*HEADER   DNA-BINDING PROTEIN                     15-AUG-96   1IDY    
*TITLE    STRUCTURE OF MYB TRANSFORMING PROTEIN, NMR, MINIMIZED       
*TITLE   2 AVERAGE STRUCTURE                                          
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: MOUSE C-MYB DNA-BINDING DOMAIN REPEAT 3;         
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 MUTATION: P140M, I155L                                     
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                         
*SOURCE  3 ORGANISM_COMMON: MOUSE;                                    
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_PLASMID: PRP3;                           
*SOURCE  6 EXPRESSION_SYSTEM_VECTOR: PAR2156NCOI                      
*KEYWDS   PROTOONCOGENE PRODUCT, DNA-BINDING PROTEIN                  
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   K.FURUKAWA,M.ODA,H.NAKAMURA                                 
*REVDAT  1   23-DEC-96 1IDY    0                                      

RDDSTC> LIST
; HA(i)-HN(i+1) / S=3.0, M=4.0, W=4.5
   1    6   THR  HA     1    7   SER  HN     1.0  1.0  -2.0  3.0 ; S
   1    7   SER  HA     1    8   TRP  HN     1.0  1.0  -2.0  4.0 ; M
   1    8   TRP  HA     1    9   THR  HN     1.0  1.0  -2.0  4.0 ; M
   1    9   THR  HA     1   10   GLU- HN     1.0  1.0  -2.0  3.0 ; S 
   1   11   GLU- HA     1   12   GLU- HN     1.0  1.0  -2.0  4.5 ; W
   1   12   GLU- HA     1   13   ASP- HN     1.0  1.0  -2.0  4.5 ; W
   1   14   ARG+ HA     1   15   ILE  HN     1.0  1.0  -2.0  4.5 ; W
   1   15   ILE  HA     1   16   LEU  HN     1.0  1.0  -2.0  4.0 ; M
   1   16   LEU  HA     1   17   TYR  HN     1.0  1.0  -2.0  4.5 ; W
   1   17   TYR  HA     1   18   GLN  HN     1.0  1.0  -2.0  4.5 ; W
   1   18   GLN  HA     1   19   ALA  HN     1.0  1.0  -2.0  4.5 ; W
   1   19   ALA  HA     1   20   HIS  HN     1.0  1.0  -2.0  4.0 ; M
   1   20   HIS  HA     1   21   LYS+ HN     1.0  1.0  -2.0  4.5 ; W
   1   21   LYS+ HA     1   22   ARG+ HN     1.0  1.0  -2.0  4.5 ; W 
   1   22   ARG+ HA     1   23   LEU  HN     1.0  1.0  -2.0  4.5 ; W
   1   23   LEU  HA     1   24   GLY  HN     1.0  1.0  -2.0  4.5 ; W
   1   24   GLY  HA*    1   25   ASN  HN     1.0  1.0  -2.0  4.0 ; S+1.0
   1   25   ASN  HA     1   26   ARG+ HN     1.0  1.0  -2.0  4.0 ; M
   1   26   ARG+ HA     1   27   TRP  HN     1.0  1.0  -2.0  4.0 ; M
   1   27   TRP  HA     1   28   ALA  HN     1.0  1.0  -2.0  4.5 ; W
   1   28   ALA  HA     1   29   GLU- HN     1.0  1.0  -2.0  4.0 ; M
   1   29   GLU- HA     1   30   ILE  HN     1.0  1.0  -2.0  4.0 ; M
   1   30   ILE  HA     1   31   ALA  HN     1.0  1.0  -2.0  4.5 ; W
   1   31   ALA  HA     1   32   LYS+ HN     1.0  1.0  -2.0  4.5 ; W
   1   32   LYS+ HA     1   33   LEU  HN     1.0  1.0  -2.0  4.0 ; M
   1   33   LEU  HA     1   34   LEU  HN     1.0  1.0  -2.0  4.0 ; M
   1   35   PRO  HA     1   36   GLY  HN     1.0  1.0  -2.0  4.0 ; S+1.0
   1   36   GLY  HA*    1   37   ARG+ HN     1.0  1.0  -2.0  4.5 ; W  
   1   38   THR  HA     1   39   ASP- HN     1.0  1.0  -2.0  3.0 ; S
   1   39   ASP- HA     1   40   ASN  HN     1.0  1.0  -2.0  4.5 ; W
   1   40   ASN  HA     1   41   ALA  HN     1.0  1.0  -2.0  4.5 ; W
   1   41   ALA  HA     1   42   ILE  HN     1.0  1.0  -2.0  4.5 ; W
   1   42   ILE  HA     1   43   LYS+ HN     1.0  1.0  -2.0  4.5 ; W
   1   43   LYS+ HA     1   44   ASN  HN     1.0  1.0  -2.0  4.5 ; W
   1   44   ASN  HA     1   45   HIS  HN     1.0  1.0  -2.0  4.5 ; W
   1   45   HIS  HA     1   46   TRP  HN     1.0  1.0  -2.0  4.5 ; W
   1   46   TRP  HA     1   47   ASN  HN     1.0  1.0  -2.0  4.5 ; W
   1   47   ASN  HA     1   48   SER  HN     1.0  1.0  -2.0  4.5 ; W
   1   48   SER  HA     1   49   THR  HN     1.0  1.0  -2.0  4.0 ; M
   1   49   THR  HA     1   50   MET  HN     1.0  1.0  -2.0  4.0 ; M
   1   50   MET  HA     1   51   ARG+ HN     1.0  1.0  -2.0  4.0 ; M
   1   51   ARG+ HA     1   52   ARG+ HN     1.0  1.0  -2.0  3.0 ; S
; HN(i)-HN(i+1) / S=3.7, M=4.3, W=5.0
   1   10   GLU- HN     1   11   GLU- HN     1.0  1.0  -2.0  4.3 ; M
   1   11   GLU- HN     1   12   GLU- HN     1.0  1.0  -2.0  3.7 ; S
   1   12   GLU- HN     1   13   ASP- HN     1.0  1.0  -2.0  3.7 ; S
   1   13   ASP- HN     1   14   ARG+ HN     1.0  1.0  -2.0  4.3 ; M
   1   14   ARG+ HN     1   15   ILE  HN     1.0  1.0  -2.0  4.3 ; MW
   1   15   ILE  HN     1   16   LEU  HN     1.0  1.0  -2.0  3.7 ; S
   1   16   LEU  HN     1   17   TYR  HN     1.0  1.0  -2.0  5.0 ; W
   1   17   TYR  HN     1   18   GLN  HN     1.0  1.0  -2.0  3.7 ; S
   1   18   GLN  HN     1   19   ALA  HN     1.0  1.0  -2.0  3.7 ; S
   1   19   ALA  HN     1   20   HIS  HN     1.0  1.0  -2.0  3.7 ; S
   1   20   HIS  HN     1   21   LYS+ HN     1.0  1.0  -2.0  3.7 ; S 
   1   21   LYS+ HN     1   22   ARG+ HN     1.0  1.0  -2.0  3.7 ; S
   1   22   ARG+ HN     1   23   LEU  HN     1.0  1.0  -2.0  3.7 ; S
   1   23   LEU  HN     1   24   GLY  HN     1.0  1.0  -2.0  3.7 ; S
   1   25   ASN  HN     1   26   ARG+ HN     1.0  1.0  -2.0  5.0 ; W
   1   26   ARG+ HN     1   27   TRP  HN     1.0  1.0  -2.0  5.0 ; W
   1   27   TRP  HN     1   28   ALA  HN     1.0  1.0  -2.0  4.3 ; M
   1   28   ALA  HN     1   29   GLU- HN     1.0  1.0  -2.0  3.7 ; S
   1   29   GLU- HN     1   30   ILE  HN     1.0  1.0  -2.0  3.7 ; S
   1   30   ILE  HN     1   31   ALA  HN     1.0  1.0  -2.0  3.7 ; S
   1   31   ALA  HN     1   32   LYS+ HN     1.0  1.0  -2.0  3.7 ; S
   1   32   LYS+ HN     1   33   LEU  HN     1.0  1.0  -2.0  3.7 ; S
   1   33   LEU  HN     1   34   LEU  HN     1.0  1.0  -2.0  3.7 ; S
   1   36   GLY  HN     1   37   ARG+ HN     1.0  1.0  -2.0  5.0 ; W
   1   39   ASP- HN     1   40   ASN  HN     1.0  1.0  -2.0  5.0 ; W
   1   40   ASN  HN     1   41   ALA  HN     1.0  1.0  -2.0  3.7 ; S
   1   41   ALA  HN     1   42   ILE  HN     1.0  1.0  -2.0  3.7 ; S
   1   42   ILE  HN     1   43   LYS+ HN     1.0  1.0  -2.0  3.7 ; S
   1   43   LYS+ HN     1   44   ASN  HN     1.0  1.0  -2.0  3.7 ; S
   1   44   ASN  HN     1   45   HIS  HN     1.0  1.0  -2.0  4.3 ; M 
   1   45   HIS  HN     1   46   TRP  HN     1.0  1.0  -2.0  3.7 ; S
   1   46   TRP  HN     1   47   ASN  HN     1.0  1.0  -2.0  3.7 ; S
   1   47   ASN  HN     1   48   SER  HN     1.0  1.0  -2.0  3.7 ; S
   1   48   SER  HN     1   49   THR  HN     1.0  1.0  -2.0  4.3 ; M
; HB(i)-HN(i+1) / S=4.0, M=5.0, W=6.0
   1    9   THR  HB     1   10   GLU- HN     1.0  1.0  -2.0  6.0 ; W
   1   10   GLU- HB1    1   11   GLU- HN     1.0  1.0  -2.0  5.0 ;
   1   10   GLU- HB2    1   11   GLU- HN     1.0  1.0  -2.0  4.0 ; 
   1   11   GLU- HB*    1   12   GLU- HN     1.0  1.0  -2.0  6.0 ; M
   1   12   GLU- HB*    1   13   ASP- HN     1.0  1.0  -2.0  6.0 ; S/B'+1.0
   1   13   ASP- HB1    1   14   ARG+ HN     1.0  1.0  -2.0  6.0 ; W
   1   13   ASP- HB2    1   14   ARG+ HN     1.0  1.0  -2.0  5.0 ; M
   1   14   ARG+ HB*    1   15   ILE  HN     1.0  1.0  -2.0  6.0 ; M
   1   15   ILE  HB     1   16   LEU  HN     1.0  1.0  -2.0  4.0 ; S
   1   16   LEU  HB*    1   17   TYR  HN     1.0  1.0  -2.0  6.0 ; M
   1   17   TYR  HB1    1   18   GLN  HN     1.0  1.0  -2.0  5.0 ; M
   1   18   GLN  HB*    1   19   ALA  HN     1.0  1.0  -2.0  6.0 ; M
   1   19   ALA  HB*    1   20   HIS  HN     1.0  1.0  -2.0  5.5 ; S
   1   20   HIS  HB1    1   21   LYS+ HN     1.0  1.0  -2.0  6.5 ; W
   1   20   HIS  HB2    1   21   LYS+ HN     1.0  1.0  -2.0  5.0 ; S  +1.0
   1   21   LYS+ HB*    1   22   ARG+ HN     1.0  1.0  -2.0  7.0 ; W
   1   22   ARG+ HB*    1   23   LEU  HN     1.0  1.0  -2.0  5.0 ; S
   1   23   LEU  HB*    1   24   GLY  HN     1.0  1.0  -2.0  6.0 ; M
   1   25   ASN  HB*    1   26   ARG+ HN     1.0  1.0  -2.0  7.0 ; W
   1   27   TRP  HB1    1   28   ALA  HN     1.0  1.0  -2.0  5.0 ; M
   1   27   TRP  HB2    1   28   ALA  HN     1.0  1.0  -2.0  6.0 ; W
   1   28   ALA  HB*    1   29   GLU- HN     1.0  1.0  -2.0  5.5 ; S
   1   29   GLU- HB*    1   30   ILE  HN     1.0  1.0  -2.0  5.0 ; S
   1   30   ILE  HB     1   31   ALA  HN     1.0  1.0  -2.0  5.0 ; M
   1   31   ALA  HB*    1   32   LYS+ HN     1.0  1.0  -2.0  5.5 ; S
   1   32   LYS+ HB*    1   33   LEU  HN     1.0  1.0  -2.0  7.0 ; W
   1   33   LEU  HB*    1   34   LEU  HN     1.0  1.0  -2.0  6.0 ; M
   1   38   THR  HB     1   39   ASP- HN     1.0  1.0  -2.0  5.0 ; M
   1   39   ASP- HB*    1   40   ASN  HN     1.0  1.0  -2.0  7.0 ; W
   1   40   ASN  HB*    1   41   ALA  HN     1.0  1.0  -2.0  6.0 ; M
   1   41   ALA  HB*    1   42   ILE  HN     1.0  1.0  -2.0  6.5 ; M
   1   42   ILE  HB     1   43   LYS+ HN     1.0  1.0  -2.0  5.0 ; M
   1   43   LYS+ HB1    1   44   ASN  HN     1.0  1.0  -2.0  5.0 ; 
   1   43   LYS+ HB2    1   44   ASN  HN     1.0  1.0  -2.0  4.0 ; 
   1   44   ASN  HB*    1   45   HIS  HN     1.0  1.0  -2.0  6.0 ; M
   1   45   HIS  HB1    1   46   TRP  HN     1.0  1.0  -2.0  4.0 ; S
   1   45   HIS  HB2    1   46   TRP  HN     1.0  1.0  -2.0  6.0 ; w
   1   46   TRP  HB2    1   47   ASN  HN     1.0  1.0  -2.0  4.0 ; S
   1   46   TRP  HB1    1   47   ASN  HN     1.0  1.0  -2.0  6.0 ; W
   1   47   ASN  HB*    1   48   SER  HN     1.0  1.0  -2.0  6.0 ; M
   1   49   THR  HB     1   50   MET  HN     1.0  1.0  -2.0  5.0 ; M
; HN(i)-HN(i+2) / S=3.0, M=4.0, W=6.5  only observed in 150ms experiments!
   1   19   ALA  HN     1   21   LYS+ HN     1.0  1.0  -2.0  6.5 ;W
   1   21   LYS+ HN     1   23   LEU  HN     1.0  1.0  -2.0  6.5 ;W
   1   29   GLU- HN     1   31   ALA  HN     1.0  1.0  -2.0  6.5 ;W
; HA(i)-HN(i+2) / S=4.0, M=5.0, W=6.0
   1   22   ARG+ HA     1   24   GLY  HN     1.0  1.0  -2.0  6.0 ; W
   1   30   ILE  HA     1   32   LYS+ HN     1.0  1.0  -2.0  6.0 ; W
   1   35   PRO  HA     1   37   ARG+ HN     1.0  1.0  -2.0  6.0 ; W
   1   37   ARG+ HA     1   39   ASP- HN     1.0  1.0  -2.0  7.0 ; W +1.0
; HA(i)-HN(i+3) / S=4.0, M=5.0, W=6.0
   1   10   GLU- HA     1   13   ASP- HN     1.0  1.0  -2.0  5.5 ; M +0.5
   1   11   GLU- HA     1   14   ARG+ HN     1.0  1.0  -2.0  5.5 ; M +0.5
   1   12   GLU- HA     1   15   ILE  HN     1.0  1.0  -2.0  6.0 ; W/150ms
   1   14   ARG+ HA     1   17   TYR  HN     1.0  1.0  -2.0  5.0 ; M
   1   15   ILE  HA     1   18   GLN  HN     1.0  1.0  -2.0  6.0 ; W
   1   16   LEU  HA     1   19   ALA  HN     1.0  1.0  -2.0  5.0 ; M
   1   17   TYR  HA     1   20   HIS  HN     1.0  1.0  -2.0  6.0 ; W
   1   18   GLN  HA     1   21   LYS+ HN     1.0  1.0  -2.0  5.0 ; M
   1   19   ALA  HA     1   22   ARG+ HN     1.0  1.0  -2.0  6.0 ; W
   1   20   HIS  HA     1   23   LEU  HN     1.0  1.0  -2.0  5.0 ; M
   1   27   TRP  HA     1   30   ILE  HN     1.0  1.0  -2.0  5.0 ; M
   1   28   ALA  HA     1   31   ALA  HN     1.0  1.0  -2.0  6.0 ; W
   1   29   GLU- HA     1   32   LYS+ HN     1.0  1.0  -2.0  6.0 ; W
   1   30   ILE  HA     1   33   LEU  HN     1.0  1.0  -2.0  6.0 ; W
   1   31   ALA  HA     1   34   LEU  HN     1.0  1.0  -2.0  5.0 ; M
   1   39   ASP- HA     1   42   ILE  HN     1.0  1.0  -2.0  6.0 ; W
   1   40   ASN  HA     1   43   LYS+ HN     1.0  1.0  -2.0  5.0 ; M
   1   41   ALA  HA     1   44   ASN  HN     1.0  1.0  -2.0  5.0 ; M
   1   42   ILE  HA     1   45   HIS  HN     1.0  1.0  -2.0  6.0 ; W
   1   43   LYS+ HA     1   46   TRP  HN     1.0  1.0  -2.0  5.0 ; M
   1   44   ASN  HA     1   47   ASN  HN     1.0  1.0  -2.0  6.0 ; W
   1   47   ASN  HA     1   50   MET  HN     1.0  1.0  -2.0  6.0 ; W
; HA(i)-HB(i+3) / S=4.0, M=5.0, W=6.0
   1   10   GLU- HA     1   13   ASP- HB*    1.0  1.0  -2.0  6.5 ; M +0.5
   1   12   GLU- HA     1   15   ILE  HB     1.0  1.0  -2.0  5.0 ; M
   1   13   ASP- HA     1   16   LEU  HB*    1.0  1.0  -2.0  5.0 ; W -2
   1   14   ARG+ HA     1   17   TYR  HB1    1.0  1.0  -2.0  6.0 ; W
   1   15   ILE  HA     1   18   GLN  HB1    1.0  1.0  -2.0  6.0 ; W
   1   16   LEU  HA     1   19   ALA  HB*    1.0  1.0  -2.0  6.5 ; M
   1   17   TYR  HA     1   20   HIS  HB2    1.0  1.0  -2.0  6.0 ; W
   1   18   GLN  HA     1   21   LYS+ HB*    1.0  1.0  -2.0  6.0 ; M
   1   19   ALA  HA     1   22   ARG+ HB*    1.0  1.0  -2.0  6.0 ; M
   1   20   HIS  HA     1   23   LEU  HB2    1.0  1.0  -2.0  6.0 ; W
   1   39   ASP- HA     1   42   ILE  HB     1.0  1.0  -2.0  5.5 ; M+0.5
   1   40   ASN  HA     1   43   LYS+ HB1    1.0  1.0  -2.0  6.0 ; W
   1   40   ASN  HA     1   43   LYS+ HB2    1.0  1.0  -2.0  6.0 ; 
   1   41   ALA  HA     1   44   ASN  HB*    1.0  1.0  -2.0  6.0 ; M
   1   42   ILE  HA     1   45   HIS  HB*    1.0  1.0  -2.0  7.0 ; W
   1   44   ASN  HA     1   47   ASN  HB*    1.0  1.0  -2.0  7.0 ; W
; HA(i)-HN(i+4) / S=4.0, M=5.0, W=6.0
   1   12   GLU- HA     1   16   LEU  HN     1.0  1.0  -2.0  6.0 ; W
   1   14   ARG+ HA     1   18   GLN  HN     1.0  1.0  -2.0  6.0 ; W
   1   15   ILE  HA     1   19   ALA  HN     1.0  1.0  -2.0  6.0 ; W
   1   16   LEU  HA     1   20   HIS  HN     1.0  1.0  -2.0  6.0 ; W
   1   17   TYR  HA     1   21   LYS+ HN     1.0  1.0  -2.0  6.0 ; W
   1   20   HIS  HA     1   24   GLY  HN     1.0  1.0  -2.0  5.0 ; M
   1   27   TRP  HA     1   31   ALA  HN     1.0  1.0  -2.0  6.0 ; W
   1   40   ASN  HA     1   44   ASN  HN     1.0  1.0  -2.0  6.0 ; W
   1   41   ALA  HA     1   45   HIS  HN     1.0  1.0  -2.0  6.0 ; W
   1   43   LYS+ HA     1   47   ASN  HN     1.0  1.0  -2.0  6.0 ; W
   1   47   ASN  HA     1   51   ARG+ HN     1.0  1.0  -2.0  6.0 ; W
; HN(i)-others : Inter-residue / S=4.0, M=5.0, W=6.0
   1    9   THR  HN     1   12   GLU- HB*    1.0  1.0  -2.0  7.0 ; W/B'
   1   10   GLU- HN     1    9   THR  HG2*   1.0  1.0  -2.0  6.5 ; M
   1   16   LEU  HN     1   15   ILE  HG12   1.0  1.0  -2.0  5.0 ; M
   1   16   LEU  HN     1   15   ILE  HG2*   1.0  1.0  -2.0  6.5 ; M
   1   19   ALA  HN     1   16   LEU  HB1    1.0  1.0  -2.0  6.0 ; M
   1   19   ALA  HN     1   16   LEU  HB2    1.0  1.0  -2.0  7.0 ; W
   1   19   ALA  HN     1   16   LEU  HG     1.0  1.0  -2.0  6.0 ; W
   1   20   HIS  HN     1   30   ILE  HD1*   1.0  1.0  -2.0  7.5 ; W
   1   21   LYS+ HN     1   23   LEU  HD2*   1.0  1.0  -2.0  6.5 ; M
   1   26   ARG+ HN     1   30   ILE  HD1*   1.0  1.0  -2.0  6.5 ; M
   1   28   ALA  HN     1   39   ASP- HB*    1.0  1.0  -2.0  7.0 ; W
   1   29   GLU- HN     1   26   ARG+ HB1    1.0  1.0  -2.0  6.0 ; W
   1   30   ILE  HN     1   26   ARG+ HB2    1.0  1.0  -2.0  6.0 ; W
   1   31   ALA  HN     1   30   ILE  HG11   1.0  1.0  -2.0  6.0 ; W
   1   39   ASP- HN     1   38   THR  HG2*   1.0  1.0  -2.0  7.5 ; W
   1   43   LYS+ HN     1   42   ILE  HG2*   1.0  1.0  -2.0  7.5 ; W
   1   44   ASN  HN     1   41   ALA  HB*    1.0  1.0  -2.0  5.5 ; S
   1   44   ASN  HN     1   43   LYS+ HG*    1.0  1.0  -2.0  6.0 ; M
   1   50   MET  HN     1   49   THR  HG2*   1.0  1.0  -2.0  7.5 ; W
; HA(i)-others : Inter-residue / S=4.0, M=5.0, W=6.0
   1    6   THR  HA     1    5   LYS+ HB*    1.0  1.0  -2.0  7.0 ; W
   1    7   SER  HA     1    6   THR  HG2*   1.0  1.0  -2.0  7.5 ; W
   1    9   THR  HA     1    8   TRP  HB1    1.0  1.0  -2.0  6.0 ; W
   1   11   GLU- HA     1   10   GLU- HB2    1.0  1.0  -2.0  6.0 ; 
   1   12   GLU- HA     1   37   ARG+ HG*    1.0  1.0  -2.0  7.0 ; M/G'+1.0
   1   31   ALA  HA     1   34   LEU  HB1    1.0  1.0  -2.0  6.0 ; W
   1   12   GLU- HA     1   34   LEU  HD2*   1.0  1.0  -2.0  6.5 ; M/D
   1   14   ARG+ HA     1   10   GLU- HB2    1.0  1.0  -2.0  7.0 ; M
   1   14   ARG+ HA     1   17   TYR  HB2    1.0  1.0  -2.0  5.0 ; M
   1   15   ILE  HB     1   34   LEU  HD2*   1.0  1.0  -2.0  6.5 ; M/34D
   1   16   LEU  HA     1   20   HIS  HB2    1.0  1.0  -2.0  6.5 ; W +0.5
   1   17   TYR  HA     1   20   HIS  HB1    1.0  1.0  -2.0  5.0 ;
   1   18   GLN  HA     1   21   LYS+ HD*    1.0  1.0  -2.0  8.0 ; W
   1   19   ALA  HA     1   16   LEU  HD1*   1.0  1.0  -2.0  8.0 ; W +0.5
   1   19   ALA  HA     1   22   ARG+ HD*    1.0  1.0  -2.0  6.0 ; W
   1   19   ALA  HA     1   23   LEU  HG     1.0  1.0  -2.0  6.0 ; W
   1   19   ALA  HA     1   33   LEU  HD*    1.0  1.0  -2.0  9.9 ; W
   1   20   HIS  HA     1   30   ILE  HD1*   1.0  1.0  -2.0  6.5 ; M
   1   21   LYS+ HA     1   25   ASN  HB*    1.0  1.0  -2.0  7.0 ; W/B'
   1   27   TRP  HA     1   30   ILE  HD1*   1.0  1.0  -2.0  6.5 ; M
   1   27   TRP  HA     1   39   ASP- HB*    1.0  1.0  -2.0  6.0 ; M
   1   28   ALA  HA     1   39   ASP- HA     1.0  1.0  -2.0  6.0 ;
   1   28   ALA  HA     1   39   ASP- HB*    1.0  1.0  -2.0  6.0 ; M
   1   28   ALA  HA     1   42   ILE  HD1*   1.0  1.0  -2.0  8.0 ;
   1   29   GLU- HA     1   32   LYS+ HE*    1.0  1.0  -2.0  7.0 ; W/E
   1   30   ILE  HA     1   23   LEU  HD2*   1.0  1.0  -2.0  6.5 ; M  
   1   30   ILE  HA     1   19   ALA  HB*    1.0  1.0  -2.0  6.5 ; M
   1   30   ILE  HA     1   33   LEU  HD*    1.0  1.0  -2.0  8.9 ; M/D'
   1   31   ALA  HA     1   30   ILE  HB     1.0  1.0  -2.0  5.0 ; M
   1   31   ALA  HA     1   42   ILE  HD1*   1.0  1.0  -2.0  6.5 ; M
   1   34   LEU  HA     1   31   ALA  HB*    1.0  1.0  -2.0  6.5 ; M
   1   34   LEU  HA     1   35   PRO  HD*    1.0  1.0  -2.0  6.0 ; M
   1   36   GLY  HA*    1   38   THR  HG2*   1.0  1.0  -2.0  8.5 ; W/A'
   1   37   ARG+ HA     1   42   ILE  HD1*   1.0  1.0  -2.0  7.5 ;
   1   38   THR  HA     1   42   ILE  HD1*   1.0  1.0  -2.0  7.5 ;
   1   39   ASP- HA     1   27   TRP  HB1    1.0  1.0  -2.0  5.0 ; M
   1   39   ASP- HA     1   27   TRP  HB2    1.0  1.0  -2.0  5.0 ; M
   1   39   ASP- HA     1   31   ALA  HB*    1.0  1.0  -2.0  6.5 ; M
   1   39   ASP- HA     1   42   ILE  HG12   1.0  1.0  -2.0  5.0 ; W-1   
   1   39   ASP- HA     1   42   ILE  HG2*   1.0  1.0  -2.0  7.5 ; W
   1   39   ASP- HA     1   42   ILE  HD1*   1.0  1.0  -2.0  4.5 ; M-2
   1   42   ILE  HA     1   16   LEU  HD1*   1.0  1.0  -2.0  7.0 ;
   1   42   ILE  HA     1   16   LEU  HD2*   1.0  1.0  -2.0  6.0 ;
   1   42   ILE  HA     1   41   ALA  HB*    1.0  1.0  -2.0  6.0 ;
   1   43   LYS+ HA     1   46   TRP  HB2    1.0  1.0  -2.0  5.0 ; M
   1   43   LYS+ HA     1   47   ASN  HB1    1.0  1.0  -2.0  6.0 ;
   1   43   LYS+ HA     1   47   ASN  HB2    1.0  1.0  -2.0  6.0 ;
   1   44   ASN  HA     1   43   LYS+ HB1    1.0  1.0  -2.0  5.5 ; M +0.5  
   1   44   ASN  HA     1   43   LYS+ HG*    1.0  1.0  -2.0  7.0 ; W
   1   44   ASN  HA     1   43   LYS+ HE*    1.0  1.0  -2.0  6.0 ; M/43E
   1   45   HIS  HA     1   48   SER  HB*    1.0  1.0  -2.0  6.0 ;
   1   46   TRP  HA     1   43   LYS+ HG*    1.0  1.0  -2.0  7.0 ; W
   1   46   TRP  HA     1   50   MET  HG*    1.0  1.0  -2.0  7.0 ; W/G'
   1   49   THR  HA     1   50   MET  HB*    1.0  1.0  -2.0  6.0 ; M
   1   49   THR  HA     1   50   MET  HG*    1.0  1.0  -2.0  7.0 ; W/G'
; Aromatic-Inter / S=4.0, M=5.0, W=6.0
   1   8    TRP  HD1    1    6   THR  HG2*   1.0  1.0  -2.0  7.5 ; W
   1   8    TRP  HD1    1    7   SER  HA     1.0  1.0  -2.0  5.0 ; S    +1.0
   1   8    TRP  HD1    1    7   SER  HB*    1.0  1.0  -2.0  6.0 ; M
   1   8    TRP  HD1    1   45   HIS  HB2    1.0  1.0  -2.0  6.0 ; W
   1   8    TRP  HE3    1   12   GLU- HB*    1.0  1.0  -2.0  6.0 ; M/B'
   1   8    TRP  HE3    1   12   GLU- HG*    1.0  1.0  -2.0  7.0 ; W/G
   1   8    TRP  HE3    1   13   ASP- HA     1.0  1.0  -2.0  6.0 ; W
   1   8    TRP  HE3    1   16   LEU  HD*    1.0  1.0  -2.0  8.9 ; M
   1   8    TRP  HE3    1   37   ARG+ HG*    1.0  1.0  -2.0  6.0 ; M/G'
   1   8    TRP  HZ3    1   12   GLU- HB*    1.0  1.0  -2.0  7,0 ; W/B'
   1   8    TRP  HZ3    1   13   ASP- HA     1.0  1.0  -2.0  6.0 ; W
   1   8    TRP  HZ3    1   16   LEU  HG     1.0  1.0  -2.0  5.0 ; M
   1   8    TRP  HZ3    1   16   LEU  HD*    1.0  1.0  -2.0  8.9 ; M
   1   8    TRP  HZ3    1   37   ARG+ HB*    1.0  1.0  -2.0  6.0 ; M/B
   1   8    TRP  HZ3    1   37   ARG+ HG*    1.0  1.0  -2.0  7.0 ; W/G M/G'
   1   8    TRP  HZ3    1   42   ILE  HG12   1.0  1.0  -2.0  5.0 ; M   
   1   8    TRP  HZ3    1   42   ILE  HG2*   1.0  1.0  -2.0  6.5 ; M
   1   8    TRP  HZ3    1   42   ILE  HD1*   1.0  1.0  -2.0  7.5 ; W
   1   8    TRP  HH2    1   16   LEU  HB*    1.0  1.0  -2.0  6.0 ; M
   1   8    TRP  HH2    1   42   ILE  HG11   1.0  1.0  -2.0  5.0 ; M  
   1   8    TRP  HH2    1   37   ARG+ HB*    1.0  1.0  -2.0  6.0 ; M/B
   1   8    TRP  HH2    1   37   ARG+ HG*    1.0  1.0  -2.0  7.0 ; W/G M/G'
   1   8    TRP  HH2    1   42   ILE  HA     1.0  1.0  -2.0  5.0 ; M
   1   8    TRP  HH2    1   42   ILE  HG12   1.0  1.0  -2.0  5.0 ; M   
   1   8    TRP  HH2    1   42   ILE  HG2*   1.0  1.0  -2.0  6.5 ; M
   1   8    TRP  HH2    1   42   ILE  HD1*   1.0  1.0  -2.0  7.5 ; W
   1   8    TRP  HZ2    1   37   ARG+ HD*    1.0  1.0  -2.0  6.0 ; M/D
   1   8    TRP  HZ2    1   16   LEU  HD2*   1.0  1.0  -2.0  6.5 ; M  
   1   8    TRP  HZ2    1   37   ARG+ HA     1.0  1.0  -2.0  6.0 ; W 
   1   8    TRP  HZ2    1   37   ARG+ HB*    1.0  1.0  -2.0  7.0 ; M/B W/B'
   1   8    TRP  HZ2    1   37   ARG+ HG*    1.0  1.0  -2.0  6.0 ; M
   1   8    TRP  HZ2    1   42   ILE  HA     1.0  1.0  -2.0  5.0 ; M
   1   8    TRP  HZ2    1   42   ILE  HG12   1.0  1.0  -2.0  5.0 ; M   
   1   8    TRP  HZ2    1   42   ILE  HG2*   1.0  1.0  -2.0  6.5 ; M
   1   8    TRP  HZ2    1   42   ILE  HD1*   1.0  1.0  -2.0  6.5 ; M
   1   8    TRP  HZ2    1   45   HIS  HA     1.0  1.0  -2.0  7.0 ; W
   1   8    TRP  HZ2    1   45   HIS  HB*    1.0  1.0  -2.0  6.0 ; M
   1  17    TYR  HD*    1   16   LEU  HG     1.0  1.0  -2.0  9.5 ; M
   1  17    TYR  HD*    1   18   GLN  HA     1.0  1.0  -2.0  9.5 ; M
   1  17    TYR  HD*    1   18   GLN  HG*    1.0  1.0  -2.0 10.5 ; M
   1  17    TYR  HD*    1   21   LYS+ HD*    1.0  1.0  -2.0 10.5 ; M/D
   1  17    TYR  HD*    1   50   MET  HB*    1.0  1.0  -2.0 10.5 ; M
   1  17    TYR  HD*    1   50   MET  HG*    1.0  1.0  -2.0 10.5 ; M/G S/G'
   1  17    TYR  HE*    1   20   HIS  HB*    1.0  1.0  -2.0 10.5 ; M
   1  17    TYR  HE*    1   50   MET  HA     1.0  1.0  -2.0 10.0 ; M +0.5
   1  17    TYR  HE*    1   51   ARG+ HA     1.0  1.0  -2.0  9.5 ; M
   1  17    TYR  HE*    1   50   MET  HG*    1.0  1.0  -2.0 10.5 ; M
   1  20    HIS  HE1    1   46   TRP  HZ2    1.0  1.0  -2.0  5.0 ; M
   1  20    HIS  HE1    1   24   GLY  HA*    1.0  1.0  -2.0  7.0 ; W/A
   1  20    HIS  HD2    1   46   TRP  HB1    1.0  1.0  -2.0  6.0 ; W  
   1  20    HIS  HD2    1   46   TRP  HD1    1.0  1.0  -2.0  6.0 ; W
   1  20    HIS  HD2    1   46   TRP  HZ2    1.0  1.0  -2.0  6.0 ; W
   1  20    HIS  HD2    1   16   LEU  HG     1.0  1.0  -2.0  6.0 ; W
   1  20    HIS  HD2    1   16   LEU  HD1*   1.0  1.0  -2.0  6.5 ; M   
   1  20    HIS  HD2    1   19   ALA  HB*    1.0  1.0  -2.0  6.5 ; M
   1  20    HIS  HD2    1   25   ASN  HA     1.0  1.0  -2.0  4.0 ; S
   1  20    HIS  HD2    1   27   TRP  HE3    1.0  1.0  -2.0  5.5 ; M   +0.5
   1  20    HIS  HD2    1   27   TRP  HZ3    1.0  1.0  -2.0  4.0 ; S
   1  20    HIS  HD2    1   27   TRP  HZ2    1.0  1.0  -2.0  5.0 ; M
   1  20    HIS  HD2    1   30   ILE  HG2*   1.0  1.0  -2.0  6.5 ; M
   1  20    HIS  HD2    1   30   ILE  HD1*   1.0  1.0  -2.0  6.5 ; M
   1  27    TRP  HD1    1   25   ASN  HA     1.0  1.0  -2.0  5.0 ; M
   1  27    TRP  HD1    1   39   ASP- HA     1.0  1.0  -2.0  6.0 ; W
   1  27    TRP  HD1    1   39   ASP- HB*    1.0  1.0  -2.0  6.0 ; M    +1.0
   1  27    TRP  HD1    1   43   LYS+ HB*    1.0  1.0  -2.0  6.0 ; M
   1  27    TRP  HD1    1   43   LYS+ HG*    1.0  1.0  -2.0  6.0 ; M/G  +1.0
   1  27    TRP  HD1    1   43   LYS+ HD*    1.0  1.0  -2.0  6.0 ; M/D S/D' +1.0
   1  27    TRP  HE3    1   19   ALA  HB*    1.0  1.0  -2.0  6.5 ; M
   1  27    TRP  HE3    1   30   ILE  HB     1.0  1.0  -2.0  4.0 ; S
   1  27    TRP  HE3    1   30   ILE  HG2*   1.0  1.0  -2.0  7.5 ; W    +1.5
   1  27    TRP  HE3    1   42   ILE  HG2*   1.0  1.0  -2.0  6.5 ; M    +1.5
   1  46    TRP  HZ3    1   16   LEU  HG     1.0  1.0  -2.0  4.0 ; S
   1  27    TRP  HZ3    1   30   ILE  HG2*   1.0  1.0  -2.0  7.5 ; W    +1.5
   1  27    TRP  HZ3    1   30   ILE  HD1*   1.0  1.0  -2.0  6.5 ; M    +1.5
   1  27    TRP  HH2    1   43   LYS+ HA     1.0  1.0  -2.0  5.0 ; M
   1  27    TRP  HH2    1   25   ASN  HA     1.0  1.0  -2.0  6.0 ; W
   1  27    TRP  HZ2    1   46   TRP  HD1    1.0  1.0  -2.0  5.0 ; M
   1  27    TRP  HZ2    1   25   ASN  HB*    1.0  1.0  -2.0  6.0 ; M/B 
   1  27    TRP  HZ2    1   43   LYS+ HA     1.0  1.0  -2.0  5.0 ; M
   1  27    TRP  HZ2    1   42   ILE  HD1*   1.0  1.0  -2.0  7.5 ; W    +1.5
   1  27    TRP  HZ2    1   43   LYS+ HG*    1.0  1.0  -2.0  6.0 ; M/G  +1.0
   1  27    TRP  HZ2    1   43   LYS+ HD*    1.0  1.0  -2.0  7.0 ; W/D' +1.0
   1  45    HIS  HE1    1   16   LEU  HD2*   1.0  1.0  -2.0  6.5 ; M
   1  45    HIS  HE1    1    8   TRP  HA     1.0  1.0  -2.0  6.0 ; M    +1.0
   1  45    HIS  HE1    1    8   TRP  HB2    1.0  1.0  -2.0  5.0 ; S    +1.0
   1  45    HIS  HE1    1    8   TRP  HB1    1.0  1.0  -2.0  6.0 ; M    +1.0
   1  45    HIS  HE1    1    8   TRP  HD1    1.0  1.0  -2.0  5.0 ; M
   1  45    HIS  HE1    1    8   TRP  HE3    1.0  1.0  -2.0  5.5 ; M    +0.5
   1  45    HIS  HE1    1   49   THR  HB     1.0  1.0  -2.0  5.0 ; M
   1  45    HIS  HE1    1   49   THR  HG2*   1.0  1.0  -2.0  5.5 ; S    +1.5
   1  45    HIS  HE1    1   50   MET  HG*    1.0  1.0  -2.0  7.0 ; W/G' +1.0
   1  45    HIS  HD2    1   46   TRP  HZ3    1.0  1.0  -2.0  6.5 ; W    +0.5
   1  45    HIS  HD2    1   16   LEU  HG     1.0  1.0  -2.0  5.0 ; M
   1  45    HIS  HD2    1   16   LEU  HD2*   1.0  1.0  -2.0  5.5 ; S
   1  45    HIS  HD2    1    8   TRP  HE3    1.0  1.0  -2.0  5.0 ; M
   1  45    HIS  HD2    1    8   TRP  HZ3    1.0  1.0  -2.0  5.0 ; M
   1  45    HIS  HD2    1    8   TRP  HH2    1.0  1.0  -2.0  6.0 ; W
   1  45    HIS  HD2    1    8   TRP  HZ2    1.0  1.0  -2.0  6.0 ; W
   1  45    HIS  HD2    1   49   THR  HG2*   1.0  1.0  -2.0  6.5 ; M    +1.5
   1  45    HIS  HD2    1   50   MET  HG*    1.0  1.0  -2.0  6.0 ; M/G' +1.0
   1  46    TRP  HD1    1   20   HIS  HB2    1.0  1.0  -2.0  8.0 ; W    +2.0
   1  46    TRP  HD1    1   43   LYS+ HA     1.0  1.0  -2.0  5.0 ; M
   1  46    TRP  HD1    1   47   ASN  HA     1.0  1.0  -2.0  5.0 ; S    +1.0
   1  46    TRP  HD1    1   50   MET  HG*    1.0  1.0  -2.0  7.0 ; M/G W/G' +1.0
   1  46    TRP  HE3    1   16   LEU  HD1*   1.0  1.0  -2.0  7.5 ; W      
   1  46    TRP  HE3    1   20   HIS  HB2    1.0  1.0  -2.0  7.0 ; W    +1.0
   1  46    TRP  HZ3    1   16   LEU  HD1*   1.0  1.0  -2.0  6.5 ; M    
   1  46    TRP  HZ3    1   16   LEU  HD2*   1.0  1.0  -2.0  6.5 ; M    
   1  46    TRP  HZ3    1   20   HIS  HB1    1.0  1.0  -2.0  6.0 ; W
   1  46    TRP  HZ2    1   16   LEU  HG     1.0  1.0  -2.0  6.0 ; W
   1  46    TRP  HZ2    1   17   TYR  HA     1.0  1.0  -2.0  5.0 ; M
   1  46    TRP  HZ2    1   17   TYR  HB1    1.0  1.0  -2.0  6.0 ; W    
   1  46    TRP  HZ2    1   17   TYR  HB2    1.0  1.0  -2.0  6.5 ; W +0.5   
   1  46    TRP  HZ2    1   20   HIS  HB1    1.0  1.0  -2.0  5.0 ; M    
   1  46    TRP  HZ2    1   20   HIS  HB2    1.0  1.0  -2.0  5.0 ; M    
   1  46    TRP  HZ2    1   50   MET  HB*    1.0  1.0  -2.0  7.0 ; W    +1.0
   1  46    TRP  HZ2    1   50   MET  HG*    1.0  1.0  -2.0  6.0 ; M    +1.0
;  Inter side chains / S=4.0, M=5.0, W=6.0
   1    9   THR  HB     1   11   GLU- HB*    1.0  1.0  -2.0  6.0 ; M/B
   1    9   THR  HB     1   12   GLU- HB*    1.0  1.0  -2.0  6.0 ;
   1    9   THR  HB     1   12   GLU- HG*    1.0  1.0  -2.0  7.0 ; W/12G'
   1    9   THR  HG2*   1   11   GLU- HB*    1.0  1.0  -2.0  8.5 ; W/11B
   1   12   GLU- HB*    1   13   ASP- HB2    1.0  1.0  -2.0  7.0 ; W/12B
   1   12   GLU- HB*    1   37   ARG+ HG*    1.0  1.0  -2.0  8.0 ; W/37G'
   1   14   ARG+ HG*    1   15   ILE  HD1*   1.0  1.0  -2.0  8.5 ; W/14G
   1   15   ILE  HB     1   34   LEU  HD*    1.0  1.0  -2.0  8.9 ; M/34D
   1   16   LEU  HG     1   46   TRP  HB2    1.0  1.0  -2.0  6.0 ; w
   1   16   LEU  HD1*   1   20   HIS  HB1    1.0  1.0  -2.0  7.5 ; W
   1   16   LEU  HD1*   1   30   ILE  HG11   1.0  1.0  -2.0  7.5 ; W
   1   16   LEU  HD1*   1   30   ILE  HG2*   1.0  1.0  -2.0  9.0 ; W
   1   16   LEU  HD1*   1   46   TRP  HB1    1.0  1.0  -2.0  8.0 ;
   1   16   LEU  HD1*   1   46   TRP  HB2    1.0  1.0  -2.0  9.0 ;
   1   16   LEU  HD2*   1   42   ILE  HG12   1.0  1.0  -2.0  6.5 ; M
   1   16   LEU  HD2*   1   43   LYS+ HG*    1.0  1.0  -2.0  8.5 ; M +1.0
   1   16   LEU  HD2*   1   46   TRP  HA     1.0  1.0  -2.0  7.5 ; W
   1   16   LEU  HD2*   1   46   TRP  HB1    1.0  1.0  -2.0  6.5 ; M
   1   16   LEU  HD2*   1   46   TRP  HB2    1.0  1.0  -2.0  7.5 ; W
   1   16   LEU  HD2*   1   50   MET  HG*    1.0  1.0  -2.0  7.5 ; M/G'
   1   18   GLN  HB1    1   21   LYS+ HG*    1.0  1.0  -2.0  7.0 ; W/21G
   1   18   GLN  HB1    1   22   ARG+ HB*    1.0  1.0  -2.0  7.0 ; W/22B
   1   19   ALA  HB*    1   30   ILE  HG11   1.0  1.0  -2.0  6.5 ; M
   1   19   ALA  HB*    1   30   ILE  HG2*   1.0  1.0  -2.0  7.0 ; S
   1   19   ALA  HB*    1   33   LEU  HD*    1.0  1.0  -2.0 10.4 ; M/33D
   1   22   ARG+ HB*    1   33   LEU  HD*    1.0  1.0  -2.0  9.9 ; M/33D'
   1   23   LEU  HB2    1   26   ARG+ HD*    1.0  1.0  -2.0  6.0 ; M/26D
   1   23   LEU  HB2    1   30   ILE  HG11   1.0  1.0  -2.0  4.0 ; S
   1   23   LEU  HD1*   1   26   ARG+ HB1    1.0  1.0  -2.0  6.5 ; M
   1   23   LEU  HD1*   1   26   ARG+ HD*    1.0  1.0  -2.0  7.5 ; M/26D
   1   23   LEU  HD1*   1   29   GLU- HB*    1.0  1.0  -2.0  7.5 ; M/29B
   1   23   LEU  HD2*   1   26   ARG+ HB1    1.0  1.0  -2.0  7.5 ; W
   1   23   LEU  HD2*   1   26   ARG+ HD*    1.0  1.0  -2.0  8.5 ;
   1   25   ASN  HB2    1   30   ILE  HD1*   1.0  1.0  -2.0  7.0 ;
   1   26   ARG+ HD*    1   28   ALA  HB*    1.0  1.0  -2.0  8.5 ; W/26D
   1   27   TRP  HB2    1   42   ILE  HB     1.0  1.0  -2.0  5.0 ; M
   1   27   TRP  HB1    1   39   ASP- HB*    1.0  1.0  -2.0  5.0 ; S
   1   27   TRP  HB1    1   42   ILE  HB     1.0  1.0  -2.0  6.0 ; W
   1   27   TRP  HB2    1   39   ASP- HB*    1.0  1.0  -2.0  6.0 ; M
   1   27   TRP  HB2    1   42   ILE  HD1*   1.0  1.0  -2.0  6.0 ;
   1   29   GLU- HB*    1   30   ILE  HD1*   1.0  1.0  -2.0  8.5 ;
   1   30   ILE  HB     1   32   LYS+ HB*    1.0  1.0  -2.0  7.0 ; W
   1   30   ILE  HB     1   42   ILE  HD1*   1.0  1.0  -2.0  6.5 ; M
   1   30   ILE  HG2*   1   33   LEU  HG     1.0  1.0  -2.0  7.5 ;
   1   30   ILE  HG2*   1   42   ILE  HG2*   1.0  1.0  -2.0  7.0 ; S
   1   30   ILE  HD1*   1   42   ILE  HG12   1.0  1.0  -2.0 10.0 ;
   1   30   ILE  HD1*   1   42   ILE  HD1*   1.0  1.0  -2.0  9.0 ;
   1   31   ALA  HB*    1   33   LEU  HB*    1.0  1.0  -2.0  9.0 ; W  +0.5
   1   31   ALA  HB*    1   39   ASP- HB*    1.0  1.0  -2.0  8.5 ;
   1   31   ALA  HB*    1   38   THR  HG2*   1.0  1.0  -2.0  8.0 ; M
   1   31   ALA  HB*    1   42   ILE  HD1*   1.0  1.0  -2.0  8.0 ; M
   1   32   LYS+ HB*    1   33   LEU  HB*    1.0  1.0  -2.0  8.0 ; W
   1   32   LYS+ HE*    1   33   LEU  HD*    1.0  1.0  -2.0 10.0 ;
   1   33   LEU  HD*    1   34   LEU  HD1*   1.0  1.0  -2.0 10.4 ; M/33D,34D'
   1   34   LEU  HB1    1   37   ARG+ HB*    1.0  1.0  -2.0  6.5 ; M/34HB*
   1   34   LEU  HB2    1   37   ARG+ HB*    1.0  1.0  -2.0  6.5 ; M/34HB*
   1   34   LEU  HB1    1   42   ILE  HD1*   1.0  1.0  -2.0  7.5 ; W 
   1   34   LEU  HD1*   1   35   PRO  HD*    1.0  1.0  -2.0  8.5 ;
   1   34   LEU  HD2*   1   35   PRO  HD*    1.0  1.0  -2.0  8.5 ;
   1   34   LEU  HD1*   1   37   ARG+ HB*    1.0  1.0  -2.0  7.5 ; W/B'
   1   34   LEU  HD2*   1   37   ARG+ HB*    1.0  1.0  -2.0  7.5 ; W/B'
   1   34   LEU  HD1*   1   42   ILE  HD1*   1.0  1.0  -2.0  8.0 ; M/34D'
   1   37   ARG+ HB*    1   42   ILE  HG12   1.0  1.0  -2.0  6.0 ; W/37B -1.0
   1   37   ARG+ HB*    1   42   ILE  HD1*   1.0  1.0  -2.0  7.0 ; M/37B' -0.5
   1   37   ARG+ HG*    1   42   ILE  HG12   1.0  1.0  -2.0  7.0 ; W/37G' 
   1   40   ASN  HB*    1   43   LYS+ HB1    1.0  1.0  -2.0  7.0 ; W/40B
   1   41   ALA  HB*    1   42   ILE  HG11   1.0  1.0  -2.0  7.5 ;
   1   41   ALA  HB*    1   45   HIS  HB*    1.0  1.0  -2.0  8.5 ; W/45B'
   1   42   ILE  HB*    1   44   ASN  HB*    1.0  1.0  -2.0  7.0 ;
   1   42   ILE  HG12   1   43   LYS+ HD*    1.0  1.0  -2.0  7.0 ; W/43D'
   1   42   ILE  HG12   1   45   HIS  HB1    1.0  1.0  -2.0  5.5 ; W
   1   43   LYS+ HG*    1   47   ASN  HB2    1.0  1.0  -2.0  7.0 ; W
   1   13   ASP- HA     1   50   MET  HE*    1.0  1.0  -2.0  6.0 ; M
   1   17   TYR  HD*    1   50   MET  HE*    1.0  1.0  -2.0  7.5 ; S
   1   17   TYR  HE*    1   50   MET  HE*    1.0  1.0  -2.0  8.5 ; M
   1   46   TRP  HZ3    1   50   MET  HE*    1.0  1.0  -2.0  6.0 ; M
END
RDDSTC> STOP

  Entry H atom name         Submitted Coord H atom name
    1   1H    MET 140          2H        MET 140  -1.979  -7.367  -3.050
    2   2H    MET 140          3H        MET 140  -2.388  -8.928  -3.392
    3   3H    MET 140          1H        MET 140  -2.947  -8.213  -2.015
    4    HA   MET 140           HA       MET 140  -0.764  -8.040  -1.122
    5   1HB   MET 140          1HB       MET 140  -2.166 -10.084  -0.721
    6   2HB   MET 140          2HB       MET 140  -1.352 -10.873  -2.089
    7   1HG   MET 140          1HG       MET 140   0.297  -9.630   0.114
    8   2HG   MET 140          2HG       MET 140  -0.480 -11.196   0.396
    9   1HE   MET 140          1HE       MET 140   1.929 -12.130   0.976
   10   2HE   MET 140          2HE       MET 140   3.318 -12.049  -0.133
   11   3HE   MET 140          3HE       MET 140   2.663 -10.556   0.582
   12    H    GLU 141           H        GLU 141  -0.624 -10.278  -3.960
   13    HA   GLU 141           HA       GLU 141   0.925 -10.569  -5.595
   14   1HB   GLU 141          1HB       GLU 141   0.484  -8.080  -5.895
   15   2HB   GLU 141          2HB       GLU 141   1.966  -7.782  -4.955
   16   1HG   GLU 141          1HG       GLU 141   3.282  -9.083  -6.566
   17   2HG   GLU 141          2HG       GLU 141   1.812  -9.493  -7.475
   18    H    VAL 142           H        VAL 142   2.186 -12.203  -4.846
   19    HA   VAL 142           HA       VAL 142   4.033 -12.005  -2.691
   20    HB   VAL 142           HB       VAL 142   3.912 -13.933  -5.057
   21   1HG1  VAL 142          1HG1      VAL 142   5.413 -14.037  -2.404
   22   2HG1  VAL 142          2HG1      VAL 142   5.147 -15.456  -3.443
   23   3HG1  VAL 142          3HG1      VAL 142   6.108 -14.086  -4.042
   24   1HG2  VAL 142          3HG2      VAL 142   2.797 -14.078  -2.218
   25   2HG2  VAL 142          1HG2      VAL 142   1.847 -13.918  -3.713
   26   3HG2  VAL 142          2HG2      VAL 142   2.765 -15.408  -3.399
   27    H    LYS 143           H        LYS 143   6.300 -11.802  -2.665
   28    HA   LYS 143           HA       LYS 143   7.422  -9.923  -4.499
   29   1HB   LYS 143          1HB       LYS 143   8.096 -10.214  -2.109
   30   2HB   LYS 143          2HB       LYS 143   8.804 -11.791  -2.522
   31   1HG   LYS 143          1HG       LYS 143  10.232 -10.547  -4.260
   32   2HG   LYS 143          2HG       LYS 143   9.666  -9.037  -3.504
   33   1HD   LYS 143          1HD       LYS 143  10.586  -9.752  -1.336
   34   2HD   LYS 143          2HD       LYS 143  11.075 -11.315  -2.036
   35   1HE   LYS 143          1HE       LYS 143  12.532 -10.083  -3.664
   36   2HE   LYS 143          2HE       LYS 143  12.106  -8.560  -2.852
   37   1HZ   LYS 143          3HZ       LYS 143  13.058  -9.444  -0.845
   38   2HZ   LYS 143          1HZ       LYS 143  13.453 -10.856  -1.602
   39   3HZ   LYS 143          2HZ       LYS 143  14.173  -9.443  -2.059
   40    H    LYS 144           H        LYS 144   7.187 -10.781  -6.609
   41    HA   LYS 144           HA       LYS 144   8.513 -13.330  -7.252
   42   1HB   LYS 144          2HB       LYS 144   7.524 -13.040  -9.440
   43   2HB   LYS 144          1HB       LYS 144   6.288 -12.648  -8.225
   44   1HG   LYS 144          2HG       LYS 144   7.014 -10.182  -8.499
   45   2HG   LYS 144          1HG       LYS 144   7.932 -10.724  -9.920
   46   1HD   LYS 144          1HD       LYS 144   5.989 -10.291 -11.034
   47   2HD   LYS 144          2HD       LYS 144   5.512 -11.895 -10.433
   48   1HE   LYS 144          2HE       LYS 144   4.978  -9.264  -8.974
   49   2HE   LYS 144          1HE       LYS 144   3.800 -10.094 -10.009
   50   1HZ   LYS 144          1HZ       LYS 144   4.063 -12.017  -8.527
   51   2HZ   LYS 144          2HZ       LYS 144   4.968 -11.086  -7.504
   52   3HZ   LYS 144          3HZ       LYS 144   3.394 -10.698  -7.803
   53    H    THR 145           H        THR 145  10.160 -13.463  -8.923
   54    HA   THR 145           HA       THR 145  12.231 -11.486  -8.604
   55    HB   THR 145           HB       THR 145  12.028 -13.709 -10.683
   56    HG1  THR 145           HG1      THR 145  12.940 -13.798  -7.993
   57   1HG2  THR 145          2HG2      THR 145  14.379 -12.362  -9.277
   58   2HG2  THR 145          3HG2      THR 145  14.500 -13.707 -10.436
   59   3HG2  THR 145          1HG2      THR 145  13.901 -12.121 -10.972
   60    H    SER 146           H        SER 146  11.182  -9.522  -9.275
   61    HA   SER 146           HA       SER 146  10.109  -9.294 -11.978
   62   1HB   SER 146          2HB       SER 146  10.717  -7.139  -9.913
   63   2HB   SER 146          1HB       SER 146   9.642  -6.999 -11.325
   64    HG   SER 146           HG       SER 146   9.315  -8.802  -9.142
   65    H    TRP 147           H        TRP 147  12.765 -10.206 -12.135
   66    HA   TRP 147           HA       TRP 147  14.402  -7.860 -12.874
   67   1HB   TRP 147          1HB       TRP 147  14.864 -10.816 -12.560
   68   2HB   TRP 147          2HB       TRP 147  15.993  -9.834 -13.500
   69    HD1  TRP 147           HD1      TRP 147  14.447  -9.774  -9.961
   70    HE1  TRP 147           HE1      TRP 147  16.203  -8.930  -8.275
   71    HE3  TRP 147           HE3      TRP 147  18.268  -8.793 -13.215
   72    HZ2  TRP 147           HZ2      TRP 147  18.887  -7.956  -8.346
   73    HZ3  TRP 147           HZ3      TRP 147  20.423  -7.905 -12.364
   74    HH2  TRP 147           HH2      TRP 147  20.725  -7.474  -9.941
   75    H    THR 148           H        THR 148  14.869  -7.284 -14.975
   76    HA   THR 148           HA       THR 148  13.191  -8.522 -17.055
   77    HB   THR 148           HB       THR 148  14.053  -6.692 -18.465
   78    HG1  THR 148           HG1      THR 148  15.560  -5.967 -16.166
   79   1HG2  THR 148          3HG2      THR 148  12.146  -6.278 -16.894
   80   2HG2  THR 148          1HG2      THR 148  13.308  -5.701 -15.675
   81   3HG2  THR 148          2HG2      THR 148  13.108  -4.814 -17.206
   82    H    GLU 149           H        GLU 149  14.096  -9.344 -19.066
   83    HA   GLU 149           HA       GLU 149  16.236 -11.167 -18.693
   84   1HB   GLU 149          1HB       GLU 149  14.307 -11.071 -20.478
   85   2HB   GLU 149          2HB       GLU 149  15.459 -10.082 -21.405
   86   1HG   GLU 149          1HG       GLU 149  17.163 -11.914 -21.122
   87   2HG   GLU 149          2HG       GLU 149  15.908 -12.905 -20.350
   88    H    GLU 150           H        GLU 150  16.089  -7.827 -19.930
   89    HA   GLU 150           HA       GLU 150  18.695  -7.678 -21.039
   90   1HB   GLU 150          1HB       GLU 150  16.896  -5.568 -19.777
   91   2HB   GLU 150          2HB       GLU 150  18.384  -5.208 -20.689
   92   1HG   GLU 150          1HG       GLU 150  17.450  -6.373 -22.669
   93   2HG   GLU 150          2HG       GLU 150  15.963  -6.725 -21.764
   94    H    GLU 151           H        GLU 151  17.472  -6.825 -17.734
   95    HA   GLU 151           HA       GLU 151  19.927  -5.986 -16.640
   96   1HB   GLU 151          2HB       GLU 151  17.472  -7.321 -15.461
   97   2HB   GLU 151          1HB       GLU 151  18.868  -6.887 -14.452
   98   1HG   GLU 151          2HG       GLU 151  18.678  -4.555 -15.046
   99   2HG   GLU 151          1HG       GLU 151  17.446  -4.908 -16.273
  100    H    ASP 152           H        ASP 152  18.433  -9.276 -16.640
  101    HA   ASP 152           HA       ASP 152  20.542 -10.617 -15.326
  102   1HB   ASP 152          1HB       ASP 152  18.365 -11.633 -15.663
  103   2HB   ASP 152          2HB       ASP 152  18.557 -11.562 -17.429
  104    H    ARG 153           H        ARG 153  20.044  -9.891 -18.813
  105    HA   ARG 153           HA       ARG 153  22.184 -11.377 -19.862
  106   1HB   ARG 153          1HB       ARG 153  20.307  -9.486 -20.804
  107   2HB   ARG 153          2HB       ARG 153  21.894  -8.796 -21.195
  108   1HG   ARG 153          2HG       ARG 153  22.536 -11.027 -22.193
  109   2HG   ARG 153          1HG       ARG 153  20.856 -11.563 -21.944
  110   1HD   ARG 153          1HD       ARG 153  21.800  -9.210 -23.642
  111   2HD   ARG 153          2HD       ARG 153  21.121 -10.737 -24.241
  112    HE   ARG 153           HE       ARG 153  19.664  -8.438 -23.208
  113   1HH1  ARG 153          2HH1      ARG 153  19.577 -11.955 -23.669
  114   2HH1  ARG 153          1HH1      ARG 153  17.824 -12.042 -23.645
  115   1HH2  ARG 153          1HH2      ARG 153  17.356  -8.595 -23.121
  116   2HH2  ARG 153          2HH2      ARG 153  16.577 -10.156 -23.330
  117    H    ILE 154           H        ILE 154  22.128  -7.884 -18.952
  118    HA   ILE 154           HA       ILE 154  24.904  -7.439 -19.317
  119    HB   ILE 154           HB       ILE 154  22.882  -6.057 -17.499
  120   1HG1  ILE 154          1HG1      ILE 154  22.376  -6.121 -20.000
  121   2HG1  ILE 154          2HG1      ILE 154  22.533  -4.501 -19.296
  122   1HG2  ILE 154          2HG2      ILE 154  25.698  -5.303 -18.367
  123   2HG2  ILE 154          1HG2      ILE 154  24.521  -4.099 -17.786
  124   3HG2  ILE 154          3HG2      ILE 154  25.047  -5.419 -16.716
  125   1HD1  ILE 154          2HD1      ILE 154  24.760  -5.967 -20.783
  126   2HD1  ILE 154          1HD1      ILE 154  23.715  -4.715 -21.484
  127   3HD1  ILE 154          3HD1      ILE 154  24.823  -4.303 -20.160
  128    H    LEU 155           H        LEU 155  23.028  -8.624 -16.517
  129    HA   LEU 155           HA       LEU 155  25.034  -8.368 -14.554
  130   1HB   LEU 155          1HB       LEU 155  22.545  -8.972 -14.296
  131   2HB   LEU 155          2HB       LEU 155  23.008 -10.633 -14.715
  132    HG   LEU 155           HG       LEU 155  24.620 -10.638 -12.792
  133   1HD1  LEU 155          3HD1      LEU 155  23.477  -7.837 -12.470
  134   2HD1  LEU 155          1HD1      LEU 155  24.144  -8.724 -11.089
  135   3HD1  LEU 155          2HD1      LEU 155  25.181  -8.342 -12.472
  136   1HD2  LEU 155          2HD2      LEU 155  22.232 -11.425 -12.597
  137   2HD2  LEU 155          3HD2      LEU 155  22.925 -10.847 -11.064
  138   3HD2  LEU 155          1HD2      LEU 155  21.803  -9.814 -11.980
  139    H    TYR 156           H        TYR 156  24.203 -11.211 -16.627
  140    HA   TYR 156           HA       TYR 156  26.361 -12.814 -15.676
  141   1HB   TYR 156          1HB       TYR 156  24.573 -13.965 -16.661
  142   2HB   TYR 156          2HB       TYR 156  24.507 -12.873 -18.044
  143    HD1  TYR 156           HD2      TYR 156  26.144 -13.070 -19.899
  144    HD2  TYR 156           HD1      TYR 156  26.037 -15.899 -16.656
  145    HE1  TYR 156           HE2      TYR 156  27.506 -14.651 -21.232
  146    HE2  TYR 156           HE1      TYR 156  27.405 -17.481 -17.986
  147    HH   TYR 156           HH       TYR 156  28.396 -17.896 -20.026
  148    H    GLN 157           H        GLN 157  26.035 -10.672 -18.545
  149    HA   GLN 157           HA       GLN 157  28.509 -11.284 -19.756
  150   1HB   GLN 157          1HB       GLN 157  26.828  -8.753 -19.639
  151   2HB   GLN 157          2HB       GLN 157  28.310  -8.867 -20.616
  152   1HG   GLN 157          2HG       GLN 157  27.407 -10.630 -21.962
  153   2HG   GLN 157          1HG       GLN 157  26.055 -10.895 -20.845
  154   1HE2  GLN 157          1HE2      GLN 157  25.986  -7.448 -23.182
  155   2HE2  GLN 157          2HE2      GLN 157  27.503  -8.052 -22.555
  156    H    ALA 158           H        ALA 158  27.701  -8.733 -17.346
  157    HA   ALA 158           HA       ALA 158  30.348  -7.717 -17.115
  158   1HB   ALA 158          2HB       ALA 158  28.242  -6.540 -16.443
  159   2HB   ALA 158          1HB       ALA 158  28.090  -7.667 -15.072
  160   3HB   ALA 158          3HB       ALA 158  29.476  -6.555 -15.162
  161    H    HIS 159           H        HIS 159  28.537 -10.201 -15.244
  162    HA   HIS 159           HA       HIS 159  30.261 -10.467 -13.085
  163   1HB   HIS 159          1HB       HIS 159  28.044 -11.595 -13.428
  164   2HB   HIS 159          2HB       HIS 159  28.858 -12.762 -14.487
  165    HD1  HIS 159           HD1      HIS 159  29.660 -14.836 -13.301
  166    HD2  HIS 159           HD2      HIS 159  29.438 -11.530 -10.748
  167    HE1  HIS 159           HE1      HIS 159  30.293 -15.626 -10.965
  168    H    LYS 160           H        LYS 160  30.576 -12.041 -16.324
  169    HA   LYS 160           HA       LYS 160  33.048 -13.346 -15.374
  170   1HB   LYS 160          1HB       LYS 160  32.996 -14.571 -17.463
  171   2HB   LYS 160          2HB       LYS 160  31.388 -14.621 -16.710
  172   1HG   LYS 160          2HG       LYS 160  30.641 -12.782 -18.222
  173   2HG   LYS 160          1HG       LYS 160  32.246 -12.784 -18.994
  174   1HD   LYS 160          2HD       LYS 160  31.923 -15.197 -19.578
  175   2HD   LYS 160          1HD       LYS 160  30.283 -15.119 -18.889
  176   1HE   LYS 160          2HE       LYS 160  29.640 -13.406 -20.519
  177   2HE   LYS 160          1HE       LYS 160  31.297 -13.357 -21.162
  178   1HZ   LYS 160          2HZ       LYS 160  29.535 -15.713 -21.211
  179   2HZ   LYS 160          3HZ       LYS 160  29.822 -14.707 -22.490
  180   3HZ   LYS 160          1HZ       LYS 160  31.050 -15.610 -21.861
  181    H    ARG 161           H        ARG 161  32.041 -10.637 -17.471
  182    HA   ARG 161           HA       ARG 161  34.626 -10.362 -18.743
  183   1HB   ARG 161          2HB       ARG 161  32.468  -9.535 -19.699
  184   2HB   ARG 161          1HB       ARG 161  32.396  -8.313 -18.410
  185   1HG   ARG 161          2HG       ARG 161  34.586  -7.400 -19.173
  186   2HG   ARG 161          1HG       ARG 161  34.629  -8.615 -20.470
  187   1HD   ARG 161          2HD       ARG 161  32.558  -7.692 -21.433
  188   2HD   ARG 161          1HD       ARG 161  32.435  -6.530 -20.097
  189    HE   ARG 161           HE       ARG 161  34.017  -5.187 -21.118
  190   1HH1  ARG 161          2HH1      ARG 161  34.090  -8.421 -22.573
  191   2HH1  ARG 161          1HH1      ARG 161  35.158  -7.956 -23.875
  192   1HH2  ARG 161          1HH2      ARG 161  35.445  -4.593 -22.826
  193   2HH2  ARG 161          2HH2      ARG 161  35.945  -5.779 -24.008
  194    H    LEU 162           H        LEU 162  32.933  -8.375 -16.231
  195    HA   LEU 162           HA       LEU 162  35.385  -6.951 -15.571
  196   1HB   LEU 162          1HB       LEU 162  32.545  -7.019 -14.496
  197   2HB   LEU 162          2HB       LEU 162  33.823  -6.190 -13.594
  198    HG   LEU 162           HG       LEU 162  32.527  -4.665 -15.094
  199   1HD1  LEU 162          2HD1      LEU 162  34.989  -4.327 -14.466
  200   2HD1  LEU 162          1HD1      LEU 162  35.387  -4.924 -16.094
  201   3HD1  LEU 162          3HD1      LEU 162  34.414  -3.450 -15.902
  202   1HD2  LEU 162          2HD2      LEU 162  32.196  -6.434 -16.901
  203   2HD2  LEU 162          3HD2      LEU 162  32.659  -4.818 -17.480
  204   3HD2  LEU 162          1HD2      LEU 162  33.873  -6.111 -17.404
  205    H    GLY 163           H        GLY 163  33.330  -9.471 -14.061
  206   1HA   GLY 163          2HA       GLY 163  34.654 -11.307 -12.949
  207   2HA   GLY 163          1HA       GLY 163  35.523 -10.010 -12.096
  208    H    ASN 164           H        ASN 164  34.618 -11.311 -10.179
  209    HA   ASN 164           HA       ASN 164  31.758 -10.998  -9.637
  210   1HB   ASN 164          1HB       ASN 164  32.357 -12.050  -7.478
  211   2HB   ASN 164          2HB       ASN 164  32.977 -12.967  -8.867
  212   1HD2  ASN 164          1HD2      ASN 164  35.554 -11.196  -6.175
  213   2HD2  ASN 164          2HD2      ASN 164  33.857 -10.754  -6.211
  214    H    ARG 165           H        ARG 165  33.158  -8.510 -10.201
  215    HA   ARG 165           HA       ARG 165  33.523  -7.143  -7.633
  216   1HB   ARG 165          1HB       ARG 165  33.453  -6.030 -10.474
  217   2HB   ARG 165          2HB       ARG 165  34.108  -5.230  -9.026
  218   1HG   ARG 165          1HG       ARG 165  35.855  -6.961  -8.834
  219   2HG   ARG 165          2HG       ARG 165  35.174  -7.827 -10.231
  220   1HD   ARG 165          1HD       ARG 165  35.467  -5.532 -11.475
  221   2HD   ARG 165          2HD       ARG 165  36.607  -5.163 -10.168
  222    HE   ARG 165           HE       ARG 165  36.943  -7.094 -12.355
  223   1HH1  ARG 165          2HH1      ARG 165  37.987  -6.149  -9.097
  224   2HH1  ARG 165          1HH1      ARG 165  39.566  -6.880  -9.250
  225   1HH2  ARG 165          2HH2      ARG 165  39.015  -8.065 -12.537
  226   2HH2  ARG 165          1HH2      ARG 165  40.149  -7.980 -11.210
  227    H    TRP 166           H        TRP 166  31.110  -8.055  -7.312
  228    HA   TRP 166           HA       TRP 166  28.886  -7.029  -8.579
  229   1HB   TRP 166          1HB       TRP 166  29.372  -7.559  -5.636
  230   2HB   TRP 166          2HB       TRP 166  27.773  -7.249  -6.328
  231    HD1  TRP 166           HD1      TRP 166  29.612 -10.016  -5.186
  232    HE1  TRP 166           HE1      TRP 166  28.974 -12.249  -6.292
  233    HE3  TRP 166           HE3      TRP 166  27.202  -8.206  -9.320
  234    HZ2  TRP 166           HZ2      TRP 166  27.587 -13.113  -8.626
  235    HZ3  TRP 166           HZ3      TRP 166  26.256  -9.782 -10.978
  236    HH2  TRP 166           HH2      TRP 166  26.430 -12.226 -10.634
  237    H    ALA 167           H        ALA 167  30.820  -5.414  -6.020
  238    HA   ALA 167           HA       ALA 167  29.167  -3.188  -5.582
  239   1HB   ALA 167          2HB       ALA 167  31.137  -3.753  -4.215
  240   2HB   ALA 167          1HB       ALA 167  32.211  -3.366  -5.581
  241   3HB   ALA 167          3HB       ALA 167  31.246  -2.082  -4.814
  242    H    GLU 168           H        GLU 168  31.676  -3.731  -8.116
  243    HA   GLU 168           HA       GLU 168  31.305  -1.048  -9.199
  244   1HB   GLU 168          1HB       GLU 168  33.504  -2.164  -9.256
  245   2HB   GLU 168          2HB       GLU 168  32.829  -3.456 -10.280
  246   1HG   GLU 168          1HG       GLU 168  32.480  -1.988 -12.108
  247   2HG   GLU 168          2HG       GLU 168  32.581  -0.547 -11.080
  248    H    ILE 169           H        ILE 169  30.135  -4.357  -9.925
  249    HA   ILE 169           HA       ILE 169  29.173  -3.829 -12.540
  250    HB   ILE 169           HB       ILE 169  28.285  -5.774 -10.380
  251   1HG1  ILE 169          1HG1      ILE 169  29.842  -6.108 -12.993
  252   2HG1  ILE 169          2HG1      ILE 169  30.573  -6.019 -11.380
  253   1HG2  ILE 169          2HG2      ILE 169  27.399  -5.590 -13.299
  254   2HG2  ILE 169          3HG2      ILE 169  27.035  -6.938 -12.200
  255   3HG2  ILE 169          1HG2      ILE 169  26.365  -5.330 -11.874
  256   1HD1  ILE 169          1HD1      ILE 169  29.133  -8.017 -10.730
  257   2HD1  ILE 169          2HD1      ILE 169  28.714  -8.175 -12.451
  258   3HD1  ILE 169          3HD1      ILE 169  30.400  -8.346 -11.928
  259    H    ALA 170           H        ALA 170  27.754  -3.172  -9.310
  260    HA   ALA 170           HA       ALA 170  25.151  -2.468 -10.233
  261   1HB   ALA 170          2HB       ALA 170  25.717  -2.907  -7.870
  262   2HB   ALA 170          3HB       ALA 170  26.675  -1.406  -7.830
  263   3HB   ALA 170          1HB       ALA 170  24.915  -1.334  -8.088
  264    H    LYS 171           H        LYS 171  28.232  -0.825 -10.525
  265    HA   LYS 171           HA       LYS 171  27.358   1.870 -10.747
  266   1HB   LYS 171          2HB       LYS 171  29.746   0.952 -10.667
  267   2HB   LYS 171          1HB       LYS 171  29.541   0.516 -12.381
  268   1HG   LYS 171          1HG       LYS 171  29.398   2.766 -13.071
  269   2HG   LYS 171          2HG       LYS 171  28.979   3.338 -11.439
  270   1HD   LYS 171          2HD       LYS 171  31.317   3.928 -11.975
  271   2HD   LYS 171          1HD       LYS 171  31.261   2.751 -10.645
  272   1HE   LYS 171          1HE       LYS 171  31.599   0.924 -12.410
  273   2HE   LYS 171          2HE       LYS 171  31.929   2.219 -13.573
  274   1HZ   LYS 171          1HZ       LYS 171  33.387   1.951 -11.045
  275   2HZ   LYS 171          3HZ       LYS 171  33.882   1.198 -12.429
  276   3HZ   LYS 171          2HZ       LYS 171  33.797   2.851 -12.364
  277    H    LEU 172           H        LEU 172  27.305  -0.918 -12.951
  278    HA   LEU 172           HA       LEU 172  26.221   0.686 -15.178
  279   1HB   LEU 172          2HB       LEU 172  26.670  -2.322 -14.952
  280   2HB   LEU 172          1HB       LEU 172  26.387  -1.390 -16.437
  281    HG   LEU 172           HG       LEU 172  28.806  -1.093 -14.587
  282   1HD1  LEU 172          3HD1      LEU 172  28.780  -3.212 -15.878
  283   2HD1  LEU 172          2HD1      LEU 172  28.538  -2.288 -17.380
  284   3HD1  LEU 172          1HD1      LEU 172  30.051  -2.109 -16.460
  285   1HD2  LEU 172          2HD2      LEU 172  28.019   0.254 -17.208
  286   2HD2  LEU 172          3HD2      LEU 172  28.343   1.035 -15.643
  287   3HD2  LEU 172          1HD2      LEU 172  29.672   0.280 -16.549
  288    H    LEU 173           H        LEU 173  25.192  -1.467 -12.564
  289    HA   LEU 173           HA       LEU 173  22.382  -1.289 -13.561
  290   1HB   LEU 173          1HB       LEU 173  23.759  -3.500 -11.993
  291   2HB   LEU 173          2HB       LEU 173  22.013  -3.437 -12.328
  292    HG   LEU 173           HG       LEU 173  24.164  -3.430 -14.501
  293   1HD1  LEU 173          1HD1      LEU 173  22.449  -5.716 -13.431
  294   2HD1  LEU 173          2HD1      LEU 173  23.528  -5.804 -14.844
  295   3HD1  LEU 173          3HD1      LEU 173  24.208  -5.544 -13.221
  296   1HD2  LEU 173          1HD2      LEU 173  21.128  -3.723 -14.500
  297   2HD2  LEU 173          3HD2      LEU 173  22.099  -2.475 -15.316
  298   3HD2  LEU 173          2HD2      LEU 173  22.146  -4.153 -15.893
  299    HA   PRO 174           HA       PRO 174  22.767   0.953  -9.514
  300   1HB   PRO 174          1HB       PRO 174  20.915   2.939 -10.373
  301   2HB   PRO 174          2HB       PRO 174  22.686   3.111 -10.238
  302   1HG   PRO 174          2HG       PRO 174  21.027   2.830 -12.653
  303   2HG   PRO 174          1HG       PRO 174  22.740   3.316 -12.513
  304   1HD   PRO 174          1HD       PRO 174  21.729   0.802 -13.414
  305   2HD   PRO 174          2HD       PRO 174  23.431   1.221 -13.068
  306    H    GLY 175           H        GLY 175  20.934   1.483  -7.976
  307   1HA   GLY 175          1HA       GLY 175  18.818   1.121  -7.083
  308   2HA   GLY 175          2HA       GLY 175  18.283   0.437  -8.634
  309    H    ARG 176           H        ARG 176  19.918  -1.649  -9.130
  310    HA   ARG 176           HA       ARG 176  19.035  -3.658  -7.280
  311   1HB   ARG 176          2HB       ARG 176  21.218  -3.821  -9.407
  312   2HB   ARG 176          1HB       ARG 176  20.341  -5.182  -8.679
  313   1HG   ARG 176          2HG       ARG 176  19.044  -2.969 -10.340
  314   2HG   ARG 176          1HG       ARG 176  19.484  -4.577 -10.948
  315   1HD   ARG 176          2HD       ARG 176  18.028  -5.515  -9.032
  316   2HD   ARG 176          1HD       ARG 176  17.390  -3.865  -8.868
  317    HE   ARG 176           HE       ARG 176  17.210  -4.510 -11.601
  318   1HH1  ARG 176          1HH1      ARG 176  15.880  -5.639  -8.515
  319   2HH1  ARG 176          2HH1      ARG 176  14.419  -6.280  -9.226
  320   1HH2  ARG 176          1HH2      ARG 176  15.309  -5.403 -12.542
  321   2HH2  ARG 176          2HH2      ARG 176  14.061  -6.092 -11.517
  322    H    THR 177           H        THR 177  19.842  -3.862  -5.247
  323    HA   THR 177           HA       THR 177  22.503  -2.873  -4.576
  324    HB   THR 177           HB       THR 177  21.892  -3.734  -2.297
  325    HG1  THR 177           HG1      THR 177  19.355  -4.282  -3.407
  326   1HG2  THR 177          3HG2      THR 177  21.276  -1.441  -3.048
  327   2HG2  THR 177          2HG2      THR 177  19.730  -2.070  -3.663
  328   3HG2  THR 177          1HG2      THR 177  20.077  -2.117  -1.920
  329    H    ASP 178           H        ASP 178  24.064  -4.318  -3.347
  330    HA   ASP 178           HA       ASP 178  24.892  -6.439  -5.005
  331   1HB   ASP 178          2HB       ASP 178  26.653  -6.710  -3.516
  332   2HB   ASP 178          1HB       ASP 178  26.165  -5.038  -3.182
  333    H    ASN 179           H        ASN 179  23.144  -6.546  -1.846
  334    HA   ASN 179           HA       ASN 179  23.036  -9.358  -1.630
  335   1HB   ASN 179          1HB       ASN 179  21.127  -8.943  -0.095
  336   2HB   ASN 179          2HB       ASN 179  22.519  -7.894   0.239
  337   1HD2  ASN 179          2HD2      ASN 179  20.875  -4.854  -0.579
  338   2HD2  ASN 179          1HD2      ASN 179  22.400  -5.643  -0.227
  339    H    ALA 180           H        ALA 180  20.841  -7.056  -3.311
  340    HA   ALA 180           HA       ALA 180  18.889  -9.045  -4.009
  341   1HB   ALA 180          2HB       ALA 180  18.419  -6.623  -3.973
  342   2HB   ALA 180          3HB       ALA 180  19.564  -6.380  -5.314
  343   3HB   ALA 180          1HB       ALA 180  18.079  -7.325  -5.573
  344    H    ILE 181           H        ILE 181  21.778  -7.693  -5.650
  345    HA   ILE 181           HA       ILE 181  21.416  -8.997  -8.148
  346    HB   ILE 181           HB       ILE 181  23.778  -7.861  -6.635
  347   1HG1  ILE 181          1HG1      ILE 181  22.771  -7.115  -9.379
  348   2HG1  ILE 181          2HG1      ILE 181  21.886  -6.589  -7.929
  349   1HG2  ILE 181          3HG2      ILE 181  23.768  -9.530  -9.155
  350   2HG2  ILE 181          2HG2      ILE 181  24.951  -8.221  -8.952
  351   3HG2  ILE 181          1HG2      ILE 181  24.909  -9.566  -7.792
  352   1HD1  ILE 181          1HD1      ILE 181  24.866  -6.116  -8.418
  353   2HD1  ILE 181          3HD1      ILE 181  23.590  -4.908  -8.714
  354   3HD1  ILE 181          2HD1      ILE 181  23.902  -5.485  -7.063
  355    H    LYS 182           H        LYS 182  23.315  -9.926  -5.251
  356    HA   LYS 182           HA       LYS 182  24.226 -12.408  -6.327
  357   1HB   LYS 182          1HB       LYS 182  23.982 -11.139  -3.623
  358   2HB   LYS 182          2HB       LYS 182  24.442 -12.855  -3.745
  359   1HG   LYS 182          1HG       LYS 182  26.476 -12.387  -4.671
  360   2HG   LYS 182          2HG       LYS 182  25.848 -11.012  -5.610
  361   1HD   LYS 182          1HD       LYS 182  27.463 -10.374  -3.744
  362   2HD   LYS 182          2HD       LYS 182  25.883  -9.564  -3.675
  363   1HE   LYS 182          2HE       LYS 182  25.099 -11.216  -1.981
  364   2HE   LYS 182          1HE       LYS 182  26.663 -12.053  -2.080
  365   1HZ   LYS 182          1HZ       LYS 182  26.313  -9.244  -1.256
  366   2HZ   LYS 182          2HZ       LYS 182  26.505 -10.519  -0.220
  367   3HZ   LYS 182          3HZ       LYS 182  27.722 -10.106  -1.250
  368    H    ASN 183           H        ASN 183  21.385 -11.461  -4.337
  369    HA   ASN 183           HA       ASN 183  20.506 -14.092  -3.818
  370   1HB   ASN 183          1HB       ASN 183  19.527 -12.222  -2.639
  371   2HB   ASN 183          2HB       ASN 183  18.999 -11.467  -4.157
  372   1HD2  ASN 183          2HD2      ASN 183  16.983 -14.836  -2.773
  373   2HD2  ASN 183          1HD2      ASN 183  18.679 -14.615  -2.404
  374    H    HIS 184           H        HIS 184  19.929 -11.814  -6.516
  375    HA   HIS 184           HA       HIS 184  18.176 -13.478  -8.038
  376   1HB   HIS 184          1HB       HIS 184  18.491 -10.989  -8.320
  377   2HB   HIS 184          2HB       HIS 184  20.107 -11.309  -8.964
  378    HD1  HIS 184           HD1      HIS 184  16.556 -12.614  -9.763
  379    HD2  HIS 184           HD2      HIS 184  20.059 -11.373 -11.683
  380    HE1  HIS 184           HE1      HIS 184  16.162 -12.768 -12.272
  381    H    TRP 185           H        TRP 185  21.730 -13.026  -7.968
  382    HA   TRP 185           HA       TRP 185  22.302 -14.544 -10.285
  383   1HB   TRP 185          1HB       TRP 185  23.803 -12.892  -9.143
  384   2HB   TRP 185          2HB       TRP 185  24.090 -14.108  -7.893
  385    HD1  TRP 185           HD1      TRP 185  26.098 -15.589  -8.303
  386    HE1  TRP 185           HE1      TRP 185  27.582 -16.274 -10.295
  387    HE3  TRP 185           HE3      TRP 185  23.543 -13.228 -12.036
  388    HZ2  TRP 185           HZ2      TRP 185  27.612 -15.855 -13.130
  389    HZ3  TRP 185           HZ3      TRP 185  24.337 -13.395 -14.376
  390    HH2  TRP 185           HH2      TRP 185  26.359 -14.727 -14.917
  391    H    ASN 186           H        ASN 186  22.012 -15.432  -6.844
  392    HA   ASN 186           HA       ASN 186  22.952 -18.140  -7.284
  393   1HB   ASN 186          1HB       ASN 186  23.248 -16.869  -5.161
  394   2HB   ASN 186          2HB       ASN 186  21.490 -16.915  -4.916
  395   1HD2  ASN 186          1HD2      ASN 186  21.388 -20.289  -3.823
  396   2HD2  ASN 186          2HD2      ASN 186  20.473 -18.887  -4.332
  397    H    SER 187           H        SER 187  19.765 -16.538  -6.870
  398    HA   SER 187           HA       SER 187  18.319 -19.042  -6.784
  399   1HB   SER 187          2HB       SER 187  17.557 -16.942  -5.694
  400   2HB   SER 187          1HB       SER 187  17.348 -16.199  -7.298
  401    HG   SER 187           HG       SER 187  16.061 -18.566  -6.388
  402    H    THR 188           H        THR 188  18.901 -16.557  -9.343
  403    HA   THR 188           HA       THR 188  17.194 -18.047 -11.205
  404    HB   THR 188           HB       THR 188  18.848 -15.572 -11.803
  405    HG1  THR 188           HG1      THR 188  17.686 -15.058 -10.011
  406   1HG2  THR 188          3HG2      THR 188  16.188 -16.642 -12.848
  407   2HG2  THR 188          1HG2      THR 188  16.992 -15.148 -13.380
  408   3HG2  THR 188          2HG2      THR 188  17.748 -16.725 -13.703
  409    H    MET 189           H        MET 189  20.521 -16.690 -11.565
  410    HA   MET 189           HA       MET 189  21.084 -18.345 -13.817
  411   1HB   MET 189          1HB       MET 189  22.585 -16.468 -12.028
  412   2HB   MET 189          2HB       MET 189  23.530 -17.557 -13.070
  413   1HG   MET 189          2HG       MET 189  21.195 -16.044 -14.227
  414   2HG   MET 189          1HG       MET 189  22.718 -15.195 -13.956
  415   1HE   MET 189          2HE       MET 189  22.351 -14.642 -16.560
  416   2HE   MET 189          1HE       MET 189  22.450 -15.857 -17.856
  417   3HE   MET 189          3HE       MET 189  21.026 -15.808 -16.790
  418    H    ARG 190           H        ARG 190  22.738 -18.442 -10.594
  419    HA   ARG 190           HA       ARG 190  23.656 -21.157 -11.166
  420   1HB   ARG 190          1HB       ARG 190  23.944 -19.283  -8.793
  421   2HB   ARG 190          2HB       ARG 190  24.641 -20.915  -8.839
  422   1HG   ARG 190          2HG       ARG 190  25.958 -20.343 -10.822
  423   2HG   ARG 190          1HG       ARG 190  25.198 -18.737 -10.901
  424   1HD   ARG 190          2HD       ARG 190  27.461 -18.678  -9.846
  425   2HD   ARG 190          1HD       ARG 190  26.185 -18.111  -8.754
  426    HE   ARG 190           HE       ARG 190  27.734 -20.635  -8.554
  427   1HH1  ARG 190          2HH2      ARG 190  25.200 -18.515  -7.230
  428   2HH1  ARG 190          1HH2      ARG 190  25.061 -19.399  -5.727
  429   1HH2  ARG 190          2HH1      ARG 190  27.597 -21.728  -6.531
  430   2HH2  ARG 190          1HH1      ARG 190  26.464 -21.191  -5.312
  431    H    ARG 191           H        ARG 191  20.858 -21.157 -11.229
  432    HA   ARG 191           HA       ARG 191  19.600 -21.780  -8.758
  433   1HB   ARG 191          1HB       ARG 191  17.864 -22.832 -10.176
  434   2HB   ARG 191          2HB       ARG 191  18.356 -21.246 -10.805
  435   1HG   ARG 191          1HG       ARG 191  19.998 -22.532 -12.330
  436   2HG   ARG 191          2HG       ARG 191  19.109 -24.000 -11.861
  437   1HD   ARG 191          1HD       ARG 191  17.036 -23.095 -12.739
  438   2HD   ARG 191          2HD       ARG 191  17.793 -21.511 -13.017
  439    HE   ARG 191           HE       ARG 191  19.131 -23.683 -14.422
  440   1HH1  ARG 191          2HH2      ARG 191  16.390 -21.440 -14.518
  441   2HH1  ARG 191          1HH2      ARG 191  16.325 -21.378 -16.263
  442   1HH2  ARG 191          2HH1      ARG 191  19.046 -23.591 -16.727
  443   2HH2  ARG 191          1HH1      ARG 191  17.823 -22.629 -17.523
  444    H    LYS 192           H        LYS 192  21.593 -23.698 -10.986
  445    HA   LYS 192           HA       LYS 192  21.906 -25.743  -8.922
  446   1HB   LYS 192          2HB       LYS 192  19.849 -26.180 -10.677
  447   2HB   LYS 192          1HB       LYS 192  21.191 -26.900 -11.584
  448   1HG   LYS 192          2HG       LYS 192  20.383 -27.561  -8.712
  449   2HG   LYS 192          1HG       LYS 192  20.087 -28.580 -10.132
  450   1HD   LYS 192          1HD       LYS 192  22.836 -27.801  -9.031
  451   2HD   LYS 192          2HD       LYS 192  22.050 -29.378  -8.840
  452   1HE   LYS 192          1HE       LYS 192  22.934 -28.116 -11.475
  453   2HE   LYS 192          2HE       LYS 192  23.701 -29.480 -10.647
  454   1HZ   LYS 192          1HZ       LYS 192  21.639 -30.692 -10.930
  455   2HZ   LYS 192          2HZ       LYS 192  20.996 -29.437 -11.782
  456   3HZ   LYS 192          3HZ       LYS 192  22.302 -30.251 -12.375
  457    H    VAL 193           H        VAL 193  24.072 -25.838  -8.833
  458    HA   VAL 193           HA       VAL 193  25.625 -25.593 -11.365
  459    HB   VAL 193           HB       VAL 193  26.473 -25.257  -8.451
  460   1HG1  VAL 193          1HG1      VAL 193  27.946 -24.813 -11.088
  461   2HG1  VAL 193          2HG1      VAL 193  28.554 -24.323  -9.489
  462   3HG1  VAL 193          3HG1      VAL 193  28.321 -26.047  -9.860
  463   1HG2  VAL 193          3HG2      VAL 193  25.942 -23.236 -10.678
  464   2HG2  VAL 193          1HG2      VAL 193  25.004 -23.428  -9.179
  465   3HG2  VAL 193          2HG2      VAL 193  26.682 -22.845  -9.107
   
  No H/Q in entry =         465