0 0.5 0.7
assign (resid   26 and name   HA) (resid  26 and name  HN) 2.0 0.5 1.3
assign (resid   26 and name   HA) (resid  72 and name  HA) 2.0 0.5 0.7

assign (resid   26 and name   HB#) (resid  26 and name  HG#) 2.0 0.5 0.7
assign (resid   26 and name   HG#) (resid  26 and name  HD#) 2.0 0.5 0.7
assign (resid   26 and name   HD#) (resid  26 and name  HE#) 2.0 0.5 0.7

!M27
assign (resid   27 and name   HA) (resid  99 and name  HA) 2.0 0.5 0.7
assign (resid   27 and name   HA) (resid  28 and name  HN) 2.0 0.5 0.7
assign (resid   27 and name   HA) (resid  27 and name  HN) 2.0 0.5 1.3
assign (resid   27 and name   HA) (resid  27 and name  HG#) 2.0 0.5 1.3
assign (resid   27 and name   HA) (resid  99 and name  HG2#) 2.0 0.5 2.0
assign (resid   27 and name   HA) (resid  99 and name  HG1#) 2.0 0.5 2.0

assign (resid   27 and name   HE#) (resid  27 and name  HB#) 2.0 0.5 0.7
assign (resid   27 and name   HE#) (resid  29 and name  HD1#) 2.0 0.5 3.5
assign (resid   27 and name   HE#) (resid  82 and name  HG1#) 2.0 0.5 1.3
assign (resid   27 and name   HE#) (resid  83 and name  HD2#) 2.0 0.5 1.3 

!F28
assign (resid   28 and name   HA) (resid  28 and name  HN) 2.0 0.5 1.3
assign (resid   28 and name   HA) (resid  28 and name  HB#) 2.0 0.5 1.3
assign (resid   28 and name   HA) (resid  70 and name  HD#) 2.0 0.5 0.7

assign (resid   28 and name   HD#) (resid  70 and name  HA) 2.0 0.5 2.0
assign (resid   28 and name   HD#) (resid  28 and name  HB#) 2.0 0.5 0.7

assign (resid   28 and name   HE#) (resid  28 and name  HB#) 2.0 0.5 3.5

!I29
assign (resid   29 and name   HD1#) (resid  97 and name  HA) 2.0 0.5 1.3
assign (resid   29 and name   HD1#) (resid  29 and name  HG1#) 2.0 0.5 0.7
assign (resid   29 and name   HD1#) (resid  29 and name  HG2#) 2.0 0.5 0.7
assign (resid   29 and name   HD1#) (resid  29 and name  HA) 2.0 0.5 0.7

assign (resid   29 and name   HG2#) (resid  29 and name  HA) 2.0 0.5 0.7
assign (resid   29 and name   HG2#) (resid  29 and name  HB) 2.0 0.5 0.7

assign (resid   29 and name   HB) (resid  41 and name  HD1#) 2.0 0.5 2.0
assign (resid   29 and name   HB) (resid  29 and name  HG1#) 2.0 0.5 0.7


assign (resid   29 and name   HA) (resid  97 and name  HA) 2.0 0.5 0.7
assign (resid   29 and name   HA) (resid  30 and name  HN) 2.0 0.5 0.7
assign (resid   29 and name   HA) (resid  29 and name  HB) 2.0 0.5 0.7

!G30
assign (resid   30 and name   HA2) (resid  28 and name  HE#) 2.0 0.5 3.5 
assign (resid   30 and name   HA2) (resid  30 and name  HA1) 2.0 0.5 0.7
assign (resid   30 and name   HA2) (resid  68 and name  HB#) 2.0 0.5 1.3 

assign (resid   30 and name   HA1) (resid  68 and name  HB#) 2.0 0.5 2.0 
assign (resid   30 and name   HA1) (resid  28 and name  HE#) 2.0 0.5 3.5

!G31
assign (resid   31 and name   HA1) (resid  31 and name  HA2) 2.0 0.5 0.7
assign (resid   31 and name   HA#) (resid  32 and name  HN) 2.0 0.5 1.3

!L32
assign (resid   32 and name   HA) (resid  33 and name  HA) 2.0 0.5 2.5
assign (resid   32 and name   HA) (resid  32 and name  HB#) 2.0 0.5 1.3
assign (resid   32 and name   HA) (resid  95 and name  HG2#) 2.0 0.5 1.3
assign (resid   32 and name   HA) (resid  32 and name  HD2#) 2.0 0.5 0.7
assign (resid   32 and name   HA) (resid  32 and name  HN) 2.0 0.5 0.7

assign (resid   32 and name   HB#) (resid  32 and name  HG#) 2.0 0.5 0.7

!S33
assign (resid   33 and name   HA) (resid  33 and name  HB1) 2.0 0.5 1.3
assign (resid   33 and name   HA) (resid  33 and name  HB2) 2.0 0.5 1.3

!W34
assign (resid   34 and name   HA) (resid  34 and name  HD1) 2.0 0.5 2.0
assign (resid   34 and name   HA) (resid  34 and name  HB#) 2.0 0.5 0.7


assign (resid   34 and name   HZ2) (resid  34 and name  HH2) 2.0 0.5 0.7

!Q35
assign (resid   35 and name   HA) (resid  35 and name  HB#) 2.0 0.5 0.7

assign (resid   35 and name   HB#) (resid  35 and name  HG#) 2.0 0.5 0.7

!T36
assign (resid   36 and name   HA) (resid  37 and name  HN) 2.0 0.5 0.7
assign (resid   36 and name   HA) (resid  36 and name  HG2#) 2.0 0.5 0.7
assign (resid   36 and name   HA) (resid  36 and name  HB) 2.0 0.5 0.7

!S37
assign (resid   37 and name   HA) (resid  38 and name  HD#) 2.0 0.5 0.7

!P38
assign (resid   38 and name   HA) (resid  56 and name  HG2#) 2.0 0.5 1.3
assign (resid   38 and name   HA) (resid  56 and name  HG1#) 2.0 0.5 3.5
assign (resid   38 and name   HA) (resid  56 and name  HB) 2.0 0.5 2.0
assign (resid   38 and name   HA) (resid  38 and name  HB#) 2.0 0.5 0.7
assign (resid   38 and name   HA) (resid  38 and name  HG#) 2.0 0.5 2.0
assign (resid   38 and name   HA) (resid  38 and name  HD#) 2.0 0.5 2.0
assign (resid   38 and name   HA) (resid  39 and name  HB#) 2.0 0.5 3.5

assign (resid   38 and name   HB#) (resid  38 and name  HG#) 2.0 0.5 0.7
assign (resid   38 and name   HG#) (resid  38 and name  HD#) 2.0 0.5 0.7

!D39
assign (resid   39 and name   HA) (resid  39 and name  HB2) 2.0 0.5 0.7
assign (resid   39 and name   HA) (resid  39 and name  HB1) 2.0 0.5 1.3

!S40
assign (resid   40 and name   HA) (resid  43 and name  HB#) 2.0 0.5 1.3
assign (resid   40 and name   HA) (resid  40 and name  HB#) 2.0 0.5 0.7

!L41
assign (resid   41 and name   HA) (resid  41 and name  HG) 2.0 0.5 1.3
assign (resid   41 and name   HG) (resid  41 and name  HD1#) 2.0 0.5 0.7

!R42
assign (resid   42 and name   HA) (resid  42 and name  HB#) 2.0 0.5 1.3
assign (resid   42 and name   HA) (resid  42 and name  HG#) 2.0 0.5 1.3

assign (resid   42 and name   HB#) (resid  42 and name  HG#) 2.0 0.5 0.7

!D43
assign (resid   43 and name   HA) (resid  43 and name  HB#) 2.0 0.5 1.3

!Y44
assign (resid   44 and name   HA) (resid  44 and name  HD#) 2.0 0.5 0.7
assign (resid   44 and name   HD#) (resid  44 and name  HE#) 2.0 0.5 0.7
assign (resid   44 and name   HD#) (resid  44 and name  HN) 2.0 0.5 3.5
assign (resid   44 and name   HD#) (resid  44 and name  HB1) 2.0 0.5 1.3
assign (resid   44 and name   HD#) (resid  44 and name  HB2) 2.0 0.5 0.7
assign (resid   44 and name   HD#) (resid  90 and name  HD1#) 2.0 0.5 2.0
assign (resid   44 and name   HE#) (resid  95 and name  HD1#) 2.0 0.5 3.5


!F45
assign (resid   45 and name   HA) (resid  45 and name  HB1) 2.0 0.5 0.7
assign (resid   45 and name   HA) (resid  45 and name  HB2) 2.0 0.5 0.7
assign (resid   45 and name   HD#) (resid  45 and name  HE#) 2.0 0.5 0.7
assign (resid   45 and name   HD#) (resid  45 and name  HN) 2.0 0.5 2.0
assign (resid   45 and name   HD#) (resid  45 and name  HZ) 2.0 0.5 2.0
assign (resid   45 and name   HD#) (resid  45 and name  HB#) 2.0 0.5 1.3
assign (resid   45 and name   HD#) (resid  45 and name  HA) 2.0 0.5 3.5
assign (resid   45 and name   HE#) (resid  45 and name  HZ) 2.0 0.5 0.7



!S46
assign (resid   46 and name   HA) (resid  45 and name  HN) 2.0 0.5 3.5
assign (resid   46 and name   HA) (resid  46 and name  HN) 2.0 0.5 0.7
assign (resid   46 and name   HA) (resid  49 and name  HN) 2.0 0.5 1.3
assign (resid   46 and name   HA) (resid  47 and name  HN) 2.0 0.5 1.3
assign (resid   46 and name   HA) (resid  46 and name  HB#) 2.0 0.5 0.7
assign (resid   46 and name   HA) (resid  51 and name  HD1#) 2.0 0.5 1.3
assign (resid   46 and name   HA) (resid  51 and name  HG1#) 2.0 0.5 2.0
assign (resid   46 and name   HA) (resid  48 and name  HN) 2.0 0.5 2.0


!K47
assign (resid   47 and name   HA) (resid  47 and name  HB#) 2.0 0.5 0.7
assign (resid   47 and name   HB#) (resid  47 and name  HG#) 2.0 0.5 0.7
assign (resid   47 and name   HD#) (resid  47 and name  HE#) 2.0 0.5 0.7

!F48
assign (resid   48 and name   HA) (resid  48 and name  HD#) 2.0 0.5 1.3 
assign (resid   48 and name   HA) (resid  48 and name  HE#) 2.0 0.5 3.5
assign (resid   48 and name   HD#) (resid  48 and name  HE#) 2.0 0.5 0.7
assign (resid   48 and name   HE#) (resid  48 and name  HZ) 2.0 0.5 0.7
assign (resid   48 and name   HB#) (resid  48 and name  HD#) 2.0 0.5 1.3
assign (resid   48 and name   HD#) (resid  82 and name  HG2#) 2.0 0.5 2.0
assign (resid   48 and name   HA) (resid  48 and name  HB1) 2.0 0.5 0.7
assign (resid   48 and name   HA) (resid  48 and name  HB2) 2.0 0.5 0.7

!G49
assign (resid   49 and name   HA1) (resid  49 and name  HA2) 2.0 0.5 0.7
assign (resid   49 and name   HA#) (resid  73 and name  HD#) 2.0 0.5 1.3
assign (resid   49 and name   HA#) (resid  50 and name  HB#) 2.0 0.5 3.5
assign (resid   49 and name   HA#) (resid  73 and name  HB#) 2.0 0.5 3.5

!E50
assign (resid   50 and name   HA) (resid  50 and name  HB#) 2.0 0.5 1.3
assign (resid   50 and name   HB#) (resid  50 and name  HG#) 2.0 0.5 0.7

!I51
assign (resid   51 and name   HD1#) (resid  73 and name  HA) 2.0 0.5 3.5
assign (resid   51 and name   HD1#) (resid  42 and name  HA) 2.0 0.5 0.7
assign (resid   51 and name   HD1#) (resid  42 and name  HD#) 2.0 0.5 3.5
assign (resid   51 and name   HD1#) (resid  42 and name  HG#) 2.0 0.5 1.3
assign (resid   51 and name   HD1#) (resid  51 and name  HB) 2.0 0.5 0.7
assign (resid   51 and name   HD1#) (resid  51 and name  HG11) 2.0 0.5 0.7
assign (resid   51 and name   HD1#) (resid  51 and name  HG12) 2.0 0.5 0.7
assign (resid   51 and name   HD1#) (resid  71 and name  HA) 2.0 0.5 3.5

assign (resid   51 and name   HA) (resid  51 and name  HB) 2.0 0.5 0.7
assign (resid   51 and name   HB) (resid  51 and name  HG11) 2.0 0.5 0.7
assign (resid   51 and name   HB) (resid  51 and name  HG12) 2.0 0.5 0.7
assign (resid   51 and name   HG1#) (resid  51 and name  HG2#) 2.0 0.5 0.7
assign (resid   51 and name   HG1#) (resid  51 and name  HD1#) 2.0 0.5 0.7

!R52
assign (resid   52 and name   HA) (resid  52 and name  HB#) 2.0 0.5 0.7
assign (resid   52 and name   HB#) (resid  52 and name  HG#) 2.0 0.5 0.7
assign (resid   52 and name   HG#) (resid  52 and name  HD#) 2.0 0.5 0.7

!E53
assign (resid   53 and name   HA) (resid  54 and name  HN) 2.0 0.5 0.7
assign (resid   53 and name   HA) (resid  53 and name  HB#) 2.0 0.5 1.3

!C54
assign (resid   54 and name   HB#) (resid  54 and name  HA) 2.0 0.5 0.7
assign (resid   54 and name   HB#) (resid  71 and name  HB) 2.0 0.5 3.5
assign (resid   54 and name   HB#) (resid  71 and name  HA) 2.0 0.5 1.3

assign (resid   54 and name   HA) (resid  54 and name  HN) 2.0 0.5 0.7
assign (resid   54 and name   HA) (resid  72 and name  HN) 2.0 0.5 1.3

!M55
assign (resid   55 and name   HA) (resid  55 and name  HB1) 2.0 0.5 0.7
assign (resid   55 and name   HA) (resid  55 and name  HB2) 2.0 0.5 0.7
assign (resid   55 and name   HB#) (resid  55 and name  HG#) 2.0 0.5 0.7
assign (resid   55 and name   HE#) (resid  55 and name  HG#) 2.0 0.5 1.3
assign (resid   55 and name   HE#) (resid  70 and name  HN) 2.0 0.5 3.5
assign (resid   55 and name   HE#) (resid  70 and name  HD#) 2.0 0.5 2.0


!V56
assign (resid   56 and name   HA) (resid  56 and name  HB) 2.0 0.5 0.7
assign (resid   56 and name   HA) (resid  56 and name  HG2#) 2.0 0.5 1.3
assign (resid   56 and name   HA) (resid  56 and name  HG1#) 2.0 0.5 0.7
assign (resid   56 and name   HB) (resid  56 and name  HG1#) 2.0 0.5 0.7
assign (resid   56 and name   HB) (resid  56 and name  HG2#) 2.0 0.5 0.7

!M57
assign (resid   57 and name   HE#) (resid  57 and name  HG#) 2.0 0.5 0.7
assign (resid   57 and name   HA) (resid  57 and name  HB#) 2.0 0.5 0.7
assign (resid   57 and name   HB#) (resid  57 and name  HG#) 2.0 0.5 0.7

!R58
assign (resid   58 and name   HA) (resid  58 and name  HB#) 2.0 0.5 0.7
assign (resid   58 and name   HB#) (resid  58 and name  HG#) 2.0 0.5 0.7
assign (resid   58 and name   HG#) (resid  58 and name  HD#) 2.0 0.5 0.7
assign (resid   58 and name   HA) (resid  58 and name  HD#) 2.0 0.5 2.0
assign (resid   58 and name   HA) (resid  58 and name  HG#) 2.0 0.5 0.7


!D59
assign (resid   59 and name   HA) (resid  59 and name  HB2) 2.0 0.5 0.7
assign (resid   59 and name   HA) (resid  59 and name  HB1) 2.0 0.5 0.7
assign (resid   59 and name   HA) (resid  60 and name  HD#) 2.0 0.5 0.7

!P60
assign (resid   60 and name   HA) (resid  60 and name  HB#) 2.0 0.5 0.7
assign (resid   60 and name   HB#) (resid 60 and name  HG#) 2.0 0.5 0.7
assign (resid   60 and name   HG#) (resid 60 and name  HD#) 2.0 0.5 0.7

!T61
assign (resid   61 and name   HA) (resid  61 and name  HB) 2.0 0.5 0.7
assign (resid   61 and name   HA) (resid  61 and name  HG2#) 2.0 0.5 0.7
assign (resid   61 and name   HB) (resid  61 and name  HG2#) 2.0 0.5 0.7

!T62
assign (resid   62 and name   HA) (resid  62 and name  HB) 2.0 0.5 0.7
assign (resid   62 and name   HA) (resid  62 and name  HG2#) 2.0 0.5 0.7
assign (resid   62 and name   HB) (resid  62 and name  HG2#) 2.0 0.5 0.7

!K63
assign (resid   63 and name   HA) (resid  63 and name  HB#) 2.0 0.5 0.7
assign (resid   63 and name   HB#) (resid  63 and name  HG#) 2.0 0.5 0.7
assign (resid   63 and name   HD#) (resid  63 and name  HE#) 2.0 0.5 0.7

!R64
assign (resid   64 and name   HA) (resid  64 and name  HB#) 2.0 0.5 0.7
assign (resid   64 and name   HB#) (resid  64 and name  HG#) 2.0 0.5 0.7
assign (resid   64 and name   HG#) (resid  64 and name  HD#) 2.0 0.5 0.7

!S65
assign (resid   65 and name   HA) (resid  65 and name  HB#) 2.0 0.5 1.3

!R66

assign (resid   66 and name   HA) (resid  66 and name  HB#) 2.0 0.5 0.7
assign (resid   66 and name   HB#) (resid  66 and name  HG#) 2.0 0.5 0.7
assign (resid   66 and name   HG#) (resid  66 and name  HD#) 2.0 0.5 0.7

!G67

!F68
assign (resid   68 and name   HA) (resid  32 and name  HD1#) 2.0 0.5 1.3
assign (resid   68 and name   HA) (resid  32 and name  HG) 2.0 0.5 0.7
assign (resid   68 and name   HA) (resid  32 and name  HB#) 2.0 0.5 2.0
assign (resid   68 and name   HA) (resid  30 and name  HA#) 2.0 0.5 1.3
assign (resid   68 and name   HA) (resid  68 and name  HD#) 2.0 0.5 1.3
assign (resid   68 and name   HA) (resid  68 and name  HB#) 2.0 0.5 1.3

assign (resid   68 and name   HD#) (resid  68 and name  HE#) 2.0 0.5 0.7
assign (resid   68 and name   HE#) (resid  68 and name  HZ) 2.0 0.5 0.7


!G69
assign (resid   69 and name   HA1) (resid  32 and name  HD2#) 2.0 0.5 3.5 
assign (resid   69 and name   HA1) (resid  32 and name  HD1#) 2.0 0.5 1.3
assign (resid   69 and name   HA1) (resid  41 and name  HD1#) 2.0 0.5 3.5
assign (resid   69 and name   HA1) (resid  68 and name  HD#) 2.0 0.5 2.5
assign (resid   69 and name   HA1) (resid  70 and name  HD#) 2.0 0.5 2.0
assign (resid   69 and name   HA1) (resid  56 and name  HG2#) 2.0 0.5 1.3
assign (resid   69 and name   HA1) (resid  56 and name  HG1#) 2.0 0.5 2.0

assign (resid   69 and name   HA2) (resid  69 and name  HA1) 2.0 0.5 0.7
assign (resid   69 and name   HA2) (resid  56 and name  HG2#) 2.0 0.5 2.0
assign (resid   69 and name   HA2) (resid  56 and name  HG1#) 2.0 0.5 2.0
assign (resid   69 and name   HA2) (resid  70 and name  HD#) 2.0 0.5 1.3

!F70
assign (resid   70 and name   HA) (resid  29 and name  HG12) 2.0 0.5 3.5
assign (resid   70 and name   HA) (resid  29 and name  HG11) 2.0 0.5 3.5
assign (resid   70 and name   HA) (resid  71 and name  HA) 2.0 0.5 2.5
assign (resid   70 and name   HA) (resid  70 and name  HB2) 2.0 0.5 0.7
assign (resid   70 and name   HA) (resid  70 and name  HB1) 2.0 0.5 1.3
assign (resid   70 and name   HA) (resid  70 and name  HD#) 2.0 0.5 1.3
assign (resid   70 and name   HA) (resid  28 and name  HA) 2.0 0.5 0.7
assign (resid   70 and name   HA) (resid  69 and name  HA1) 2.0 0.5 2.5
assign (resid   70 and name   HA) (resid  69 and name  HA2) 2.0 0.5 2.5
assign (resid   70 and name   HA) (resid  29 and name  HD1#) 2.0 0.5 3.5
assign (resid   70 and name   HA) (resid  29 and name  HB) 2.0 0.5 3.5

assign (resid   70 and name   HD#) (resid  70 and name  HE#) 2.0 0.5 0.7
assign (resid   70 and name   HD#) (resid  70 and name  HN) 2.0 0.5 0.7
assign (resid   70 and name   HD#) (resid  70 and name  HB1) 2.0 0.5 0.7
assign (resid   70 and name   HD#) (resid  70 and name  HB2) 2.0 0.5 0.7
assign (resid   70 and name   HD#) (resid  71 and name  HN) 2.0 0.5 2.0

assign (resid   70 and name   HD#) (resid  68 and name  HD#) 2.0 0.5 2.0 

!V71
assign (resid   71 and name   HA) (resid  54 and name  HA) 2.0 0.5 0.7
assign (resid   71 and name   HA) (resid  71 and name  HB) 2.0 0.5 1.3
assign (resid   71 and name   HA) (resid  71 and name  HG1#) 2.0 0.5 0.7
assign (resid   71 and name   HA) (resid  72 and name  HG1#) 2.0 0.5 0.7
assign (resid   71 and name   HA) (resid  41 and name  HD1#) 2.0 0.5 3.5

assign (resid   71 and name   HG1#) (resid  42 and name  HN) 2.0 0.5 3.5
assign (resid   71 and name   HG1#) (resid  71 and name  HA) 2.0 0.5 1.3
assign (resid   71 and name   HG1#) (resid  71 and name  HB) 2.0 0.5 1.3
assign (resid   71 and name   HG1#) (resid  71 and name  HG2#) 2.0 0.5 0.7
assign (resid   71 and name   HG1#) (resid  51 and name  HG2#) 2.0 0.5 0.7
assign (resid   71 and name   HG1#) (resid  51 and name  HD1#) 2.0 0.5 0.7

assign (resid   71 and name   HG1#) (resid  51 and name  HG11) 2.0 0.5 1.3 
assign (resid   71 and name   HG1#) (resid  51 and name  HB) 2.0 0.5 3.5 
assign (resid   71 and name   HG1#) (resid  51 and name  HA) 2.0 0.5 2.0 
assign (resid   71 and name   HG1#) (resid  73 and name  HD#) 2.0 0.5 2.0 
assign (resid   71 and name   HG1#) (resid  45 and name  HB1) 2.0 0.5 1.3
assign (resid   71 and name   HG1#) (resid  45 and name  HB2) 2.0 0.5 1.3
assign (resid   71 and name   HG1#) (resid  54 and name  HB#) 2.0 0.5 1.3
assign (resid   71 and name   HG1#) (resid  54 and name  HA) 2.0 0.5 3.5
assign (resid   71 and name   HG1#) (resid  70 and name  HA) 2.0 0.5 3.5
assign (resid   71 and name   HG1#) (resid  73 and name  HE#) 2.0 0.5 3.5

assign (resid   71 and name   HG2#) (resid  41 and name  HB#) 2.0 0.5 1.3
assign (resid   71 and name   HG2#) (resid  41 and name  HD1#) 2.0 0.5 0.7
assign (resid   71 and name   HG2#) (resid  41 and name  HA) 2.0 0.5 3.5
assign (resid   71 and name   HG2#) (resid  45 and name  HD#) 2.0 0.5 1.3
assign (resid   71 and name   HG1#) (resid  45 and name  HB1) 2.0 0.5 2.0
assign (resid   71 and name   HG2#) (resid  45 and name  HB2) 2.0 0.5 2.0
assign (resid   71 and name   HG2#) (resid  45 and name  HA) 2.0 0.5 3.5
assign (resid   71 and name   HG2#) (resid  54 and name  HA) 2.0 0.5 3.5
assign (resid   71 and name   HG2#) (resid  54 and name  HB#) 2.0 0.5 1.3
assign (resid   71 and name   HG2#) (resid  71 and name  HB) 2.0 0.5 1.3
assign (resid   71 and name   HG2#) (resid  71 and name  HA) 2.0 0.5 0.7 
assign (resid   71 and name   HG2#) (resid  29 and name  HD1#) 2.0 0.5 2.0

!T72
assign (resid   72 and name   HA) (resid  72 and name  HB) 2.0 0.5 0.7
assign (resid   72 and name   HB) (resid  72 and name  HG2#) 2.0 0.5 0.7

!F73
assign (resid   73 and name   HA) (resid  73 and name  HD#) 2.0 0.5 1.3
assign (resid   73 and name   HA) (resid  74 and name  HN) 2.0 0.5 0.7
assign (resid   73 and name   HA) (resid  51 and name  HG2#) 2.0 0.5 1.3
assign (resid   73 and name   HA) (resid  73 and name  HB#) 2.0 0.5 1.3
assign (resid   73 and name   HA) (resid  51 and name  HA) 2.0 0.5 0.7

assign (resid   73 and name   HD#) (resid  73 and name  HE#) 2.0 0.5 0.7


!A74
assign (resid   74 and name   HA) (resid  52 and name  HN) 2.0 0.5 3.5
assign (resid   74 and name   HA) (resid  74 and name  HB#) 2.0 0.5 0.7

!D75
assign (resid   75 and name   HA) (resid  73 and name  HB#) 2.0 0.5 3.5
assign (resid   75 and name   HA) (resid  76 and name  HD#) 2.0 0.5 0.7
assign (resid   75 and name   HA) (resid  76 and name  HG#) 2.0 0.5 2.5
assign (resid   75 and name   HA) (resid  75 and name  HB#) 2.0 0.5 1.3

!P76
assign (resid   76 and name   HA) (resid  76 and name  HB1) 2.0 0.5 0.7
assign (resid   76 and name   HA) (resid  76 and name  HB2) 2.0 0.5 0.7
assign (resid   76 and name   HB1) (resid  76 and name  HG#) 2.0 0.5 0.7
assign (resid   76 and name   HB2) (resid  76 and name  HG#) 2.0 0.5 0.7
assign (resid   76 and name   HB2) (resid  76 and name  HD#) 2.0 0.5 2.0

!A77
assign (resid   77 and name   HB#) (resid  80 and name  HB#) 2.0 0.5 3.5
assign (resid   77 and name   HB#) (resid  77 and name  HA) 2.0 0.5 0.7
assign (resid   77 and name   HB#) (resid  81 and name  HE#) 2.0 0.5 2.0

assign (resid   77 and name   HA) (resid  80 and name  HB#) 2.0 0.5 1.3

!S78
assign (resid   78 and name   HA) (resid  78 and name  HB1) 2.0 0.5 1.3
assign (resid   78 and name   HA) (resid  78 and name  HB2) 2.0 0.5 0.7

!V79
assign (resid   79 and name   HA) (resid  82 and name  HG2#) 2.0 0.5 2.0
assign (resid   79 and name   HA) (resid  82 and name  HG1#) 2.0 0.5 3.5
assign (resid   79 and name   HA) (resid  79 and name  HG1#) 2.0 0.5 0.7
assign (resid   79 and name   HA) (resid  79 and name  HG2#) 2.0 0.5 0.7
assign (resid   79 and name   HA) (resid  99 and name  HG2#) 2.0 0.5 2.0
assign (resid   79 and name   HA) (resid  82 and name  HB) 2.0 0.5 1.3

assign (resid   79 and name   HB) (resid  79 and name  HG1#) 2.0 0.5 0.7
assign (resid   79 and name   HB) (resid  79 and name  HG2#) 2.0 0.5 0.7

!D80
assign (resid   80 and name   HA) (resid  80 and name  HB#) 2.0 0.5 1.3

!K81
assign (resid   81 and name   HA) (resid  81 and name  HB#) 2.0 0.5 0.7
assign (resid   81 and name   HB#) (resid  81 and name  HG#) 2.0 0.5 0.7
assign (resid   81 and name   HG#) (resid  81 and name  HD#) 2.0 0.5 0.7
assign (resid   81 and name   HD#) (resid  81 and name  HE#) 2.0 0.5 0.7

!V82
assign (resid   82 and name   HG1#) (resid  82 and name  HB) 2.0 0.5 0.7
assign (resid   82 and name   HG1#) (resid  82 and name  HA) 2.0 0.5 0.7

assign (resid   82 and name   HG2#) (resid  82 and name  HA) 2.0 0.5 0.7
assign (resid   82 and name   HG2#) (resid  82 and name  HB) 2.0 0.5 0.7

assign (resid   82 and name   HA) (resid  85 and name  HN) 2.0 0.5 1.3

!L83
assign (resid   83 and name   HA) (resid  83 and name  HB#) 2.0 0.5 0.7
assign (resid   83 and name   HB#) (resid  83 and name  HG#) 2.0 0.5 0.7
assign (resid   83 and name   HG#) (resid  83 and name  HD1#) 2.0 0.5 0.7
assign (resid   83 and name   HG#) (resid  83 and name  HD2#) 2.0 0.5 0.7

!G84
assign (resid   84 and name   HA1) (resid  84 and name  HA2) 2.0 0.5 0.7

!Q85
assign (resid   85 and name   HA) (resid  85 and name  HG#) 2.0 0.5 0.7
assign (resid   85 and name   HA) (resid  85 and name  HB#) 2.0 0.5 0.7
assign (resid   85 and name   HA) (resid  86 and name  HD#) 2.0 0.5 0.7

!P86
assign (resid   86 and name   HA) (resid  86 and name  HB#) 2.0 0.5 0.7
assign (resid   86 and name   HB#) (resid  86 and name  HG#) 2.0 0.5 0.7
assign (resid   86 and name   HG#) (resid  86 and name  HD#) 2.0 0.5 0.7

!H87
assign (resid   87 and name   HA) (resid  87 and name  HB#) 2.0 0.5 0.7

!H88
assign (resid   88 and name   HA) (resid  88 and name  HB1) 2.0 0.5 1.3
assign (resid   88 and name   HA) (resid  88 and name  HB2) 2.0 0.5 0.7

!E89
assign (resid   89 and name   HA) (resid  89 and name  HG#) 2.0 0.5 0.7
assign (resid   89 and name   HA) (resid  89 and name  HB#) 2.0 0.5 0.7
assign (resid   89 and name   HA) (resid  89 and name  HN) 2.0 0.5 0.7
assign (resid   89 and name   HA) (resid  93 and name  HN) 2.0 0.5 3.5
assign (resid   89 and name   HA) (resid  94 and name  HA) 2.0 0.5 0.7

assign (resid   89 and name   HB#) (resid  89 and name  HN) 2.0 0.5 1.3

!L90
assign (resid   90 and name   HA) (resid  90 and name  HD1#) 2.0 0.5 0.7
assign (resid   90 and name   HA) (resid  90 and name  HG) 2.0 0.5 1.3

assign (resid   90 and name   HD2#) (resid  90 and name  HD1#) 2.0 0.5 0.7
assign (resid   90 and name   HD2#) (resid  36 and name  HG2#) 2.0 0.5 1.3

assign (resid   90 and name   HD1#) (resid  44 and name  HB#) 2.0 0.5 2.0

!D91
assign (resid   91 and name   HA) (resid  91 and name  HB#) 2.0 0.5 1.3

!S92
assign (resid   92 and name   HA) (resid  92 and name  HB#) 2.0 0.5 1.3

!K93

assign (resid   93 and name   HA) (resid  93 and name  HB#) 2.0 0.5 0.7
assign (resid   93 and name   HB#) (resid  93 and name  HG#) 2.0 0.5 0.7
assign (resid   93 and name   HG#) (resid  93 and name  HD#) 2.0 0.5 0.7
assign (resid   93 and name   HD#) (resid  93 and name  HE#) 2.0 0.5 0.7

!T94
assign (resid   94 and name   HA) (resid  94 and name  HG2#) 2.0 0.5 0.7
assign (resid   94 and name   HA) (resid  89 and name  HB#) 2.0 0.5 3.5
assign (resid   94 and name   HA) (resid  95 and name  HA) 2.0 0.5 2.5

!I95
assign (resid   95 and name   HD1#) (resid  32 and name  HA) 2.0 0.5 0.7
assign (resid   95 and name   HD1#) (resid  90 and name  HD2#) 2.0 0.5 2.0
assign (resid   95 and name   HD1#) (resid  90 and name  HG) 2.0 0.5 3.5
assign (resid   95 and name   HD1#) (resid  95 and name  HG2#) 2.0 0.5 2.0


assign (resid   95 and name   HA) (resid  95 and name  HB) 2.0 0.5 0.7
assign (resid   95 and name   HB) (resid  95 and name  HG11) 2.0 0.5 0.7
assign (resid   95 and name   HB) (resid  95 and name  HG12) 2.0 0.5 0.7
assign (resid   95 and name   HB) (resid  95 and name  HG2#) 2.0 0.5 0.7



!D96
assign (resid   96 and name   HA) (resid  97 and name  HD#) 2.0 0.5 0.7
assign (resid   96 and name   HA) (resid  97 and name  HB#) 2.0 0.5 3.5
assign (resid   96 and name   HA) (resid  96 and name  HB#) 2.0 0.5 1.3

!P97
assign (resid   97 and name   HA) (resid  30 and name  HN) 2.0 0.5 1.3
assign (resid   97 and name   HA) (resid  98 and name  HB#) 2.0 0.5 3.5

assign (resid   97 and name   HA) (resid  97 and name  HB#) 2.0 0.5 0.7
assign (resid   97 and name   HB#) (resid  97 and name  HG#) 2.0 0.5 0.7
assign (resid   97 and name   HG#) (resid  97 and name  HD#) 2.0 0.5 0.7

!K98

assign (resid   98 and name   HA) (resid  98 and name  HB#) 2.0 0.5 0.7
assign (resid   98 and name   HB#) (resid  98 and name  HG#) 2.0 0.5 0.7
assign (resid   98 and name   HG#) (resid  98 and name  HD#) 2.0 0.5 0.7
assign (resid   98 and name   HD#) (resid  98 and name  HE#) 2.0 0.5 0.7

!V99

assign (resid   99 and name   HA) (resid  99 and name  HB#) 2.0 0.5 0.7
assign (resid   99 and name   HA) (resid  99 and name  HG1#) 2.0 0.5 1.3
assign (resid   99 and name   HA) (resid  99 and name  HG2#) 2.0 0.5 1.3
assign (resid   99 and name   HB) (resid  99 and name  HG1#) 2.0 0.5 0.7
assign (resid   99 and name   HB) (resid  99 and name  HG2#) 2.0 0.5 0.7

!A100
assign (resid   100 and name   HA) (resid  100 and name  HB#) 2.0 0.5 0.7

!F101
assign (resid   101 and name   HA) (resid  101 and name  HB#) 2.0 0.5 1.3
assign (resid   101 and name   HD#) (resid  101 and name  HE#) 2.0 0.5 0.7
assign (resid   101 and name   HA) (resid  102 and name  HD#) 2.0 0.5 0.7

!P102
assign (resid   102 and name   HA) (resid  102 and name  HB#) 2.0 0.5 0.7
assign (resid   102 and name   HB#) (resid 102 and name  HG#) 2.0 0.5 0.7
assign (resid   102 and name   HG#) (resid 102 and name  HD#) 2.0 0.5 0.7

!R103
assign (resid   103 and name   HA) (resid  103 and name  HD#) 2.0 0.5 3.5
assign (resid   103 and name   HA) (resid  103 and name  HB#) 2.0 0.5 0.7
assign (resid   103 and name   HA) (resid  103 and name  HG#) 2.0 0.5 1.3

!A105
assign (resid   105 and name   HA) (resid  105 and name  HB#) 2.0 0.5 0.7

!Q106
assign (resid   106 and name   HA) (resid  107 and name  HD#) 2.0 0.5 0.7
assign (resid   106 and name   HA) (resid  106 and name  HB#) 2.0 0.5 0.7
assign (resid   106 and name   HA) (resid  106 and name  HG#) 2.0 0.5 1.3

!M109
assign (resid   109 and name   HE#) (resid  109 and name  HA) 2.0 0.5 3.5

!T111
assign (resid   111 and name   HB) (resid  111 and name  HG2#) 2.0 0.5 0.7













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