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
21949 2il8 280 cing 1-original 1 XPLOR/CNS distance NOE simple



!A INTRAMONOMER NOES



!A.1.1 short range interresidue (|i - j| <= 5) NOEs: intramonomer A

!CaH(i)-NH(i+1) (includes Noes to CdH and CaH of Pro)
assign (segid A and resid    4 and  name HA   )(segid A and resid    5 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid    5 and  name HA   )(segid A and resid    6 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid    6 and  name HA   )(segid A and resid    7 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid    7 and  name HA   )(segid A and resid    8 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid    8 and  name HA   )(segid A and resid    9 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid    9 and  name HA   )(segid A and resid   10 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   10 and  name HA   )(segid A and resid   11 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   11 and  name HA   )(segid A and resid   12 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   12 and  name HA   )(segid A and resid   13 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   13 and  name HA   )(segid A and resid   14 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   14 and  name HA   )(segid A and resid   15 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   15 and  name HA   )(segid A and resid   16 and  name HD1  ) 2.5 0.7 1.2 
assign (segid A and resid   15 and  name HA   )(segid A and resid   16 and  name HD2  ) 2.5 0.7 0.2
assign (segid A and resid   16 and  name HA   )(segid A and resid   17 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   17 and  name HA   )(segid A and resid   18 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   18 and  name HA   )(segid A and resid   19 and  name HD1  ) 2.5 0.7 1.2 
assign (segid A and resid   18 and  name HA   )(segid A and resid   19 and  name HD2  ) 2.5 0.7 0.2
assign (segid A and resid   19 and  name HA   )(segid A and resid   20 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   20 and  name HA   )(segid A and resid   21 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   21 and  name HA   )(segid A and resid   22 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   22 and  name HA   )(segid A and resid   23 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   23 and  name HA   )(segid A and resid   24 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   24 and  name HA   )(segid A and resid   25 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   25 and  name HA   )(segid A and resid   26 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   26 and  name HA   )(segid A and resid   27 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   27 and  name HA   )(segid A and resid   28 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   28 and  name HA   )(segid A and resid   29 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   29 and  name HA   )(segid A and resid   30 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   30 and  name HA   )(segid A and resid   31 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   31 and  name HA2  )(segid A and resid   32 and  name HD1  ) 4.0 1.7 1.0
assign (segid A and resid   31 and  name HA1  )(segid A and resid   32 and  name HD2  ) 3.0 1.2 0.5 
assign (segid A and resid   31 and  name HA2  )(segid A and resid   32 and  name HD2  ) 3.0 1.2 0.5 
assign (segid A and resid   31 and  name HA1  )(segid A and resid   32 and  name HD1  ) 3.0 1.2 0.5
assign (segid A and resid   33 and  name HA   )(segid A and resid   34 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   34 and  name HA   )(segid A and resid   35 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   35 and  name HA   )(segid A and resid   36 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   36 and  name HA   )(segid A and resid   37 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   37 and  name HA   )(segid A and resid   38 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   38 and  name HA   )(segid A and resid   39 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   39 and  name HA   )(segid A and resid   40 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   40 and  name HA   )(segid A and resid   41 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   41 and  name HA   )(segid A and resid   42 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   42 and  name HA   )(segid A and resid   43 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   43 and  name HA   )(segid A and resid   44 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   44 and  name HA   )(segid A and resid   45 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   45 and  name HA   )(segid A and resid   46 and  name HN   ) 4.0 1.0 1.0
assign (segid A and resid   46 and  name HA1  )(segid A and resid   47 and  name HN   ) 4.0 1.7 1.0 
assign (segid A and resid   46 and  name HA2  )(segid A and resid   47 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   47 and  name HA   )(segid A and resid   48 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   48 and  name HA   )(segid A and resid   49 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   50 and  name HA   )(segid A and resid   51 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   51 and  name HA   )(segid A and resid   52 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   52 and  name HA   )(segid A and resid   53 and  name HD1  ) 2.5 0.7 0.2
assign (segid A and resid   52 and  name HA   )(segid A and resid   53 and  name HD1  ) 2.5 0.7 0.2
assign (segid A and resid   53 and  name HD1  )(segid A and resid   54 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   53 and  name HD2  )(segid A and resid   54 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   54 and  name HA   )(segid A and resid   55 and  name HN   ) 4.0 1.2 1.0
assign (segid A and resid   55 and  name HA   )(segid A and resid   56 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   56 and  name HA   )(segid A and resid   57 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   57 and  name HA   )(segid A and resid   58 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   58 and  name HA   )(segid A and resid   59 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   59 and  name HA   )(segid A and resid   60 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   60 and  name HA   )(segid A and resid   61 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   61 and  name HA   )(segid A and resid   62 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   62 and  name HA   )(segid A and resid   63 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   64 and  name HA   )(segid A and resid   65 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   65 and  name HA   )(segid A and resid   66 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   66 and  name HA   )(segid A and resid   67 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   67 and  name HA   )(segid A and resid   68 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   68 and  name HA   )(segid A and resid   69 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   69 and  name HA   )(segid A and resid   70 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   70 and  name HA   )(segid A and resid   71 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   71 and  name HA   )(segid A and resid   72 and  name HN   ) 3.0 1.2 0.5

!NH(i)-NH(i+1) NOEs (includes NOEs to Pro CdH)
assign (segid A and resid    8 and  name HN   )(segid A and resid    9 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   10 and  name HN   )(segid A and resid   11 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   11 and  name HN   )(segid A and resid   12 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   12 and  name HN   )(segid A and resid   13 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   14 and  name HN   )(segid A and resid   15 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   15 and  name HN   )(segid A and resid   16 and  name HD#  ) 4.0 1.7 3.0 
assign (segid A and resid   18 and  name HN   )(segid A and resid   19 and  name HD#  ) 4.0 1.7 3.0 
assign (segid A and resid   20 and  name HN   )(segid A and resid   21 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   23 and  name HN   )(segid A and resid   24 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   24 and  name HN   )(segid A and resid   25 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   28 and  name HN   )(segid A and resid   29 and  name HN   ) 4.0 1.2 1.0
assign (segid A and resid   29 and  name HN   )(segid A and resid   30 and  name HN   ) 4.0 1.2 1.0
assign (segid A and resid   30 and  name HN   )(segid A and resid   31 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   31 and  name HN   )(segid A and resid   32 and  name HD#  ) 4.0 1.2 2.0 
assign (segid A and resid   32 and  name HD#  )(segid A and resid   33 and  name HN   ) 4.0 1.2 2.0 
assign (segid A and resid   33 and  name HN   )(segid A and resid   34 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   35 and  name HN   )(segid A and resid   36 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   36 and  name HN   )(segid A and resid   37 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   42 and  name HN   )(segid A and resid   43 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   43 and  name HN   )(segid A and resid   44 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   44 and  name HN   )(segid A and resid   45 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   45 and  name HN   )(segid A and resid   46 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   46 and  name HN   )(segid A and resid   47 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   48 and  name HN   )(segid A and resid   49 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   49 and  name HN   )(segid A and resid   50 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   50 and  name HN   )(segid A and resid   51 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   54 and  name HN   )(segid A and resid   55 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   55 and  name HN   )(segid A and resid   56 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   56 and  name HN   )(segid A and resid   57 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   57 and  name HN   )(segid A and resid   58 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   58 and  name HN   )(segid A and resid   59 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   59 and  name HN   )(segid A and resid   60 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   60 and  name HN   )(segid A and resid   61 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   61 and  name HN   )(segid A and resid   62 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   62 and  name HN   )(segid A and resid   63 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   63 and  name HN   )(segid A and resid   64 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   64 and  name HN   )(segid A and resid   65 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   65 and  name HN   )(segid A and resid   66 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   66 and  name HN   )(segid A and resid   67 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   67 and  name HN   )(segid A and resid   68 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   68 and  name HN   )(segid A and resid   69 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   69 and  name HN   )(segid A and resid   70 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   70 and  name HN   )(segid A and resid   71 and  name HN   ) 2.5 0.7 0.2
assign (segid A and resid   71 and  name HN   )(segid A and resid   72 and  name HN   ) 2.5 0.7 0.2
!CbH(i)-NH(i+1)
assign (segid A and resid    7 and  name HB1  )(segid A and resid    8 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid    7 and  name HB2  )(segid A and resid    8 and  name HN   ) 4.0 1.2 2.0
assign (segid A and resid    8 and  name HB1  )(segid A and resid    9 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid    8 and  name HB2  )(segid A and resid    9 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid    9 and  name HB2  )(segid A and resid   10 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid    9 and  name HB1  )(segid A and resid   10 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   11 and  name HB#  )(segid A and resid   12 and  name HN   ) 3.0 1.2 1.3 
assign (segid A and resid   12 and  name HB   )(segid A and resid   13 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   13 and  name HB#  )(segid A and resid   14 and  name HN   ) 4.0 1.7 2.0 
assign (segid A and resid   14 and  name HB#  )(segid A and resid   15 and  name HN   ) 4.0 1.7 2.0 
assign (segid A and resid   16 and  name HB1  )(segid A and resid   17 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   16 and  name HB2  )(segid A and resid   17 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   17 and  name HB2  )(segid A and resid   18 and  name HN   ) 3.0 1.2 1.3
assign (segid A and resid   17 and  name HB1  )(segid A and resid   18 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   21 and  name HB1  )(segid A and resid   22 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   21 and  name HB2  )(segid A and resid   22 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   22 and  name HB   )(segid A and resid   23 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   23 and  name HB2  )(segid A and resid   24 and  name HN   ) 3.0 1.2 1.3
assign (segid A and resid   23 and  name HB1  )(segid A and resid   24 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   24 and  name HB1  )(segid A and resid   25 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   24 and  name HB2  )(segid A and resid   25 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   25 and  name HB1  )(segid A and resid   26 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   26 and  name HB1  )(segid A and resid   27 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   26 and  name HB2  )(segid A and resid   27 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   27 and  name HB   )(segid A and resid   28 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   28 and  name HB   )(segid A and resid   29 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   29 and  name HB1  )(segid A and resid   30 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   29 and  name HB2  )(segid A and resid   30 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   30 and  name HB2  )(segid A and resid   31 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   30 and  name HB1  )(segid A and resid   31 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   34 and  name HB1  )(segid A and resid   35 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   34 and  name HB2  )(segid A and resid   35 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   35 and  name HB#  )(segid A and resid   36 and  name HN   ) 3.0 1.2 1.8 
assign (segid A and resid   36 and  name HB1  )(segid A and resid   37 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   36 and  name HB2  )(segid A and resid   37 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   37 and  name HB   )(segid A and resid   38 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   38 and  name HB#  )(segid A and resid   39 and  name HN   ) 4.0 1.7 2.0 
assign (segid A and resid   40 and  name HB   )(segid A and resid   41 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   41 and  name HB   )(segid A and resid   42 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   42 and  name HB#  )(segid A and resid   43 and  name HN   ) 4.0 1.7 2.0
assign (segid A and resid   43 and  name HB1  )(segid A and resid   44 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   43 and  name HB2  )(segid A and resid   44 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   44 and  name HB1  )(segid A and resid   45 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   44 and  name HB2  )(segid A and resid   45 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   45 and  name HB1  )(segid A and resid   46 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   45 and  name HB2  )(segid A and resid   46 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   47 and  name HB1  )(segid A and resid   48 and  name HN   ) 3.0 1.2 1.3
assign (segid A and resid   47 and  name HB2  )(segid A and resid   48 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   48 and  name HB#  )(segid A and resid   49 and  name HN   ) 3.0 1.2 1.3 
assign (segid A and resid   49 and  name HB2  )(segid A and resid   50 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   49 and  name HB1  )(segid A and resid   50 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   50 and  name HB2  )(segid A and resid   51 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   50 and  name HB1  )(segid A and resid   51 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   51 and  name HB1  )(segid A and resid   52 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   51 and  name HB2  )(segid A and resid   52 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   55 and  name HB1  )(segid A and resid   56 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   55 and  name HB2  )(segid A and resid   56 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   56 and  name HB#  )(segid A and resid   57 and  name HN   ) 3.0 1.2 1.3
assign (segid A and resid   57 and  name HB1  )(segid A and resid   58 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   57 and  name HB2  )(segid A and resid   58 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   58 and  name HB   )(segid A and resid   59 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   59 and  name HB1  )(segid A and resid   60 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   59 and  name HB2  )(segid A and resid   60 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   60 and  name HB#  )(segid A and resid   61 and  name HN   ) 4.0 1.7 2.0 
assign (segid A and resid   62 and  name HB   )(segid A and resid   63 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   63 and  name HB1  )(segid A and resid   64 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   63 and  name HB2  )(segid A and resid   64 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   64 and  name HB2  )(segid A and resid   65 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   64 and  name HB1  )(segid A and resid   65 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   65 and  name HB1  )(segid A and resid   66 and  name HN   ) 3.0 1.2 1.3
assign (segid A and resid   65 and  name HB2  )(segid A and resid   66 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   66 and  name HB1  )(segid A and resid   67 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   66 and  name HB2  )(segid A and resid   67 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   68 and  name HB1  )(segid A and resid   69 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   68 and  name HB2  )(segid A and resid   69 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   69 and  name HB#  )(segid A and resid   70 and  name HN   ) 2.5 2.2 1.7 
assign (segid A and resid   70 and  name HB1  )(segid A and resid   71 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   70 and  name HB2  )(segid A and resid   71 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   71 and  name HB1  )(segid A and resid   72 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   71 and  name HB2  )(segid A and resid   72 and  name HN   ) 4.0 1.7 1.0


!NH(i)-NH(i+2)
assign (segid A and resid   45 and  name HN   )(segid A and resid   47 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   57 and  name HN   )(segid A and resid   59 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   58 and  name HN   )(segid A and resid   60 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   60 and  name HN   )(segid A and resid   62 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   61 and  name HN   )(segid A and resid   63 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   63 and  name HN   )(segid A and resid   65 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   64 and  name HN   )(segid A and resid   66 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   66 and  name HN   )(segid A and resid   68 and  name HN   ) 4.0 1.7 1.0
!NH(i)-NH(i+3)
assign (segid A and resid   18 and  name HN   )(segid A and resid   21 and  name HN   ) 4.0 1.2 2.0
assign (segid A and resid   31 and  name HN   )(segid A and resid   34 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   57 and  name HN   )(segid A and resid   60 and  name HN   ) 4.0 1.2 2.0
!NH(i)-NH(i+4)
assign (segid A and resid   43 and  name HN   )(segid A and resid   47 and  name HN   ) 4.0 1.7 1.0
!CaH(i)-NH(i+2)
assign (segid A and resid    7 and  name HA   )(segid A and resid    9 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid    9 and  name HA   )(segid A and resid   11 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   19 and  name HA   )(segid A and resid   21 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   22 and  name HA   )(segid A and resid   24 and  name HN   ) 3.0 1.0 0.5
assign (segid A and resid   34 and  name HA   )(segid A and resid   36 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   43 and  name HA   )(segid A and resid   45 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   44 and  name HA   )(segid A and resid   46 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   52 and  name HA   )(segid A and resid   54 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   53 and  name HA   )(segid A and resid   55 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   60 and  name HA   )(segid A and resid   62 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   64 and  name HA   )(segid A and resid   66 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   67 and  name HA   )(segid A and resid   69 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   70 and  name HA   )(segid A and resid   72 and  name HN   ) 4.0 1.7 1.0
!CaH(i)-NH(i+3)
assign (segid A and resid   19 and  name HA   )(segid A and resid   22 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   56 and  name HA   )(segid A and resid   59 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   57 and  name HA   )(segid A and resid   60 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   58 and  name HA   )(segid A and resid   61 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   60 and  name HA   )(segid A and resid   63 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   61 and  name HA   )(segid A and resid   64 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   62 and  name HA   )(segid A and resid   65 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   63 and  name HA   )(segid A and resid   66 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   64 and  name HA   )(segid A and resid   67 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   65 and  name HA   )(segid A and resid   68 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   66 and  name HA   )(segid A and resid   69 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   67 and  name HA   )(segid A and resid   70 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   68 and  name HA   )(segid A and resid   71 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   69 and  name HA   )(segid A and resid   72 and  name HN   ) 4.0 1.7 1.0
!CaH(i)-NH(i+4)
assign (segid A and resid   30 and  name HA   )(segid A and resid   34 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   56 and  name HA   )(segid A and resid   60 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   57 and  name HA   )(segid A and resid   61 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   58 and  name HA   )(segid A and resid   62 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   60 and  name HA   )(segid A and resid   64 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   65 and  name HA   )(segid A and resid   69 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   66 and  name HA   )(segid A and resid   70 and  name HN   ) 4.0 1.7 1.0
!CbH(i)-NH(i+2)
assign (segid A and resid    7 and  name HB1  )(segid A and resid    9 and  name HN   ) 3.0 0.7 1.2
assign (segid A and resid    9 and  name HB1  )(segid A and resid   11 and  name HN   ) 4.0 1.7 1.0
!CbH(i)-NH(i+3)
assign (segid A and resid   43 and  name HB2  )(segid A and resid   47 and  name HN   ) 3.0 1.2 0.5
assign (segid A and resid   43 and  name HB1  )(segid A and resid   47 and  name HN   ) 4.0 1.7 1.0
assign (segid A and resid   55 and  name HB1  )(segid A and resid   58 and  name HN   ) 4.0 1.2 2.0
assign (segid A and resid   55 and  name HB2  )(segid A and resid   58 and  name HN   ) 4.0 1.2 2.0
!CaH(i)-CbH(i+3)
assign (segid A and resid   56 and  name HA   )(segid A and resid   59 and  name HB2  ) 3.0 1.2 0.3
assign (segid A and resid   56 and  name HA   )(segid A and resid   59 and  name HB1  ) 4.0 1.7 1.0
assign (segid A and resid   58 and  name HA   )(segid A and resid   61 and  name HB   ) 4.0 1.7 1.0
assign (segid A and resid   60 and  name HA   )(segid A and resid   63 and  name HB1  ) 3.0 1.2 0.3
assign (segid A and resid   60 and  name HA   )(segid A and resid   63 and  name HB2  ) 3.0 1.2 0.3
assign (segid A and resid   61 and  name HA   )(segid A and resid   64 and  name HB2  ) 3.0 1.2 1.3
assign (segid A and resid   61 and  name HA   )(segid A and resid   64 and  name HB1  ) 4.0 1.7 1.0
assign (segid A and resid   62 and  name HA   )(segid A and resid   65 and  name HB1  ) 3.0 1.2 0.3
assign (segid A and resid   62 and  name HA   )(segid A and resid   65 and  name HB2  ) 3.0 1.2 0.3
assign (segid A and resid   63 and  name HA   )(segid A and resid   66 and  name HB#  ) 3.0 0.7 1.2
assign (segid A and resid   65 and  name HA   )(segid A and resid   68 and  name HB1  ) 4.0 1.7 1.0
assign (segid A and resid   65 and  name HA   )(segid A and resid   68 and  name HB2  ) 4.0 1.7 1.0
assign (segid A and resid   66 and  name HA   )(segid A and resid   69 and  name HB#  ) 3.0 1.2 1.7
assign (segid A and resid   67 and  name HA   )(segid A and resid   70 and  name HB1  ) 3.0 2.2 0.3 
assign (segid A and resid   67 and  name HA   )(segid A and resid   70 and  name HB2  ) 4.0 1.7 1.0



!Tyr-13 HD#
assign (segid A and resid 13 and name hd2) (segid A and resid 14 and name ha) 4.0 1.0 2.0
assign (segid A and resid 13 and name hd2) (segid A and resid 14 and name hn) 4.0 1.7 1.0
assign (segid A and resid 13 and name hd2) (segid A and resid 15 and name hb#) 4.0 1.0 3.0
assign (segid A and resid 13 and name hd2) (segid A and resid 15 and name hn) 4.0 1.7 1.0


!Tyr-13 HE#
assign (segid A and resid 13 and name he2) (segid A and resid 15 and name hn) 4.0 1.7 1.0
assign (segid A and resid 13 and name he2) (segid A and resid 17 and name hd1) 3.0 1.2 0.3

!Phe-17 HD#
assign (segid A and resid 17 and name hd2) (segid A and resid 19 and name ha) 4.0 1.7 1.0
assign (segid A and resid 17 and name hd2) (segid A and resid 22 and name hg11) 4.0 1.7 1.0
assign (segid A and resid 17 and name hd2) (segid A and resid 22 and name hg12) 4.0 1.7 1.0

!Phe-17 HE#
assign (segid A and resid 17 and name he2) (segid A and resid 19 and name ha) 4.0 1.7 1.0
assign (segid A and resid 17 and name he2) (segid A and resid 21 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 17 and name he2) (segid A and resid 21 and name hb1) 4.0 1.2 2.0
assign (segid A and resid 17 and name he2) (segid A and resid 22 and name hn) 4.0 1.2 2.0
assign (segid A and resid 17 and name he2) (segid A and resid 22 and name ha) 4.0 1.2 2.0
assign (segid A and resid 17 and name he2) (segid A and resid 22 and name hb) 4.0 1.2 2.0
assign (segid A and resid 17 and name he2) (segid A and resid 22 and name hg11) 3.0 1.2 0.3
assign (segid A and resid 17 and name he2) (segid A and resid 22 and name hg12) 3.0 1.2 0.3
assign (segid A and resid 17 and name he2) (segid A and resid 22 and name hd#) 3.0 1.2 1.8


!Phe-17 HZ
assign (segid A and resid 17 and name hz) (segid A and resid 22 and name hg11) 4.0 1.7 1.0
assign (segid A and resid 17 and name hz) (segid A and resid 22 and name hg12) 4.0 1.7 1.0
assign (segid A and resid 17 and name hz) (segid A and resid 22 and name hd#) 3.0 1.2 1.8


!His-18 HD2
assign (segid A and resid 18 and name hd2) (segid A and resid 19 and name hd1) 4.0 1.7 1.0
assign (segid A and resid 18 and name hd2) (segid A and resid 19 and name hd2) 4.0 1.7 1.0
assign (segid A and resid 18 and name hd2) (segid A and resid 20 and name hd#) 4.0 1.7 2.0
assign (segid A and resid 18 and name hd2) (segid A and resid 20 and name he#) 4.0 1.0 3.0

!His-18 HE1
assign (segid A and resid 18 and name he1) (segid A and resid 19 and name hd1) 4.0 1.7 1.0
assign (segid A and resid 18 and name he1) (segid A and resid 19 and name hg2) 4.0 1.7 1.0
assign (segid A and resid 18 and name he1) (segid A and resid 19 and name hg1) 4.0 1.0 2.0
assign (segid A and resid 18 and name he1) (segid A and resid 20 and name hb2) 3.0 1.2 0.3
assign (segid A and resid 18 and name he1) (segid A and resid 20 and name hb1) 4.0 1.0 2.0
assign (segid A and resid 18 and name he1) (segid A and resid 20 and name hn)  3.0 1.2 0.3
assign (segid A and resid 18 and name he1) (segid A and resid 20 and name ha)  4.0 1.7 1.0
assign (segid A and resid 18 and name he1) (segid A and resid 20 and name hd#) 4.0 1.7 2.0
assign (segid A and resid 18 and name he1) (segid A and resid 20 and name he#) 4.0 1.0 3.0


!Phe-21 HD#
assign (segid A and resid 21 and name hd2) (segid A and resid 18 and name hn) 3.0 1.2 0.3
assign (segid A and resid 21 and name hd2) (segid A and resid 18 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 21 and name hd2) (segid A and resid 18 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 21 and name hd#) (segid A and resid 20 and name he#) 4.0 1.2 4.0

!Phe-21 HE#
assign (segid A and resid 21 and name he2) (segid A and resid 18 and name hn) 4.0 1.7 1.0
assign (segid A and resid 21 and name he2) (segid A and resid 18 and name hb1) 3.0 1.2 0.3
assign (segid A and resid 21 and name he2) (segid A and resid 18 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 21 and name he#) (segid A and resid 20 and name he#) 3.0 1.2 3.3
assign (segid A and resid 21 and name he#) (segid A and resid 20 and name hd#) 4.0 1.2 4.0
assign (segid A and resid 21 and name he#) (segid A and resid 20 and name hg#) 4.0 1.2 4.0


!Phe-21 HZ
assign (segid A and resid 21 and name hz) (segid A and resid 18 and name hn) 4.0 1.0 2.0
assign (segid A and resid 21 and name hz) (segid A and resid 20 and name he#) 3.0 1.2 1.3

!His-33 HE1
assign (segid A and resid 33 and name he1) (segid A and resid 31 and name ha1)  3.0 1.2 0.3 
assign (segid A and resid 33 and name he1) (segid A and resid 31 and name ha2)  4.0 1.0 10.0
assign (segid A and resid 33 and name he1) (segid A and resid 32 and name hd2)  4.0 1.7 1.0 
assign (segid A and resid 33 and name he1) (segid A and resid 32 and name hd2)  4.0 1.0 10.0
assign (segid A and resid 33 and name he1) (segid A and resid 28 and name hg2#) 4.0 1.0 3.5

!His-33 HD2
assign (segid A and resid 33 and  name hd2) (segid A and resid 28 and  name hg2#) 4.0 1.7 2.0
assign (segid A and resid 33 and  name hd2) (segid A and resid 34 and  name ha)   4.0 1.0 2.0
assign (segid A and resid 33 and  name hd2) (segid A and resid 34 and  name hb2)  3.0 1.2 0.3



!Trp-57 HD1
assign (segid A and resid 57 and name hd1) (segid A and resid 55 and name hb#) 3.0 1.2 1.3
assign (segid A and resid 57 and name hd1) (segid A and resid 55 and name hg#) 4.0 1.7 2.0
assign (segid A and resid 57 and name hd1) (segid A and resid 56 and name hb#) 4.0 1.2 3.0

!Trp-57 HE1
assign (segid A and resid 57 and name he1) (segid A and resid 55 and name hb1) 3.0 1.2 0.3
assign (segid A and resid 57 and name he1) (segid A and resid 55 and name hb2) 3.0 1.2 0.3
assign (segid A and resid 57 and name he1) (segid A and resid 55 and name hg1) 4.0 1.7 1.0
assign (segid A and resid 57 and name he1) (segid A and resid 55 and name hg2) 4.0 1.7 1.0
assign (segid A and resid 57 and name he1) (segid A and resid 58 and name hg2#) 4.0 1.7 2.5

!Trp-57 HH2
assign (segid A and resid 57 and name hh2) (segid A and resid 58 and name ha) 4.0 1.7 1.0
assign (segid A and resid 57 and name hh2) (segid A and resid 58 and name hg2#) 3.0 1.2 1.8

!Trp-57 HZ3
assign (segid A and resid 57 and name hz3) (segid A and resid 58 and name ha) 4.0 1.7 1.0
assign (segid A and resid 57 and name hz3) (segid A and resid 58 and name hg2#) 3.0 1.2 1.8
assign (segid A and resid 57 and name hz3) (segid A and resid 61 and name hb) 4.0 1.7 1.0
assign (segid A and resid 57 and name hz3) (segid A and resid 61 and name hg2#) 2.5 0.7 1.7
assign (segid A and resid 57 and name hz3) (segid A and resid 61 and name hg1#) 3.0 1.2 1.8

!Trp-57 HE3
assign (segid A and resid 57 and name he3) (segid A and resid 58 and name ha) 4.0 1.7 1.0
assign (segid A and resid 57 and name he3) (segid A and resid 61 and name hb) 4.0 1.7 1.0
assign (segid A and resid 57 and name he3) (segid A and resid 61 and name hg1#) 3.0 1.2 1.8
assign (segid A and resid 57 and name he3) (segid A and resid 61 and name hg2#) 3.0 1.2 1.8

!Trp-57 HZ2
assign (segid A and resid 57 and name hz2) (segid A and resid 58 and name hg2#) 3.0 1.2 1.8


!Phe-65 HZ
assign (segid A and resid 65 and name hz) (segid A and resid 69 and name hb#) 2.5 0.7 1.7

!Phe-65 HD#
assign (segid A and resid 65 and name hd2) (segid A and resid 62 and name ha) 4.0 1.7 1.0
assign (segid A and resid 65 and name hd2) (segid A and resid 62 and name hg*) 3.0 1.2 4.7
assign (segid A and resid 65 and name hd2) (segid A and resid 66 and name ha) 4.0 1.7 1.0
assign (segid A and resid 65 and name hd2) (segid A and resid 66 and name hg) 3.0 1.2 3.2
assign (segid A and resid 65 and name hd2) (segid A and resid 66 and name hd1#) 4.0 1.7 2.5
assign (segid A and resid 65 and name hd2) (segid A and resid 66 and name hd2#) 4.0 1.7 2.5

!Phe-65 HE#
assign (segid A and resid 65 and name he2) (segid A and resid 69 and name hb#) 4.0 1.7 2.5
assign (segid A and resid 65 and name he2) (segid A and resid 66 and name hg) 4.0 1.7 1.0
assign (segid A and resid 65 and name he2) (segid A and resid 66 and name hd2#) 4.0 1.7 2.5

!Phe-21 NH
assign (segid A and resid   21 and  name HN   )(segid A and resid   20 and  name HG#  ) 4.0 1.7 2.0
assign (segid A and resid   21 and  name HN   )(segid A and resid   20 and  name HD#  ) 4.0 1.7 2.0

!Lys-15 CaH
assign (segid A and resid   15 and  name HA   )(segid A and resid   16 and  name HG#  ) 4.0 1.7 2.0 

!His-18 CaH
assign (segid A and resid   18 and  name HA   )(segid A and resid   19 and  name HG#  ) 4.0 1.7 2.0 

!Pro-19 CaH
assign (segid A and resid   19 and  name HA   )(segid A and resid   22 and  name HG1# ) 3.0 1.2 1.3

!Arg-26 CaH
assign (segid A and resid   26 and  name HA   )(segid A and resid   25 and  name HD1# ) 4.0 1.7 2.5
assign (segid A and resid   26 and  name HA   )(segid A and resid   27 and  name HB   ) 4.0 1.7 1.0
assign (segid A and resid   26 and  name HA   )(segid A and resid   27 and  name HG2# ) 4.0 1.7 2.5 

!Val-27 CaH
assign (segid A and resid   27 and  name HA   )(segid A and resid   26 and  name HB#  ) 4.0 1.7 3.0
assign (segid A and resid   27 and  name HA   )(segid A and resid   28 and  name HB   ) 4.0 1.7 1.0

!Ile-40 CaH
assign (segid A and resid   40 and  name HA   )(segid A and resid   41 and  name HG1# ) 4.0 1.7 2.5 

!Val-41 CaH
assign (segid A and resid   41 and  name HA   )(segid A and resid   40 and  name HG2# ) 4.0 1.7 2.5 
assign (segid A and resid   41 and  name HA   )(segid A and resid   42 and  name HB#  ) 4.0 1.7 1.0 

!Cys-50 CaH
assign (segid A and resid   50 and  name HA   )(segid A and resid   51 and  name HB2  ) 4.0 1.7 1.0
assign (segid A and resid   50 and  name HA   )(segid A and resid   51 and  name HD2# ) 4.0 1.7 2.5

!Val-58 CaH
assign (segid A and resid   58 and  name HA   )(segid A and resid   61 and  name HG2# ) 2.5 0.7 1.7
assign (segid A and resid   58 and  name HA   )(segid A and resid   61 and  name HG1# ) 3.0 1.2 1.8
assign (segid A and resid   58 and  name HA   )(segid A and resid   62 and  name HG*  ) 4.0 1.7 3.4 

!Arg-67 CaH
assign (segid A and resid   67 and  name HA   )(segid A and resid   70 and  name HG#  ) 4.0 1.7 2.0 

!Thr-12 HG2#
assign (segid A and resid   12 and  name HG2# )(segid A and resid    9 and  name HB#  ) 4.0 1.0 2.5 
assign (segid A and resid   12 and  name HG2# )(segid A and resid    9 and  name HB2  ) 4.0 1.0 2.5 
assign (segid A and resid   12 and  name HG2# )(segid A and resid   11 and  name HA   ) 4.0 1.0 2.5 
assign (segid A and resid   12 and  name HG2# )(segid A and resid   13 and  name HN   ) 4.0 1.7 2.5

!Ile-22 HG2#
assign (segid A and resid   22 and  name HG2# )(segid A and resid   19 and  name HA   ) 4.0 3.7 2.5 
assign (segid A and resid   22 and  name HG2# )(segid A and resid   25 and  name HB2  ) 4.0 1.7 1.0 
assign (segid A and resid   22 and  name HG2# )(segid A and resid   25 and  name HG   ) 4.0 1.7 2.5 

!Ile-22 HD#
assign (segid A and resid   22 and  name HD#  )(segid A and resid   21 and  name HB2  ) 3.0 1.2 1.8
assign (segid A and resid   22 and  name HD#  )(segid A and resid   21 and  name HB1  ) 4.0 1.7 2.5

!Ile-28 HG2#
assign (segid A and resid   28 and  name HG2# )(segid A and resid   29 and  name HN   ) 3.0 1.2 1.8

!Ile-39 HG2#
assign (segid A and resid   39 and  name HG2# )(segid A and resid   40 and  name HN   ) 3.0 1.2 1.8


!Ile-40 HG2#
assign (segid A and resid   40 and  name HG2# )(segid A and resid   41 and  name HN   ) 3.0 1.2 1.8

!Leu-43 HD#
assign (segid A and resid   43 and  name HD2#  )(segid A and resid   44 and  name HN   ) 4.0 1.7 2.5
assign (segid A and resid   43 and  name HD2#  )(segid A and resid   47 and  name HN   ) 4.0 1.7 2.5
assign (segid A and resid   43 and  name HD2#  )(segid A and resid   47 and  name HE   ) 4.0 1.7 2.5

!Leu-49 HD#
assign (segid A and resid   49 and  name HD1#  )(segid A and resid   50 and  name HN   ) 4.0 1.7 2.5
assign (segid A and resid   49 and  name HD2#  )(segid A and resid   50 and  name HN   ) 4.0 1.7 3.5

!Val-58 HG1#
assign (segid A and resid   58 and  name HG1# )(segid A and resid   59 and  name HA   ) 4.0 1.7 2.5 
assign (segid A and resid   58 and  name HG1# )(segid A and resid   59 and  name HB2  ) 4.0 1.7 2.5
assign (segid A and resid   58 and  name HG1# )(segid A and resid   59 and  name HN   ) 3.0 1.2 1.8
assign (segid A and resid   58 and  name HG1# )(segid A and resid   62 and  name HG2# ) 2.5 0.7 2.7

!Val-58 HG2#
assign (segid A and resid   58 and  name HG1# )(segid A and resid   55 and  name HN   ) 3.0 1.2 1.8
assign (segid A and resid   58 and  name HG2# )(segid A and resid   55 and  name HB2  ) 3.0 1.2 1.8
assign (segid A and resid   58 and  name HG2# )(segid A and resid   55 and  name HB1  ) 4.0 1.7 2.5
assign (segid A and resid   58 and  name HG2# )(segid A and resid   55 and  name HG#  ) 4.0 1.7 3.5



!A.1.2 short range interresidue (|i - j| <= 5) NOES: intramonomer segid B

!CaH(i)-NH(i+1) (includes Noes to CdH and CaH of Pro)
assign (segid B and resid    4 and  name HA   )(segid B and resid    5 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid    5 and  name HA   )(segid B and resid    6 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid    6 and  name HA   )(segid B and resid    7 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid    7 and  name HA   )(segid B and resid    8 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid    8 and  name HA   )(segid B and resid    9 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid    9 and  name HA   )(segid B and resid   10 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   10 and  name HA   )(segid B and resid   11 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   11 and  name HA   )(segid B and resid   12 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   12 and  name HA   )(segid B and resid   13 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   13 and  name HA   )(segid B and resid   14 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   14 and  name HA   )(segid B and resid   15 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   15 and  name HA   )(segid B and resid   16 and  name HD1  ) 2.5 0.7 1.2 
assign (segid B and resid   15 and  name HA   )(segid B and resid   16 and  name HD2  ) 2.5 0.7 0.2
assign (segid B and resid   16 and  name HA   )(segid B and resid   17 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   17 and  name HA   )(segid B and resid   18 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   18 and  name HA   )(segid B and resid   19 and  name HD1  ) 2.5 0.7 1.2 
assign (segid B and resid   18 and  name HA   )(segid B and resid   19 and  name HD2  ) 2.5 0.7 0.2
assign (segid B and resid   19 and  name HA   )(segid B and resid   20 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   20 and  name HA   )(segid B and resid   21 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   21 and  name HA   )(segid B and resid   22 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   22 and  name HA   )(segid B and resid   23 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   23 and  name HA   )(segid B and resid   24 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   24 and  name HA   )(segid B and resid   25 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   25 and  name HA   )(segid B and resid   26 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   26 and  name HA   )(segid B and resid   27 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   27 and  name HA   )(segid B and resid   28 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   28 and  name HA   )(segid B and resid   29 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   29 and  name HA   )(segid B and resid   30 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   30 and  name HA   )(segid B and resid   31 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   31 and  name HA2  )(segid B and resid   32 and  name HD1  ) 4.0 1.7 1.0
assign (segid B and resid   31 and  name HA1  )(segid B and resid   32 and  name HD2  ) 3.0 1.2 0.5 
assign (segid B and resid   31 and  name HA2  )(segid B and resid   32 and  name HD2  ) 3.0 1.2 0.5 
assign (segid B and resid   31 and  name HA1  )(segid B and resid   32 and  name HD1  ) 3.0 1.2 0.5
assign (segid B and resid   33 and  name HA   )(segid B and resid   34 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   34 and  name HA   )(segid B and resid   35 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   35 and  name HA   )(segid B and resid   36 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   36 and  name HA   )(segid B and resid   37 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   37 and  name HA   )(segid B and resid   38 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   38 and  name HA   )(segid B and resid   39 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   39 and  name HA   )(segid B and resid   40 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   40 and  name HA   )(segid B and resid   41 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   41 and  name HA   )(segid B and resid   42 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   42 and  name HA   )(segid B and resid   43 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   43 and  name HA   )(segid B and resid   44 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   44 and  name HA   )(segid B and resid   45 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   45 and  name HA   )(segid B and resid   46 and  name HN   ) 4.0 1.0 1.0
assign (segid B and resid   46 and  name HA1  )(segid B and resid   47 and  name HN   ) 4.0 1.7 1.0 
assign (segid B and resid   46 and  name HA2  )(segid B and resid   47 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   47 and  name HA   )(segid B and resid   48 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   48 and  name HA   )(segid B and resid   49 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   50 and  name HA   )(segid B and resid   51 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   51 and  name HA   )(segid B and resid   52 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   52 and  name HA   )(segid B and resid   53 and  name HD1  ) 2.5 0.7 0.2
assign (segid B and resid   52 and  name HA   )(segid B and resid   53 and  name HD1  ) 2.5 0.7 0.2
assign (segid B and resid   53 and  name HD1  )(segid B and resid   54 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   53 and  name HD2  )(segid B and resid   54 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   54 and  name HA   )(segid B and resid   55 and  name HN   ) 4.0 1.2 1.0
assign (segid B and resid   55 and  name HA   )(segid B and resid   56 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   56 and  name HA   )(segid B and resid   57 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   57 and  name HA   )(segid B and resid   58 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   58 and  name HA   )(segid B and resid   59 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   59 and  name HA   )(segid B and resid   60 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   60 and  name HA   )(segid B and resid   61 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   61 and  name HA   )(segid B and resid   62 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   62 and  name HA   )(segid B and resid   63 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   64 and  name HA   )(segid B and resid   65 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   65 and  name HA   )(segid B and resid   66 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   66 and  name HA   )(segid B and resid   67 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   67 and  name HA   )(segid B and resid   68 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   68 and  name HA   )(segid B and resid   69 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   69 and  name HA   )(segid B and resid   70 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   70 and  name HA   )(segid B and resid   71 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   71 and  name HA   )(segid B and resid   72 and  name HN   ) 3.0 1.2 0.5

!NH(i)-NH(i+1) NOEs (includes NOEs to Pro CdH)
assign (segid B and resid    8 and  name HN   )(segid B and resid    9 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   10 and  name HN   )(segid B and resid   11 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   11 and  name HN   )(segid B and resid   12 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   12 and  name HN   )(segid B and resid   13 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   14 and  name HN   )(segid B and resid   15 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   15 and  name HN   )(segid B and resid   16 and  name HD#  ) 4.0 1.7 3.0 
assign (segid B and resid   18 and  name HN   )(segid B and resid   19 and  name HD#  ) 4.0 1.7 3.0 
assign (segid B and resid   20 and  name HN   )(segid B and resid   21 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   23 and  name HN   )(segid B and resid   24 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   24 and  name HN   )(segid B and resid   25 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   28 and  name HN   )(segid B and resid   29 and  name HN   ) 4.0 1.2 1.0
assign (segid B and resid   29 and  name HN   )(segid B and resid   30 and  name HN   ) 4.0 1.2 1.0
assign (segid B and resid   30 and  name HN   )(segid B and resid   31 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   31 and  name HN   )(segid B and resid   32 and  name HD#  ) 4.0 1.2 2.0 
assign (segid B and resid   32 and  name HD#  )(segid B and resid   33 and  name HN   ) 4.0 1.2 2.0 
assign (segid B and resid   33 and  name HN   )(segid B and resid   34 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   35 and  name HN   )(segid B and resid   36 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   36 and  name HN   )(segid B and resid   37 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   42 and  name HN   )(segid B and resid   43 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   43 and  name HN   )(segid B and resid   44 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   44 and  name HN   )(segid B and resid   45 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   45 and  name HN   )(segid B and resid   46 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   46 and  name HN   )(segid B and resid   47 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   48 and  name HN   )(segid B and resid   49 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   49 and  name HN   )(segid B and resid   50 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   50 and  name HN   )(segid B and resid   51 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   54 and  name HN   )(segid B and resid   55 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   55 and  name HN   )(segid B and resid   56 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   56 and  name HN   )(segid B and resid   57 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   57 and  name HN   )(segid B and resid   58 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   58 and  name HN   )(segid B and resid   59 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   59 and  name HN   )(segid B and resid   60 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   60 and  name HN   )(segid B and resid   61 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   61 and  name HN   )(segid B and resid   62 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   62 and  name HN   )(segid B and resid   63 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   63 and  name HN   )(segid B and resid   64 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   64 and  name HN   )(segid B and resid   65 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   65 and  name HN   )(segid B and resid   66 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   66 and  name HN   )(segid B and resid   67 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   67 and  name HN   )(segid B and resid   68 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   68 and  name HN   )(segid B and resid   69 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   69 and  name HN   )(segid B and resid   70 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   70 and  name HN   )(segid B and resid   71 and  name HN   ) 2.5 0.7 0.2
assign (segid B and resid   71 and  name HN   )(segid B and resid   72 and  name HN   ) 2.5 0.7 0.2
!CbH(i)-NH(i+1)
assign (segid B and resid    7 and  name HB1  )(segid B and resid    8 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid    7 and  name HB2  )(segid B and resid    8 and  name HN   ) 4.0 1.2 2.0
assign (segid B and resid    8 and  name HB1  )(segid B and resid    9 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid    8 and  name HB2  )(segid B and resid    9 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid    9 and  name HB2  )(segid B and resid   10 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid    9 and  name HB1  )(segid B and resid   10 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   11 and  name HB#  )(segid B and resid   12 and  name HN   ) 3.0 1.2 1.3 
assign (segid B and resid   12 and  name HB   )(segid B and resid   13 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   13 and  name HB#  )(segid B and resid   14 and  name HN   ) 4.0 1.7 2.0 
assign (segid B and resid   14 and  name HB#  )(segid B and resid   15 and  name HN   ) 4.0 1.7 2.0 
assign (segid B and resid   16 and  name HB1  )(segid B and resid   17 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   16 and  name HB2  )(segid B and resid   17 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   17 and  name HB2  )(segid B and resid   18 and  name HN   ) 3.0 1.2 1.3
assign (segid B and resid   17 and  name HB1  )(segid B and resid   18 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   21 and  name HB1  )(segid B and resid   22 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   21 and  name HB2  )(segid B and resid   22 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   22 and  name HB   )(segid B and resid   23 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   23 and  name HB2  )(segid B and resid   24 and  name HN   ) 3.0 1.2 1.3
assign (segid B and resid   23 and  name HB1  )(segid B and resid   24 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   24 and  name HB1  )(segid B and resid   25 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   24 and  name HB2  )(segid B and resid   25 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   25 and  name HB1  )(segid B and resid   26 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   26 and  name HB1  )(segid B and resid   27 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   26 and  name HB2  )(segid B and resid   27 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   27 and  name HB   )(segid B and resid   28 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   28 and  name HB   )(segid B and resid   29 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   29 and  name HB1  )(segid B and resid   30 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   29 and  name HB2  )(segid B and resid   30 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   30 and  name HB2  )(segid B and resid   31 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   30 and  name HB1  )(segid B and resid   31 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   34 and  name HB1  )(segid B and resid   35 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   34 and  name HB2  )(segid B and resid   35 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   35 and  name HB#  )(segid B and resid   36 and  name HN   ) 3.0 1.2 1.8 
assign (segid B and resid   36 and  name HB1  )(segid B and resid   37 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   36 and  name HB2  )(segid B and resid   37 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   37 and  name HB   )(segid B and resid   38 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   38 and  name HB#  )(segid B and resid   39 and  name HN   ) 4.0 1.7 2.0 
assign (segid B and resid   40 and  name HB   )(segid B and resid   41 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   41 and  name HB   )(segid B and resid   42 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   42 and  name HB#  )(segid B and resid   43 and  name HN   ) 4.0 1.7 2.0
assign (segid B and resid   43 and  name HB1  )(segid B and resid   44 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   43 and  name HB2  )(segid B and resid   44 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   44 and  name HB1  )(segid B and resid   45 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   44 and  name HB2  )(segid B and resid   45 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   45 and  name HB1  )(segid B and resid   46 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   45 and  name HB2  )(segid B and resid   46 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   47 and  name HB1  )(segid B and resid   48 and  name HN   ) 3.0 1.2 1.3
assign (segid B and resid   47 and  name HB2  )(segid B and resid   48 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   48 and  name HB#  )(segid B and resid   49 and  name HN   ) 3.0 1.2 1.3 
assign (segid B and resid   49 and  name HB2  )(segid B and resid   50 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   49 and  name HB1  )(segid B and resid   50 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   50 and  name HB2  )(segid B and resid   51 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   50 and  name HB1  )(segid B and resid   51 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   51 and  name HB1  )(segid B and resid   52 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   51 and  name HB2  )(segid B and resid   52 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   55 and  name HB1  )(segid B and resid   56 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   55 and  name HB2  )(segid B and resid   56 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   56 and  name HB#  )(segid B and resid   57 and  name HN   ) 3.0 1.2 1.3
assign (segid B and resid   57 and  name HB1  )(segid B and resid   58 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   57 and  name HB2  )(segid B and resid   58 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   58 and  name HB   )(segid B and resid   59 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   59 and  name HB1  )(segid B and resid   60 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   59 and  name HB2  )(segid B and resid   60 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   60 and  name HB#  )(segid B and resid   61 and  name HN   ) 4.0 1.7 2.0 
assign (segid B and resid   62 and  name HB   )(segid B and resid   63 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   63 and  name HB1  )(segid B and resid   64 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   63 and  name HB2  )(segid B and resid   64 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   64 and  name HB2  )(segid B and resid   65 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   64 and  name HB1  )(segid B and resid   65 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   65 and  name HB1  )(segid B and resid   66 and  name HN   ) 3.0 1.2 1.3
assign (segid B and resid   65 and  name HB2  )(segid B and resid   66 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   66 and  name HB1  )(segid B and resid   67 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   66 and  name HB2  )(segid B and resid   67 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   68 and  name HB1  )(segid B and resid   69 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   68 and  name HB2  )(segid B and resid   69 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   69 and  name HB#  )(segid B and resid   70 and  name HN   ) 2.5 2.2 1.7 
assign (segid B and resid   70 and  name HB1  )(segid B and resid   71 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   70 and  name HB2  )(segid B and resid   71 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   71 and  name HB1  )(segid B and resid   72 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   71 and  name HB2  )(segid B and resid   72 and  name HN   ) 4.0 1.7 1.0


!NH(i)-NH(i+2)
assign (segid B and resid   45 and  name HN   )(segid B and resid   47 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   57 and  name HN   )(segid B and resid   59 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   58 and  name HN   )(segid B and resid   60 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   60 and  name HN   )(segid B and resid   62 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   61 and  name HN   )(segid B and resid   63 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   63 and  name HN   )(segid B and resid   65 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   64 and  name HN   )(segid B and resid   66 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   66 and  name HN   )(segid B and resid   68 and  name HN   ) 4.0 1.7 1.0
!NH(i)-NH(i+3)
assign (segid B and resid   18 and  name HN   )(segid B and resid   21 and  name HN   ) 4.0 1.2 2.0
assign (segid B and resid   31 and  name HN   )(segid B and resid   34 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   57 and  name HN   )(segid B and resid   60 and  name HN   ) 4.0 1.2 2.0
!NH(i)-NH(i+4)
assign (segid B and resid   43 and  name HN   )(segid B and resid   47 and  name HN   ) 4.0 1.7 1.0
!CaH(i)-NH(i+2)
assign (segid B and resid    7 and  name HA   )(segid B and resid    9 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid    9 and  name HA   )(segid B and resid   11 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   19 and  name HA   )(segid B and resid   21 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   22 and  name HA   )(segid B and resid   24 and  name HN   ) 3.0 1.0 0.5
assign (segid B and resid   34 and  name HA   )(segid B and resid   36 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   43 and  name HA   )(segid B and resid   45 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   44 and  name HA   )(segid B and resid   46 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   52 and  name HA   )(segid B and resid   54 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   53 and  name HA   )(segid B and resid   55 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   60 and  name HA   )(segid B and resid   62 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   64 and  name HA   )(segid B and resid   66 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   67 and  name HA   )(segid B and resid   69 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   70 and  name HA   )(segid B and resid   72 and  name HN   ) 4.0 1.7 1.0
!CaH(i)-NH(i+3)
assign (segid B and resid   19 and  name HA   )(segid B and resid   22 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   56 and  name HA   )(segid B and resid   59 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   57 and  name HA   )(segid B and resid   60 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   58 and  name HA   )(segid B and resid   61 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   60 and  name HA   )(segid B and resid   63 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   61 and  name HA   )(segid B and resid   64 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   62 and  name HA   )(segid B and resid   65 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   63 and  name HA   )(segid B and resid   66 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   64 and  name HA   )(segid B and resid   67 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   65 and  name HA   )(segid B and resid   68 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   66 and  name HA   )(segid B and resid   69 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   67 and  name HA   )(segid B and resid   70 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   68 and  name HA   )(segid B and resid   71 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   69 and  name HA   )(segid B and resid   72 and  name HN   ) 4.0 1.7 1.0
!CaH(i)-NH(i+4)
assign (segid B and resid   30 and  name HA   )(segid B and resid   34 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   56 and  name HA   )(segid B and resid   60 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   57 and  name HA   )(segid B and resid   61 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   58 and  name HA   )(segid B and resid   62 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   60 and  name HA   )(segid B and resid   64 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   65 and  name HA   )(segid B and resid   69 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   66 and  name HA   )(segid B and resid   70 and  name HN   ) 4.0 1.7 1.0
!CbH(i)-NH(i+2)
assign (segid B and resid    7 and  name HB1  )(segid B and resid    9 and  name HN   ) 3.0 0.7 1.2
assign (segid B and resid    9 and  name HB1  )(segid B and resid   11 and  name HN   ) 4.0 1.7 1.0
!CbH(i)-NH(i+3)
assign (segid B and resid   43 and  name HB2  )(segid B and resid   47 and  name HN   ) 3.0 1.2 0.5
assign (segid B and resid   43 and  name HB1  )(segid B and resid   47 and  name HN   ) 4.0 1.7 1.0
assign (segid B and resid   55 and  name HB1  )(segid B and resid   58 and  name HN   ) 4.0 1.2 2.0
assign (segid B and resid   55 and  name HB2  )(segid B and resid   58 and  name HN   ) 4.0 1.2 2.0
!CaH(i)-CbH(i+3)
assign (segid B and resid   56 and  name HA   )(segid B and resid   59 and  name HB2  ) 3.0 1.2 0.3
assign (segid B and resid   56 and  name HA   )(segid B and resid   59 and  name HB1  ) 4.0 1.7 1.0
assign (segid B and resid   58 and  name HA   )(segid B and resid   61 and  name HB   ) 4.0 1.7 1.0
assign (segid B and resid   60 and  name HA   )(segid B and resid   63 and  name HB1  ) 3.0 1.2 0.3
assign (segid B and resid   60 and  name HA   )(segid B and resid   63 and  name HB2  ) 3.0 1.2 0.3
assign (segid B and resid   61 and  name HA   )(segid B and resid   64 and  name HB2  ) 3.0 1.2 1.3
assign (segid B and resid   61 and  name HA   )(segid B and resid   64 and  name HB1  ) 4.0 1.7 1.0
assign (segid B and resid   62 and  name HA   )(segid B and resid   65 and  name HB1  ) 3.0 1.2 0.3
assign (segid B and resid   62 and  name HA   )(segid B and resid   65 and  name HB2  ) 3.0 1.2 0.3
assign (segid B and resid   63 and  name HA   )(segid B and resid   66 and  name HB#  ) 3.0 0.7 1.2
assign (segid B and resid   65 and  name HA   )(segid B and resid   68 and  name HB1  ) 4.0 1.7 1.0
assign (segid B and resid   65 and  name HA   )(segid B and resid   68 and  name HB2  ) 4.0 1.7 1.0
assign (segid B and resid   66 and  name HA   )(segid B and resid   69 and  name HB#  ) 3.0 1.2 1.7
assign (segid B and resid   67 and  name HA   )(segid B and resid   70 and  name HB1  ) 3.0 2.2 0.3 
assign (segid B and resid   67 and  name HA   )(segid B and resid   70 and  name HB2  ) 4.0 1.7 1.0



!Tyr-13 HD#
assign (segid B and resid 13 and name hd2) (segid B and resid 14 and name ha) 4.0 1.0 2.0
assign (segid B and resid 13 and name hd2) (segid B and resid 14 and name hn) 4.0 1.7 1.0
assign (segid B and resid 13 and name hd2) (segid B and resid 15 and name hb#) 4.0 1.0 3.0
assign (segid B and resid 13 and name hd2) (segid B and resid 15 and name hn) 4.0 1.7 1.0


!Tyr-13 HE#
assign (segid B and resid 13 and name he2) (segid B and resid 15 and name hn) 4.0 1.7 1.0
assign (segid B and resid 13 and name he2) (segid B and resid 17 and name hd1) 3.0 1.2 0.3

!Phe-17 HD#
assign (segid B and resid 17 and name hd2) (segid B and resid 19 and name ha) 4.0 1.7 1.0
assign (segid B and resid 17 and name hd2) (segid B and resid 22 and name hg11) 4.0 1.7 1.0
assign (segid B and resid 17 and name hd2) (segid B and resid 22 and name hg12) 4.0 1.7 1.0

!Phe-17 HE#
assign (segid B and resid 17 and name he2) (segid B and resid 19 and name ha) 4.0 1.7 1.0
assign (segid B and resid 17 and name he2) (segid B and resid 21 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 17 and name he2) (segid B and resid 21 and name hb1) 4.0 1.2 2.0
assign (segid B and resid 17 and name he2) (segid B and resid 22 and name hn) 4.0 1.2 2.0
assign (segid B and resid 17 and name he2) (segid B and resid 22 and name ha) 4.0 1.2 2.0
assign (segid B and resid 17 and name he2) (segid B and resid 22 and name hb) 4.0 1.2 2.0
assign (segid B and resid 17 and name he2) (segid B and resid 22 and name hg11) 3.0 1.2 0.3
assign (segid B and resid 17 and name he2) (segid B and resid 22 and name hg12) 3.0 1.2 0.3
assign (segid B and resid 17 and name he2) (segid B and resid 22 and name hd#) 3.0 1.2 1.8


!Phe-17 HZ
assign (segid B and resid 17 and name hz) (segid B and resid 22 and name hg11) 4.0 1.7 1.0
assign (segid B and resid 17 and name hz) (segid B and resid 22 and name hg12) 4.0 1.7 1.0
assign (segid B and resid 17 and name hz) (segid B and resid 22 and name hd#) 3.0 1.2 1.8


!His-18 HD2
assign (segid B and resid 18 and name hd2) (segid B and resid 19 and name hd1) 4.0 1.7 1.0
assign (segid B and resid 18 and name hd2) (segid B and resid 19 and name hd2) 4.0 1.7 1.0
assign (segid B and resid 18 and name hd2) (segid B and resid 20 and name hd#) 4.0 1.7 2.0
assign (segid B and resid 18 and name hd2) (segid B and resid 20 and name he#) 4.0 1.0 3.0

!His-18 HE1
assign (segid B and resid 18 and name he1) (segid B and resid 19 and name hd1) 4.0 1.7 1.0
assign (segid B and resid 18 and name he1) (segid B and resid 19 and name hg2) 4.0 1.7 1.0
assign (segid B and resid 18 and name he1) (segid B and resid 19 and name hg1) 4.0 1.0 2.0
assign (segid B and resid 18 and name he1) (segid B and resid 20 and name hn)  3.0 1.2 0.3
assign (segid B and resid 18 and name he1) (segid B and resid 20 and name hb2) 3.0 1.2 0.3
assign (segid B and resid 18 and name he1) (segid B and resid 20 and name hb1) 4.0 1.0 2.0
assign (segid B and resid 18 and name he1) (segid B and resid 20 and name ha)  4.0 1.7 1.0
assign (segid B and resid 18 and name he1) (segid B and resid 20 and name hd#) 4.0 1.7 2.0
assign (segid B and resid 18 and name he1) (segid B and resid 20 and name he#) 4.0 1.0 3.0


!Phe-21 HD#
assign (segid B and resid 21 and name hd2) (segid B and resid 18 and name hn) 3.0 1.2 0.3
assign (segid B and resid 21 and name hd2) (segid B and resid 18 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 21 and name hd2) (segid B and resid 18 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 21 and name hd#) (segid B and resid 20 and name he#) 4.0 1.2 4.0

!Phe-21 HE#
assign (segid B and resid 21 and name he2) (segid B and resid 18 and name hn) 4.0 1.7 1.0
assign (segid B and resid 21 and name he2) (segid B and resid 18 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 21 and name he2) (segid B and resid 18 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 21 and name he#) (segid B and resid 20 and name he#) 3.0 1.2 3.3
assign (segid B and resid 21 and name he#) (segid B and resid 20 and name hd#) 4.0 1.2 4.0
assign (segid B and resid 21 and name he#) (segid B and resid 20 and name hg#) 4.0 1.2 4.0


!Phe-21 HZ
assign (segid B and resid 21 and name hz) (segid B and resid 18 and name hn) 4.0 1.0 2.0
assign (segid B and resid 21 and name hz) (segid B and resid 20 and name he#) 3.0 1.2 1.3

!His-33 HE1
assign (segid B and resid 33 and name he1) (segid B and resid 31 and name ha1)  3.0 1.2 0.3 
assign (segid B and resid 33 and name he1) (segid B and resid 31 and name ha2)  4.0 1.0 10.0
assign (segid B and resid 33 and name he1) (segid B and resid 32 and name hd2)  4.0 1.7 1.0 
assign (segid B and resid 33 and name he1) (segid B and resid 32 and name hd2)  4.0 1.0 10.0
assign (segid B and resid 33 and name he1) (segid B and resid 28 and name hg2#) 4.0 1.0 3.5

!His-33 HD2
assign (segid B and resid 33 and  name hd2) (segid B and resid 28 and  name hg2#) 4.0 1.7 2.0
assign (segid B and resid 33 and  name hd2) (segid B and resid 34 and  name ha)   4.0 1.0 2.0
assign (segid B and resid 33 and  name hd2) (segid B and resid 34 and  name hb2)  3.0 1.2 0.3



!Trp-57 HD1
assign (segid B and resid 57 and name hd1) (segid B and resid 55 and name hb#) 3.0 1.2 1.3
assign (segid B and resid 57 and name hd1) (segid B and resid 55 and name hg#) 4.0 1.7 2.0
assign (segid B and resid 57 and name hd1) (segid B and resid 56 and name hb#) 4.0 1.2 3.0

!Trp-57 HE1
assign (segid B and resid 57 and name he1) (segid B and resid 55 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 57 and name he1) (segid B and resid 55 and name hb2) 3.0 1.2 0.3
assign (segid B and resid 57 and name he1) (segid B and resid 55 and name hg1) 4.0 1.7 1.0
assign (segid B and resid 57 and name he1) (segid B and resid 55 and name hg2) 4.0 1.7 1.0
assign (segid B and resid 57 and name he1) (segid B and resid 58 and name hg2#) 4.0 1.7 2.5

!Trp-57 HH2
assign (segid B and resid 57 and name hh2) (segid B and resid 58 and name ha) 4.0 1.7 1.0
assign (segid B and resid 57 and name hh2) (segid B and resid 58 and name hg2#) 3.0 1.2 1.8

!Trp-57 HZ3
assign (segid B and resid 57 and name hz3) (segid B and resid 58 and name ha) 4.0 1.7 1.0
assign (segid B and resid 57 and name hz3) (segid B and resid 58 and name hg2#) 3.0 1.2 1.8
assign (segid B and resid 57 and name hz3) (segid B and resid 61 and name hb) 4.0 1.7 1.0
assign (segid B and resid 57 and name hz3) (segid B and resid 61 and name hg2#) 2.5 0.7 1.7
assign (segid B and resid 57 and name hz3) (segid B and resid 61 and name hg1#) 3.0 1.2 1.8

!Trp-57 HE3
assign (segid B and resid 57 and name he3) (segid B and resid 58 and name ha) 4.0 1.7 1.0
assign (segid B and resid 57 and name he3) (segid B and resid 61 and name hb) 4.0 1.7 1.0
assign (segid B and resid 57 and name he3) (segid B and resid 61 and name hg1#) 3.0 1.2 1.8
assign (segid B and resid 57 and name he3) (segid B and resid 61 and name hg2#) 3.0 1.2 1.8

!Trp-57 HZ2
assign (segid B and resid 57 and name hz2) (segid B and resid 58 and name hg2#) 3.0 1.2 1.8


!Phe-65 HZ
assign (segid B and resid 65 and name hz) (segid B and resid 69 and name hb#) 2.5 0.7 1.7

!Phe-65 HD#
assign (segid B and resid 65 and name hd2) (segid B and resid 62 and name ha) 4.0 1.7 1.0
assign (segid B and resid 65 and name hd2) (segid B and resid 62 and name hg*) 3.0 1.2 4.7
assign (segid B and resid 65 and name hd2) (segid B and resid 66 and name ha) 4.0 1.7 1.0
assign (segid B and resid 65 and name hd2) (segid B and resid 66 and name hg) 3.0 1.2 3.2
assign (segid B and resid 65 and name hd2) (segid B and resid 66 and name hd1#) 4.0 1.7 2.5
assign (segid B and resid 65 and name hd2) (segid B and resid 66 and name hd2#) 4.0 1.7 2.5

!Phe-65 HE#
assign (segid B and resid 65 and name he2) (segid B and resid 69 and name hb#) 4.0 1.7 2.5
assign (segid B and resid 65 and name he2) (segid B and resid 66 and name hg) 4.0 1.7 1.0
assign (segid B and resid 65 and name he2) (segid B and resid 66 and name hd2#) 4.0 1.7 2.5

!Phe-21 NH
assign (segid B and resid   21 and  name HN   )(segid B and resid   20 and  name HG#  ) 4.0 1.7 2.0
assign (segid B and resid   21 and  name HN   )(segid B and resid   20 and  name HD#  ) 4.0 1.7 2.0

!Lys-15 CaH
assign (segid B and resid   15 and  name HA   )(segid B and resid   16 and  name HG#  ) 4.0 1.7 2.0 

!His-18 CaH
assign (segid B and resid   18 and  name HA   )(segid B and resid   19 and  name HG#  ) 4.0 1.7 2.0 

!Pro-19 CaH
assign (segid B and resid   19 and  name HA   )(segid B and resid   22 and  name HG1# ) 3.0 1.2 1.3

!Arg-26 CaH
assign (segid B and resid   26 and  name HA   )(segid B and resid   25 and  name HD1# ) 4.0 1.7 2.5
assign (segid B and resid   26 and  name HA   )(segid B and resid   27 and  name HB   ) 4.0 1.7 1.0
assign (segid B and resid   26 and  name HA   )(segid B and resid   27 and  name HG2# ) 4.0 1.7 2.5 

!Val-27 CaH
assign (segid B and resid   27 and  name HA   )(segid B and resid   26 and  name HB#  ) 4.0 1.7 3.0
assign (segid B and resid   27 and  name HA   )(segid B and resid   28 and  name HB   ) 4.0 1.7 1.0

!Ile-40 CaH
assign (segid B and resid   40 and  name HA   )(segid B and resid   41 and  name HG1# ) 4.0 1.7 2.5 

!Val-41 CaH
assign (segid B and resid   41 and  name HA   )(segid B and resid   40 and  name HG2# ) 4.0 1.7 2.5 
assign (segid B and resid   41 and  name HA   )(segid B and resid   42 and  name HB#  ) 4.0 1.7 1.0 

!Cys-50 CaH
assign (segid B and resid   50 and  name HA   )(segid B and resid   51 and  name HB2  ) 4.0 1.7 1.0
assign (segid B and resid   50 and  name HA   )(segid B and resid   51 and  name HD2# ) 4.0 1.7 2.5

!Val-58 CaH
assign (segid B and resid   58 and  name HA   )(segid B and resid   61 and  name HG2# ) 2.5 0.7 1.7
assign (segid B and resid   58 and  name HA   )(segid B and resid   61 and  name HG1# ) 3.0 1.2 1.8
assign (segid B and resid   58 and  name HA   )(segid B and resid   62 and  name HG*  ) 4.0 1.7 3.4 

!Arg-67 CaH
assign (segid B and resid   67 and  name HA   )(segid B and resid   70 and  name HG#  ) 4.0 1.7 2.0 

!Thr-12 HG2#
assign (segid B and resid   12 and  name HG2# )(segid B and resid    9 and  name HB#  ) 4.0 1.0 2.5 
assign (segid B and resid   12 and  name HG2# )(segid B and resid    9 and  name HB2  ) 4.0 1.0 2.5 
assign (segid B and resid   12 and  name HG2# )(segid B and resid   11 and  name HA   ) 4.0 1.0 2.5 
assign (segid B and resid   12 and  name HG2# )(segid B and resid   13 and  name HN   ) 4.0 1.7 2.5

!Ile-22 HG2#
assign (segid B and resid   22 and  name HG2# )(segid B and resid   19 and  name HA   ) 4.0 3.7 2.5 
assign (segid B and resid   22 and  name HG2# )(segid B and resid   25 and  name HB2  ) 4.0 1.7 1.0 
assign (segid B and resid   22 and  name HG2# )(segid B and resid   25 and  name HG   ) 4.0 1.7 2.5 

!Ile-22 HD#
assign (segid B and resid   22 and  name HD#  )(segid B and resid   21 and  name HB2  ) 3.0 1.2 1.8
assign (segid B and resid   22 and  name HD#  )(segid B and resid   21 and  name HB1  ) 4.0 1.7 2.5

!Ile-28 HG2#
assign (segid B and resid   28 and  name HG2# )(segid B and resid   29 and  name HN   ) 3.0 1.2 1.8

!Ile-39 HG2#
assign (segid B and resid   39 and  name HG2# )(segid B and resid   40 and  name HN   ) 3.0 1.2 1.8


!Ile-40 HG2#
assign (segid B and resid   40 and  name HG2# )(segid B and resid   41 and  name HN   ) 3.0 1.2 1.8

!Leu-43 HD#
assign (segid B and resid   43 and  name HD2#  )(segid B and resid   44 and  name HN   ) 4.0 1.7 2.5
assign (segid B and resid   43 and  name HD2#  )(segid B and resid   47 and  name HN   ) 4.0 1.7 2.5
assign (segid B and resid   43 and  name HD2#  )(segid B and resid   47 and  name HE   ) 4.0 1.7 2.5

!Leu-49 HD#
assign (segid B and resid   49 and  name HD1#  )(segid B and resid   50 and  name HN   ) 4.0 1.7 2.5
assign (segid B and resid   49 and  name HD2#  )(segid B and resid   50 and  name HN   ) 4.0 1.7 3.5

!Val-58 HG1#
assign (segid B and resid   58 and  name HG1# )(segid B and resid   59 and  name HA   ) 4.0 1.7 2.5 
assign (segid B and resid   58 and  name HG1# )(segid B and resid   59 and  name HB2  ) 4.0 1.7 2.5
assign (segid B and resid   58 and  name HG1# )(segid B and resid   59 and  name HN   ) 3.0 1.2 1.8
assign (segid B and resid   58 and  name HG1# )(segid B and resid   62 and  name HG2# ) 2.5 0.7 2.7

!Val-58 HG2#
assign (segid B and resid   58 and  name HG1# )(segid B and resid   55 and  name HN   ) 3.0 1.2 1.8
assign (segid B and resid   58 and  name HG2# )(segid B and resid   55 and  name HB2  ) 3.0 1.2 1.8
assign (segid B and resid   58 and  name HG2# )(segid B and resid   55 and  name HB1  ) 4.0 1.7 2.5
assign (segid B and resid   58 and  name HG2# )(segid B and resid   55 and  name HG#  ) 4.0 1.7 3.5





!A.2.1 Long range NOEs (|i-j|>5): intramonomer A

!CaH(i)-CaH(j)
assign (segid A and resid 6 and name ha) (segid A and resid 33 and name ha) 4.0 1.7 1.0
assign (segid A and resid 22 and name ha) (segid A and resid 43 and name ha) 2.5 0.7 0.2
assign (segid A and resid 25 and name ha) (segid A and resid 41 and name ha) 2.5 0.7 0.2
assign (segid A and resid 27 and name ha) (segid A and resid 39 and name ha) 2.5 0.7 0.2
assign (segid A and resid 29 and name ha) (segid A and resid 37 and name ha) 3.0 1.2 0.3
assign (segid A and resid 36 and name ha) (segid A and resid 30 and name ha) 4.0 1.2 2.0
assign (segid A and resid 40 and name ha) (segid A and resid 50 and name ha) 2.5 0.7 0.2
assign (segid A and resid 42 and name ha) (segid A and resid 48 and name ha) 2.5 0.7 0.2


!NH(i)-NH(j)
assign (segid A and resid 13 and name hn) (segid A and resid 50 and name hn) 4.0 1.7 1.0
assign (segid A and resid 23 and name hn) (segid A and resid 44 and name hn) 4.0 1.7 1.0
assign (segid A and resid 24 and name hn) (segid A and resid 42 and name hn) 3.0 1.2 0.5
assign (segid A and resid 24 and name hn) (segid A and resid 44 and name hn) 4.0 1.7 1.0
assign (segid A and resid 26 and name hn) (segid A and resid 40 and name hn) 4.0 1.7 1.0
assign (segid A and resid 28 and name hn) (segid A and resid 38 and name hn) 3.0 1.2 0.5
assign (segid A and resid 28 and name hn) (segid A and resid 40 and name hn) 3.0 1.2 0.5
assign (segid A and resid 30 and name hn) (segid A and resid 37 and name hn) 4.0 1.7 1.0
assign (segid A and resid 30 and name hn) (segid A and resid 38 and name hn) 4.0 1.7 1.0
assign (segid A and resid 39 and name hn) (segid A and resid 51 and name hn) 4.0 1.7 1.0
assign (segid A and resid 41 and name hn) (segid A and resid 49 and name hn) 3.0 1.2 0.5
assign (segid A and resid 41 and name hn) (segid A and resid 51 and name hn) 4.0 1.7 1.0

!CbH(i)-CbH(j)
assign (segid A and resid 9 and name hb1) (segid A and resid 50 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 9 and name hb2) (segid A and resid 50 and name hb1) 4.0 1.2 2.0
assign (segid A and resid 9 and name hb2) (segid A and resid 50 and name hb2) 4.0 1.2 2.0
assign (segid A and resid 7 and name hb1) (segid A and resid 34 and name hb2) 4.0 1.2 2.0
assign (segid A and resid 12 and name hb) (segid A and resid 52 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 7 and name hb1) (segid A and resid 34 and name hb1) 4.0 0.5 20.0
assign (segid A and resid 7 and name hb2) (segid A and resid 34 and name hb1) 4.0 0.5 20.0
assign (segid A and resid 7 and name hb2) (segid A and resid 34 and name hb2) 4.0 0.5 20.0

!CaH(i)-NH(j)
assign (segid A and resid 21 and name ha) (segid A and resid 44 and name hn) 4.0 1.7 1.0
assign (segid A and resid 22 and name ha) (segid A and resid 42 and name hn) 4.0 1.7 1.0
assign (segid A and resid 22 and name ha) (segid A and resid 44 and name hn) 4.0 1.7 1.0
assign (segid A and resid 25 and name ha) (segid A and resid 42 and name hn) 4.0 1.7 1.0
assign (segid A and resid 27 and name ha) (segid A and resid 40 and name hn) 4.0 1.7 1.0
assign (segid A and resid 29 and name ha) (segid A and resid 38 and name hn) 4.0 1.7 1.0
assign (segid A and resid 30 and name ha) (segid A and resid 36 and name hn) 4.0 1.7 1.0
assign (segid A and resid 30 and name ha) (segid A and resid 37 and name hn) 4.0 1.7 1.0
assign (segid A and resid 34 and name ha) (segid A and resid 7 and name hn) 4.0 1.7 1.0
assign (segid A and resid 37 and name ha) (segid A and resid 30 and name hn) 3.0 1.2 0.5
assign (segid A and resid 39 and name ha) (segid A and resid 28 and name hn) 4.0 1.7 1.0
assign (segid A and resid 40 and name ha) (segid A and resid 51 and name hn) 3.0 1.2 0.5
assign (segid A and resid 40 and name ha) (segid A and resid 49 and name hn) 4.0 2.2 2.0
assign (segid A and resid 41 and name ha) (segid A and resid 26 and name hn) 3.0 1.2 0.5
assign (segid A and resid 42 and name ha) (segid A and resid 49 and name hn) 3.0 1.2 0.5
assign (segid A and resid 43 and name ha) (segid A and resid 23 and name hn) 3.0 1.2 0.5
assign (segid A and resid 43 and name ha) (segid A and resid 24 and name hn) 4.0 1.7 1.0
assign (segid A and resid 48 and name ha) (segid A and resid 43 and name hn) 3.0 1.2 0.5
assign (segid A and resid 50 and name ha) (segid A and resid 41 and name hn) 3.0 1.2 0.5
assign (segid A and resid 50 and name ha) (segid A and resid 40 and name hn) 4.0 2.2 2.0

!CbH(i)-NH(j)
assign (segid A and resid 12 and name hb) (segid A and resid 52 and name hn) 3.0 1.2 0.5
assign (segid A and resid 21 and name hb1) (segid A and resid 44 and name hn) 4.0 1.7 1.0
assign (segid A and resid 21 and name hb2) (segid A and resid 44 and name hn) 4.0 1.2 2.0
assign (segid A and resid 30 and name hb1) (segid A and resid 37 and name hn) 4.0 1.7 1.0
assign (segid A and resid 33 and name hb#) (segid A and resid 6 and name hn) 4.0 1.2 3.0
assign (segid A and resid 34 and name hb2) (segid A and resid 7 and name hn) 4.0 1.7 1.0
assign (segid A and resid 37 and name hb) (segid A and resid 30 and name hn) 4.0 1.7 1.0

!CgH(i)-NH(j)
assign (segid A and resid 12 and name hg2#) (segid A and resid 52 and name hn) 3.0 1.2 1.8
assign (segid A and resid 22 and name hg2#) (segid A and resid 42 and name hn) 4.0 1.7 2.5 
assign (segid A and resid 58 and name hg2#) (segid A and resid 52 and name hn) 3.0 1.2 1.8

!CaH(i)-CbH(j)
assign (segid A and resid 6 and name ha) (segid A and resid 33 and name hb#) 4.0 1.7 2.0
assign (segid A and resid 7 and name ha) (segid A and resid 34 and name hb2) 2.5 0.7 0.2
assign (segid A and resid 7 and name ha) (segid A and resid 34 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 18 and name ha) (segid A and resid 61 and name hb) 3.0 1.2 0.3
assign (segid A and resid 19 and name ha) (segid A and resid 61 and name hb) 4.0 1.7 1.0
assign (segid A and resid 36 and name ha) (segid A and resid 30 and name hb1) 3.0 1.2 0.3
assign (segid A and resid 42 and name ha) (segid A and resid 48 and name hb#) 4.0 1.7 2.0
assign (segid A and resid 43 and name ha) (segid A and resid 21 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 51 and name ha) (segid A and resid 12 and name hb) 3.0 1.2 0.3
assign (segid A and resid 61 and name ha) (segid A and resid 19 and name hb1) 4.0 1.7 1.0


!CaH(i)-CgH(j)
assign (segid A and resid 18 and name ha) (segid A and resid 61 and name hg1#) 4.0 1.7 3.5
assign (segid A and resid 18 and name ha) (segid A and resid 61 and name hg2#) 4.0 1.7 3.5
assign (segid A and resid 19 and name ha) (segid A and resid 61 and name hg1#) 4.0 1.7 2.5
assign (segid A and resid 19 and name ha) (segid A and resid 61 and name hg2#) 4.0 1.7 2.5
assign (segid A and resid 27 and name ha) (segid A and resid 40 and name hg1#) 4.0 1.7 2.0
assign (segid A and resid 29 and name ha) (segid A and resid 37 and name hg2#) 3.0 1.2 1.8
assign (segid A and resid 39 and name ha) (segid A and resid 27 and name hg2#) 3.0 1.2 1.8
assign (segid A and resid 39 and name ha) (segid A and resid 27 and name hg1#) 4.0 1.7 2.5
assign (segid A and resid 43 and name ha) (segid A and resid 22 and name hg2#) 4.0 1.7 2.5
assign (segid A and resid 48 and name ha) (segid A and resid 42 and name hg#) 3.0 1.2 1.3
assign (segid A and resid 50 and name ha) (segid A and resid 40 and name hg1#) 4.0 1.7 2.0
assign (segid A and resid 51 and name ha) (segid A and resid 12 and name hg2#) 4.0 1.7 2.5
assign (segid A and resid 61 and name ha) (segid A and resid 19 and name hg#) 3.0 1.2 1.3

!CaH(i)-CdH(j)
assign (segid A and resid 41 and name ha) (segid A and resid 25 and name hd1#) 3.0 1.2 1.8
assign (segid A and resid 61 and name ha) (segid A and resid 19 and name hd1) 4.0 1.7 1.0
assign (segid A and resid 61 and name ha) (segid A and resid 19 and name hd2) 4.0 1.7 1.0
assign (segid A and resid 58 and name ha) (segid A and resid 51 and name hd1#) 4.0 1.7 2.5


!Tyr-13 HD#
assign (segid A and resid 13 and name hd1) (segid A and resid 49 and name hd2#) 3.0 1.2 1.8
assign (segid A and resid 13 and name hd1) (segid A and resid 49 and name hd1#) 4.0 1.7 2.5

!Tyr-13 HE#
assign (segid A and resid 13 and name he1) (segid A and resid 49 and name hd2#) 4.0 1.2 2.5
assign (segid A and resid 13 and name he1) (segid A and resid 49 and name hd1#) 4.0 1.7 2.5


!Phe-17 HE#
assign (segid A and resid 17 and name he2) (segid A and resid 43 and name hd*) 4.0 1.7 3.3
assign (segid A and resid 17 and name he#) (segid A and resid 49 and name hd1#) 4.0 1.7 4.5
assign (segid A and resid 17 and name he1) (segid A and resid 51 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 17 and name he1) (segid A and resid 61 and name hg1#) 4.0 1.2 3.5
assign (segid A and resid 17 and name he1) (segid A and resid 61 and name hg2#) 4.0 1.2 3.5


!Phe-17 HD#
assign (segid A and resid 17 and name hd#) (segid A and resid 49 and name hd2#) 4.0 1.7 4.5
assign (segid A and resid 17 and name hd1) (segid A and resid 61 and name hg1#) 4.0 1.2 3.5
assign (segid A and resid 17 and name hd1) (segid A and resid 61 and name hg2#) 4.0 1.2 3.5

!Phe-17 HZ
assign (segid A and resid 17 and name hz) (segid A and resid 43 and name hd*) 4.0 1.7 3.3


!Phe 21#
assign (segid A and resid 21 and name hd#) (segid A and resid 43 and name hd2#) 4.0 1.7 4.5
assign (segid A and resid 21 and name hd#) (segid A and resid 43 and name hd1#) 4.0 1.7 5.5

!His-33 HD2
assign (segid A and resid 33 and name hd2) (segid A and resid 6 and name ha) 4.0 1.0 2.0
assign (segid A and resid 33 and name hd2) (segid A and resid 7 and name ha) 4.0 1.7 1.0

!Trp-57 HD1
assign (segid A and resid 57 and name hd1) (segid A and resid 16 and name hg2) 4.0 1.7 1.0
assign (segid A and resid 57 and name hd1) (segid A and resid 16 and name hg1) 4.0 1.2 2.0
assign (segid A and resid 57 and name hd1) (segid A and resid 16 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 57 and name hd1) (segid A and resid 16 and name ha) 4.0 1.2 2.0

!Trp-57 HE1
assign (segid A and resid 57 and name he1) (segid A and resid 14 and name ha) 4.0 1.7 1.0
assign (segid A and resid 57 and name he1) (segid A and resid 14 and name hb#) 4.0 1.0 3.0
assign (segid A and resid 57 and name he1) (segid A and resid 16 and name hg#) 4.0 1.7 2.0

!Trp-57 HH2
assign (segid A and resid 57 and name hh2) (segid A and resid 13 and name hb#) 4.0 1.0 3.0
assign (segid A and resid 57 and name hh2) (segid A and resid 13 and name hd2) 4.0 1.7 1.0
assign (segid A and resid 57 and name hh2) (segid A and resid 14 and name ha) 4.0 1.7 1.0
assign (segid A and resid 57 and name hh2) (segid A and resid 16 and name ha) 4.0 1.7 1.0
assign (segid A and resid 57 and name hh2) (segid A and resid 17 and name he1) 3.0 1.2 0.3
assign (segid A and resid 57 and name hh2) (segid A and resid 17 and name hd1) 4.0 1.7 1.0
assign (segid A and resid 57 and name hh2) (segid A and resid 17 and name hn) 4.0 1.0 2.0
assign (segid A and resid 57 and name hh2) (segid A and resid 51 and name hd2#) 3.0 1.2 1.8
assign (segid A and resid 57 and name hh2) (segid A and resid 51 and name hd1#) 4.0 1.7 2.5


!Trp-57 HZ3
assign (segid A and resid 57 and name hz3) (segid A and resid 16 and name ha) 3.0 1.2 0.5
assign (segid A and resid 57 and name hz3) (segid A and resid 17 and name hn) 3.0 1.2 0.3
assign (segid A and resid 57 and name hz3) (segid A and resid 17 and name hd1) 4.0 1.7 1.0
assign (segid A and resid 57 and name hz3) (segid A and resid 17 and name he1) 4.0 1.7 1.0
assign (segid A and resid 57 and name hz3) (segid A and resid 17 and name hz) 4.0 1.2 2.0
assign (segid A and resid 57 and name hz3) (segid A and resid 51 and name hd1#) 3.0 1.2 1.8
assign (segid A and resid 57 and name hz3) (segid A and resid 51 and name hd2#) 4.0 1.7 2.5

!Trp-57 HE3
assign (segid A and resid 57 and name he3) (segid A and resid 16 and name ha) 3.0 1.2 0.3
assign (segid A and resid 57 and name he3) (segid A and resid 16 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 57 and name he3) (segid A and resid 17 and name hn) 4.0 1.7 1.0

!Trp-57 HZ2
assign (segid A and resid 57 and name hz2) (segid A and resid 15 and name hn) 4.0 1.2 2.0

!Phe-65 HZ
assign (segid A and resid 65 and name hz) (segid A and resid 22 and name hg2#) 4.0 1.7 2.5
assign (segid A and resid 65 and name hz) (segid A and resid 23 and name ha) 4.0 1.7 1.0
assign (segid A and resid 65 and name hz) (segid A and resid 24 and name ha) 3.0 1.2 0.3
assign (segid A and resid 65 and name hz) (segid A and resid 25 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 65 and name hz) (segid A and resid 25 and name hb1) 4.0 1.2 2.0

!Phe-65 HD#
assign (segid A and resid 65 and name hd1) (segid A and resid 19 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 65 and name hd1) (segid A and resid 22 and name hn) 4.0 1.2 2.0
assign (segid A and resid 65 and name hd1) (segid A and resid 23 and name ha) 4.0 1.7 1.0
assign (segid A and resid 65 and name hd2) (segid A and resid 25 and name hb2) 3.0 1.2 0.3
assign (segid A and resid 65 and name hd2) (segid A and resid 25 and name hb1) 4.0 1.2 2.0
assign (segid A and resid 65 and name hd2) (segid A and resid 25 and name hg) 4.0 1.2 1.0
assign (segid A and resid 65 and name hd2) (segid A and resid 25 and name hd1#) 3.0 1.2 1.8
assign (segid A and resid 65 and name hd2) (segid A and resid 25 and name hd2#) 4.0 1.2 2.5

!Phe-65 HE#
assign (segid A and resid 65 and name he1) (segid A and resid 23 and name ha) 3.0 1.2 0.3
assign (segid A and resid 65 and name he1) (segid A and resid 24 and name ha) 4.0 1.7 1.0
assign (segid A and resid 65 and name he2) (segid A and resid 24 and name ha) 4.0 1.7 1.0
assign (segid A and resid 65 and name he2) (segid A and resid 25 and name hn) 4.0 1.7 1.0
assign (segid A and resid 65 and name he2) (segid A and resid 25 and name hb2) 2.5 0.7 0.7
assign (segid A and resid 65 and name he2) (segid A and resid 25 and name hb1) 3.0 1.2 0.3
assign (segid A and resid 65 and name he2) (segid A and resid 25 and name hd1#) 3.0 1.2 1.8



!Gln-8 HE21
assign (segid A and resid 8 and name he21) (segid A and resid 40 and name hd#) 4.0 1.7 2.5


!Thr-12 HG2#
assign (segid A and resid 12 and name hg2#) (segid A and resid 50 and name ha) 4.0 2.2 3.5
assign (segid A and resid 12 and name hg2#) (segid A and resid 50 and name hb1) 3.0 1.2 1.8
assign (segid A and resid 12 and name hg2#) (segid A and resid 50 and name hb2) 4.0 1.7 2.0
assign (segid A and resid 12 and name hg2#) (segid A and resid 51 and name ha) 3.0 1.2 1.8
assign (segid A and resid 12 and name hg2#) (segid A and resid 52 and name ha) 3.0 1.2 1.8
assign (segid A and resid 12 and name hg2#) (segid A and resid 52 and name hb2) 3.0 1.2 1.8
assign (segid A and resid 12 and name hg2#) (segid A and resid 52 and name hb1) 4.0 1.7 2.5

!Pro-19 CdH
assign (segid A and resid 19 and name hd1) (segid A and resid 61 and name hg1#) 4.0 1.7 2.5
assign (segid A and resid 19 and name hd2) (segid A and resid 61 and name hg1#) 4.0 1.7 2.5

!Ile-22 HG2#
assign (segid A and resid 22 and name hg2#) (segid A and resid 41 and name ha) 4.0 1.7 2.5
assign (segid A and resid 22 and name hg2#) (segid A and resid 41 and name hg1#) 4.0 1.7 4.0
assign (segid A and resid 22 and name hg2#) (segid A and resid 41 and name hg2#) 2.5 0.7 2.2
assign (segid A and resid 22 and name hg2#) (segid A and resid 43 and name ha) 4.0 1.7 2.5
assign (segid A and resid 22 and name hg2#) (segid A and resid 43 and name hd1#) 4.0 1.7 4.0 
assign (segid A and resid 22 and name hg2#) (segid A and resid 62 and name hg*) 3.0 1.2 4.3
assign (segid A and resid 22 and name hg2#) (segid A and resid 65 and name hb1) 4.0 1.7 2.5
assign (segid A and resid 22 and name hg2#) (segid A and resid 65 and name hb2) 4.0 1.7 2.5


!Ile-22 HD#
assign (segid A and resid 22 and name hd#) (segid A and resid 41 and name hg2#) 2.5 0.7 3.2
assign (segid A and resid 22 and name hd#) (segid A and resid 42 and name hn) 4.0 1.7 3.5

!Ile-39 HG2#
assign (segid A and resid 39 and name hg2#) (segid A and resid 27 and name ha) 4.0 1.7 2.5
assign (segid A and resid 39 and name hg2#) (segid A and resid 51 and name hb2) 2.5 0.7 1.7
assign (segid A and resid 39 and name hg2#) (segid A and resid 27 and name hg2#) 3.0 1.2 3.3
assign (segid A and resid 39 and name hg2#) (segid A and resid 51 and name hn) 4.0 1.7 2.5

!Ile-39 HD#
assign (segid A and resid 39 and name hd#) (segid A and resid 27 and name hg1#) 3.0 1.2 3.3
assign (segid A and resid 39 and name hd#) (segid A and resid 27 and name hg2#) 3.0 1.2 3.3


!Ile-43 HD#
assign (segid A and resid 43 and name hd2#) (segid A and resid 21 and name hb2) 4.0 1.7 2.5
assign (segid A and resid 43 and name hd2#) (segid A and resid 21 and name hb1) 4.0 1.7 2.5

!Val-58 HG1#
assign (segid A and resid 58 and name hg1#) (segid A and resid 39 and name hg2#) 3.0 1.2 3.3
assign (segid A and resid 58 and name hg1#) (segid A and resid 51 and name hd1#) 3.0 1.2 3.3
assign (segid A and resid 58 and name hg1#) (segid A and resid 51 and name ha) 4.0 1.7 2.5
assign (segid A and resid 58 and name hg1#) (segid A and resid 51 and name hb2) 3.0 1.2 1.8
assign (segid A and resid 58 and name hg1#) (segid A and resid 51 and name hb1) 3.0 1.2 1.8


!Val-58 HG2#
assign (segid A and resid 58 and name hg1#) (segid A and resid 51 and name hd1#) 3.0 1.2 3.3
assign (segid A and resid 58 and name hg2#) (segid A and resid 51 and name ha) 4.0 1.7 2.5
assign (segid A and resid 58 and name hg2#) (segid A and resid 51 and name hb1) 3.0 1.2 1.8




!A.2.2 Long range NOEs (|i-j|>5): intramonomer B

!CaH(i)-CaH(j)
assign (segid B and resid 6 and name ha) (segid B and resid 33 and name ha) 4.0 1.7 1.0
assign (segid B and resid 22 and name ha) (segid B and resid 43 and name ha) 2.5 0.7 0.2
assign (segid B and resid 25 and name ha) (segid B and resid 41 and name ha) 2.5 0.7 0.2
assign (segid B and resid 27 and name ha) (segid B and resid 39 and name ha) 2.5 0.7 0.2
assign (segid B and resid 29 and name ha) (segid B and resid 37 and name ha) 3.0 1.2 0.3
assign (segid B and resid 36 and name ha) (segid B and resid 30 and name ha) 4.0 1.2 2.0
assign (segid B and resid 40 and name ha) (segid B and resid 50 and name ha) 2.5 0.7 0.2
assign (segid B and resid 42 and name ha) (segid B and resid 48 and name ha) 2.5 0.7 0.2


!NH(i)-NH(j)
assign (segid B and resid 13 and name hn) (segid B and resid 50 and name hn) 4.0 1.7 1.0
assign (segid B and resid 23 and name hn) (segid B and resid 44 and name hn) 4.0 1.7 1.0
assign (segid B and resid 24 and name hn) (segid B and resid 42 and name hn) 3.0 1.2 0.5
assign (segid B and resid 24 and name hn) (segid B and resid 44 and name hn) 4.0 1.7 1.0
assign (segid B and resid 26 and name hn) (segid B and resid 40 and name hn) 4.0 1.7 1.0
assign (segid B and resid 28 and name hn) (segid B and resid 38 and name hn) 3.0 1.2 0.5
assign (segid B and resid 28 and name hn) (segid B and resid 40 and name hn) 3.0 1.2 0.5
assign (segid B and resid 30 and name hn) (segid B and resid 37 and name hn) 4.0 1.7 1.0
assign (segid B and resid 30 and name hn) (segid B and resid 38 and name hn) 4.0 1.7 1.0
assign (segid B and resid 39 and name hn) (segid B and resid 51 and name hn) 4.0 1.7 1.0
assign (segid B and resid 41 and name hn) (segid B and resid 49 and name hn) 3.0 1.2 0.5
assign (segid B and resid 41 and name hn) (segid B and resid 51 and name hn) 4.0 1.7 1.0

!CbH(i)-CbH(j)
assign (segid B and resid 9 and name hb1) (segid B and resid 50 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 9 and name hb2) (segid B and resid 50 and name hb1) 4.0 1.2 2.0
assign (segid B and resid 9 and name hb2) (segid B and resid 50 and name hb2) 4.0 1.2 2.0
assign (segid B and resid 7 and name hb1) (segid B and resid 34 and name hb2) 4.0 1.2 2.0
assign (segid B and resid 12 and name hb) (segid B and resid 52 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 7 and name hb1) (segid B and resid 34 and name hb1) 4.0 0.5 20.0
assign (segid B and resid 7 and name hb2) (segid B and resid 34 and name hb1) 4.0 0.5 20.0
assign (segid B and resid 7 and name hb2) (segid B and resid 34 and name hb2) 4.0 0.5 20.0

!CaH(i)-NH(j)
assign (segid B and resid 21 and name ha) (segid B and resid 44 and name hn) 4.0 1.7 1.0
assign (segid B and resid 22 and name ha) (segid B and resid 42 and name hn) 4.0 1.7 1.0
assign (segid B and resid 22 and name ha) (segid B and resid 44 and name hn) 4.0 1.7 1.0
assign (segid B and resid 25 and name ha) (segid B and resid 42 and name hn) 4.0 1.7 1.0
assign (segid B and resid 27 and name ha) (segid B and resid 40 and name hn) 4.0 1.7 1.0
assign (segid B and resid 29 and name ha) (segid B and resid 38 and name hn) 4.0 1.7 1.0
assign (segid B and resid 30 and name ha) (segid B and resid 36 and name hn) 4.0 1.7 1.0
assign (segid B and resid 30 and name ha) (segid B and resid 37 and name hn) 4.0 1.7 1.0
assign (segid B and resid 34 and name ha) (segid B and resid 7 and name hn) 4.0 1.7 1.0
assign (segid B and resid 37 and name ha) (segid B and resid 30 and name hn) 3.0 1.2 0.5
assign (segid B and resid 39 and name ha) (segid B and resid 28 and name hn) 4.0 1.7 1.0
assign (segid B and resid 40 and name ha) (segid B and resid 51 and name hn) 3.0 1.2 0.5
assign (segid B and resid 40 and name ha) (segid B and resid 49 and name hn) 4.0 2.2 2.0
assign (segid B and resid 41 and name ha) (segid B and resid 26 and name hn) 3.0 1.2 0.5
assign (segid B and resid 42 and name ha) (segid B and resid 49 and name hn) 3.0 1.2 0.5
assign (segid B and resid 43 and name ha) (segid B and resid 23 and name hn) 3.0 1.2 0.5
assign (segid B and resid 43 and name ha) (segid B and resid 24 and name hn) 4.0 1.7 1.0
assign (segid B and resid 48 and name ha) (segid B and resid 43 and name hn) 3.0 1.2 0.5
assign (segid B and resid 50 and name ha) (segid B and resid 41 and name hn) 3.0 1.2 0.5
assign (segid B and resid 50 and name ha) (segid B and resid 40 and name hn) 4.0 2.2 2.0

!CbH(i)-NH(j)
assign (segid B and resid 12 and name hb) (segid B and resid 52 and name hn) 3.0 1.2 0.5
assign (segid B and resid 21 and name hb1) (segid B and resid 44 and name hn) 4.0 1.7 1.0
assign (segid B and resid 21 and name hb2) (segid B and resid 44 and name hn) 4.0 1.2 2.0
assign (segid B and resid 30 and name hb1) (segid B and resid 37 and name hn) 4.0 1.7 1.0
assign (segid B and resid 33 and name hb#) (segid B and resid 6 and name hn) 4.0 1.2 3.0
assign (segid B and resid 34 and name hb2) (segid B and resid 7 and name hn) 4.0 1.7 1.0
assign (segid B and resid 37 and name hb) (segid B and resid 30 and name hn) 4.0 1.7 1.0

!CgH(i)-NH(j)
assign (segid B and resid 12 and name hg2#) (segid B and resid 52 and name hn) 3.0 1.2 1.8
assign (segid B and resid 22 and name hg2#) (segid B and resid 42 and name hn) 4.0 1.7 2.5 
assign (segid B and resid 58 and name hg2#) (segid B and resid 52 and name hn) 3.0 1.2 1.8

!CaH(i)-CbH(j)
assign (segid B and resid 6 and name ha) (segid B and resid 33 and name hb#) 4.0 1.7 2.0
assign (segid B and resid 7 and name ha) (segid B and resid 34 and name hb2) 2.5 0.7 0.2
assign (segid B and resid 7 and name ha) (segid B and resid 34 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 18 and name ha) (segid B and resid 61 and name hb) 3.0 1.2 0.3
assign (segid B and resid 19 and name ha) (segid B and resid 61 and name hb) 4.0 1.7 1.0
assign (segid B and resid 36 and name ha) (segid B and resid 30 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 42 and name ha) (segid B and resid 48 and name hb#) 4.0 1.7 2.0
assign (segid B and resid 43 and name ha) (segid B and resid 21 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 51 and name ha) (segid B and resid 12 and name hb) 3.0 1.2 0.3
assign (segid B and resid 61 and name ha) (segid B and resid 19 and name hb1) 4.0 1.7 1.0


!CaH(i)-CgH(j)
assign (segid B and resid 18 and name ha) (segid B and resid 61 and name hg1#) 4.0 1.7 3.5
assign (segid B and resid 18 and name ha) (segid B and resid 61 and name hg2#) 4.0 1.7 3.5
assign (segid B and resid 19 and name ha) (segid B and resid 61 and name hg1#) 4.0 1.7 2.5
assign (segid B and resid 19 and name ha) (segid B and resid 61 and name hg2#) 4.0 1.7 2.5
assign (segid B and resid 27 and name ha) (segid B and resid 40 and name hg1#) 4.0 1.7 2.0
assign (segid B and resid 29 and name ha) (segid B and resid 37 and name hg2#) 3.0 1.2 1.8
assign (segid B and resid 39 and name ha) (segid B and resid 27 and name hg2#) 3.0 1.2 1.8
assign (segid B and resid 39 and name ha) (segid B and resid 27 and name hg1#) 4.0 1.7 2.5
assign (segid B and resid 43 and name ha) (segid B and resid 22 and name hg2#) 4.0 1.7 2.5
assign (segid B and resid 48 and name ha) (segid B and resid 42 and name hg#) 3.0 1.2 1.3
assign (segid B and resid 50 and name ha) (segid B and resid 40 and name hg1#) 4.0 1.7 2.0
assign (segid B and resid 51 and name ha) (segid B and resid 12 and name hg2#) 4.0 1.7 2.5
assign (segid B and resid 61 and name ha) (segid B and resid 19 and name hg#) 3.0 1.2 1.3

!CaH(i)-CdH(j)
assign (segid B and resid 41 and name ha) (segid B and resid 25 and name hd1#) 3.0 1.2 1.8
assign (segid B and resid 61 and name ha) (segid B and resid 19 and name hd1) 4.0 1.7 1.0
assign (segid B and resid 61 and name ha) (segid B and resid 19 and name hd2) 4.0 1.7 1.0
assign (segid B and resid 58 and name ha) (segid B and resid 51 and name hd1#) 4.0 1.7 2.5


!Tyr-13 HD#
assign (segid B and resid 13 and name hd1) (segid B and resid 49 and name hd2#) 3.0 1.2 1.8
assign (segid B and resid 13 and name hd1) (segid B and resid 49 and name hd1#) 4.0 1.7 2.5

!Tyr-13 HE#
assign (segid B and resid 13 and name he1) (segid B and resid 49 and name hd2#) 4.0 1.2 2.5
assign (segid B and resid 13 and name he1) (segid B and resid 49 and name hd1#) 4.0 1.7 2.5


!Phe-17 HE#
assign (segid B and resid 17 and name he2) (segid B and resid 43 and name hd*) 4.0 1.7 3.3
assign (segid B and resid 17 and name he#) (segid B and resid 49 and name hd1#) 4.0 1.7 4.5
assign (segid B and resid 17 and name he1) (segid B and resid 51 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 17 and name he1) (segid B and resid 61 and name hg1#) 4.0 1.2 3.5
assign (segid B and resid 17 and name he1) (segid B and resid 61 and name hg2#) 4.0 1.2 3.5


!Phe-17 HD#
assign (segid B and resid 17 and name hd#) (segid B and resid 49 and name hd2#) 4.0 1.7 4.5
assign (segid B and resid 17 and name hd1) (segid B and resid 61 and name hg1#) 4.0 1.2 3.5
assign (segid B and resid 17 and name hd1) (segid B and resid 61 and name hg2#) 4.0 1.2 3.5

!Phe-17 HZ
assign (segid B and resid 17 and name hz) (segid B and resid 43 and name hd*) 4.0 1.7 3.3


!Phe 21#
assign (segid B and resid 21 and name hd#) (segid B and resid 43 and name hd2#) 4.0 1.7 4.5
assign (segid B and resid 21 and name hd#) (segid B and resid 43 and name hd1#) 4.0 1.7 5.5

!His-33 HD2
assign (segid B and resid 33 and name hd2) (segid B and resid 6 and name ha) 4.0 1.0 2.0
assign (segid B and resid 33 and name hd2) (segid B and resid 7 and name ha) 4.0 1.7 1.0

!Trp-57 HD1
assign (segid B and resid 57 and name hd1) (segid B and resid 16 and name hg2) 4.0 1.7 1.0
assign (segid B and resid 57 and name hd1) (segid B and resid 16 and name hg1) 4.0 1.2 2.0
assign (segid B and resid 57 and name hd1) (segid B and resid 16 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 57 and name hd1) (segid B and resid 16 and name ha) 4.0 1.2 2.0

!Trp-57 HE1
assign (segid B and resid 57 and name he1) (segid B and resid 14 and name ha) 4.0 1.7 1.0
assign (segid B and resid 57 and name he1) (segid B and resid 14 and name hb#) 4.0 1.0 3.0
assign (segid B and resid 57 and name he1) (segid B and resid 16 and name hg#) 4.0 1.7 2.0

!Trp-57 HH2
assign (segid B and resid 57 and name hh2) (segid B and resid 13 and name hb#) 4.0 1.0 3.0
assign (segid B and resid 57 and name hh2) (segid B and resid 13 and name hd2) 4.0 1.7 1.0
assign (segid B and resid 57 and name hh2) (segid B and resid 14 and name ha) 4.0 1.7 1.0
assign (segid B and resid 57 and name hh2) (segid B and resid 16 and name ha) 4.0 1.7 1.0
assign (segid B and resid 57 and name hh2) (segid B and resid 17 and name he1) 3.0 1.2 0.3
assign (segid B and resid 57 and name hh2) (segid B and resid 17 and name hd1) 4.0 1.7 1.0
assign (segid B and resid 57 and name hh2) (segid B and resid 17 and name hn) 4.0 1.0 2.0
assign (segid B and resid 57 and name hh2) (segid B and resid 51 and name hd2#) 3.0 1.2 1.8
assign (segid B and resid 57 and name hh2) (segid B and resid 51 and name hd1#) 4.0 1.7 2.5


!Trp-57 HZ3
assign (segid B and resid 57 and name hz3) (segid B and resid 16 and name ha) 3.0 1.2 0.5
assign (segid B and resid 57 and name hz3) (segid B and resid 17 and name hn) 3.0 1.2 0.3
assign (segid B and resid 57 and name hz3) (segid B and resid 17 and name hd1) 4.0 1.7 1.0
assign (segid B and resid 57 and name hz3) (segid B and resid 17 and name he1) 4.0 1.7 1.0
assign (segid B and resid 57 and name hz3) (segid B and resid 17 and name hz) 4.0 1.2 2.0
assign (segid B and resid 57 and name hz3) (segid B and resid 51 and name hd1#) 3.0 1.2 1.8
assign (segid B and resid 57 and name hz3) (segid B and resid 51 and name hd2#) 4.0 1.7 2.5

!Trp-57 HE3
assign (segid B and resid 57 and name he3) (segid B and resid 16 and name ha) 3.0 1.2 0.3
assign (segid B and resid 57 and name he3) (segid B and resid 16 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 57 and name he3) (segid B and resid 17 and name hn) 4.0 1.7 1.0

!Trp-57 HZ2
assign (segid B and resid 57 and name hz2) (segid B and resid 15 and name hn) 4.0 1.2 2.0

!Phe-65 HZ
assign (segid B and resid 65 and name hz) (segid B and resid 22 and name hg2#) 4.0 1.7 2.5
assign (segid B and resid 65 and name hz) (segid B and resid 23 and name ha) 4.0 1.7 1.0
assign (segid B and resid 65 and name hz) (segid B and resid 24 and name ha) 3.0 1.2 0.3
assign (segid B and resid 65 and name hz) (segid B and resid 25 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 65 and name hz) (segid B and resid 25 and name hb1) 4.0 1.2 2.0

!Phe-65 HD#
assign (segid B and resid 65 and name hd1) (segid B and resid 19 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 65 and name hd1) (segid B and resid 22 and name hn) 4.0 1.2 2.0
assign (segid B and resid 65 and name hd1) (segid B and resid 23 and name ha) 4.0 1.7 1.0
assign (segid B and resid 65 and name hd2) (segid B and resid 25 and name hb2) 3.0 1.2 0.3
assign (segid B and resid 65 and name hd2) (segid B and resid 25 and name hb1) 4.0 1.2 2.0
assign (segid B and resid 65 and name hd2) (segid B and resid 25 and name hg) 4.0 1.2 1.0
assign (segid B and resid 65 and name hd2) (segid B and resid 25 and name hd1#) 3.0 1.2 1.8
assign (segid B and resid 65 and name hd2) (segid B and resid 25 and name hd2#) 4.0 1.2 2.5

!Phe-65 HE#
assign (segid B and resid 65 and name he1) (segid B and resid 23 and name ha) 3.0 1.2 0.3
assign (segid B and resid 65 and name he1) (segid B and resid 24 and name ha) 4.0 1.7 1.0
assign (segid B and resid 65 and name he2) (segid B and resid 24 and name ha) 4.0 1.7 1.0
assign (segid B and resid 65 and name he2) (segid B and resid 25 and name hn) 4.0 1.7 1.0
assign (segid B and resid 65 and name he2) (segid B and resid 25 and name hb2) 2.5 0.7 0.7
assign (segid B and resid 65 and name he2) (segid B and resid 25 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 65 and name he2) (segid B and resid 25 and name hd1#) 3.0 1.2 1.8



!Gln-8 HE21
assign (segid B and resid 8 and name he21) (segid B and resid 40 and name hd#) 4.0 1.7 2.5


!Thr-12 HG2#
assign (segid B and resid 12 and name hg2#) (segid B and resid 50 and name ha) 4.0 2.2 3.5
assign (segid B and resid 12 and name hg2#) (segid B and resid 50 and name hb1) 3.0 1.2 1.8
assign (segid B and resid 12 and name hg2#) (segid B and resid 50 and name hb2) 4.0 1.7 2.0
assign (segid B and resid 12 and name hg2#) (segid B and resid 51 and name ha) 3.0 1.2 1.8
assign (segid B and resid 12 and name hg2#) (segid B and resid 52 and name ha) 3.0 1.2 1.8
assign (segid B and resid 12 and name hg2#) (segid B and resid 52 and name hb2) 3.0 1.2 1.8
assign (segid B and resid 12 and name hg2#) (segid B and resid 52 and name hb1) 4.0 1.7 2.5

!Pro-19 CdH
assign (segid B and resid 19 and name hd1) (segid B and resid 61 and name hg1#) 4.0 1.7 2.5
assign (segid B and resid 19 and name hd2) (segid B and resid 61 and name hg1#) 4.0 1.7 2.5

!Ile-22 HG2#
assign (segid B and resid 22 and name hg2#) (segid B and resid 41 and name ha) 4.0 1.7 2.5
assign (segid B and resid 22 and name hg2#) (segid B and resid 41 and name hg1#) 4.0 1.7 4.0
assign (segid B and resid 22 and name hg2#) (segid B and resid 41 and name hg2#) 2.5 0.7 2.2
assign (segid B and resid 22 and name hg2#) (segid B and resid 43 and name ha) 4.0 1.7 2.5
assign (segid B and resid 22 and name hg2#) (segid B and resid 43 and name hd1#) 4.0 1.7 4.0 
assign (segid B and resid 22 and name hg2#) (segid B and resid 62 and name hg*) 3.0 1.2 4.3
assign (segid B and resid 22 and name hg2#) (segid B and resid 65 and name hb1) 4.0 1.7 2.5
assign (segid B and resid 22 and name hg2#) (segid B and resid 65 and name hb2) 4.0 1.7 2.5


!Ile-22 HD#
assign (segid B and resid 22 and name hd#) (segid B and resid 41 and name hg2#) 2.5 0.7 3.2
assign (segid B and resid 22 and name hd#) (segid B and resid 42 and name hn) 4.0 1.7 3.5

!Ile-39 HG2#
assign (segid B and resid 39 and name hg2#) (segid B and resid 27 and name ha) 4.0 1.7 2.5
assign (segid B and resid 39 and name hg2#) (segid B and resid 51 and name hb2) 2.5 0.7 1.7
assign (segid B and resid 39 and name hg2#) (segid B and resid 27 and name hg2#) 3.0 1.2 3.3
assign (segid B and resid 39 and name hg2#) (segid B and resid 51 and name hn) 4.0 1.7 2.5

!Ile-39 HD#
assign (segid B and resid 39 and name hd#) (segid B and resid 27 and name hg1#) 3.0 1.2 3.3
assign (segid B and resid 39 and name hd#) (segid B and resid 27 and name hg2#) 3.0 1.2 3.3


!Ile-43 HD#
assign (segid B and resid 43 and name hd2#) (segid B and resid 21 and name hb2) 4.0 1.7 2.5
assign (segid B and resid 43 and name hd2#) (segid B and resid 21 and name hb1) 4.0 1.7 2.5

!Val-58 HG1#
assign (segid B and resid 58 and name hg1#) (segid B and resid 39 and name hg2#) 3.0 1.2 3.3
assign (segid B and resid 58 and name hg1#) (segid B and resid 51 and name hd1#) 3.0 1.2 3.3
assign (segid B and resid 58 and name hg1#) (segid B and resid 51 and name ha) 4.0 1.7 2.5
assign (segid B and resid 58 and name hg1#) (segid B and resid 51 and name hb2) 3.0 1.2 1.8
assign (segid B and resid 58 and name hg1#) (segid B and resid 51 and name hb1) 3.0 1.2 1.8


!Val-58 HG2#
assign (segid B and resid 58 and name hg1#) (segid B and resid 51 and name hd1#) 3.0 1.2 3.3
assign (segid B and resid 58 and name hg2#) (segid B and resid 51 and name ha) 4.0 1.7 2.5
assign (segid B and resid 58 and name hg2#) (segid B and resid 51 and name hb1) 3.0 1.2 1.8




!A.3.1 Intraresidue: intramonomer A

!Glu-4
assign (segid A and resid 4 and name hn) (segid A and resid 4 and name ha) 4.0 1.7 1.0
assign (segid A and resid 4 and name hn) (segid A and resid 4 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 4 and name hn) (segid A and resid 4 and name hb2) 3.0 1.2 0.5
assign (segid A and resid 4 and name ha) (segid A and resid 4 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 4 and name ha) (segid A and resid 4 and name hb2) 4.0 1.7 1.0

!Leu-5
assign (segid A and resid 5 and name hn) (segid A and resid 5 and name ha) 4.0 1.7 1.0
assign (segid A and resid 5 and name hn) (segid A and resid 5 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 5 and name hn) (segid A and resid 5 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 5 and name ha) (segid A and resid 5 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 5 and name ha) (segid A and resid 5 and name hb1) 2.5 0.7 0.2

!Arg-6
assign (segid A and resid 6 and name hn) (segid A and resid 6 and name ha) 3.0 1.2 0.5
assign (segid A and resid 6 and name hn) (segid A and resid 6 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 6 and name hn) (segid A and resid 6 and name hb2) 3.0 1.2 0.5
assign (segid A and resid 6 and name hn) (segid A and resid 6 and name hd#) 3.0 1.2 1.5
assign (segid A and resid 6 and name ha) (segid A and resid 6 and name hb1) 3.0 1.2 0.3
assign (segid A and resid 6 and name ha) (segid A and resid 6 and name hb2) 4.0 1.7 1.0

!Cys-7
assign (segid A and resid 7 and name hn) (segid A and resid 7 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 7 and name hn) (segid A and resid 7 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 7 and name ha) (segid A and resid 7 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 7 and name ha) (segid A and resid 7 and name hb2) 4.0 1.7 1.0

!Gln-8
assign (segid A and resid 8 and name ha) (segid A and resid 8 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 8 and name ha) (segid A and resid 8 and name hb2) 4.0 1.7 1.0

!Cys-9
assign (segid A and resid 9 and name hn) (segid A and resid 9 and name ha) 3.0 1.2 0.5
assign (segid A and resid 9 and name hn) (segid A and resid 9 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 9 and name hn) (segid A and resid 9 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 9 and name ha) (segid A and resid 9 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 9 and name ha) (segid A and resid 9 and name hb1) 2.5 0.7 0.2

!Ile-10
assign (segid A and resid 10 and name hn) (segid A and resid 10 and name ha) 4.0 1.7 1.0
assign (segid A and resid 10 and name hn) (segid A and resid 10 and name hb) 3.0 1.2 0.5
assign (segid A and resid 10 and name ha) (segid A and resid 10 and name hb) 4.0 1.7 1.0

!Lys-11
assign (segid A and resid 11 and name hn) (segid A and resid 11 and name ha) 4.0 1.7 1.0
assign (segid A and resid 11 and name hn) (segid A and resid 11 and name hb#) 2.5 0.7 1.4
assign (segid A and resid 11 and name ha) (segid A and resid 11 and name hb#) 2.5 0.7 1.2

!Thr-12
assign (segid A and resid 12 and name hn) (segid A and resid 12 and name ha) 4.0 1.7 1.0
assign (segid A and resid 12 and name hn) (segid A and resid 12 and name hb) 4.0 1.7 1.0
assign (segid A and resid 12 and name ha) (segid A and resid 12 and name hb) 2.5 0.7 0.2

!Tyr-13 
assign (segid A and resid 13 and name hn) (segid A and resid 13 and name ha) 4.0 1.7 1.0
assign (segid A and resid 13 and name hn) (segid A and resid 13 and name hb#) 2.5 0.7 1.4
assign (segid A and resid 13 and name ha) (segid A and resid 13 and name hb#) 2.5 0.7 1.2
assign (segid A and resid 13 and name hd#) (segid A and resid 13 and name ha) 2.5 0.7 2.2
assign (segid A and resid 13 and name hd2) (segid A and resid 13 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 13 and name hd1) (segid A and resid 13 and name hb2) 2.5 0.7 0.2
assign (segid A and resid 13 and name hd#) (segid A and resid 13 and name hn) 4.0 1.7 3.0


!Ser-14
assign (segid A and resid 14 and name hn) (segid A and resid 14 and name ha) 4.0 1.7 1.0
assign (segid A and resid 14 and name hn) (segid A and resid 14 and name hb#) 3.0 1.2 1.5
assign (segid A and resid 14 and name ha) (segid A and resid 14 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 14 and name ha) (segid A and resid 14 and name hb2) 2.5 0.7 0.2

!Lys-15
assign (segid A and resid 15 and name hn) (segid A and resid 15 and name hb#) 2.5 0.7 1.4
assign (segid A and resid 15 and name ha) (segid A and resid 15 and name hb#) 2.5 0.7 1.2

!Pro-16
assign (segid A and resid 16 and name ha) (segid A and resid 16 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 16 and name ha) (segid A and resid 16 and name hb1) 2.5 0.7 0.2


!Phe-17 
assign (segid A and resid 17 and name hn) (segid A and resid 17 and name ha) 3.0 1.2 0.5
assign (segid A and resid 17 and name hn) (segid A and resid 17 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 17 and name hn) (segid A and resid 17 and name hb1) 3.0 1.2 0.5
assign (segid A and resid 17 and name ha) (segid A and resid 17 and name hb2) 2.5 0.7 0.2
assign (segid A and resid 17 and name ha) (segid A and resid 17 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 17 and name hd1) (segid A and resid 17 and name hn) 3.0 1.2 0.3
assign (segid A and resid 17 and name hd2) (segid A and resid 17 and name hb2) 3.0 1.2 0.3
assign (segid A and resid 17 and name hd1) (segid A and resid 17 and name hb1) 3.0 1.2 0.3
assign (segid A and resid 17 and name hd#) (segid A and resid 17 and name ha) 3.0 1.2 2.3

!His-18
assign (segid A and resid 18 and name hn) (segid A and resid 18 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 18 and name hn) (segid A and resid 18 and name hb1) 3.0 1.2 0.5
assign (segid A and resid 18 and name ha) (segid A and resid 18 and name hb2) 2.5 0.7 0.2
assign (segid A and resid 18 and name ha) (segid A and resid 18 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 18 and name hd2) (segid A and resid 18 and name ha) 3.0 1.2 0.3
assign (segid A and resid 18 and name hd2) (segid A and resid 18 and name hb1) 4.0 1.2 1.0
assign (segid A and resid 18 and name hd2) (segid A and resid 18 and name hb2) 3.0 1.2 0.3

!Pro-19
assign (segid A and resid 19 and name ha) (segid A and resid 19 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 19 and name ha) (segid A and resid 19 and name hb2) 3.0 1.2 0.3

!Lys-20
assign (segid A and resid 20 and name hn) (segid A and resid 20 and name ha) 4.0 1.7 1.0
assign (segid A and resid 20 and name ha) (segid A and resid 20 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 20 and name ha) (segid A and resid 20 and name hb2) 3.0 1.2 0.3



!Phe-21 
assign (segid A and resid 21 and name hn) (segid A and resid 21 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 21 and name hn) (segid A and resid 21 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 21 and name ha) (segid A and resid 21 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 21 and name ha) (segid A and resid 21 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 21 and name hd1) (segid A and resid 21 and name hb1) 3.0 1.2 0.3
assign (segid A and resid 21 and name hd2) (segid A and resid 21 and name hb2) 3.0 1.2 0.3
assign (segid A and resid 21 and name hd#) (segid A and resid 21 and name ha) 3.0 1.2 2.3

!Ile-22 
assign (segid A and resid 22 and name hn) (segid A and resid 22 and name ha) 2.5 0.7 0.4
assign (segid A and resid 22 and name hn) (segid A and resid 22 and name hb) 2.5 0.7 0.4
assign (segid A and resid 22 and name ha) (segid A and resid 22 and name hb) 4.0 1.7 1.0
assign (segid A and resid 22 and name ha) (segid A and resid 22 and name hg1#) 3.0 1.2 1.8
assign (segid A and resid 22 and name hg2#) (segid A and resid 22 and name ha) 2.5 0.7 1.7
assign (segid A and resid 22 and name hg2#) (segid A and resid 22 and name hb) 2.5 0.7 1.7
assign (segid A and resid 22 and name hd#) (segid A and resid 22 and name ha) 2.5 0.7 1.7
assign (segid A and resid 22 and name hd#) (segid A and resid 22 and name hb) 4.0 1.7 2.5

!Lys-23
assign (segid A and resid 23 and name ha) (segid A and resid 23 and name hn) 2.5 0.7 0.2
assign (segid A and resid 23 and name hn) (segid A and resid 23 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 23 and name hn) (segid A and resid 23 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 23 and name ha) (segid A and resid 23 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 23 and name ha) (segid A and resid 23 and name hb2) 4.0 1.7 1.0

!Glu-24
assign (segid A and resid 24 and name hn) (segid A and resid 24 and name ha) 4.0 1.7 1.0
assign (segid A and resid 24 and name hn) (segid A and resid 24 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 24 and name hn) (segid A and resid 24 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 24 and name ha) (segid A and resid 24 and name hb2) 2.5 0.7 0.2
assign (segid A and resid 24 and name ha) (segid A and resid 24 and name hb1) 4.0 1.7 1.0

!Leu-25
assign (segid A and resid 25 and name hn) (segid A and resid 25 and name ha) 2.5 0.7 0.4
assign (segid A and resid 25 and name hn) (segid A and resid 25 and name hb1) 3.0 1.2 0.5
assign (segid A and resid 25 and name hn) (segid A and resid 25 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 25 and name ha) (segid A and resid 25 and name hb2) 3.0 1.2 0.3

!Arg-26
assign (segid A and resid 26 and name hn) (segid A and resid 26 and name ha) 3.0 1.2 0.5
assign (segid A and resid 26 and name hn) (segid A and resid 26 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 26 and name hn) (segid A and resid 26 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 26 and name ha) (segid A and resid 26 and name hb1) 3.0 1.2 0.3
assign (segid A and resid 26 and name ha) (segid A and resid 26 and name hb2) 2.5 0.7 0.2

!Val-27
assign (segid A and resid 27 and name hn) (segid A and resid 27 and name ha) 4.0 1.7 1.0
assign (segid A and resid 27 and name hn) (segid A and resid 27 and name hb) 2.5 0.7 0.4
assign (segid A and resid 27 and name ha) (segid A and resid 27 and name hb) 4.0 1.7 1.0

!Ile-28
assign (segid A and resid 28 and name hn) (segid A and resid 28 and name hb) 2.5 0.7 0.4
assign (segid A and resid 28 and name ha) (segid A and resid 28 and name hb) 3.0 1.2 0.3

!Glu-29
assign (segid A and resid 29 and name hn) (segid A and resid 29 and name ha) 4.0 1.7 1.0
assign (segid A and resid 29 and name hn) (segid A and resid 29 and name hb1) 2.5 0.7 0.4
assign (segid A and resid 29 and name hn) (segid A and resid 29 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 29 and name ha) (segid A and resid 29 and name hb1) 3.0 1.2 0.3
assign (segid A and resid 29 and name ha) (segid A and resid 29 and name hb2) 2.5 0.7 0.2

!Ser-30
assign (segid A and resid 30 and name hn) (segid A and resid 30 and name ha) 4.0 1.7 1.0
assign (segid A and resid 30 and name hn) (segid A and resid 30 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 30 and name hn) (segid A and resid 30 and name hb1) 2.5 0.7 0.4
assign (segid A and resid 30 and name ha) (segid A and resid 30 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 30 and name ha) (segid A and resid 30 and name hb2) 2.5 0.7 0.2

!Pro-32
assign (segid A and resid 32 and name ha) (segid A and resid 32 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 32 and name ha) (segid A and resid 32 and name hb2) 3.0 1.2 0.3

!His-33 
assign (segid A and resid 33 and name hn) (segid A and resid 33 and name ha) 4.0 1.7 1.0
assign (segid A and resid 33 and name hn) (segid A and resid 33 and name hb#) 4.0 1.7 2.0
assign (segid A and resid 33 and name ha) (segid A and resid 33 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 33 and name ha) (segid A and resid 33 and name hb2) 2.5 0.7 0.2
assign (segid A and resid 33 and name hd2) (segid A and resid 33 and name ha) 4.0 1.7 1.0
assign (segid A and resid 33 and name hd2) (segid A and resid 33 and name hb#) 3.0 1.2 1.3

!Cys-34
assign (segid A and resid 34 and name hn) (segid A and resid 34 and name ha) 3.0 1.2 0.5
assign (segid A and resid 34 and name hn) (segid A and resid 34 and name hb1) 3.0 1.2 0.5
assign (segid A and resid 34 and name hn) (segid A and resid 34 and name hb2) 3.0 1.2 0.5
assign (segid A and resid 34 and name ha) (segid A and resid 34 and name hb2) 3.0 1.2 0.3

!Ala-35
assign (segid A and resid 35 and name hn) (segid A and resid 35 and name ha) 2.5 0.7 0.4
assign (segid A and resid 35 and name hn) (segid A and resid 35 and name hb#) 2.5 0.7 1.9

!Asn-36
assign (segid A and resid 36 and name hn) (segid A and resid 36 and name ha) 3.0 1.2 0.5
assign (segid A and resid 36 and name hn) (segid A and resid 36 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 36 and name hn) (segid A and resid 36 and name hb2) 2.5 0.7 0.5
assign (segid A and resid 36 and name ha) (segid A and resid 36 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 36 and name ha) (segid A and resid 36 and name hb2) 4.0 1.7 1.0

!Thr-37
assign (segid A and resid 37 and name hn) (segid A and resid 37 and name ha) 4.0 1.7 1.0
assign (segid A and resid 37 and name hn) (segid A and resid 37 and name hb) 2.5 0.7 0.4
assign (segid A and resid 37 and name ha) (segid A and resid 37 and name hb) 2.5 0.7 0.2

!Glu-38
assign (segid A and resid 38 and name hn) (segid A and resid 38 and name ha) 4.0 1.7 1.0

!Ile-39
assign (segid A and resid 39 and name hn) (segid A and resid 39 and name ha) 4.0 1.7 1.0
assign (segid A and resid 39 and name hn) (segid A and resid 39 and name hb) 3.0 1.2 0.5
assign (segid A and resid 39 and name ha) (segid A and resid 39 and name hb) 4.0 1.7 1.0
assign (segid A and resid 39 and name ha) (segid A and resid 39 and name hg2#) 2.5 0.7 1.7
assign (segid A and resid 39 and name ha) (segid A and resid 39 and name hd#) 4.0 1.7 2.5
assign (segid A and resid 39 and name hb) (segid A and resid 39 and name hg2#) 2.5 0.7 1.7
assign (segid A and resid 39 and name hb) (segid A and resid 39 and name hd#) 2.5 0.7 1.7
assign (segid A and resid 39 and name ha) (segid A and resid 39 and name hg11) 3.0 1.2 0.3
assign (segid A and resid 39 and name ha) (segid A and resid 39 and name hg12) 3.0 1.2 0.3

!Ile-40
assign (segid A and resid 40 and name hn) (segid A and resid 40 and name ha) 4.0 1.7 1.0
assign (segid A and resid 40 and name hn) (segid A and resid 40 and name hb) 2.5 0.7 0.4
assign (segid A and resid 40 and name ha) (segid A and resid 40 and name hb) 4.0 1.7 1.0

!Val-41 
assign (segid A and resid 41 and name hn) (segid A and resid 41 and name ha) 2.5 0.7 0.4
assign (segid A and resid 41 and name ha) (segid A and resid 41 and name hb) 2.5 0.7 0.2

!Lys-42
assign (segid A and resid 42 and name hn) (segid A and resid 42 and name ha) 3.0 1.2 0.5
assign (segid A and resid 42 and name hn) (segid A and resid 42 and name hb1) 3.0 1.2 0.5
assign (segid A and resid 42 and name hn) (segid A and resid 42 and name hb2) 3.0 1.2 0.5
assign (segid A and resid 42 and name ha) (segid A and resid 42 and name hb1) 3.0 1.2 0.3
assign (segid A and resid 42 and name ha) (segid A and resid 42 and name hb2) 3.0 1.2 0.3

!Leu-43
assign (segid A and resid 43 and name hn) (segid A and resid 43 and name ha) 4.0 1.7 1.0
assign (segid A and resid 43 and name hn) (segid A and resid 43 and name hb2) 3.0 1.2 0.5
assign (segid A and resid 43 and name hn) (segid A and resid 43 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 43 and name ha) (segid A and resid 43 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 43 and name ha) (segid A and resid 43 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 43 and name hn) (segid A and resid 43 and name hd1#) 3.0 1.2 1.8 
assign (segid A and resid 43 and name hn) (segid A and resid 43 and name hd2#) 4.0 1.7 2.5

!Ser-44
assign (segid A and resid 44 and name hn) (segid A and resid 44 and name ha) 2.5 0.7 0.4
assign (segid A and resid 44 and name hn) (segid A and resid 44 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 44 and name hn) (segid A and resid 44 and name hb1) 2.5 0.7 0.4
assign (segid A and resid 44 and name ha) (segid A and resid 44 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 44 and name ha) (segid A and resid 44 and name hb2) 2.5 0.7 0.2

!Asp-45
assign (segid A and resid 45 and name ha) (segid A and resid 45 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 45 and name ha) (segid A and resid 45 and name hb2) 2.5 0.7 0.2

!Arg-47
assign (segid A and resid 47 and name hn) (segid A and resid 47 and name ha) 3.0 1.2 0.5
assign (segid A and resid 47 and name hn) (segid A and resid 47 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 47 and name hn) (segid A and resid 47 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 47 and name hn) (segid A and resid 47 and name hd#) 3.0 1.2 1.3
assign (segid A and resid 47 and name ha) (segid A and resid 47 and name hb2) 3.0 1.2 0.3
assign (segid A and resid 47 and name ha) (segid A and resid 47 and name hb1) 2.5 0.7 0.2

!Glu-48
assign (segid A and resid 48 and name ha) (segid A and resid 48 and name hb#) 2.5 0.7 1.2

!Leu-49
assign (segid A and resid 49 and name hn) (segid A and resid 49 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 49 and name hn) (segid A and resid 49 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 49 and name ha) (segid A and resid 49 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 49 and name ha) (segid A and resid 49 and name hb1) 2.5 0.7 0.2

!Cys-50
assign (segid A and resid 50 and name hn) (segid A and resid 50 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 50 and name hn) (segid A and resid 50 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 50 and name ha) (segid A and resid 50 and name hb2) 3.0 1.2 0.3
assign (segid A and resid 50 and name ha) (segid A and resid 50 and name hb1) 2.5 0.7 0.2

!Leu-51
assign (segid A and resid 51 and name hn) (segid A and resid 51 and name ha) 4.0 1.7 1.0
assign (segid A and resid 51 and name hn) (segid A and resid 51 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 51 and name hn) (segid A and resid 51 and name hb2) 2.5 0.7 0.4

!Asp-52
assign (segid A and resid 52 and name hn) (segid A and resid 52 and name hb1) 3.0 1.2 0.5
assign (segid A and resid 52 and name hn) (segid A and resid 52 and name hb2) 3.0 1.2 0.5
assign (segid A and resid 52 and name ha) (segid A and resid 52 and name hb2) 2.5 0.7 0.2
assign (segid A and resid 52 and name ha) (segid A and resid 52 and name hb1) 4.0 1.7 1.0

!Pro-53
assign (segid A and resid 53 and name ha) (segid A and resid 53 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 53 and name ha) (segid A and resid 53 and name hb2) 4.0 1.7 1.0

!Lys-54

assign (segid A and resid 54 and name hn) (segid A and resid 54 and name ha) 2.5 0.7 0.2
assign (segid A and resid 54 and name hn) (segid A and resid 54 and name hb#) 2.5 0.7 1.4

!Glu-55
assign (segid A and resid 55 and name hn) (segid A and resid 55 and name ha) 4.0 1.7 1.0
assign (segid A and resid 55 and name hn) (segid A and resid 55 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 55 and name hn) (segid A and resid 55 and name hb2) 2.5 0.7 0.5
assign (segid A and resid 55 and name ha) (segid A and resid 55 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 55 and name ha) (segid A and resid 55 and name hb2) 4.0 1.7 1.0

!Asn-56
assign (segid A and resid 56 and name hn) (segid A and resid 56 and name hb#) 2.5 0.7 1.4
assign (segid A and resid 56 and name ha) (segid A and resid 56 and name hb#) 2.5 0.7 1.2

!Trp-57
assign (segid A and resid 57 and name hn) (segid A and resid 57 and name hb2) 4.0 1.7 1.0
assign (segid A and resid 57 and name hn) (segid A and resid 57 and name hb1) 2.5 0.7 0.4
assign (segid A and resid 57 and name ha) (segid A and resid 57 and name hb2) 2.5 0.7 0.2
assign (segid A and resid 57 and name ha) (segid A and resid 57 and name hb1) 2.5 0.7 0.2

!Trp-57 HD1
assign (segid A and resid 57 and name hd1) (segid A and resid 57 and name ha) 4.0 1.7 1.0
assign (segid A and resid 57 and name hd1) (segid A and resid 57 and name hb1) 3.0 1.2 0.3
assign (segid A and resid 57 and name hd1) (segid A and resid 57 and name hb2) 4.0 1.7 1.0

!Trp-57 HE3
assign (segid A and resid 57 and name he3) (segid A and resid 57 and name hb2) 2.5 0.7 0.2
assign (segid A and resid 57 and name he3) (segid A and resid 57 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 57 and name he3) (segid A and resid 57 and name ha) 4.0 1.7 1.0


!Val-58 
assign (segid A and resid 58 and name hn) (segid A and resid 58 and name ha) 2.5 0.7 0.4
assign (segid A and resid 58 and name hn) (segid A and resid 58 and name hb) 2.5 0.7 0.4
assign (segid A and resid 58 and name ha) (segid A and resid 58 and name hb) 4.0 1.7 1.0
assign (segid A and resid 58 and name hg1#) (segid A and resid 58 and name ha) 2.5 0.7 1.7
assign (segid A and resid 58 and name hg1#) (segid A and resid 58 and name hb) 2.5 0.7 1.7
assign (segid A and resid 58 and name hg2#) (segid A and resid 58 and name ha) 2.5 0.7 1.7
assign (segid A and resid 58 and name hg2#) (segid A and resid 58 and name hb) 2.5 0.7 1.7

!Gln-59
assign (segid A and resid 59 and name hn) (segid A and resid 59 and name ha) 2.5 0.7 0.4
assign (segid A and resid 59 and name hn) (segid A and resid 59 and name hb1) 2.5 0.7 0.4
assign (segid A and resid 59 and name hn) (segid A and resid 59 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 59 and name ha) (segid A and resid 59 and name hb1) 4.0 1.7 1.0
assign (segid A and resid 59 and name ha) (segid A and resid 59 and name hb2) 2.5 0.7 0.2

!Arg-60
assign (segid A and resid 60 and name hn) (segid A and resid 60 and name ha) 2.5 0.7 0.4

!Val-61
assign (segid A and resid 61 and name hn) (segid A and resid 61 and name hb) 3.0 1.2 0.4
assign (segid A and resid 61 and name ha) (segid A and resid 61 and name hb) 2.5 0.7 0.2


!Val-62
assign (segid A and resid 62 and name hn) (segid A and resid 62 and name ha) 3.0 1.2 0.5
assign (segid A and resid 62 and name hn) (segid A and resid 62 and name hb) 2.5 0.7 0.4
assign (segid A and resid 62 and name ha) (segid A and resid 62 and name hb) 3.0 1.2 0.3

!Glu-63
assign (segid A and resid 63 and name hn) (segid A and resid 63 and name ha) 3.0 1.2 0.5
assign (segid A and resid 63 and name ha) (segid A and resid 63 and name hb#) 3.0 1.2 1.3

!Lys-64
assign (segid A and resid 64 and name hn) (segid A and resid 64 and name ha) 2.5 0.7 0.4
assign (segid A and resid 64 and name hn) (segid A and resid 64 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 64 and name ha) (segid A and resid 64 and name hb1) 4.0 1.7 1.0

!Phe-65 
assign (segid A and resid 65 and name hn) (segid A and resid 65 and name ha) 2.5 0.7 0.4
assign (segid A and resid 65 and name hn) (segid A and resid 65 and name hb1) 2.5 0.7 0.4
assign (segid A and resid 65 and name hn) (segid A and resid 65 and name hb2) 2.5 0.7 0.4
assign (segid A and resid 65 and name ha) (segid A and resid 65 and name hb1) 2.5 0.7 0.2
assign (segid A and resid 65 and name ha) (segid A and resid 65 and name hb2) 2.5 0.7 0.2
assign (segid A and resid 65 and name hd1) (segid A and resid 65 and name ha) 2.5 0.7 0.2
assign (segid A and resid 65 and name hd1) (segid A and resid 65 and name hb2) 2.5 0.7 0.2
assign (segid A and resid 65 and name hd2) (segid A and resid 65 and name hb1) 2.5 0.7 0.2

!Leu-66
assign (segid A and resid 66 and name hn) (segid A and resid 66 and name ha) 2.5 0.7 0.4
assign (segid A and resid 66 and name hn) (segid A and resid 66 and name hb#) 2.5 0.7 1.9
assign (segid A and resid 66 and name ha) (segid A and resid 66 and name hb#) 3.0 1.2 1.8

!Lys-67
assign (segid A and resid 67 and name hn) (segid A and resid 67 and name ha) 2.5 0.7 0.4

!Arg-68
assign (segid A and resid 68 and name hn) (segid A and resid 68 and name ha) 2.5 0.7 0.4
assign (segid A and resid 68 and name hn) (segid A and resid 68 and name hb1) 3.0 1.2 0.5
assign (segid A and resid 68 and name hn) (segid A and resid 68 and name hb2) 2.5 0.7 0.4

!Ala-69
assign (segid A and resid 69 and name hn) (segid A and resid 69 and name ha) 2.5 0.7 0.4

!Glu-70
assign (segid A and resid 70 and name hn) (segid A and resid 70 and name ha) 2.5 0.7 0.4
assign (segid A and resid 70 and name hn) (segid A and resid 70 and name hb1) 3.0 1.2 0.5
assign (segid A and resid 70 and name hn) (segid A and resid 70 and name hb2) 2.5 0.7 0.4

!Asn-71
assign (segid A and resid 71 and name hn) (segid A and resid 71 and name ha) 3.0 1.2 0.5
assign (segid A and resid 71 and name hn) (segid A and resid 71 and name hb2) 3.0 1.2 0.5
assign (segid A and resid 71 and name hn) (segid A and resid 71 and name hb1) 2.5 0.7 0.4
assign (segid A and resid 71 and name ha) (segid A and resid 71 and name hb2) 2.5 0.7 0.2
assign (segid A and resid 71 and name ha) (segid A and resid 71 and name hb1) 4.0 1.7 1.0

!Ser-72
assign (segid A and resid 72 and name hn) (segid A and resid 72 and name ha) 2.5 0.7 0.4
assign (segid A and resid 72 and name hn) (segid A and resid 72 and name hb#) 3.0 1.2 1.5
assign (segid A and resid 72 and name ha) (segid A and resid 72 and name hb#) 2.5 0.7 0.9



!A.3.2. Intraresidue: intramonomer

!Glu-4
assign (segid B and resid 4 and name hn) (segid B and resid 4 and name ha) 4.0 1.7 1.0
assign (segid B and resid 4 and name hn) (segid B and resid 4 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 4 and name hn) (segid B and resid 4 and name hb2) 3.0 1.2 0.5
assign (segid B and resid 4 and name ha) (segid B and resid 4 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 4 and name ha) (segid B and resid 4 and name hb2) 4.0 1.7 1.0

!Leu-5
assign (segid B and resid 5 and name hn) (segid B and resid 5 and name ha) 4.0 1.7 1.0
assign (segid B and resid 5 and name hn) (segid B and resid 5 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 5 and name hn) (segid B and resid 5 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 5 and name ha) (segid B and resid 5 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 5 and name ha) (segid B and resid 5 and name hb1) 2.5 0.7 0.2

!Arg-6
assign (segid B and resid 6 and name hn) (segid B and resid 6 and name ha) 3.0 1.2 0.5
assign (segid B and resid 6 and name hn) (segid B and resid 6 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 6 and name hn) (segid B and resid 6 and name hb2) 3.0 1.2 0.5
assign (segid B and resid 6 and name hn) (segid B and resid 6 and name hd#) 3.0 1.2 1.5
assign (segid B and resid 6 and name ha) (segid B and resid 6 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 6 and name ha) (segid B and resid 6 and name hb2) 4.0 1.7 1.0

!Cys-7
assign (segid B and resid 7 and name hn) (segid B and resid 7 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 7 and name hn) (segid B and resid 7 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 7 and name ha) (segid B and resid 7 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 7 and name ha) (segid B and resid 7 and name hb2) 4.0 1.7 1.0

!Gln-8
assign (segid B and resid 8 and name ha) (segid B and resid 8 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 8 and name ha) (segid B and resid 8 and name hb2) 4.0 1.7 1.0

!Cys-9
assign (segid B and resid 9 and name hn) (segid B and resid 9 and name ha) 3.0 1.2 0.5
assign (segid B and resid 9 and name hn) (segid B and resid 9 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 9 and name hn) (segid B and resid 9 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 9 and name ha) (segid B and resid 9 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 9 and name ha) (segid B and resid 9 and name hb1) 2.5 0.7 0.2

!Ile-10
assign (segid B and resid 10 and name hn) (segid B and resid 10 and name ha) 4.0 1.7 1.0
assign (segid B and resid 10 and name hn) (segid B and resid 10 and name hb) 3.0 1.2 0.5
assign (segid B and resid 10 and name ha) (segid B and resid 10 and name hb) 4.0 1.7 1.0

!Lys-11
assign (segid B and resid 11 and name hn) (segid B and resid 11 and name ha) 4.0 1.7 1.0
assign (segid B and resid 11 and name hn) (segid B and resid 11 and name hb#) 2.5 0.7 1.4
assign (segid B and resid 11 and name ha) (segid B and resid 11 and name hb#) 2.5 0.7 1.2

!Thr-12
assign (segid B and resid 12 and name hn) (segid B and resid 12 and name ha) 4.0 1.7 1.0
assign (segid B and resid 12 and name hn) (segid B and resid 12 and name hb) 4.0 1.7 1.0
assign (segid B and resid 12 and name ha) (segid B and resid 12 and name hb) 2.5 0.7 0.2

!Tyr-13 
assign (segid B and resid 13 and name hn) (segid B and resid 13 and name ha) 4.0 1.7 1.0
assign (segid B and resid 13 and name hn) (segid B and resid 13 and name hb#) 2.5 0.7 1.4
assign (segid B and resid 13 and name ha) (segid B and resid 13 and name hb#) 2.5 0.7 1.2
assign (segid B and resid 13 and name hd#) (segid B and resid 13 and name ha) 2.5 0.7 2.2
assign (segid B and resid 13 and name hd2) (segid B and resid 13 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 13 and name hd1) (segid B and resid 13 and name hb2) 2.5 0.7 0.2
assign (segid B and resid 13 and name hd#) (segid B and resid 13 and name hn) 4.0 1.7 3.0


!Ser-14
assign (segid B and resid 14 and name hn) (segid B and resid 14 and name ha) 4.0 1.7 1.0
assign (segid B and resid 14 and name hn) (segid B and resid 14 and name hb#) 3.0 1.2 1.5
assign (segid B and resid 14 and name ha) (segid B and resid 14 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 14 and name ha) (segid B and resid 14 and name hb2) 2.5 0.7 0.2

!Lys-15
assign (segid B and resid 15 and name hn) (segid B and resid 15 and name hb#) 2.5 0.7 1.4
assign (segid B and resid 15 and name ha) (segid B and resid 15 and name hb#) 2.5 0.7 1.2

!Pro-16
assign (segid B and resid 16 and name ha) (segid B and resid 16 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 16 and name ha) (segid B and resid 16 and name hb1) 2.5 0.7 0.2


!Phe-17 
assign (segid B and resid 17 and name hn) (segid B and resid 17 and name ha) 3.0 1.2 0.5
assign (segid B and resid 17 and name hn) (segid B and resid 17 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 17 and name hn) (segid B and resid 17 and name hb1) 3.0 1.2 0.5
assign (segid B and resid 17 and name ha) (segid B and resid 17 and name hb2) 2.5 0.7 0.2
assign (segid B and resid 17 and name ha) (segid B and resid 17 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 17 and name hd1) (segid B and resid 17 and name hn) 3.0 1.2 0.3
assign (segid B and resid 17 and name hd2) (segid B and resid 17 and name hb2) 3.0 1.2 0.3
assign (segid B and resid 17 and name hd1) (segid B and resid 17 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 17 and name hd#) (segid B and resid 17 and name ha) 3.0 1.2 2.3

!His-18
assign (segid B and resid 18 and name hn) (segid B and resid 18 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 18 and name hn) (segid B and resid 18 and name hb1) 3.0 1.2 0.5
assign (segid B and resid 18 and name ha) (segid B and resid 18 and name hb2) 2.5 0.7 0.2
assign (segid B and resid 18 and name ha) (segid B and resid 18 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 18 and name hd2) (segid B and resid 18 and name ha) 3.0 1.2 0.3
assign (segid B and resid 18 and name hd2) (segid B and resid 18 and name hb1) 4.0 1.2 1.0
assign (segid B and resid 18 and name hd2) (segid B and resid 18 and name hb2) 3.0 1.2 0.3

!Pro-19
assign (segid B and resid 19 and name ha) (segid B and resid 19 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 19 and name ha) (segid B and resid 19 and name hb2) 3.0 1.2 0.3

!Lys-20
assign (segid B and resid 20 and name hn) (segid B and resid 20 and name ha) 4.0 1.7 1.0
assign (segid B and resid 20 and name ha) (segid B and resid 20 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 20 and name ha) (segid B and resid 20 and name hb2) 3.0 1.2 0.3



!Phe-21 
assign (segid B and resid 21 and name hn) (segid B and resid 21 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 21 and name hn) (segid B and resid 21 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 21 and name ha) (segid B and resid 21 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 21 and name ha) (segid B and resid 21 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 21 and name hd1) (segid B and resid 21 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 21 and name hd2) (segid B and resid 21 and name hb2) 3.0 1.2 0.3
assign (segid B and resid 21 and name hd#) (segid B and resid 21 and name ha) 3.0 1.2 2.3

!Ile-22 
assign (segid B and resid 22 and name hn) (segid B and resid 22 and name ha) 2.5 0.7 0.4
assign (segid B and resid 22 and name hn) (segid B and resid 22 and name hb) 2.5 0.7 0.4
assign (segid B and resid 22 and name ha) (segid B and resid 22 and name hb) 4.0 1.7 1.0
assign (segid B and resid 22 and name ha) (segid B and resid 22 and name hg1#) 3.0 1.2 1.8
assign (segid B and resid 22 and name hg2#) (segid B and resid 22 and name ha) 2.5 0.7 1.7
assign (segid B and resid 22 and name hg2#) (segid B and resid 22 and name hb) 2.5 0.7 1.7
assign (segid B and resid 22 and name hd#) (segid B and resid 22 and name ha) 2.5 0.7 1.7
assign (segid B and resid 22 and name hd#) (segid B and resid 22 and name hb) 4.0 1.7 2.5

!Lys-23
assign (segid B and resid 23 and name ha) (segid B and resid 23 and name hn) 2.5 0.7 0.2
assign (segid B and resid 23 and name hn) (segid B and resid 23 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 23 and name hn) (segid B and resid 23 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 23 and name ha) (segid B and resid 23 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 23 and name ha) (segid B and resid 23 and name hb2) 4.0 1.7 1.0

!Glu-24
assign (segid B and resid 24 and name hn) (segid B and resid 24 and name ha) 4.0 1.7 1.0
assign (segid B and resid 24 and name hn) (segid B and resid 24 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 24 and name hn) (segid B and resid 24 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 24 and name ha) (segid B and resid 24 and name hb2) 2.5 0.7 0.2
assign (segid B and resid 24 and name ha) (segid B and resid 24 and name hb1) 4.0 1.7 1.0

!Leu-25
assign (segid B and resid 25 and name hn) (segid B and resid 25 and name ha) 2.5 0.7 0.4
assign (segid B and resid 25 and name hn) (segid B and resid 25 and name hb1) 3.0 1.2 0.5
assign (segid B and resid 25 and name hn) (segid B and resid 25 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 25 and name ha) (segid B and resid 25 and name hb2) 3.0 1.2 0.3

!Arg-26
assign (segid B and resid 26 and name hn) (segid B and resid 26 and name ha) 3.0 1.2 0.5
assign (segid B and resid 26 and name hn) (segid B and resid 26 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 26 and name hn) (segid B and resid 26 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 26 and name ha) (segid B and resid 26 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 26 and name ha) (segid B and resid 26 and name hb2) 2.5 0.7 0.2

!Val-27
assign (segid B and resid 27 and name hn) (segid B and resid 27 and name ha) 4.0 1.7 1.0
assign (segid B and resid 27 and name hn) (segid B and resid 27 and name hb) 2.5 0.7 0.4
assign (segid B and resid 27 and name ha) (segid B and resid 27 and name hb) 4.0 1.7 1.0

!Ile-28
assign (segid B and resid 28 and name hn) (segid B and resid 28 and name hb) 2.5 0.7 0.4
assign (segid B and resid 28 and name ha) (segid B and resid 28 and name hb) 3.0 1.2 0.3

!Glu-29
assign (segid B and resid 29 and name hn) (segid B and resid 29 and name ha) 4.0 1.7 1.0
assign (segid B and resid 29 and name hn) (segid B and resid 29 and name hb1) 2.5 0.7 0.4
assign (segid B and resid 29 and name hn) (segid B and resid 29 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 29 and name ha) (segid B and resid 29 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 29 and name ha) (segid B and resid 29 and name hb2) 2.5 0.7 0.2

!Ser-30
assign (segid B and resid 30 and name hn) (segid B and resid 30 and name ha) 4.0 1.7 1.0
assign (segid B and resid 30 and name hn) (segid B and resid 30 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 30 and name hn) (segid B and resid 30 and name hb1) 2.5 0.7 0.4
assign (segid B and resid 30 and name ha) (segid B and resid 30 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 30 and name ha) (segid B and resid 30 and name hb2) 2.5 0.7 0.2

!Pro-32
assign (segid B and resid 32 and name ha) (segid B and resid 32 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 32 and name ha) (segid B and resid 32 and name hb2) 3.0 1.2 0.3

!His-33 
assign (segid B and resid 33 and name hn) (segid B and resid 33 and name ha) 4.0 1.7 1.0
assign (segid B and resid 33 and name hn) (segid B and resid 33 and name hb#) 4.0 1.7 2.0
assign (segid B and resid 33 and name ha) (segid B and resid 33 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 33 and name ha) (segid B and resid 33 and name hb2) 2.5 0.7 0.2
assign (segid B and resid 33 and name hd2) (segid B and resid 33 and name ha) 4.0 1.7 1.0
assign (segid B and resid 33 and name hd2) (segid B and resid 33 and name hb#) 3.0 1.2 1.3

!Cys-34
assign (segid B and resid 34 and name hn) (segid B and resid 34 and name ha) 3.0 1.2 0.5
assign (segid B and resid 34 and name hn) (segid B and resid 34 and name hb1) 3.0 1.2 0.5
assign (segid B and resid 34 and name hn) (segid B and resid 34 and name hb2) 3.0 1.2 0.5
assign (segid B and resid 34 and name ha) (segid B and resid 34 and name hb2) 3.0 1.2 0.3

!Ala-35
assign (segid B and resid 35 and name hn) (segid B and resid 35 and name ha) 2.5 0.7 0.4
assign (segid B and resid 35 and name hn) (segid B and resid 35 and name hb#) 2.5 0.7 1.9

!Asn-36
assign (segid B and resid 36 and name hn) (segid B and resid 36 and name ha) 3.0 1.2 0.5
assign (segid B and resid 36 and name hn) (segid B and resid 36 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 36 and name hn) (segid B and resid 36 and name hb2) 2.5 0.7 0.5
assign (segid B and resid 36 and name ha) (segid B and resid 36 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 36 and name ha) (segid B and resid 36 and name hb2) 4.0 1.7 1.0

!Thr-37
assign (segid B and resid 37 and name hn) (segid B and resid 37 and name ha) 4.0 1.7 1.0
assign (segid B and resid 37 and name hn) (segid B and resid 37 and name hb) 2.5 0.7 0.4
assign (segid B and resid 37 and name ha) (segid B and resid 37 and name hb) 2.5 0.7 0.2

!Glu-38
assign (segid B and resid 38 and name hn) (segid B and resid 38 and name ha) 4.0 1.7 1.0

!Ile-39
assign (segid B and resid 39 and name hn) (segid B and resid 39 and name ha) 4.0 1.7 1.0
assign (segid B and resid 39 and name hn) (segid B and resid 39 and name hb) 3.0 1.2 0.5
assign (segid B and resid 39 and name ha) (segid B and resid 39 and name hb) 4.0 1.7 1.0
assign (segid B and resid 39 and name ha) (segid B and resid 39 and name hg2#) 2.5 0.7 1.7
assign (segid B and resid 39 and name ha) (segid B and resid 39 and name hd#) 4.0 1.7 2.5
assign (segid B and resid 39 and name hb) (segid B and resid 39 and name hg2#) 2.5 0.7 1.7
assign (segid B and resid 39 and name hb) (segid B and resid 39 and name hd#) 2.5 0.7 1.7
assign (segid B and resid 39 and name ha) (segid B and resid 39 and name hg11) 3.0 1.2 0.3
assign (segid B and resid 39 and name ha) (segid B and resid 39 and name hg12) 3.0 1.2 0.3

!Ile-40
assign (segid B and resid 40 and name hn) (segid B and resid 40 and name ha) 4.0 1.7 1.0
assign (segid B and resid 40 and name hn) (segid B and resid 40 and name hb) 2.5 0.7 0.4
assign (segid B and resid 40 and name ha) (segid B and resid 40 and name hb) 4.0 1.7 1.0

!Val-41 
assign (segid B and resid 41 and name hn) (segid B and resid 41 and name ha) 2.5 0.7 0.4
assign (segid B and resid 41 and name ha) (segid B and resid 41 and name hb) 2.5 0.7 0.2

!Lys-42
assign (segid B and resid 42 and name hn) (segid B and resid 42 and name ha) 3.0 1.2 0.5
assign (segid B and resid 42 and name hn) (segid B and resid 42 and name hb1) 3.0 1.2 0.5
assign (segid B and resid 42 and name hn) (segid B and resid 42 and name hb2) 3.0 1.2 0.5
assign (segid B and resid 42 and name ha) (segid B and resid 42 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 42 and name ha) (segid B and resid 42 and name hb2) 3.0 1.2 0.3

!Leu-43
assign (segid B and resid 43 and name hn) (segid B and resid 43 and name ha) 4.0 1.7 1.0
assign (segid B and resid 43 and name hn) (segid B and resid 43 and name hb2) 3.0 1.2 0.5
assign (segid B and resid 43 and name hn) (segid B and resid 43 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 43 and name ha) (segid B and resid 43 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 43 and name ha) (segid B and resid 43 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 43 and name hn) (segid B and resid 43 and name hd1#) 3.0 1.2 1.8 
assign (segid B and resid 43 and name hn) (segid B and resid 43 and name hd2#) 4.0 1.7 2.5

!Ser-44
assign (segid B and resid 44 and name hn) (segid B and resid 44 and name ha) 2.5 0.7 0.4
assign (segid B and resid 44 and name hn) (segid B and resid 44 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 44 and name hn) (segid B and resid 44 and name hb1) 2.5 0.7 0.4
assign (segid B and resid 44 and name ha) (segid B and resid 44 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 44 and name ha) (segid B and resid 44 and name hb2) 2.5 0.7 0.2

!Asp-45
assign (segid B and resid 45 and name ha) (segid B and resid 45 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 45 and name ha) (segid B and resid 45 and name hb2) 2.5 0.7 0.2

!Arg-47
assign (segid B and resid 47 and name hn) (segid B and resid 47 and name ha) 3.0 1.2 0.5
assign (segid B and resid 47 and name hn) (segid B and resid 47 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 47 and name hn) (segid B and resid 47 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 47 and name hn) (segid B and resid 47 and name hd#) 3.0 1.2 1.3
assign (segid B and resid 47 and name ha) (segid B and resid 47 and name hb2) 3.0 1.2 0.3
assign (segid B and resid 47 and name ha) (segid B and resid 47 and name hb1) 2.5 0.7 0.2

!Glu-48
assign (segid B and resid 48 and name ha) (segid B and resid 48 and name hb#) 2.5 0.7 1.2

!Leu-49
assign (segid B and resid 49 and name hn) (segid B and resid 49 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 49 and name hn) (segid B and resid 49 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 49 and name ha) (segid B and resid 49 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 49 and name ha) (segid B and resid 49 and name hb1) 2.5 0.7 0.2

!Cys-50
assign (segid B and resid 50 and name hn) (segid B and resid 50 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 50 and name hn) (segid B and resid 50 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 50 and name ha) (segid B and resid 50 and name hb2) 3.0 1.2 0.3
assign (segid B and resid 50 and name ha) (segid B and resid 50 and name hb1) 2.5 0.7 0.2

!Leu-51
assign (segid B and resid 51 and name hn) (segid B and resid 51 and name ha) 4.0 1.7 1.0
assign (segid B and resid 51 and name hn) (segid B and resid 51 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 51 and name hn) (segid B and resid 51 and name hb2) 2.5 0.7 0.4

!Asp-52
assign (segid B and resid 52 and name hn) (segid B and resid 52 and name hb1) 3.0 1.2 0.5
assign (segid B and resid 52 and name hn) (segid B and resid 52 and name hb2) 3.0 1.2 0.5
assign (segid B and resid 52 and name ha) (segid B and resid 52 and name hb2) 2.5 0.7 0.2
assign (segid B and resid 52 and name ha) (segid B and resid 52 and name hb1) 4.0 1.7 1.0

!Pro-53
assign (segid B and resid 53 and name ha) (segid B and resid 53 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 53 and name ha) (segid B and resid 53 and name hb2) 4.0 1.7 1.0

!Lys-54

assign (segid B and resid 54 and name hn) (segid B and resid 54 and name ha) 2.5 0.7 0.2
assign (segid B and resid 54 and name hn) (segid B and resid 54 and name hb#) 2.5 0.7 1.4

!Glu-55
assign (segid B and resid 55 and name hn) (segid B and resid 55 and name ha) 4.0 1.7 1.0
assign (segid B and resid 55 and name hn) (segid B and resid 55 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 55 and name hn) (segid B and resid 55 and name hb2) 2.5 0.7 0.5
assign (segid B and resid 55 and name ha) (segid B and resid 55 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 55 and name ha) (segid B and resid 55 and name hb2) 4.0 1.7 1.0

!Asn-56
assign (segid B and resid 56 and name hn) (segid B and resid 56 and name hb#) 2.5 0.7 1.4
assign (segid B and resid 56 and name ha) (segid B and resid 56 and name hb#) 2.5 0.7 1.2

!Trp-57
assign (segid B and resid 57 and name hn) (segid B and resid 57 and name hb2) 4.0 1.7 1.0
assign (segid B and resid 57 and name hn) (segid B and resid 57 and name hb1) 2.5 0.7 0.4
assign (segid B and resid 57 and name ha) (segid B and resid 57 and name hb2) 2.5 0.7 0.2
assign (segid B and resid 57 and name ha) (segid B and resid 57 and name hb1) 2.5 0.7 0.2

!Trp-57 HD1
assign (segid B and resid 57 and name hd1) (segid B and resid 57 and name ha) 4.0 1.7 1.0
assign (segid B and resid 57 and name hd1) (segid B and resid 57 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 57 and name hd1) (segid B and resid 57 and name hb2) 4.0 1.7 1.0

!Trp-57 HE3
assign (segid B and resid 57 and name he3) (segid B and resid 57 and name hb2) 2.5 0.7 0.2
assign (segid B and resid 57 and name he3) (segid B and resid 57 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 57 and name he3) (segid B and resid 57 and name ha) 4.0 1.7 1.0


!Val-58 
assign (segid B and resid 58 and name hn) (segid B and resid 58 and name ha) 2.5 0.7 0.4
assign (segid B and resid 58 and name hn) (segid B and resid 58 and name hb) 2.5 0.7 0.4
assign (segid B and resid 58 and name ha) (segid B and resid 58 and name hb) 4.0 1.7 1.0
assign (segid B and resid 58 and name hg1#) (segid B and resid 58 and name ha) 2.5 0.7 1.7
assign (segid B and resid 58 and name hg1#) (segid B and resid 58 and name hb) 2.5 0.7 1.7
assign (segid B and resid 58 and name hg2#) (segid B and resid 58 and name ha) 2.5 0.7 1.7
assign (segid B and resid 58 and name hg2#) (segid B and resid 58 and name hb) 2.5 0.7 1.7

!Gln-59
assign (segid B and resid 59 and name hn) (segid B and resid 59 and name ha) 2.5 0.7 0.4
assign (segid B and resid 59 and name hn) (segid B and resid 59 and name hb1) 2.5 0.7 0.4
assign (segid B and resid 59 and name hn) (segid B and resid 59 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 59 and name ha) (segid B and resid 59 and name hb1) 4.0 1.7 1.0
assign (segid B and resid 59 and name ha) (segid B and resid 59 and name hb2) 2.5 0.7 0.2

!Arg-60
assign (segid B and resid 60 and name hn) (segid B and resid 60 and name ha) 2.5 0.7 0.4

!Val-61
assign (segid B and resid 61 and name hn) (segid B and resid 61 and name hb) 3.0 1.2 0.4
assign (segid B and resid 61 and name ha) (segid B and resid 61 and name hb) 2.5 0.7 0.2


!Val-62
assign (segid B and resid 62 and name hn) (segid B and resid 62 and name ha) 3.0 1.2 0.5
assign (segid B and resid 62 and name hn) (segid B and resid 62 and name hb) 2.5 0.7 0.4
assign (segid B and resid 62 and name ha) (segid B and resid 62 and name hb) 3.0 1.2 0.3

!Glu-63
assign (segid B and resid 63 and name hn) (segid B and resid 63 and name ha) 3.0 1.2 0.5
assign (segid B and resid 63 and name ha) (segid B and resid 63 and name hb#) 3.0 1.2 1.3

!Lys-64
assign (segid B and resid 64 and name hn) (segid B and resid 64 and name ha) 2.5 0.7 0.4
assign (segid B and resid 64 and name hn) (segid B and resid 64 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 64 and name ha) (segid B and resid 64 and name hb1) 4.0 1.7 1.0

!Phe-65 
assign (segid B and resid 65 and name hn) (segid B and resid 65 and name ha) 2.5 0.7 0.4
assign (segid B and resid 65 and name hn) (segid B and resid 65 and name hb1) 2.5 0.7 0.4
assign (segid B and resid 65 and name hn) (segid B and resid 65 and name hb2) 2.5 0.7 0.4
assign (segid B and resid 65 and name ha) (segid B and resid 65 and name hb1) 2.5 0.7 0.2
assign (segid B and resid 65 and name ha) (segid B and resid 65 and name hb2) 2.5 0.7 0.2
assign (segid B and resid 65 and name hd1) (segid B and resid 65 and name ha) 2.5 0.7 0.2
assign (segid B and resid 65 and name hd1) (segid B and resid 65 and name hb2) 2.5 0.7 0.2
assign (segid B and resid 65 and name hd2) (segid B and resid 65 and name hb1) 2.5 0.7 0.2

!Leu-66
assign (segid B and resid 66 and name hn) (segid B and resid 66 and name ha) 2.5 0.7 0.4
assign (segid B and resid 66 and name hn) (segid B and resid 66 and name hb#) 2.5 0.7 1.9
assign (segid B and resid 66 and name ha) (segid B and resid 66 and name hb#) 3.0 1.2 1.8

!Lys-67
assign (segid B and resid 67 and name hn) (segid B and resid 67 and name ha) 2.5 0.7 0.4

!Arg-68
assign (segid B and resid 68 and name hn) (segid B and resid 68 and name ha) 2.5 0.7 0.4
assign (segid B and resid 68 and name hn) (segid B and resid 68 and name hb1) 3.0 1.2 0.5
assign (segid B and resid 68 and name hn) (segid B and resid 68 and name hb2) 2.5 0.7 0.4

!Ala-69
assign (segid B and resid 69 and name hn) (segid B and resid 69 and name ha) 2.5 0.7 0.4

!Glu-70
assign (segid B and resid 70 and name hn) (segid B and resid 70 and name ha) 2.5 0.7 0.4
assign (segid B and resid 70 and name hn) (segid B and resid 70 and name hb1) 3.0 1.2 0.5
assign (segid B and resid 70 and name hn) (segid B and resid 70 and name hb2) 2.5 0.7 0.4

!Asn-71
assign (segid B and resid 71 and name hn) (segid B and resid 71 and name ha) 3.0 1.2 0.5
assign (segid B and resid 71 and name hn) (segid B and resid 71 and name hb2) 3.0 1.2 0.5
assign (segid B and resid 71 and name hn) (segid B and resid 71 and name hb1) 2.5 0.7 0.4
assign (segid B and resid 71 and name ha) (segid B and resid 71 and name hb2) 2.5 0.7 0.2
assign (segid B and resid 71 and name ha) (segid B and resid 71 and name hb1) 4.0 1.7 1.0

!Ser-72
assign (segid B and resid 72 and name hn) (segid B and resid 72 and name ha) 2.5 0.7 0.4
assign (segid B and resid 72 and name hn) (segid B and resid 72 and name hb#) 3.0 1.2 1.5
assign (segid B and resid 72 and name ha) (segid B and resid 72 and name hb#) 2.5 0.7 0.9




!A.4.1 Hbonds: intramonomer A
assign (segid A and resid   51 and  name N    )(segid A and resid   39 and  name O    ) 2.8 0.4 0.5
assign (segid A and resid   41 and  name N    )(segid A and resid   49 and  name O    ) 2.8 0.4 0.5
assign (segid A and resid   49 and  name N    )(segid A and resid   41 and  name O    ) 2.8 0.4 0.5
assign (segid A and resid   43 and  name N    )(segid A and resid   47 and  name O    ) 2.8 0.4 0.5
assign (segid A and resid   30 and  name N    )(segid A and resid   36 and  name O    ) 2.8 0.4 0.5
assign (segid A and resid   38 and  name N    )(segid A and resid   28 and  name O    ) 2.8 0.4 0.5
assign (segid A and resid   28 and  name N    )(segid A and resid   38 and  name O    ) 2.8 0.4 0.5
assign (segid A and resid   40 and  name N    )(segid A and resid   26 and  name O    ) 2.8 0.4 0.5
assign (segid A and resid   26 and  name N    )(segid A and resid   40 and  name O    ) 2.8 0.4 0.5
assign (segid A and resid   42 and  name N    )(segid A and resid   24 and  name O    ) 2.8 0.4 0.5
assign (segid A and resid   24 and  name N    )(segid A and resid   42 and  name O    ) 2.8 0.4 0.5
assign (segid A and resid   23 and  name N    )(segid A and resid   42 and  name O    ) 2.8 0.4 0.5
assign (segid A and resid   51 and  name HN   )(segid A and resid   39 and  name O    ) 1.8 0.3 0.5
assign (segid A and resid   41 and  name HN   )(segid A and resid   49 and  name O    ) 1.8 0.3 0.5
assign (segid A and resid   49 and  name HN   )(segid A and resid   41 and  name O    ) 1.8 0.3 0.5
assign (segid A and resid   43 and  name HN   )(segid A and resid   47 and  name O    ) 1.8 0.3 0.5
assign (segid A and resid   30 and  name HN   )(segid A and resid   36 and  name O    ) 1.8 0.3 0.5
assign (segid A and resid   38 and  name HN   )(segid A and resid   28 and  name O    ) 1.8 0.3 0.5
assign (segid A and resid   28 and  name HN   )(segid A and resid   38 and  name O    ) 1.8 0.3 0.5
assign (segid A and resid   40 and  name HN   )(segid A and resid   26 and  name O    ) 1.8 0.3 0.5
assign (segid A and resid   26 and  name HN   )(segid A and resid   40 and  name O    ) 1.8 0.3 0.5
assign (segid A and resid   42 and  name HN   )(segid A and resid   24 and  name O    ) 1.8 0.3 0.5
assign (segid A and resid   24 and  name HN   )(segid A and resid   42 and  name O    ) 1.8 0.3 0.5
assign (segid A and resid   23 and  name HN   )(segid A and resid   42 and  name O    ) 1.8 0.3 0.5


assign (segid A and resid 46 and name n) (segid A and resid 43 and name o) 2.8 0.4 0.5
assign (segid A and resid 47 and name n) (segid A and resid 43 and name o) 2.8 0.4 0.5
assign (segid A and resid 22 and name n) (segid A and resid 19 and name o) 2.8 0.4 0.5
assign (segid A and resid 44 and name n) (segid A and resid 21 and name o) 2.8 0.4 0.5

assign (segid A and resid 55 and name o) (segid A and resid 58 and name n) 2.8 0.4 0.5
assign (segid A and resid 55 and name o) (segid A and resid 59 and name n) 2.8 0.4 0.5
assign (segid A and resid 56 and name o) (segid A and resid 60 and name n) 2.8 0.4 0.5
assign (segid A and resid 57 and name o) (segid A and resid 61 and name n) 2.8 0.4 0.5
assign (segid A and resid 58 and name o) (segid A and resid 62 and name n) 2.8 0.4 0.5
assign (segid A and resid 59 and name o) (segid A and resid 63 and name n) 2.8 0.4 0.5
assign (segid A and resid 60 and name o) (segid A and resid 64 and name n) 2.8 0.4 0.5
assign (segid A and resid 61 and name o) (segid A and resid 65 and name n) 2.8 0.4 0.5
assign (segid A and resid 62 and name o) (segid A and resid 66 and name n) 2.8 0.4 0.5
assign (segid A and resid 63 and name o) (segid A and resid 67 and name n) 2.8 0.4 0.5

assign (segid A and resid 46 and name hn) (segid A and resid 43 and name o) 1.8 0.3 0.5
assign (segid A and resid 47 and name hn) (segid A and resid 43 and name o) 1.8 0.3 0.5
assign (segid A and resid 22 and name hn) (segid A and resid 19 and name o) 1.8 0.3 0.5
assign (segid A and resid 44 and name hn) (segid A and resid 21 and name o) 1.8 0.3 0.5

assign (segid A and resid 55 and name o) (segid A and resid 58 and name hn) 1.8 0.3 0.5
assign (segid A and resid 55 and name o) (segid A and resid 59 and name hn) 1.8 0.3 0.5
assign (segid A and resid 56 and name o) (segid A and resid 60 and name hn) 1.8 0.3 0.5
assign (segid A and resid 57 and name o) (segid A and resid 61 and name hn) 1.8 0.3 0.5
assign (segid A and resid 58 and name o) (segid A and resid 62 and name hn) 1.8 0.3 0.5
assign (segid A and resid 59 and name o) (segid A and resid 63 and name hn) 1.8 0.3 0.5
assign (segid A and resid 60 and name o) (segid A and resid 64 and name hn) 1.8 0.3 0.5
assign (segid A and resid 61 and name o) (segid A and resid 65 and name hn) 1.8 0.3 0.5
assign (segid A and resid 62 and name o) (segid A and resid 66 and name hn) 1.8 0.3 0.5
assign (segid A and resid 63 and name o) (segid A and resid 67 and name hn) 1.8 0.3 0.5


assign (segid A and resid 31 and name n) (segid A and resid 34 and name o) 2.8 0.4 0.5
assign (segid A and resid 31 and name hn) (segid A and resid 34 and name o) 1.8 0.1 0.5
assign (segid A and resid 52 and name o) (segid A and resid 55 and name n) 2.8 0.4 0.5
assign (segid A and resid 52 and name o) (segid A and resid 55 and name hn) 1.8 0.3 0.5



!A.4.2 Hbonds: intramonomer B
assign (segid B and resid   51 and  name N    )(segid B and resid   39 and  name O    ) 2.8 0.4 0.5
assign (segid B and resid   41 and  name N    )(segid B and resid   49 and  name O    ) 2.8 0.4 0.5
assign (segid B and resid   49 and  name N    )(segid B and resid   41 and  name O    ) 2.8 0.4 0.5
assign (segid B and resid   43 and  name N    )(segid B and resid   47 and  name O    ) 2.8 0.4 0.5
assign (segid B and resid   30 and  name N    )(segid B and resid   36 and  name O    ) 2.8 0.4 0.5
assign (segid B and resid   38 and  name N    )(segid B and resid   28 and  name O    ) 2.8 0.4 0.5
assign (segid B and resid   28 and  name N    )(segid B and resid   38 and  name O    ) 2.8 0.4 0.5
assign (segid B and resid   40 and  name N    )(segid B and resid   26 and  name O    ) 2.8 0.4 0.5
assign (segid B and resid   26 and  name N    )(segid B and resid   40 and  name O    ) 2.8 0.4 0.5
assign (segid B and resid   42 and  name N    )(segid B and resid   24 and  name O    ) 2.8 0.4 0.5
assign (segid B and resid   24 and  name N    )(segid B and resid   42 and  name O    ) 2.8 0.4 0.5
assign (segid B and resid   23 and  name N    )(segid B and resid   42 and  name O    ) 2.8 0.4 0.5
assign (segid B and resid   51 and  name HN   )(segid B and resid   39 and  name O    ) 1.8 0.3 0.5
assign (segid B and resid   41 and  name HN   )(segid B and resid   49 and  name O    ) 1.8 0.3 0.5
assign (segid B and resid   49 and  name HN   )(segid B and resid   41 and  name O    ) 1.8 0.3 0.5
assign (segid B and resid   43 and  name HN   )(segid B and resid   47 and  name O    ) 1.8 0.3 0.5
assign (segid B and resid   30 and  name HN   )(segid B and resid   36 and  name O    ) 1.8 0.3 0.5
assign (segid B and resid   38 and  name HN   )(segid B and resid   28 and  name O    ) 1.8 0.3 0.5
assign (segid B and resid   28 and  name HN   )(segid B and resid   38 and  name O    ) 1.8 0.3 0.5
assign (segid B and resid   40 and  name HN   )(segid B and resid   26 and  name O    ) 1.8 0.3 0.5
assign (segid B and resid   26 and  name HN   )(segid B and resid   40 and  name O    ) 1.8 0.3 0.5
assign (segid B and resid   42 and  name HN   )(segid B and resid   24 and  name O    ) 1.8 0.3 0.5
assign (segid B and resid   24 and  name HN   )(segid B and resid   42 and  name O    ) 1.8 0.3 0.5
assign (segid B and resid   23 and  name HN   )(segid B and resid   42 and  name O    ) 1.8 0.3 0.5


assign (segid B and resid 46 and name n) (segid B and resid 43 and name o) 2.8 0.4 0.5
assign (segid B and resid 47 and name n) (segid B and resid 43 and name o) 2.8 0.4 0.5
assign (segid B and resid 22 and name n) (segid B and resid 19 and name o) 2.8 0.4 0.5
assign (segid B and resid 44 and name n) (segid B and resid 21 and name o) 2.8 0.4 0.5

assign (segid B and resid 55 and name o) (segid B and resid 58 and name n) 2.8 0.4 0.5
assign (segid B and resid 55 and name o) (segid B and resid 59 and name n) 2.8 0.4 0.5
assign (segid B and resid 56 and name o) (segid B and resid 60 and name n) 2.8 0.4 0.5
assign (segid B and resid 57 and name o) (segid B and resid 61 and name n) 2.8 0.4 0.5
assign (segid B and resid 58 and name o) (segid B and resid 62 and name n) 2.8 0.4 0.5
assign (segid B and resid 59 and name o) (segid B and resid 63 and name n) 2.8 0.4 0.5
assign (segid B and resid 60 and name o) (segid B and resid 64 and name n) 2.8 0.4 0.5
assign (segid B and resid 61 and name o) (segid B and resid 65 and name n) 2.8 0.4 0.5
assign (segid B and resid 62 and name o) (segid B and resid 66 and name n) 2.8 0.4 0.5
assign (segid B and resid 63 and name o) (segid B and resid 67 and name n) 2.8 0.4 0.5


assign (segid B and resid 46 and name hn) (segid B and resid 43 and name o) 1.8 0.3 0.5
assign (segid B and resid 47 and name hn) (segid B and resid 43 and name o) 1.8 0.3 0.5
assign (segid B and resid 22 and name hn) (segid B and resid 19 and name o) 1.8 0.3 0.5
assign (segid B and resid 44 and name hn) (segid B and resid 21 and name o) 1.8 0.3 0.5

assign (segid B and resid 55 and name o) (segid B and resid 58 and name hn) 1.8 0.3 0.5
assign (segid B and resid 55 and name o) (segid B and resid 59 and name hn) 1.8 0.3 0.5
assign (segid B and resid 56 and name o) (segid B and resid 60 and name hn) 1.8 0.3 0.5
assign (segid B and resid 57 and name o) (segid B and resid 61 and name hn) 1.8 0.3 0.5
assign (segid B and resid 58 and name o) (segid B and resid 62 and name hn) 1.8 0.3 0.5
assign (segid B and resid 59 and name o) (segid B and resid 63 and name hn) 1.8 0.3 0.5
assign (segid B and resid 60 and name o) (segid B and resid 64 and name hn) 1.8 0.3 0.5
assign (segid B and resid 61 and name o) (segid B and resid 65 and name hn) 1.8 0.3 0.5
assign (segid B and resid 62 and name o) (segid B and resid 66 and name hn) 1.8 0.3 0.5
assign (segid B and resid 63 and name o) (segid B and resid 67 and name hn) 1.8 0.3 0.5


assign (segid B and resid 31 and name n) (segid B and resid 34 and name o) 2.8 0.4 0.5
assign (segid B and resid 31 and name hn) (segid B and resid 34 and name o) 1.8 0.1 0.5
assign (segid B and resid 52 and name o) (segid B and resid 55 and name n) 2.8 0.4 0.5
assign (segid B and resid 52 and name o) (segid B and resid 55 and name hn) 1.8 0.3 0.5



! B. INTERMONOMER NOEs (Dimer contacts)

!NH(i)-NH(j)
assign (segid A and resid 25 and name hn) (segid B and resid 27 and name hn) 3.0 1.2 0.5
assign (segid B and resid 25 and name hn) (segid A and resid 27 and name hn) 3.0 1.2 0.5

assign (segid A and resid 25 and name hn) (segid B and resid 29 and name hn) 4.0 1.2 1.0
assign (segid B and resid 25 and name hn) (segid A and resid 29 and name hn) 4.0 1.2 1.0

!CaH(i)-CaH(j)
assign (segid A and resid 24 and name ha) (segid B and resid 28 and name ha) 2.5 0.7 0.2
assign (segid B and resid 24 and name ha) (segid A and resid 28 and name ha) 2.5 0.7 0.2

!CaH(i)-NH(j)
assign (segid A and resid 23 and name ha) (segid B and resid 29 and name hn) 4.0 1.7 1.0
assign (segid B and resid 23 and name ha) (segid A and resid 29 and name hn) 4.0 1.7 1.0

assign (segid A and resid 24 and name ha) (segid B and resid 27 and name hn) 4.0 1.7 1.0
assign (segid B and resid 24 and name ha) (segid A and resid 27 and name hn) 4.0 1.7 1.0

assign (segid A and resid 24 and name ha) (segid B and resid 29 and name hn) 4.0 1.7 1.0
assign (segid B and resid 24 and name ha) (segid A and resid 29 and name hn) 4.0 1.7 1.0

assign (segid A and resid 26 and name ha) (segid B and resid 25 and name hn) 4.0 1.7 1.0
assign (segid B and resid 26 and name ha) (segid A and resid 25 and name hn) 4.0 1.7 1.0

!CaH(i)-NH(j)
assign (segid A and resid 23 and name ha) (segid B and resid 29 and name hn) 4.0 1.7 1.0
assign (segid B and resid 23 and name ha) (segid A and resid 29 and name hn) 4.0 1.7 1.0

assign (segid A and resid 24 and name ha) (segid B and resid 27 and name hn) 4.0 1.7 1.0
assign (segid B and resid 24 and name ha) (segid A and resid 27 and name hn) 4.0 1.7 1.0

assign (segid A and resid 24 and name ha) (segid B and resid 29 and name hn) 3.0 1.2 0.5
assign (segid B and resid 24 and name ha) (segid A and resid 29 and name hn) 3.0 1.2 0.5

assign (segid A and resid 26 and name ha) (segid B and resid 25 and name hn) 4.0 1.7 1.0
assign (segid B and resid 26 and name ha) (segid A and resid 25 and name hn) 4.0 1.7 1.0

!NH(i)-CbH(j)
assign (segid A and resid 25 and name hn) (segid B and resid 27 and name hb) 3.0 1.2 0.5
assign (segid B and resid 25 and name hn) (segid A and resid 27 and name hb) 3.0 1.2 0.5


!Glu-24
assign (segid A and resid 24 and name ha) (segid B and resid 28 and name hg2#) 3.0 1.2 1.8
assign (segid B and resid 24 and name ha) (segid A and resid 28 and name hg2#) 3.0 1.2 1.8

assign (segid A and resid 24 and name ha) (segid B and resid 28 and name hg1#) 4.0 1.7 2.0
assign (segid B and resid 24 and name ha) (segid A and resid 28 and name hg1#) 4.0 1.7 2.0

!Phe-65 HZ
assign (segid A and resid 65 and name hz) (segid B and resid 27 and name hg1#) 3.0 1.2 1.8
assign (segid B and resid 65 and name hz) (segid A and resid 27 and name hg1#) 3.0 1.2 1.8

assign (segid A and resid 65 and name hz) (segid B and resid 27 and name hg2#) 4.0 1.7 2.5
assign (segid B and resid 65 and name hz) (segid A and resid 27 and name hg2#) 4.0 1.7 2.5

assign (segid A and resid 65 and name hz) (segid B and resid 28 and name ha) 3.0 1.2 0.3
assign (segid B and resid 65 and name hz) (segid A and resid 28 and name ha) 3.0 1.2 0.3

assign (segid A and resid 65 and name hz) (segid B and resid 28 and name hg1#) 4.0 1.7 2.0
assign (segid B and resid 65 and name hz) (segid A and resid 28 and name hg1#) 4.0 1.7 2.0

assign (segid A and resid 65 and name hz) (segid B and resid 29 and name hn) 3.0 1.2 0.5
assign (segid B and resid 65 and name hz) (segid A and resid 29 and name hn) 3.0 1.2 0.5

assign (segid A and resid 65 and name hz) (segid B and resid 29 and name ha) 4.0 1.7 1.0
assign (segid B and resid 65 and name hz) (segid A and resid 29 and name ha) 4.0 1.7 1.0

assign (segid A and resid 65 and name hz) (segid B and resid 29 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 65 and name hz) (segid A and resid 29 and name hb1) 3.0 1.2 0.3

assign (segid A and resid 65 and name hz) (segid B and resid 29 and name hb2) 2.5 0.7 0.2
assign (segid B and resid 65 and name hz) (segid A and resid 29 and name hb2) 2.5 0.7 0.2



!Phe-65 HE#
assign (segid A and resid 65 and name he2) (segid B and resid 27 and name hn) 4.0 1.7 1.0
assign (segid B and resid 65 and name he2) (segid A and resid 27 and name hn) 4.0 1.7 1.0

assign (segid A and resid 65 and name he2) (segid B and resid 27 and name hb) 2.5 0.7 0.2
assign (segid B and resid 65 and name he2) (segid A and resid 27 and name hb) 2.5 0.7 0.2

assign (segid A and resid 65 and name he2) (segid B and resid 27 and name hg1#) 2.5 0.7 1.7
assign (segid B and resid 65 and name he2) (segid A and resid 27 and name hg1#) 2.5 0.7 1.7

assign (segid A and resid 65 and name he2) (segid B and resid 27 and name hg2#) 4.0 1.7 2.5
assign (segid B and resid 65 and name he2) (segid A and resid 27 and name hg2#) 4.0 1.7 2.5

assign (segid A and resid 65 and name he1) (segid B and resid 29 and name hn) 4.0 1.7 1.0
assign (segid B and resid 65 and name he1) (segid A and resid 29 and name hn) 4.0 1.7 1.0

assign (segid A and resid 65 and name he1) (segid B and resid 29 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 65 and name he1) (segid A and resid 29 and name hb1) 3.0 1.2 0.3

assign (segid A and resid 65 and name he1) (segid B and resid 29 and name hb2) 3.0 1.2 0.3
assign (segid B and resid 65 and name he1) (segid A and resid 29 and name hb2) 3.0 1.2 0.3

!Others
assign (segid A and resid 23 and name ha) (segid B and resid 29 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 23 and name ha) (segid A and resid 29 and name hb1) 3.0 1.2 0.3

assign (segid A and resid 27 and name hb) (segid B and resid 25 and name hb1) 3.0 1.2 0.3
assign (segid B and resid 27 and name hb) (segid A and resid 25 and name hb1) 3.0 1.2 0.3


assign (segid A and resid 27 and name hb) (segid B and resid 25 and name hb2) 3.0 1.2 0.3
assign (segid B and resid 27 and name hb) (segid A and resid 25 and name hb2) 3.0 1.2 0.3


assign (segid A and resid 27 and name hb) (segid B and resid 25 and name hd2#) 3.0 1.2 1.8
assign (segid B and resid 27 and name hb) (segid A and resid 25 and name hd2#) 3.0 1.2 1.8


assign (segid A and resid 69 and name ha) (segid B and resid 37 and name hg2#) 4.0 1.7 2.5
assign (segid B and resid 69 and name ha) (segid A and resid 37 and name hg2#) 4.0 1.7 2.5


assign (segid A and resid 69 and name hb#) (segid B and resid 37 and name hg2#) 2.5 0.7 3.2
assign (segid B and resid 69 and name hb#) (segid A and resid 37 and name hg2#) 2.5 0.7 3.2


!B Dimer hbonds
!n-o distances
assign (segid A and resid 29 and name n) (segid B and resid 23 and name o) 2.8 0.4 0.5 
assign (segid B and resid 29 and name n) (segid A and resid 23 and name o) 2.8 0.4 0.5 

assign (segid A and resid 25 and name n) (segid B and resid 27 and name o) 2.8 0.4 0.5 
assign (segid B and resid 25 and name n) (segid A and resid 27 and name o) 2.8 0.4 0.5 

assign (segid A and resid 27 and name n) (segid B and resid 25 and name o) 2.8 0.4 0.5 
assign (segid B and resid 27 and name n) (segid A and resid 25 and name o) 2.8 0.4 0.5 

!hn-o distances
assign (segid A and resid 29 and name hn) (segid B and resid 23 and name o) 1.8 0.3 0.5
assign (segid B and resid 29 and name hn) (segid A and resid 23 and name o) 1.8 0.3 0.5

assign (segid A and resid 25 and name hn) (segid B and resid 27 and name o) 1.8 0.3 0.5
assign (segid B and resid 25 and name hn) (segid A and resid 27 and name o) 1.8 0.3 0.5

assign (segid A and resid 27 and name hn) (segid B and resid 25 and name o) 1.8 0.3 0.5
assign (segid B and resid 27 and name hn) (segid A and resid 25 and name o) 1.8 0.3 0.5




*END


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