*HEADER    HORMONE/GROWTH FACTOR                   23-AUG-01   1JU8              
*TITLE     SOLUTION STRUCTURE OF LEGINSULIN, A PLANT HORMON                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LEGINSULIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-37;                                             
*COMPND   5 SYNONYM: ALBUMIN 1;                                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN LEGUMES             
*SOURCE   4 OF GLYCINE MAX.                                                      
*KEYWDS    T-KNOT                                                                
*EXPDTA    NMR                                                                   
*AUTHOR    T.YAMAZAKI, M.TAKAOKA, E.KATOH, K.HANADA, M.SAKITA,                   
*AUTHOR   2 K.SAKATA, Y.NISHIUCHI, H.HIRANO                                      
*REVDAT   1   17-JUN-03 1JU8    0                                                

!A1 
assign  (resid   1 and name ha)(resid   1 and name hb#)  2.0 0.2 4.5


!D2  kay1=g-
!!sequential
assign  (resid   2 and name hn)(resid   1 and name ha)  2.0 0.2 0.7
assign  (resid   2 and name hn)(resid   1 and name hb#)  2.0 0.2 2.5
assign  (resid   2 and name hn)(resid   3 and name hn)  2.0 0.2 2.0
!!intra residue
assign  (resid   2 and name hn)(resid   2 and name hb1)  2.0 0.2 2.5
assign  (resid   2 and name hn)(resid   2 and name hb2)  2.0 0.2 0.7
!assign  (resid   2 and name hn)(resid   2 and name ha)  2.0 0.2 3.0
assign  (resid   2 and name ha)(resid   2 and name hb1)  2.0 0.2 0.7
assign  (resid   2 and name ha)(resid   2 and name hb2)  2.0 0.2 2.0


!C3  kay1=t
!!intra residue
assign  (resid   3 and name hn)(resid   3 and name hb1)  2.0 0.2 0.7
assign  (resid   3 and name hn)(resid   3 and name hb2)  2.0 0.2 2.0
assign  (resid   3 and name ha)(resid   3 and name hb1)  2.0 0.2 2.0
assign  (resid   3 and name ha)(resid   3 and name hb2)  2.0 0.2 0.7
!!sequential
assign  (resid   3 and name hn)(resid   4 and name hn)  2.0 0.2 2.5
!assign  (resid   3 and name hn)(resid   2 and name ha)  2.0 0.2 0.7
assign  (resid   3 and name hn)(resid   2 and name hb1)  2.0 0.2 1.5
assign  (resid   3 and name hb2)(resid   2 and name hb2)  2.0 0.2 3.0
!!medium rage
assign  (resid   3 and name hn)(resid   1 and name hb#)  2.0 0.2 4.5
!assign  (resid   3 and name hn)(resid  30 and name ha#)  2.0 0.2 4.5


!N4
!!intra residue
assign  (resid   4 and name hn)(resid   4 and name ha)  2.0 0.2 1.5
assign  (resid   4 and name hn)(resid   4 and name hb#)  2.0 0.2 2.2
assign  (resid   4 and name ha)(resid   4 and name hb#)  2.0 0.2 2.2
assign  (resid   4 and name hd21)(resid   4 and name hb#)  2.0 0.2 4.5
assign  (resid   4 and name hd22)(resid   4 and name hb#)  2.0 0.2 2.0
!!sequential
assign  (resid   4 and name hn)(resid   3 and name ha)  2.0 0.2 0.5
assign  (resid   4 and name hn)(resid   3 and name hb1)  2.0 0.2 3.0
assign  (resid   4 and name hn)(resid   3 and name hb2)  2.0 0.2 3.0
assign  (resid   4 and name hn)(resid   2 and name hb2)  2.0 0.2 4.0
!!long range
assign  (resid   4 and name hn)(resid  15 and name hb1)  2.0 0.2 3.0
assign  (resid   4 and name hn)(resid  15 and name hb2)  2.0 0.2 3.0
!assign  (resid   4 and name ha)(resid  31 and name hb#)  2.0 0.2 4.5
assign  (resid   4 and name ha)(resid  32 and name hb#)  2.0 0.2 4.5

!G5
!!intra residue
assign  (resid   5 and name hn)(resid   5 and name ha1)  2.0 0.2 2.0  !(323K data)
assign  (resid   5 and name hn)(resid   5 and name ha2)  2.0 0.2 1.5  !(323K data)
!!sequential
assign  (resid   5 and name hn)(resid   4 and name hb#)  2.0 0.2 4.5  !(10% data)
assign  (resid   5 and name hn)(resid   4 and name ha)  2.0 0.2 1.5  !(+C7a)
assign  (resid   5 and name ha#)(resid   4 and name ha)  2.0 0.2 4.5 
assign  (resid   5 and name ha#)(resid   4 and name hb#)  2.0 0.2 4.5
!!long range
assign  (resid   5 and name hn)(resid   32 and name hn)  2.0 0.2 3.0


!A6
!!intra residue
assign  (resid   6 and name hn)(resid   6 and name ha)  2.0 0.2 1.5
assign  (resid   6 and name hn)(resid   6 and name hb#)  2.0 0.2 2.0
!!sequential
assign  (resid   6 and name hn)(resid   5 and name hn)  2.0 0.2 3.0
assign  (resid   6 and name hn)(resid   5 and name ha1)  2.0 0.2 0.7
assign  (resid   6 and name hn)(resid   5 and name ha2)  2.0 0.2 0.7
!!medium rage
assign  (resid   6 and name hn)(resid   4 and name hb#)  2.0 0.2 4.5
!!long range
assign  (resid   6 and name ha)(resid   31 and name ha)  2.0 0.2 0.7
assign  (resid   6 and name ha)(resid   31 and name hb1)  2.0 0.2 1.2
assign  (resid   6 and name ha)(resid   31 and name hb2)  2.0 0.2 2.5
!assign  (resid   6 and name hb#)(resid  22 and name ha)  2.0 0.2 5.0

!C7
!!intra residue
assign  (resid   7 and name hn)(resid   7 and name hb1)  2.0 0.2 1.5
assign  (resid   7 and name hn)(resid   7 and name hb2)  2.0 0.2 2.2
assign  (resid   7 and name ha)(resid   7 and name hb1)  2.0 0.2 0.7
assign  (resid   7 and name ha)(resid   7 and name hb2)  2.0 0.2 0.7
!!sequential
assign  (resid   7 and name hn)(resid   6 and name ha)  2.0 0.2 0.7
assign  (resid   7 and name hn)(resid   6 and name hb#)  2.0 0.2 2.5
!!medium rage
!!long range
assign  (resid   7 and name hn)(resid  29 and name hg2#)  2.0 0.2 4.5
assign  (resid   7 and name hn)(resid  30 and name hn)  2.0 0.2 1.5
assign  (resid   7 and name hn)(resid  30 and name ha1)  2.0 0.2 3.0
assign  (resid   7 and name hn)(resid  31 and name ha)  2.0 0.2 1.2
assign  (resid   7 and name hn)(resid  31 and name hb1)  2.0 0.2 2.0
assign  (resid   7 and name hn)(resid  31 and name hb2)  2.0 0.2 3.0
assign  (resid   7 and name hn)(resid  32 and name hn)  2.0 0.2 3.0
assign  (resid   7 and name hb1)(resid  31 and name ha)  2.0 0.2 3.0

!S8
!!intra residue
assign  (resid   8 and name hn)(resid   8 and name ha)  2.0 0.2 1.5
assign  (resid   8 and name hn)(resid   8 and name hb1)  2.0 0.2 1.5
assign  (resid   8 and name hn)(resid   8 and name hb2)  2.0 0.2 2.2
assign  (resid   8 and name ha)(resid   8 and name hb1)  2.0 0.2 0.7
assign  (resid   8 and name ha)(resid   8 and name hb2)  2.0 0.2 0.7
!!sequential
assign  (resid   8 and name hn)(resid   7 and name ha)  2.0 0.2 0.7
assign  (resid   8 and name hn)(resid   7 and name hb1)  2.0 0.2 3.0
assign  (resid   8 and name hb1)(resid   7 and name ha)  2.0 0.2 3.0
!assign  (resid   8 and name hb1)(resid   7 and name hb2)  2.0 0.2 3.0
assign  (resid   8 and name hn)(resid   7 and name hb2)  2.0 0.2 1.2
assign  (resid   8 and name ha)(resid   9 and name hd#)  2.0 0.2 2.0
assign  (resid   8 and name hb2)(resid   9 and name hd#)  2.0 0.2 4.5
!!medium rage
assign  (resid   8 and name hb1)(resid  11 and name hg#)  2.0 0.2 4.5
assign  (resid   8 and name hb1)(resid  11 and name hb1)  2.0 0.2 1.5
assign  (resid   8 and name hb1)(resid  11 and name hb2)  2.0 0.2 3.0
assign  (resid   8 and name hb2)(resid  11 and name hb1)  2.0 0.2 3.0
!assign  (resid   8 and name hb1)(resid  12 and name hg#)  2.0 0.2 4.5
!!long range

!P9
!!intra residue
assign  (resid   9 and name ha)(resid   9 and name hb1)  2.0 0.2 1.5
assign  (resid   9 and name ha)(resid   9 and name hb2)  2.0 0.2 3.0
assign  (resid   9 and name ha)(resid   9 and name hg1)  2.0 0.2 3.0
assign  (resid   9 and name ha)(resid   9 and name hg2)  2.0 0.2 3.0
assign  (resid   9 and name ha)(resid   9 and name hd#)  2.0 0.2 4.5
assign  (resid   9 and name hb2)(resid   9 and name hg2)  2.0 0.2 1.5
assign  (resid   9 and name hb2)(resid   9 and name hd#)  2.0 0.2 4.5
assign  (resid   9 and name hg2)(resid   9 and name hb1)  2.0 0.2 3.0
assign  (resid   9 and name hg2)(resid   9 and name hd#)  2.0 0.2 3.0
assign  (resid   9 and name hd#)(resid   9 and name hb1)  2.0 0.2 3.0
!!sequential
assign  (resid   9 and name ha)(resid   8 and name ha)  2.0 0.2 3.0
assign  (resid   9 and name hd#)(resid   8 and name ha)  2.0 0.2 2.0
!assign  (resid   9 and name hd#)(resid   8 and name hb2)  2.0 0.2 3.0
!!medium rage
assign  (resid   9 and name hd#)(resid   7 and name ha)  2.0 0.2 4.5
assign  (resid   9 and name hd#)(resid  11 and name ha)  2.0 0.2 4.5
assign  (resid   9 and name hd#)(resid  11 and name hg#)  2.0 0.2 4.5
!!long range
assign  (resid   9 and name hd#)(resid  29 and name ha)  2.0 0.2 4.5

!F10 kay1=g-
!!intra residue
assign  (resid  10 and name hn)(resid  10 and name ha)  2.0 0.2 1.5
assign  (resid  10 and name hn)(resid  10 and name hb1)  2.0 0.2 2.2
assign  (resid  10 and name hn)(resid  10 and name hb2)  2.0 0.2 0.7
assign  (resid  10 and name hn)(resid  10 and name hd2)  2.0 0.2 1.5
assign  (resid  10 and name ha)(resid  10 and name hb1)  2.0 0.2 0.7
assign  (resid  10 and name ha)(resid  10 and name hb2)  2.0 0.2 2.0
assign  (resid  10 and name hd1)(resid  10 and name ha)  2.0 0.2 1.5
assign  (resid  10 and name hd2)(resid  10 and name ha)  2.0 0.2 3.0
assign  (resid  10 and name hd1)(resid  10 and name hb1)  2.0 0.2 0.7
assign  (resid  10 and name hd1)(resid  10 and name hb2)  2.0 0.2 2.5
assign  (resid  10 and name hd2)(resid  10 and name hb2)  2.0 0.2 0.7
assign  (resid  10 and name hd2)(resid  10 and name hb1)  2.0 0.2 2.5
!!sequential
assign  (resid  10 and name hn)(resid   9 and name ha)  2.0 0.2 1.5
assign  (resid  10 and name hn)(resid   9 and name hb2)  2.0 0.2 3.0
assign  (resid  10 and name hn)(resid   9 and name hg1)  2.0 0.2 3.0
assign  (resid  10 and name hn)(resid   9 and name hd#)  2.0 0.2 3.5
assign  (resid  10 and name hd#)(resid   9 and name hd#)  2.0 0.2 6.5
assign  (resid  10 and name hn)(resid  11 and name hn)  2.0 0.2 0.7
assign  (resid  10 and name hn)(resid  11 and name hg#)  2.0 0.2 4.5
!!medium rage
assign  (resid  10 and name hn)(resid   8 and name ha)  2.0 0.2 3.0
assign  (resid  10 and name hn)(resid   8 and name hb1)  2.0 0.2 3.0
assign  (resid  10 and name hb2)(resid   8 and name hb1)  2.0 0.2 1.5
assign  (resid  10 and name hd#)(resid   8 and name ha)  2.0 0.2 5.0
!!long range

!E11 kay=t
!!intra residue
assign  (resid  11 and name hn)(resid  11 and name ha)  2.0 0.2 1.5
assign  (resid  11 and name hn)(resid  11 and name hb1)  2.0 0.2 0.7
assign  (resid  11 and name hn)(resid  11 and name hb2)  2.0 0.2 1.5
assign  (resid  11 and name hn)(resid  11 and name hg#)  2.0 0.2 3.0
assign  (resid  11 and name ha)(resid  11 and name hb1)  2.0 0.2 2.0
assign  (resid  11 and name ha)(resid  11 and name hb2)  2.0 0.2 0.7
assign  (resid  11 and name ha)(resid  11 and name hg#)  2.0 0.2 4.5
assign  (resid  11 and name hg#)(resid  11 and name hb1)  2.0 0.2 3.0
assign  (resid  11 and name hg#)(resid  11 and name hb2)  2.0 0.2 0.7
!!sequential
assign  (resid  11 and name hn)(resid  10 and name ha)  2.0 0.2 1.5
assign  (resid  11 and name hn)(resid  10 and name hb1)  2.0 0.2 1.5
assign  (resid  11 and name hn)(resid  10 and name hb2)  2.0 0.2 3.0
!!medium rage
assign  (resid  11 and name hn)(resid   8 and name hb1)  2.0 0.2 3.0
assign  (resid  11 and name hn)(resid   8 and name hb2)  2.0 0.2 1.5
assign  (resid  11 and name hg#)(resid   8 and name hb1)  2.0 0.2 3.0
assign  (resid  11 and name hg#)(resid   8 and name hb2)  2.0 0.2 4.5
assign  (resid  11 and name hn)(resid   9 and name ha)  2.0 0.2 1.5
!assign  (resid  11 and name hb2)(resid  13 and name hg2)  2.0 0.2 1.5
assign  (resid  11 and name hg#)(resid  13 and name ha)  2.0 0.2 4.5
assign  (resid  11 and name hg#)(resid  13 and name hd2)  2.0 0.2 4.5
!!long range

!V12
!!intra residue
assign  (resid  12 and name hn)(resid  12 and name hb)  2.0 0.2 1.5
assign  (resid  12 and name hn)(resid  12 and name hg1#)  2.0 0.2 4.0
assign  (resid  12 and name hn)(resid  12 and name hg2#)  2.0 0.2 4.0
assign  (resid  12 and name ha)(resid  12 and name hb)  2.0 0.2 3.0
assign  (resid  12 and name hg1#)(resid  12 and name hb)  2.0 0.2 2.7
assign  (resid  12 and name hg2#)(resid  12 and name hb)  2.0 0.2 2.7
!!sequential
assign  (resid  12 and name hn)(resid  11 and name ha)  2.0 0.2 0.5
assign  (resid  12 and name hn)(resid  11 and name hb2)  2.0 0.2 1.5
assign  (resid  12 and name hn)(resid  11 and name hg#)  2.0 0.2 3.0
assign  (resid  12 and name ha)(resid  13 and name ha)  2.0 0.2 0.5
assign  (resid  12 and name ha)(resid  13 and name hb1)  2.0 0.2 3.0
assign  (resid  12 and name hg#)(resid  13 and name ha)  2.0 0.2 5.0
!!medium rage
assign  (resid  12 and name ha)(resid  14 and name hd1)  2.0 0.2 1.5
assign  (resid  12 and name ha)(resid  14 and name hd2)  2.0 0.2 3.0
!!long range

!P13
!!intra residue
assign  (resid  13 and name ha)(resid  13 and name hb1)  2.0 0.2 1.5
assign  (resid  13 and name ha)(resid  13 and name hb2)  2.0 0.2 3.0
assign  (resid  13 and name ha)(resid  13 and name hd1)  2.0 0.2 1.5
assign  (resid  13 and name hb1)(resid  13 and name hd1)  2.0 0.2 3.0
assign  (resid  13 and name hb1)(resid  13 and name hg2)  2.0 0.2 3.0
assign  (resid  13 and name hd1)(resid  13 and name hg1)  2.0 0.2 1.5
assign  (resid  13 and name hd1)(resid  13 and name hg2)  2.0 0.2 3.0
assign  (resid  13 and name hd2)(resid  13 and name hg1)  2.0 0.2 3.0
assign  (resid  13 and name hd2)(resid  13 and name hg2)  2.0 0.2 1.5
!!sequential
assign  (resid  13 and name ha)(resid  12 and name hg#)  2.0 0.2 3.0
assign  (resid  13 and name ha)(resid  14 and name hg2)  2.0 0.2 3.0
assign  (resid  13 and name hb1)(resid  12 and name ha)  2.0 0.2 3.0
assign  (resid  13 and name hd1)(resid  12 and name hb)  2.0 0.2 3.0
assign  (resid  13 and name ha)(resid  14 and name hd1)  2.0 0.2 1.5
assign  (resid  13 and name ha)(resid  14 and name hd2)  2.0 0.2 1.5
assign  (resid  13 and name hb1)(resid  14 and name hd2)  2.0 0.2 3.0
!!medium rage
!!long range

!P14
!!intra residue
assign  (resid  14 and name ha)(resid  14 and name hd1)  2.0 0.2 1.5
assign  (resid  14 and name ha)(resid  14 and name hb1)  2.0 0.2 1.5
assign  (resid  14 and name ha)(resid  14 and name hb2)  2.0 0.2 3.0
assign  (resid  14 and name hb1)(resid  14 and name hg1)  2.0 0.2 1.5
assign  (resid  14 and name hd1)(resid  14 and name hb1)  2.0 0.2 3.0
assign  (resid  14 and name hd1)(resid  14 and name hg1)  2.0 0.2 1.5
assign  (resid  14 and name hg1)(resid  14 and name hb2)  2.0 0.2 3.0
assign  (resid  14 and name hd2)(resid  14 and name hg1)  2.0 0.2 3.0
assign  (resid  14 and name hd2)(resid  14 and name hg2)  2.0 0.2 1.5
!!sequential
assign  (resid  14 and name hd2)(resid  13 and name ha)  2.0 0.2 1.5
assign  (resid  14 and name hd2)(resid  13 and name hb1)  2.0 0.2 3.0
!!medium rage
assign  (resid  14 and name hb1)(resid   9 and name ha)  2.0 0.2 3.0
assign  (resid  14 and name hd1)(resid  12 and name hg#)  2.0 0.2 4.5
assign  (resid  14 and name hd2)(resid  12 and name ha)  2.0 0.2 3.0
!!long range
assign  (resid  14 and name hb1)(resid  22 and name hb1)  2.0 0.2 3.0
assign  (resid  14 and name hb1)(resid  22 and name hb2)  2.0 0.2 3.0
assign  (resid  14 and name hb2)(resid  22 and name hb1)  2.0 0.2 3.0
assign  (resid  14 and name hb2)(resid  22 and name hb2)  2.0 0.2 3.0
assign  (resid  14 and name hd1)(resid  22 and name hb2)  2.0 0.2 3.0

!C15 kay1=g-
!!intra residue
assign  (resid  15 and name hn)(resid  15 and name hb1)  2.0 0.2 2.2  !(10% data)
assign  (resid  15 and name hn)(resid  15 and name hb2)  2.0 0.2 0.7  !(323K data)
assign  (resid  15 and name hn)(resid  15 and name ha)  2.0 0.2 1.5  !(+I25a)(10% data)
assign  (resid  15 and name ha)(resid  15 and name hb1)  2.0 0.2 0.7
assign  (resid  15 and name hb2)(resid  15 and name ha)  2.0 0.2 2.0
!!sequential
assign  (resid  15 and name hn)(resid  14 and name hd2)  2.0 0.2 3.0  !(10% data)
assign  (resid  15 and name hn)(resid  14 and name hb2)  2.0 0.2 3.0
assign  (resid  15 and name hn)(resid  14 and name hg1)  2.0 0.2 3.0
assign  (resid  15 and name hn)(resid  14 and name hg2)  2.0 0.2 3.0
assign  (resid  15 and name hn)(resid  16 and name hn)  2.0 0.2 1.5
!!medium rage
assign  (resid  15 and name hb2)(resid  17 and name hb1)  2.0 0.2 3.0
!!long range

!R16
!!intra residue
assign  (resid  16 and name hn)(resid  16 and name ha)  2.0 0.2 1.5
assign  (resid  16 and name hn)(resid  16 and name hb#)  2.0 0.2 3.0 
assign  (resid  16 and name hn)(resid  16 and name hd#)  2.0 0.2 4.5
assign  (resid  16 and name hn)(resid  16 and name hg#)  2.0 0.2 3.0 
assign  (resid  16 and name hb#)(resid  16 and name ha)  2.0 0.2 4.5
assign  (resid  16 and name hb#)(resid  16 and name hd#)  2.0 0.2 4.5
assign  (resid  16 and name hg#)(resid  16 and name ha)  2.0 0.2 4.5
assign  (resid  16 and name hg#)(resid  16 and name hd#)  2.0 0.2 3.0
!!sequential
assign  (resid  16 and name hn)(resid  15 and name ha)  2.0 0.2 1.0
assign  (resid  16 and name hn)(resid  15 and name hb1)  2.0 0.2 1.5 
assign  (resid  16 and name hn)(resid  15 and name hb2)  2.0 0.2 3.0
!!medium rage
assign  (resid  16 and name hn)(resid  14 and name ha)  2.0 0.2 3.0 
assign  (resid  16 and name hn)(resid  17 and name hn)  2.0 0.2 3.0
!!long range

!S17 kay1=g+
!!intra residue
assign  (resid  17 and name hn)(resid  17 and name ha)  2.0 0.2 1.5
assign  (resid  17 and name hn)(resid  17 and name hb1)  2.0 0.2 1.5
assign  (resid  17 and name hn)(resid  17 and name hb2)  2.0 0.2 2.2
assign  (resid  17 and name ha)(resid  17 and name hb1)  2.0 0.2 0.7
assign  (resid  17 and name ha)(resid  17 and name hb2)  2.0 0.2 0.7
!!sequential
assign  (resid  17 and name hn)(resid  16 and name hn)  2.0 0.2 0.7
assign  (resid  17 and name hn)(resid  16 and name ha)  2.0 0.2 1.5
assign  (resid  17 and name hn)(resid  16 and name hb#)  2.0 0.2 4.5
assign  (resid  17 and name hn)(resid  16 and name hg#)  2.0 0.2 4.5
assign  (resid  17 and name hn)(resid  18 and name hn)  2.0 0.2 3.0
!!medium rage
assign  (resid  17 and name hn)(resid  13 and name hb1)  2.0 0.2 3.0
assign  (resid  17 and name hn)(resid  13 and name hb2)  2.0 0.2 2.5
assign  (resid  17 and name hn)(resid  13 and name hg1)  2.0 0.2 3.0
assign  (resid  17 and name hn)(resid  14 and name hg2)  2.0 0.2 3.0
assign  (resid  17 and name hn)(resid  15 and name hn)  2.0 0.2 3.0
assign  (resid  17 and name hn)(resid  15 and name hb1)  2.0 0.2 3.0
assign  (resid  17 and name hn)(resid  15 and name hb2)  2.0 0.2 3.0
assign  (resid  17 and name hn)(resid  20 and name hb1)  2.0 0.2 3.0
assign  (resid  17 and name hn)(resid  20 and name hb2)  2.0 0.2 3.0
!!long range

!R18
!!intra residue
assign  (resid  18 and name hn)(resid  18 and name ha)  2.0 0.2 1.5
assign  (resid  18 and name hn)(resid  18 and name hb1)  2.0 0.2 3.0
assign  (resid  18 and name hn)(resid  18 and name hb2)  2.0 0.2 1.5
assign  (resid  18 and name hn)(resid  18 and name hg1)  2.0 0.2 0.7
assign  (resid  18 and name hn)(resid  18 and name hg2)  2.0 0.2 1.5
assign  (resid  18 and name hn)(resid  18 and name hd#)  2.0 0.2 4.5
assign  (resid  18 and name ha)(resid  18 and name hb1)  2.0 0.2 3.0
assign  (resid  18 and name ha)(resid  18 and name hb2)  2.0 0.2 1.5
assign  (resid  18 and name ha)(resid  18 and name hg1)  2.0 0.2 3.0
assign  (resid  18 and name ha)(resid  18 and name hg2)  2.0 0.2 3.0
assign  (resid  18 and name hd#)(resid  18 and name hb1)  2.0 0.2 3.0
assign  (resid  18 and name hd#)(resid  18 and name hb2)  2.0 0.2 1.5
assign  (resid  18 and name hd#)(resid  18 and name hg1)  2.0 0.2 3.0
assign  (resid  18 and name hd#)(resid  18 and name hg2)  2.0 0.2 1.5
!!sequential
assign  (resid  18 and name hn)(resid  17 and name ha)  2.0 0.2 1.5
assign  (resid  18 and name hn)(resid  17 and name hb1)  2.0 0.2 3.0
assign  (resid  18 and name hn)(resid  17 and name hb2)  2.0 0.2 3.0
assign  (resid  18 and name hn)(resid  19 and name hn)  2.0 0.2 0.7
!!medium rage
assign  (resid  18 and name ha)(resid  13 and name hb1)  2.0 0.2 3.0
assign  (resid  18 and name ha)(resid  13 and name hb2)  2.0 0.2 3.0
!!long range

!D19
!!intra residue
assign  (resid  19 and name hn)(resid  19 and name hb1)  2.0 0.2 1.5
assign  (resid  19 and name hn)(resid  19 and name hb2)  2.0 0.2 3.0
assign  (resid  19 and name ha)(resid  19 and name hb1)  2.0 0.2 3.0
assign  (resid  19 and name ha)(resid  19 and name hb2)  2.0 0.2 3.0
!!sequential
assign  (resid  19 and name hn)(resid  18 and name ha)  2.0 0.2 1.5
assign  (resid  19 and name hn)(resid  18 and name hg1)  2.0 0.2 3.0
assign  (resid  19 and name hn)(resid  18 and name hg2)  2.0 0.2 3.0
assign  (resid  19 and name hn)(resid  18 and name hb1)  2.0 0.2 3.0
assign  (resid  19 and name hn)(resid  18 and name hb2)  2.0 0.2 1.5
assign  (resid  19 and name hn)(resid  20 and name hn)  2.0 0.2 0.5
!!medium rage
assign  (resid  19 and name hn)(resid  17 and name hb1)  2.0 0.2 3.0
assign  (resid  19 and name hn)(resid  17 and name hb2)  2.0 0.2 1.5
!!long range

!C20 kay1=g+
!!intra residue
assign  (resid  20 and name hn)(resid  20 and name hb1)  2.0 0.2 1.5
assign  (resid  20 and name hn)(resid  20 and name hb2)  2.0 0.2 2.2
assign  (resid  20 and name ha)(resid  20 and name hb1)  2.0 0.2 0.7
assign  (resid  20 and name ha)(resid  20 and name hb2)  2.0 0.2 0.7
!!sequential
assign  (resid  20 and name hn)(resid  19 and name ha)  2.0 0.2 1.5
!!medium rage
assign  (resid  20 and name hn)(resid  17 and name hb1)  2.0 0.2 3.0
assign  (resid  20 and name hn)(resid  18 and name ha)  2.0 0.2 3.0
!!long range
assign  (resid  20 and name ha)(resid  34 and name ha)  2.0 0.2 1.2
assign  (resid  20 and name ha)(resid  35 and name hd1)  2.0 0.2 1.5
assign  (resid  20 and name ha)(resid  35 and name hd2)  2.0 0.2 3.0

!R21
!!intra residue
assign  (resid  21 and name hn)(resid  21 and name ha)  2.0 0.2 1.5
assign  (resid  21 and name hn)(resid  21 and name hb1)  2.0 0.2 1.5
assign  (resid  21 and name hn)(resid  21 and name hb2)  2.0 0.2 2.2
assign  (resid  21 and name hn)(resid  21 and name hg#)  2.0 0.2 4.5
assign  (resid  21 and name hd#)(resid  21 and name ha)  2.0 0.2 4.5
assign  (resid  21 and name hd#)(resid  21 and name hg#)  2.0 0.2 3.0
assign  (resid  21 and name hb#)(resid  21 and name ha)  2.0 0.2 4.5
assign  (resid  21 and name hb#)(resid  21 and name hg#)  2.0 0.2 3.0
assign  (resid  21 and name hb#)(resid  21 and name hd#)  2.0 0.2 4.5
!!sequential
assign  (resid  21 and name hn)(resid  20 and name ha)  2.0 0.2 0.7
assign  (resid  21 and name hn)(resid  20 and name hb2)  2.0 0.2 1.5
!!medium rage
!!long range
assign  (resid  21 and name hn)(resid  32 and name ha)  2.0 0.2 3.0
assign  (resid  21 and name hn)(resid  33 and name hg11)  2.0 0.2 2.0
assign  (resid  21 and name hn)(resid  33 and name hg12)  2.0 0.2 3.0
assign  (resid  21 and name hn)(resid  34 and name ha)  2.0 0.2 3.0
assign  (resid  21 and name hn)(resid  35 and name hd1)  2.0 0.2 1.5
assign  (resid  21 and name hn)(resid  35 and name hd2)  2.0 0.2 3.0

!C22 kay1=t
!!intra residue
assign  (resid  22 and name hn)(resid  22 and name ha)  2.0 0.2 1.5
assign  (resid  22 and name hn)(resid  22 and name hb1)  2.0 0.2 0.7
assign  (resid  22 and name hn)(resid  22 and name hb2)  2.0 0.2 1.5
assign  (resid  22 and name ha)(resid  22 and name hb1)  2.0 0.2 2.0
assign  (resid  22 and name ha)(resid  22 and name hb2)  2.0 0.2 0.7
!!sequential
assign  (resid  22 and name hn)(resid  21 and name ha)  2.0 0.2 0.7
assign  (resid  22 and name hn)(resid  21 and name hb1)  2.0 0.2 1.5
assign  (resid  22 and name hn)(resid  21 and name hb2)  2.0 0.2 0.7
assign  (resid  22 and name hn)(resid  21 and name hd#)  2.0 0.2 4.5
assign  (resid  22 and name hn)(resid  21 and name hg#)  2.0 0.2 4.5
assign  (resid  22 and name hn)(resid  23 and name hg2#)  2.0 0.2 4.5
!!medium rage
!!long range
assign  (resid  22 and name hb1)(resid   9 and name ha)  2.0 0.2 3.0
assign  (resid  22 and name hb2)(resid   9 and name ha)  2.0 0.2 4.0
assign  (resid  22 and name hn)(resid  14 and name hb1)  2.0 0.2 3.0
assign  (resid  22 and name hn)(resid  14 and name hb2)  2.0 0.2 3.0
assign  (resid  22 and name hn)(resid  14 and name hg1)  2.0 0.2 3.0
assign  (resid  22 and name hn)(resid  14 and name hg2)  2.0 0.2 3.0
assign  (resid  22 and name hb2)(resid  14 and name hb2)  2.0 0.2 1.5
assign  (resid  22 and name hb2)(resid  14 and name hb1)  2.0 0.2 3.0
assign  (resid  22 and name hb2)(resid  14 and name hg1)  2.0 0.2 3.0
assign  (resid  22 and name ha)(resid  32 and name ha)  2.0 0.2 0.7

!V23 t
!!intra residue
assign  (resid  23 and name hn)(resid  23 and name ha)  2.0 0.2 3.0
assign  (resid  23 and name hn)(resid  23 and name hb)  2.0 0.2 0.7
assign  (resid  23 and name hn)(resid  23 and name hg2#)  2.0 0.2 3.0
assign  (resid  23 and name hn)(resid  23 and name hg1#)  2.0 0.2 4.0
assign  (resid  23 and name ha)(resid  23 and name hb)  2.0 0.2 2.0
assign  (resid  23 and name ha)(resid  23 and name hg2#)  2.0 0.2 2.2
assign  (resid  23 and name ha)(resid  23 and name hg1#)  2.0 0.2 2.2
!!sequential
assign  (resid  23 and name hn)(resid  22 and name hn)  2.0 0.2 3.0
assign  (resid  23 and name hn)(resid  22 and name ha)  2.0 0.2 0.7
assign  (resid  23 and name hn)(resid  22 and name hb1)  2.0 0.2 3.0
assign  (resid  23 and name hn)(resid  22 and name hb2)  2.0 0.2 3.0
assign  (resid  23 and name hn)(resid  24 and name hd1)  2.0 0.2 3.0
assign  (resid  23 and name ha)(resid  24 and name hd2)  2.0 0.2 1.5
!!medium rage
!!long range
assign  (resid  23 and name hn)(resid  30 and name ha2)  2.0 0.2 3.0
assign  (resid  23 and name hn)(resid  31 and name hn)  2.0 0.2 0.7
assign  (resid  23 and name hn)(resid  32 and name ha)  2.0 0.2 1.2
assign  (resid  23 and name hn)(resid  33 and name hg12)  2.0 0.2 3.0
assign  (resid  23 and name hn)(resid  33 and name hg2#)  2.0 0.2 4.5

!P24
!!intra residue
assign  (resid  24 and name ha)(resid  24 and name hb1)  2.0 0.2 1.5
assign  (resid  24 and name ha)(resid  24 and name hb2)  2.0 0.2 3.0
!assign  (resid  24 and name hb1)(resid  24 and name hg1)  2.0 0.2 3.0
!assign  (resid  24 and name hb1)(resid  24 and name hd1)  2.0 0.2 1.5
!assign  (resid  24 and name hb1)(resid  24 and name hd2)  2.0 0.2 3.0
!assign  (resid  24 and name hb2)(resid  24 and name hd1)  2.0 0.2 3.0
!assign  (resid  24 and name hb2)(resid  24 and name hd2)  2.0 0.2 3.0
!assign  (resid  24 and name hg2)(resid  24 and name ha)  2.0 0.2 3.0
!assign  (resid  24 and name hd1)(resid  24 and name hg1)  2.0 0.2 3.0
!assign  (resid  24 and name hd1)(resid  24 and name ha)  2.0 0.2 1.5
!assign  (resid  24 and name hd2)(resid  24 and name hg1)  2.0 0.2 3.0
!assign  (resid  24 and name hd2)(resid  24 and name hg2)  2.0 0.2 1.5
!!sequential
assign  (resid  24 and name hd2)(resid  23 and name ha)  2.0 0.2 1.5
assign  (resid  24 and name hd2)(resid  23 and name hg1#)  2.0 0.2 2.5
!!medium rage
!!long range
assign  (resid  24 and name ha)(resid  30 and name ha1)  2.0 0.2 0.7
assign  (resid  24 and name ha)(resid  30 and name ha2)  2.0 0.2 0.7

!I25
!!intra residue
assign  (resid  25 and name hn)(resid  25 and name ha)  2.0 0.2 0.7
assign  (resid  25 and name hn)(resid  25 and name hb)  2.0 0.2 2.2
assign  (resid  25 and name hn)(resid  25 and name hg1#)  2.0 0.2 3.0
assign  (resid  25 and name hn)(resid  25 and name hg2#)  2.0 0.2 2.5
assign  (resid  25 and name hn)(resid  25 and name hd1#)  2.0 0.2 4.5
!!sequential
assign  (resid  25 and name hn)(resid  24 and name ha)  2.0 0.2 0.7 !(I25a)
assign  (resid  25 and name hn)(resid  24 and name hb1)  2.0 0.2 3.0
assign  (resid  25 and name hn)(resid  26 and name hn)  2.0 0.2 0.7
assign  (resid  25 and name hn)(resid  26 and name ha1)  2.0 0.2 3.0
assign  (resid  25 and name hn)(resid  26 and name ha2)  2.0 0.2 3.0
!!medium rage
assign  (resid  25 and name hn)(resid  29 and name hg1#)  2.0 0.2 5.0
assign  (resid  25 and name hn)(resid  29 and name hg2#)  2.0 0.2 5.0
assign  (resid  25 and name hn)(resid  30 and name ha1)  2.0 0.2 1.5
assign  (resid  25 and name hn)(resid  30 and name ha2)  2.0 0.2 0.7
!!long range

!G26
!!intra residue
assign  (resid  26 and name hn)(resid  26 and name ha1)  2.0 0.2 2.0
assign  (resid  26 and name hn)(resid  26 and name ha2)  2.0 0.2 0.7
!!sequential
assign  (resid  26 and name hn)(resid  25 and name ha)  2.0 0.2 1.2 !I25a(4.53)
assign  (resid  26 and name hn)(resid  25 and name hb)  2.0 0.2 2.0
assign  (resid  26 and name hn)(resid  25 and name hg1#)  2.0 0.2 4.5
assign  (resid  26 and name hn)(resid  25 and name hg2#)  2.0 0.2 2.5
assign  (resid  26 and name hn)(resid  25 and name hd1#)  2.0 0.2 4.5
assign  (resid  26 and name hn)(resid  27 and name hn)  2.0 0.2 3.0
!!medium rage
assign  (resid  26 and name hn)(resid  24 and name ha)  2.0 0.2 1.5
assign  (resid  26 and name hn)(resid  24 and name hb1)  2.0 0.2 4.0
assign  (resid  26 and name hn)(resid  29 and name hn)  2.0 0.2 3.0
!assign  (resid  26 and name hn)(resid  29 and name hg1#)  2.0 0.2 4.5
!assign  (resid  26 and name hn)(resid  29 and name hg2#)  2.0 0.2 5.0
assign  (resid  26 and name hn)(resid  30 and name ha2)  2.0 0.2 3.0
!!long range

!L27  kay1=g-
!!intra residue
assign  (resid  27 and name hn)(resid  27 and name ha)  2.0 0.2 1.5
assign  (resid  27 and name hn)(resid  27 and name hb1)  2.0 0.2 2.5
assign  (resid  27 and name hn)(resid  27 and name hb2)  2.0 0.2 0.7
assign  (resid  27 and name hn)(resid  27 and name hd1#)  2.0 0.2 3.0
assign  (resid  27 and name ha)(resid  27 and name hb2)  2.0 0.2 2.2
assign  (resid  27 and name ha)(resid  27 and name hb1)  2.0 0.2 0.7
assign  (resid  27 and name ha)(resid  27 and name hd1#)  2.0 0.2 3.0
assign  (resid  27 and name ha)(resid  27 and name hd2#)  2.0 0.2 4.5
!!sequential
assign  (resid  27 and name hn)(resid  26 and name ha1)  2.0 0.2 0.7 !(L27a)
assign  (resid  27 and name hn)(resid  26 and name ha2)  2.0 0.2 2.0
!!medium rage
assign  (resid  27 and name hn)(resid  25 and name ha)  2.0 0.2 3.0
assign  (resid  27 and name ha)(resid  25 and name hg1#)  2.0 0.2 4.5
assign  (resid  27 and name hn)(resid  29 and name hn)  2.0 0.2 3.0
!!long range

!F28 kay1=g-
!!intra residue
assign  (resid  28 and name hn)(resid  28 and name ha)  2.0 0.2 1.5
assign  (resid  28 and name hn)(resid  28 and name hb1)  2.0 0.2 2.2
assign  (resid  28 and name hn)(resid  28 and name hb2)  2.0 0.2 0.7
assign  (resid  28 and name ha)(resid  28 and name hb1)  2.0 0.2 0.7
assign  (resid  28 and name ha)(resid  28 and name hb2)  2.0 0.2 2.0
assign  (resid  28 and name hd#)(resid  28 and name ha)  2.0 0.2 5.0
assign  (resid  28 and name hd#)(resid  28 and name hb1)  2.0 0.2 5.0
assign  (resid  28 and name hd#)(resid  28 and name hb2)  2.0 0.2 5.0
assign  (resid  28 and name he#)(resid  28 and name ha)  2.0 0.2 5.0
!!sequential
assign  (resid  28 and name hn)(resid  27 and name hn)  2.0 0.2 1.0
assign  (resid  28 and name hn)(resid  27 and name ha)  2.0 0.2 2.0
assign  (resid  28 and name hn)(resid  27 and name hb1)  2.0 0.2 2.5
assign  (resid  28 and name hn)(resid  27 and name hb2)  2.0 0.2 1.2
assign  (resid  28 and name hn)(resid  27 and name hg#)  2.0 0.2 3.0
assign  (resid  28 and name hn)(resid  27 and name hd1#)  2.0 0.2 4.5
assign  (resid  28 and name hn)(resid  27 and name hd2#)  2.0 0.2 4.5
assign  (resid  28 and name hd#)(resid  27 and name hb1)  2.0 0.2 5.0
assign  (resid  28 and name hd#)(resid  27 and name hb2)  2.0 0.2 5.0
assign  (resid  28 and name he#)(resid  27 and name hb1)  2.0 0.2 5.0
assign  (resid  28 and name he#)(resid  27 and name hd1#)  2.0 0.2 6.5
assign  (resid  28 and name hn)(resid  29 and name hn)  2.0 0.2 0.7
assign  (resid  28 and name hb1)(resid  29 and name hg2#)  2.0 0.2 4.5
assign  (resid  28 and name hb2)(resid  29 and name hg2#)  2.0 0.2 4.5
!!medium rage
!assign  (resid  28 and name hn)(resid  26 and name ha2)  2.0 0.2 3.0
!!long range

!V29 kay1=g-
!!intra residue
assign  (resid  29 and name hn)(resid  29 and name hb)  2.0 0.2 1.5
assign  (resid  29 and name hn)(resid  29 and name hg1#)  2.0 0.2 2.2
assign  (resid  29 and name hn)(resid  29 and name hg2#)  2.0 0.2 3.7
assign  (resid  29 and name ha)(resid  29 and name hb)  2.0 0.2 0.7
assign  (resid  29 and name ha)(resid  29 and name hg2#)  2.0 0.2 3.5
assign  (resid  29 and name ha)(resid  29 and name hg1#)  2.0 0.2 2.2
assign  (resid  29 and name hb)(resid  29 and name hg2#)  2.0 0.2 2.2
assign  (resid  29 and name hb)(resid  29 and name hg1#)  2.0 0.2 2.2
!!sequential
assign  (resid  29 and name hn)(resid  28 and name ha)  2.0 0.2 1.8
assign  (resid  29 and name hn)(resid  28 and name hb1)  2.0 0.2 3.0
assign  (resid  29 and name hn)(resid  28 and name hb2)  2.0 0.2 2.0
!!medium rage
assign  (resid  29 and name hn)(resid  25 and name hn)  2.0 0.2 3.0
assign  (resid  29 and name hn)(resid  26 and name hn)  2.0 0.2 1.5
assign  (resid  29 and name hn)(resid  27 and name hn)  2.0 0.2 3.0
assign  (resid  29 and name hn)(resid  27 and name ha)  2.0 0.2 3.0
!!long range

!G30
!!intra residue
assign  (resid  30 and name hn)(resid  30 and name ha2)  2.0 0.2 3.0
assign  (resid  30 and name hn)(resid  30 and name ha1)  2.0 0.2 2.0
!!sequential
assign  (resid  30 and name hn)(resid  29 and name hn)  2.0 0.2 3.0
assign  (resid  30 and name hn)(resid  29 and name ha)  2.0 0.2 0.7
assign  (resid  30 and name hn)(resid  29 and name hb)  2.0 0.2 2.0
assign  (resid  30 and name hn)(resid  29 and name hg1#)  2.0 0.2 4.5
assign  (resid  30 and name hn)(resid  29 and name hg2#)  2.0 0.2 2.2
assign  (resid  30 and name ha1)(resid  29 and name hg2#)  2.0 0.2 3.0
assign  (resid  30 and name ha2)(resid  29 and name hg2#)  2.0 0.2 3.0
!!medium rage
!assign  (resid  30 and name hn)(resid  27 and name hn)  2.0 0.2 3.0
!assign  (resid  30 and name hn)(resid  24 and name ha)  2.0 0.2 3.0
!assign  (resid  30 and name hn)(resid  26 and name ha1)  2.0 0.2 3.0
!assign  (resid  30 and name hn)(resid  27 and name ha)  2.0 0.2 3.0
!!long range
assign  (resid  30 and name hn)(resid   6 and name ha)  2.0 0.2 3.0
assign  (resid  30 and name hn)(resid   6 and name hb#)  2.0 0.2 5.0
assign  (resid  30 and name hn)(resid   8 and name ha)  2.0 0.2 3.0
assign  (resid  30 and name hn)(resid   9 and name hd#)  2.0 0.2 4.5
!assign  (resid  30 and name ha#)(resid  22 and name ha)  2.0 0.2 4.5

!F31 kay1=g+
!!intra residue
assign  (resid  31 and name hn)(resid  31 and name hb1)  2.0 0.2 2.5
assign  (resid  31 and name hn)(resid  31 and name hb2)  2.0 0.2 1.2
assign  (resid  31 and name hn)(resid  31 and name ha)  2.0 0.2 1.5
assign  (resid  31 and name hn)(resid  31 and name hd1)  2.0 0.2 2.5
assign  (resid  31 and name hn)(resid  31 and name hd2)  2.0 0.2 1.0
assign  (resid  31 and name ha)(resid  31 and name hb1)  2.0 0.2 0.7
assign  (resid  31 and name ha)(resid  31 and name hb2)  2.0 0.2 2.0
assign  (resid  31 and name hd1)(resid  31 and name ha)  2.0 0.2 2.5
assign  (resid  31 and name hd2)(resid  31 and name ha)  2.0 0.2 2.5
assign  (resid  31 and name hd1)(resid  31 and name hb1)  2.0 0.2 1.0
assign  (resid  31 and name hd2)(resid  31 and name hb1)  2.0 0.2 2.5
assign  (resid  31 and name hd1)(resid  31 and name hb2)  2.0 0.2 2.5
assign  (resid  31 and name hd2)(resid  31 and name hb2)  2.0 0.2 1.0
!!sequential
assign  (resid  31 and name hn)(resid  30 and name ha2)  2.0 0.2 0.7
assign  (resid  31 and name hn)(resid  30 and name ha1)  2.0 0.2 1.5
assign  (resid  31 and name hd2)(resid  30 and name ha1)  2.0 0.2 3.0
assign  (resid  31 and name hd2)(resid  30 and name ha2)  2.0 0.2 2.0
assign  (resid  31 and name hd#)(resid  32 and name hb2)  2.0 0.2 4.5
!!medium rage
assign  (resid  31 and name hd2)(resid  29 and name hb)  2.0 0.2 5.0
!assign  (resid  31 and name he#)(resid  33 and name hb)  2.0 0.2 5.0
!assign  (resid  31 and name he#)(resid  33 and name hg2#)  2.0 0.2 5.0
!assign  (resid  31 and name he#)(resid  33 and name hd1#)  2.0 0.2 5.0
!assign  (resid  31 and name hd#)(resid  33 and name hb)  2.0 0.2 5.0
!assign  (resid  31 and name hd#)(resid  33 and name hg2#)  2.0 0.2 5.0
!assign  (resid  31 and name hd#)(resid  33 and name hd1#)  2.0 0.2 5.0
!!long range
assign  (resid  31 and name hd1)(resid   5 and name ha#)  2.0 0.2 6.5
assign  (resid  31 and name hd1)(resid   6 and name ha)  2.0 0.2 1.5
assign  (resid  31 and name hb1)(resid   6 and name ha)  2.0 0.2 4.5
assign  (resid  31 and name hd1)(resid   7 and name hn)  2.0 0.2 3.0
assign  (resid  31 and name hn)(resid  22 and name ha)  2.0 0.2 3.0
assign  (resid  31 and name hn)(resid  23 and name hb)  2.0 0.2 1.5
assign  (resid  31 and name hn)(resid  23 and name hg1#)  2.0 0.2 4.5
assign  (resid  31 and name hn)(resid  23 and name hg2#)  2.0 0.2 4.0
assign  (resid  31 and name hd2)(resid  23 and name hg1#)  2.0 0.2 5.0
assign  (resid  31 and name hd2)(resid  23 and name hb)  2.0 0.2 3.0
assign  (resid  31 and name hd2)(resid  23 and name hg2#)  2.0 0.2 5.0
assign  (resid  31 and name hd2)(resid  23 and name hn)  2.0 0.2 3.0
!assign  (resid  31 and name hd2)(resid  23 and name hb)  2.0 0.2 3.5
!assign  (resid  31 and name hd2)(resid  23 and name hg2#)  2.0 0.2 5.0
!assign  (resid  31 and name hd2)(resid  23 and name hg1#)  2.0 0.2 5.0
assign  (resid  31 and name hd2)(resid  24 and name ha)  2.0 0.2 5.0
assign  (resid  31 and name hn)(resid  24 and name ha)  2.0 0.2 3.0
assign  (resid  31 and name hn)(resid  25 and name hn)  2.0 0.2 3.0
assign  (resid  31 and name hb2)(resid  25 and name hg2#)  2.0 0.2 4.5
assign  (resid  31 and name hb2)(resid  25 and name hd1#)  2.0 0.2 4.5
assign  (resid  31 and name hd2)(resid  25 and name hg2#)  2.0 0.2 3.0
assign  (resid  31 and name hd2)(resid  25 and name hd1#)  2.0 0.2 3.0

!C32 kay1=g-
!!intra residue
assign  (resid  32 and name hn)(resid  33 and name hn)  2.0 0.2 3.0
assign  (resid  32 and name hn)(resid  32 and name ha)  2.0 0.2 1.5
assign  (resid  32 and name hn)(resid  32 and name hb2)  2.0 0.2 0.7
assign  (resid  32 and name hn)(resid  32 and name hb1)  2.0 0.2 2.2
assign  (resid  32 and name ha)(resid  32 and name hb2)  2.0 0.2 2.0
assign  (resid  32 and name ha)(resid  32 and name hb1)  2.0 0.2 0.7
!!sequential
assign  (resid  32 and name hn)(resid  31 and name ha)  2.0 0.2 0.5
assign  (resid  32 and name hn)(resid  31 and name hb1)  2.0 0.2 1.2
assign  (resid  32 and name hn)(resid  31 and name hb2)  2.0 0.2 3.0
assign  (resid  32 and name hn)(resid  31 and name hd#)  2.0 0.2 4.5
!!medium rage
!!long range
assign  (resid  32 and name hn)(resid   6 and name ha)  2.0 0.2 1.5

!I33
!!intra residue
assign  (resid  33 and name hn)(resid  33 and name ha)  2.0 0.2 1.5
assign  (resid  33 and name hn)(resid  33 and name hb)  2.0 0.2 2.2
assign  (resid  33 and name hn)(resid  33 and name hg11)  2.0 0.2 2.0
assign  (resid  33 and name hn)(resid  33 and name hg12)  2.0 0.2 2.5
assign  (resid  33 and name hn)(resid  33 and name hg2#)  2.0 0.2 3.0
assign  (resid  33 and name hn)(resid  33 and name hd1#)  2.0 0.2 4.5
assign  (resid  33 and name ha)(resid  33 and name hb)  2.0 0.2 0.7
assign  (resid  33 and name ha)(resid  33 and name hg2#)  2.0 0.2 2.7
assign  (resid  33 and name ha)(resid  33 and name hd1#)  2.0 0.2 5.0
assign  (resid  33 and name hb)(resid  33 and name hg11)  2.0 0.2 1.2
assign  (resid  33 and name hb)(resid  33 and name hg12)  2.0 0.2 3.0
assign  (resid  33 and name hb)(resid  33 and name hg2#)  2.0 0.2 2.5
assign  (resid  33 and name hb)(resid  33 and name hd1#)  2.0 0.2 3.0
!!sequential
assign  (resid  33 and name hn)(resid  32 and name ha)  2.0 0.2 0.7
assign  (resid  33 and name hn)(resid  32 and name hb1)  2.0 0.2 1.0
assign  (resid  33 and name hn)(resid  32 and name hb2)  2.0 0.2 3.0
!assign  (resid  33 and name ha)(resid  32 and name hn)  2.0 0.2 3.0
!!medium rage
!!long range
assign  (resid  33 and name hn)(resid  22 and name ha)  2.0 0.2 3.0
assign  (resid  33 and name hn)(resid  23 and name hg2#)  2.0 0.2 4.5

!H34 kay1=g+
!!intra residue
assign  (resid  34 and name hn)(resid  34 and name ha)  2.0 0.2 1.5
assign  (resid  34 and name hn)(resid  34 and name hb1)  2.0 0.2 1.5
assign  (resid  34 and name hn)(resid  34 and name hb2)  2.0 0.2 2.2
assign  (resid  34 and name hb1)(resid  34 and name ha)  2.0 0.2 0.7
assign  (resid  34 and name hb2)(resid  34 and name ha)  2.0 0.2 0.7
assign  (resid  34 and name hd2)(resid  34 and name ha)  2.0 0.2 2.5
assign  (resid  34 and name hd2)(resid  34 and name hb1)  2.0 0.2 2.0  !1/18
assign  (resid  34 and name hd2)(resid  34 and name hb2)  2.0 0.2 2.0  !1/18
!!sequential
assign  (resid  34 and name hn)(resid  33 and name ha)  2.0 0.2 0.7
assign  (resid  34 and name hn)(resid  33 and name hb)  2.0 0.2 1.2
assign  (resid  34 and name hn)(resid  33 and name hg11)  2.0 0.2 2.5
assign  (resid  34 and name hn)(resid  33 and name hg12)  2.0 0.2 3.0
assign  (resid  34 and name hn)(resid  33 and name hg2#)  2.0 0.2 3.0
assign  (resid  34 and name hn)(resid  33 and name hd1#)  2.0 0.2 5.0
!!medium rage
assign  (resid  34 and name hn)(resid  35 and name hd1)  2.0 0.2 2.5
assign  (resid  34 and name hn)(resid  35 and name hd2)  2.0 0.2 3.0
!assign  (resid  34 and name hb1)(resid  35 and name ha)  2.0 0.2 3.0
assign  (resid  34 and name hd2)(resid  35 and name hd1)  2.0 0.2 3.0
assign  (resid  34 and name hd2)(resid  35 and name hd2)  2.0 0.2 3.5
!assign  (resid  34 and name hd2)(resid  31 and name hb#)  2.0 0.2 4.5
!assign  (resid  34 and name hd2)(resid  32 and name hb#)  2.0 0.2 4.5
!assign  (resid  34 and name he1)(resid  32 and name hb#)  2.0 0.2 4.5
!!long range
assign  (resid  34 and name hn)(resid   4 and name hb#)  2.0 0.2 4.5
!assign  (resid  34 and name hd2)(resid  2 and name ha)  2.0 0.2 1.0  <--H2O
assign  (resid  34 and name hd2)(resid  3 and name hb2)  2.0 0.2 3.0  !1/18
assign  (resid  34 and name hd2)(resid  4 and name hb#)  2.0 0.2 4.5  !1/18

!P35
!!intra residue
assign  (resid  35 and name ha)(resid  35 and name hb1)  2.0 0.2 1.5
assign  (resid  35 and name ha)(resid  35 and name hb2)  2.0 0.2 3.0
assign  (resid  35 and name hb2)(resid  35 and name hg2)  2.0 0.2 1.5
assign  (resid  35 and name hb2)(resid  35 and name hd2)  2.0 0.2 3.0
assign  (resid  35 and name hd1)(resid  35 and name hb1)  2.0 0.2 3.0
assign  (resid  35 and name hd1)(resid  35 and name hg1)  2.0 0.2 3.0
assign  (resid  35 and name hd2)(resid  35 and name hg2)  2.0 0.2 1.5
assign  (resid  35 and name hd2)(resid  35 and name hg1)  2.0 0.2 3.0
!!sequential
assign  (resid  35 and name hd1)(resid  34 and name ha)  2.0 0.2 1.5
assign  (resid  35 and name hd2)(resid  34 and name ha)  2.0 0.2 1.5
!!medium rage
!!long range

!T36
!!intra residue
assign  (resid  36 and name hn)(resid  36 and name hb)  2.0 0.2 3.0
assign  (resid  36 and name hn)(resid  36 and name hg2#)  2.0 0.2 3.0
!!sequential
assign  (resid  36 and name hn)(resid  35 and name ha)  2.0 0.2 0.5
assign  (resid  36 and name hn)(resid  35 and name hb1)  2.0 0.2 3.0
assign  (resid  36 and name hn)(resid  35 and name hg1)  2.0 0.2 3.0
assign  (resid  36 and name ha)(resid  37 and name ha#)  2.0 0.2 4.5
!!medium rage
!!long range

!G37
!!intra residue
assign  (resid  37 and name hn)(resid  37 and name ha#)  2.0 0.2 2.0
!!sequential
assign  (resid  37 and name hn)(resid  36 and name ha)  2.0 0.2 0.5
assign  (resid  37 and name hn)(resid  36 and name hb#)  2.0 0.2 4.5
assign  (resid  37 and name hn)(resid  36 and name hg2#)  2.0 0.2 4.5
!!medium rage
!!long range


!H-bond
!R21
assign  (resid  21 and name n)(resid  33 and name o)  3.3 0.8 0.2
assign  (resid  21 and name hn)(resid  33 and name o)  2.3 0.8 0.2

!I33
assign  (resid  33 and name n)(resid  21 and name o)  3.3 0.8 0.2
assign  (resid  33 and name hn)(resid  21 and name o)  2.3 0.8 0.2

!V23
assign  (resid  23 and name n)(resid  31 and name o)  3.3 0.8 0.2
assign  (resid  23 and name hn)(resid  31 and name o)  2.3 0.8 0.2

!I25
assign  (resid  25 and name n)(resid  29 and name o)  3.3 0.8 0.2
assign  (resid  25 and name hn)(resid  29 and name o)  2.3 0.8 0.2

!C7
assign  (resid   7 and name n)(resid  30 and name o)  3.3 0.8 0.2
assign  (resid   7 and name hn)(resid  30 and name o)  2.3 0.8 0.2


!C32
assign  (resid  32 and name n)(resid   5 and name o)  3.3 0.8 0.2
assign  (resid  32 and name hn)(resid   5 and name o)  2.3 0.8 0.2

!H34
assign  (resid  34 and name n)(resid   3 and name o)  3.3 0.8 0.2
assign  (resid  34 and name hn)(resid   3 and name o)  2.3 0.8 0.2

!F31
assign  (resid  31 and name n)(resid   23 and name o)  3.3 0.8 0.2
assign  (resid  31 and name hn)(resid  23 and name o)  2.3 0.8 0.2


  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1          HT1       ALA   1 -11.168  -0.044   9.654
    2   2H    ALA   1          HT2       ALA   1 -10.473   1.495   9.851
    3   3H    ALA   1          HT3       ALA   1 -10.275   0.309  11.051
    4    HA   ALA   1           HA       ALA   1  -8.429  -0.399  10.091
    5   1HB   ALA   1          HB1       ALA   1 -10.413  -1.521   8.592
    6   2HB   ALA   1          HB2       ALA   1  -8.697  -1.842   8.338
    7   3HB   ALA   1          HB3       ALA   1  -9.526  -0.640   7.348
    8    H    ASP   2           HN       ASP   2  -6.639   0.673   9.288
    9    HA   ASP   2           HA       ASP   2  -7.191   3.204   7.818
   10   1HB   ASP   2          HB2       ASP   2  -4.866   2.264   9.503
   11   2HB   ASP   2          HB1       ASP   2  -4.753   3.686   8.466
   12    H    CYS   3           HN       CYS   3  -4.088   1.540   7.787
   13    HA   CYS   3           HA       CYS   3  -4.350   1.346   4.829
   14   1HB   CYS   3          HB2       CYS   3  -2.451   2.629   6.136
   15   2HB   CYS   3          HB1       CYS   3  -1.763   1.021   6.285
   16    H    ASN   4           HN       ASN   4  -5.317  -0.654   4.587
   17    HA   ASN   4           HA       ASN   4  -3.610  -3.004   5.120
   18   1HB   ASN   4          HB2       ASN   4  -6.405  -2.667   6.240
   19   2HB   ASN   4          HB1       ASN   4  -5.631  -4.241   6.059
   20   1HD2  ASN   4          HD21      ASN   4  -6.365  -2.739   8.590
   21   2HD2  ASN   4          HD22      ASN   4  -4.914  -2.621   9.463
   22    H    GLY   5           HN       GLY   5  -5.220  -5.020   4.253
   23   1HA   GLY   5          HA2       GLY   5  -6.492  -5.839   2.408
   24   2HA   GLY   5          HA1       GLY   5  -6.820  -4.174   1.952
   25    H    ALA   6           HN       ALA   6  -6.332  -4.589  -0.210
   26    HA   ALA   6           HA       ALA   6  -3.599  -5.477  -0.913
   27   1HB   ALA   6          HB1       ALA   6  -4.396  -5.779  -3.099
   28   2HB   ALA   6          HB2       ALA   6  -5.674  -4.580  -2.898
   29   3HB   ALA   6          HB3       ALA   6  -5.813  -6.156  -2.119
   30    H    CYS   7           HN       CYS   7  -2.048  -4.061  -1.885
   31    HA   CYS   7           HA       CYS   7  -2.840  -1.173  -1.870
   32   1HB   CYS   7          HB2       CYS   7  -0.593  -0.598  -1.299
   33   2HB   CYS   7          HB1       CYS   7  -1.023  -1.942  -0.246
   34    H    SER   8           HN       SER   8  -2.299   0.129  -3.631
   35    HA   SER   8           HA       SER   8  -1.237  -1.345  -5.986
   36   1HB   SER   8          HB2       SER   8  -2.628   0.752  -7.058
   37   2HB   SER   8          HB1       SER   8  -3.238  -0.878  -6.917
   38    HG   SER   8           HG       SER   8  -4.719   0.355  -5.889
   39    HA   PRO   9           HA       PRO   9   1.600   2.028  -6.282
   40   1HB   PRO   9          HB2       PRO   9   2.816   1.165  -8.579
   41   2HB   PRO   9          HB1       PRO   9   3.074   0.365  -7.016
   42   1HG   PRO   9          HG2       PRO   9   1.507  -0.574  -9.352
   43   2HG   PRO   9          HG1       PRO   9   2.203  -1.511  -8.018
   44   1HD   PRO   9          HD2       PRO   9  -0.539  -0.636  -8.300
   45   2HD   PRO   9          HD1       PRO   9   0.186  -1.539  -6.958
   46    H    PHE  10           HN       PHE  10  -0.077   0.880  -9.163
   47    HA   PHE  10           HA       PHE  10  -0.217   3.118 -10.792
   48   1HB   PHE  10          HB2       PHE  10  -2.145   0.900 -10.066
   49   2HB   PHE  10          HB1       PHE  10  -2.666   2.198 -11.154
   50    HD1  PHE  10           HD1      PHE  10  -0.958   2.782 -13.103
   51    HD2  PHE  10           HD2      PHE  10  -1.091  -0.962 -11.002
   52    HE1  PHE  10           HE1      PHE  10   0.204   1.679 -14.996
   53    HE2  PHE  10           HE2      PHE  10   0.072  -2.066 -12.895
   54    HZ   PHE  10           HZ       PHE  10   0.718  -0.745 -14.892
   55    H    GLU  11           HN       GLU  11  -1.710   2.392  -7.752
   56    HA   GLU  11           HA       GLU  11  -3.415   4.779  -7.870
   57   1HB   GLU  11          HB2       GLU  11  -4.725   3.150  -6.994
   58   2HB   GLU  11          HB1       GLU  11  -3.362   2.251  -6.351
   59   1HG   GLU  11          HG2       GLU  11  -4.561   3.018  -4.470
   60   2HG   GLU  11          HG1       GLU  11  -3.169   4.085  -4.597
   61    H    VAL  12           HN       VAL  12  -3.337   6.394  -6.258
   62    HA   VAL  12           HA       VAL  12  -1.185   6.456  -4.279
   63    HB   VAL  12           HB       VAL  12  -1.133   8.573  -6.436
   64   1HG1  VAL  12          HG11      VAL  12   0.148   9.508  -4.815
   65   2HG1  VAL  12          HG12      VAL  12   1.365   8.329  -5.301
   66   3HG1  VAL  12          HG13      VAL  12   0.302   7.984  -3.937
   67   1HG2  VAL  12          HG21      VAL  12  -0.596   6.426  -7.502
   68   2HG2  VAL  12          HG22      VAL  12   0.559   6.062  -6.219
   69   3HG2  VAL  12          HG23      VAL  12   0.866   7.394  -7.330
   70    HA   PRO  13           HA       PRO  13  -0.952   7.233  -2.412
   71   1HB   PRO  13          HB2       PRO  13  -2.438   6.749  -0.153
   72   2HB   PRO  13          HB1       PRO  13  -1.622   8.293  -0.474
   73   1HG   PRO  13          HG2       PRO  13  -4.516   7.564  -0.912
   74   2HG   PRO  13          HG1       PRO  13  -3.828   9.059  -0.239
   75   1HD   PRO  13          HD2       PRO  13  -4.635   8.908  -2.831
   76   2HD   PRO  13          HD1       PRO  13  -3.240   9.897  -2.338
   77    HA   PRO  14           HA       PRO  14  -2.020   3.186  -3.526
   78   1HB   PRO  14          HB2       PRO  14  -0.476   1.760  -1.789
   79   2HB   PRO  14          HB1       PRO  14   0.195   2.649  -3.172
   80   1HG   PRO  14          HG2       PRO  14   0.043   3.499  -0.277
   81   2HG   PRO  14          HG1       PRO  14   1.394   3.670  -1.423
   82   1HD   PRO  14          HD2       PRO  14  -0.284   5.738  -0.890
   83   2HD   PRO  14          HD1       PRO  14   0.424   5.493  -2.504
   84    H    CYS  15           HN       CYS  15  -2.685   4.345  -0.359
   85    HA   CYS  15           HA       CYS  15  -4.727   2.226  -0.088
   86   1HB   CYS  15          HB2       CYS  15  -3.035   3.163   2.203
   87   2HB   CYS  15          HB1       CYS  15  -4.055   1.724   2.123
   88    H    ARG  16           HN       ARG  16  -3.417   5.119   1.184
   89    HA   ARG  16           HA       ARG  16  -5.334   7.001   0.968
   90   1HB   ARG  16          HB2       ARG  16  -7.168   5.694   1.700
   91   2HB   ARG  16          HB1       ARG  16  -6.251   4.997   3.032
   92   1HG   ARG  16          HG2       ARG  16  -7.852   6.653   3.877
   93   2HG   ARG  16          HG1       ARG  16  -6.200   7.214   4.140
   94   1HD   ARG  16          HD2       ARG  16  -6.985   9.124   3.174
   95   2HD   ARG  16          HD1       ARG  16  -6.669   8.249   1.676
   96    HE   ARG  16           HE       ARG  16  -9.168   7.481   1.985
   97   1HH1  ARG  16          HH21      ARG  16  -7.716  10.576   2.345
   98   2HH1  ARG  16          HH22      ARG  16  -9.221  11.425   2.406
   99   1HH2  ARG  16          HH11      ARG  16 -11.158   8.554   2.281
  100   2HH2  ARG  16          HH12      ARG  16 -11.167  10.284   2.364
  101    H    SER  17           HN       SER  17  -3.080   5.453   3.166
  102    HA   SER  17           HA       SER  17  -2.793   8.099   4.543
  103   1HB   SER  17          HB2       SER  17  -1.830   6.752   6.439
  104   2HB   SER  17          HB1       SER  17  -3.529   6.428   6.108
  105    HG   SER  17           HG       SER  17  -2.804   4.447   6.054
  106    H    ARG  18           HN       ARG  18  -0.914   9.125   4.187
  107    HA   ARG  18           HA       ARG  18   1.169   8.001   2.551
  108   1HB   ARG  18          HB2       ARG  18   2.427  10.100   3.435
  109   2HB   ARG  18          HB1       ARG  18   1.002  10.348   2.430
  110   1HG   ARG  18          HG2       ARG  18  -0.291  11.065   4.210
  111   2HG   ARG  18          HG1       ARG  18   0.622  10.123   5.389
  112   1HD   ARG  18          HD2       ARG  18   2.563  11.689   5.028
  113   2HD   ARG  18          HD1       ARG  18   1.504  12.685   4.029
  114    HE   ARG  18           HE       ARG  18   0.090  12.427   6.385
  115   1HH1  ARG  18          HH11      ARG  18   2.635  14.224   5.123
  116   2HH1  ARG  18          HH12      ARG  18   3.120  14.922   6.631
  117   1HH2  ARG  18          HH21      ARG  18   0.991  12.952   8.530
  118   2HH2  ARG  18          HH22      ARG  18   2.188  14.202   8.561
  119    H    ASP  19           HN       ASP  19   0.728   8.379   6.024
  120    HA   ASP  19           HA       ASP  19   3.411   7.733   6.806
  121   1HB   ASP  19          HB2       ASP  19   2.409   7.225   9.015
  122   2HB   ASP  19          HB1       ASP  19   1.795   8.746   8.367
  123    H    CYS  20           HN       CYS  20   0.872   5.868   5.496
  124    HA   CYS  20           HA       CYS  20   2.020   3.323   6.521
  125   1HB   CYS  20          HB2       CYS  20  -0.039   2.375   6.065
  126   2HB   CYS  20          HB1       CYS  20  -0.544   4.032   6.285
  127    H    ARG  21           HN       ARG  21   2.156   1.534   4.657
  128    HA   ARG  21           HA       ARG  21   3.106   2.819   2.152
  129   1HB   ARG  21          HB2       ARG  21   5.045   1.048   2.318
  130   2HB   ARG  21          HB1       ARG  21   5.178   2.611   3.118
  131   1HG   ARG  21          HG2       ARG  21   4.637   1.698   5.243
  132   2HG   ARG  21          HG1       ARG  21   4.029   0.203   4.529
  133   1HD   ARG  21          HD2       ARG  21   6.278  -0.405   3.799
  134   2HD   ARG  21          HD1       ARG  21   6.913   1.126   4.401
  135    HE   ARG  21           HE       ARG  21   5.591  -0.281   6.527
  136   1HH1  ARG  21          HH21      ARG  21   8.436   1.047   6.137
  137   2HH1  ARG  21          HH22      ARG  21   9.432  -0.293   6.597
  138   1HH2  ARG  21          HH11      ARG  21   6.853  -2.607   6.431
  139   2HH2  ARG  21          HH12      ARG  21   8.535  -2.362   6.763
  140    H    CYS  22           HN       CYS  22   3.202   1.474   0.354
  141    HA   CYS  22           HA       CYS  22   1.339  -0.826   0.443
  142   1HB   CYS  22          HB2       CYS  22   0.849   0.586  -1.385
  143   2HB   CYS  22          HB1       CYS  22   2.546   0.887  -1.728
  144    H    VAL  23           HN       VAL  23   2.100  -2.912   0.389
  145    HA   VAL  23           HA       VAL  23   5.017  -3.263  -0.172
  146    HB   VAL  23           HB       VAL  23   3.120  -4.732   1.665
  147   1HG1  VAL  23          HG11      VAL  23   4.156  -6.626   0.888
  148   2HG1  VAL  23          HG12      VAL  23   5.434  -6.092   1.980
  149   3HG1  VAL  23          HG13      VAL  23   5.540  -5.735   0.256
  150   1HG2  VAL  23          HG21      VAL  23   4.361  -2.756   2.519
  151   2HG2  VAL  23          HG22      VAL  23   5.878  -3.525   2.053
  152   3HG2  VAL  23          HG23      VAL  23   4.876  -4.244   3.313
  153    HA   PRO  24           HA       PRO  24   2.920  -5.425  -3.550
  154   1HB   PRO  24          HB2       PRO  24   4.714  -4.659  -5.465
  155   2HB   PRO  24          HB1       PRO  24   3.352  -3.643  -4.956
  156   1HG   PRO  24          HG2       PRO  24   6.249  -3.397  -4.257
  157   2HG   PRO  24          HG1       PRO  24   5.023  -2.128  -4.441
  158   1HD   PRO  24          HD2       PRO  24   5.905  -3.175  -1.992
  159   2HD   PRO  24          HD1       PRO  24   4.408  -2.251  -2.241
  160    H    ILE  25           HN       ILE  25   3.316  -7.536  -3.153
  161    HA   ILE  25           HA       ILE  25   6.071  -8.510  -3.541
  162    HB   ILE  25           HB       ILE  25   5.950  -9.954  -1.725
  163   1HG1  ILE  25          HG12      ILE  25   2.946  -9.789  -2.099
  164   2HG1  ILE  25          HG11      ILE  25   3.989 -11.177  -2.411
  165   1HG2  ILE  25          HG21      ILE  25   5.737  -7.578  -0.942
  166   2HG2  ILE  25          HG22      ILE  25   5.043  -8.750   0.177
  167   3HG2  ILE  25          HG23      ILE  25   3.989  -7.804  -0.873
  168   1HD1  ILE  25          HD11      ILE  25   3.013 -11.653  -0.306
  169   2HD1  ILE  25          HD12      ILE  25   3.200  -9.989   0.252
  170   3HD1  ILE  25          HD13      ILE  25   4.614 -11.033   0.092
  171    H    GLY  26           HN       GLY  26   2.689  -9.056  -3.895
  172   1HA   GLY  26          HA2       GLY  26   2.982 -11.538  -5.252
  173   2HA   GLY  26          HA1       GLY  26   1.580 -10.498  -5.378
  174    H    LEU  27           HN       LEU  27   3.881 -11.774  -7.094
  175    HA   LEU  27           HA       LEU  27   5.122  -9.875  -8.662
  176   1HB   LEU  27          HB2       LEU  27   3.740 -12.387  -9.672
  177   2HB   LEU  27          HB1       LEU  27   4.935 -11.460 -10.581
  178    HG   LEU  27           HG       LEU  27   5.682 -12.312  -7.821
  179   1HD1  LEU  27          HD11      LEU  27   5.046 -14.455  -8.324
  180   2HD1  LEU  27          HD12      LEU  27   6.572 -14.452  -9.209
  181   3HD1  LEU  27          HD13      LEU  27   5.057 -14.162 -10.063
  182   1HD2  LEU  27          HD21      LEU  27   7.231 -10.984  -9.156
  183   2HD2  LEU  27          HD22      LEU  27   7.105 -12.124 -10.495
  184   3HD2  LEU  27          HD23      LEU  27   7.878 -12.616  -8.988
  185    H    PHE  28           HN       PHE  28   1.726 -10.557  -8.409
  186    HA   PHE  28           HA       PHE  28   1.168  -8.552 -10.545
  187   1HB   PHE  28          HB2       PHE  28  -0.432 -10.930  -9.583
  188   2HB   PHE  28          HB1       PHE  28  -1.106  -9.675 -10.623
  189    HD1  PHE  28           HD1      PHE  28   0.323 -12.830 -10.680
  190    HD2  PHE  28           HD2      PHE  28   0.635  -9.023 -12.643
  191    HE1  PHE  28           HE1      PHE  28   1.338 -13.932 -12.656
  192    HE2  PHE  28           HE2      PHE  28   1.650 -10.125 -14.619
  193    HZ   PHE  28           HZ       PHE  28   2.001 -12.580 -14.625
  194    H    VAL  29           HN       VAL  29   0.908  -9.176  -7.123
  195    HA   VAL  29           HA       VAL  29  -0.843  -6.770  -6.952
  196    HB   VAL  29           HB       VAL  29  -2.302  -8.728  -6.726
  197   1HG1  VAL  29          HG11      VAL  29  -1.893 -10.051  -4.502
  198   2HG1  VAL  29          HG12      VAL  29  -0.227  -9.509  -4.712
  199   3HG1  VAL  29          HG13      VAL  29  -0.999 -10.494  -5.956
  200   1HG2  VAL  29          HG21      VAL  29  -3.410  -8.044  -4.741
  201   2HG2  VAL  29          HG22      VAL  29  -2.567  -6.603  -5.314
  202   3HG2  VAL  29          HG23      VAL  29  -1.896  -7.547  -3.983
  203    H    GLY  30           HN       GLY  30  -0.934  -5.855  -4.779
  204   1HA   GLY  30          HA2       GLY  30   1.414  -6.495  -3.070
  205   2HA   GLY  30          HA1       GLY  30   1.085  -4.820  -3.535
  206    H    PHE  31           HN       PHE  31   0.931  -5.024  -0.919
  207    HA   PHE  31           HA       PHE  31  -1.955  -5.040  -0.388
  208   1HB   PHE  31          HB2       PHE  31   0.032  -6.488   1.344
  209   2HB   PHE  31          HB1       PHE  31  -1.728  -6.434   1.523
  210    HD1  PHE  31           HD1      PHE  31  -3.180  -7.459  -0.083
  211    HD2  PHE  31           HD2      PHE  31   1.048  -7.834  -0.423
  212    HE1  PHE  31           HE1      PHE  31  -3.495  -9.346  -1.681
  213    HE2  PHE  31           HE2      PHE  31   0.774  -9.722  -2.014
  214    HZ   PHE  31           HZ       PHE  31  -1.506 -10.475  -2.648
  215    H    CYS  32           HN       CYS  32  -2.587  -3.601   1.132
  216    HA   CYS  32           HA       CYS  32  -0.651  -1.518   1.802
  217   1HB   CYS  32          HB2       CYS  32  -3.616  -1.945   2.101
  218   2HB   CYS  32          HB1       CYS  32  -2.830  -0.569   2.880
  219    H    ILE  33           HN       ILE  33  -0.162  -0.850   3.922
  220    HA   ILE  33           HA       ILE  33  -1.180  -2.434   6.195
  221    HB   ILE  33           HB       ILE  33   1.186  -2.788   7.007
  222   1HG1  ILE  33          HG12      ILE  33   1.892  -1.051   5.101
  223   2HG1  ILE  33          HG11      ILE  33   2.991  -2.290   5.680
  224   1HG2  ILE  33          HG21      ILE  33   1.574  -4.760   5.513
  225   2HG2  ILE  33          HG22      ILE  33   0.298  -4.161   4.452
  226   3HG2  ILE  33          HG23      ILE  33  -0.086  -4.654   6.101
  227   1HD1  ILE  33          HD11      ILE  33   2.755  -2.050   3.131
  228   2HD1  ILE  33          HD12      ILE  33   1.146  -2.744   3.327
  229   3HD1  ILE  33          HD13      ILE  33   2.571  -3.679   3.781
  230    H    HIS  34           HN       HIS  34  -0.880  -1.332   8.160
  231    HA   HIS  34           HA       HIS  34   0.246   1.423   7.957
  232   1HB   HIS  34          HB2       HIS  34  -1.529   2.279   9.388
  233   2HB   HIS  34          HB1       HIS  34  -2.250   1.494   7.991
  234    HD1  HIS  34           HD1      HIS  34  -3.035   1.779  11.311
  235    HD2  HIS  34           HD2      HIS  34  -2.394  -1.573   8.930
  236    HE1  HIS  34           HE1      HIS  34  -4.187  -0.152  12.477
  237    HA   PRO  35           HA       PRO  35   2.355  -0.762  11.313
  238   1HB   PRO  35          HB2       PRO  35   4.735   0.527  10.889
  239   2HB   PRO  35          HB1       PRO  35   4.234  -0.914   9.980
  240   1HG   PRO  35          HG2       PRO  35   4.125   1.974   9.149
  241   2HG   PRO  35          HG1       PRO  35   4.531   0.541   8.184
  242   1HD   PRO  35          HD2       PRO  35   2.051   1.734   8.123
  243   2HD   PRO  35          HD1       PRO  35   2.306   0.010   7.790
  244    H    THR  36           HN       THR  36   3.678   0.385  13.162
  245    HA   THR  36           HA       THR  36   2.005   2.606  14.094
  246    HB   THR  36           HB       THR  36   4.323   2.060  15.756
  247    HG1  THR  36           HG1      THR  36   2.629  -0.147  15.321
  248   1HG2  THR  36          HG21      THR  36   2.306   3.038  16.642
  249   2HG2  THR  36          HG22      THR  36   2.477   1.435  17.358
  250   3HG2  THR  36          HG23      THR  36   1.331   1.696  16.042
  251    H    GLY  37           HN       GLY  37   2.823   4.705  14.645
  252   1HA   GLY  37          HA2       GLY  37   5.504   5.362  13.512
  253   2HA   GLY  37          HA1       GLY  37   4.098   6.331  13.066