*HEADER    VIRAL PROTEIN                           01-MAY-15   2N29              
*TITLE     SOLUTION-STATE NMR STRUCTURE OF VPU CYTOPLASMIC DOMAIN                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN VPU;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CYTOPLASMIC DOMAIN (UNP RESIDUES 28-81);                   
*COMPND   5 SYNONYM: U ORF PROTEIN, VIRAL PROTEIN U;                             
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1;                 
*SOURCE   3 ORGANISM_COMMON: HIV-1;                                              
*SOURCE   4 ORGANISM_TAXID: 11676;                                               
*SOURCE   5 GENE: VPU;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: C41;                                       
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET31B+                                   
*KEYWDS    ALPHA HELIX, VIRAL PROTEIN                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    H.ZHANG, E.C.LIN, Y.TIAN, B.B.DAS, S.J.OPELLA                         
*REVDAT   1   30-SEP-15 2N29    0                                                


ATOM    878  PA1 ANI B5000     -71.228 -48.251   7.466  1.00  0.00
ATOM    879  PA2 ANI B5000     -70.044 -47.283   7.824  1.00  0.00
ATOM    880 OO   ANI B5000     -70.978 -47.283   7.466  1.00  0.00
ATOM    881 OO2  ANI B5000     -70.978 -47.283   7.466  1.00  0.00
ATOM    882  X   ANI B5000     -69.978 -47.283   7.466  1.00  0.00
ATOM    883  Y   ANI B5000     -70.978 -46.283   7.466  1.00  0.00
ATOM    884  Z   ANI B5000     -70.978 -47.283   8.466  1.00  0.00


assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -64.4   30.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -36.3   30.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -66.0   30.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -38.0   30.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -62.9   30.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -35.3   30.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -63.1   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -43.7   10.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -65.1   10.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -36.5   10.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -66.0   10.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -39.9   10.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -64.2   10.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -44.9   10.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -61.7   10.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -43.5   10.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -60.0   10.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -40.3   10.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -64.0   10.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -41.2   10.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -65.3   10.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -43.0   10.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -63.2   10.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  -41.2   10.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -59.4   20.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  -43.5   20.0 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -63.7   20.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  -42.7   20.0 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -63.0   30.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  -36.4   30.0 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  -71.0   30.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  -25.6   30.4 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -62.7   30.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  -36.7   30.0 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -62.3   30.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  -42.2   30.0 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -64.2   20.0 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  -42.3   20.0 2
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0  -63.4   20.0 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  -41.0   20.0 2
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0  -62.1   20.0 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  -40.6   20.0 2
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0  -60.6   20.0 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  -45.2   20.0 2
assign (resid   35 and name C    ) (resid   36 and name N    )
       (resid   36 and name CA   ) (resid   36 and name C    )    1.0  -65.8   20.0 2
assign (resid   36 and name N    ) (resid   36 and name CA   )
       (resid   36 and name C    ) (resid   37 and name N    )    1.0  -43.8   20.0 2
assign (resid   36 and name C    ) (resid   37 and name N    )
       (resid   37 and name CA   ) (resid   37 and name C    )    1.0  -65.1   20.0 2
assign (resid   37 and name N    ) (resid   37 and name CA   )
       (resid   37 and name C    ) (resid   38 and name N    )    1.0  -41.9   20.0 2
assign (resid   37 and name C    ) (resid   38 and name N    )
       (resid   38 and name CA   ) (resid   38 and name C    )    1.0  -58.8   20.0 2
assign (resid   38 and name N    ) (resid   38 and name CA   )
       (resid   38 and name C    ) (resid   39 and name N    )    1.0  -43.9   20.0 2
assign (resid   38 and name C    ) (resid   39 and name N    )
       (resid   39 and name CA   ) (resid   39 and name C    )    1.0  -64.0   20.0 2
assign (resid   39 and name N    ) (resid   39 and name CA   )
       (resid   39 and name C    ) (resid   40 and name N    )    1.0  -38.4   20.9 2
assign (resid   39 and name C    ) (resid   40 and name N    )
       (resid   40 and name CA   ) (resid   40 and name C    )    1.0  -64.1   20.0 2
assign (resid   40 and name N    ) (resid   40 and name CA   )
       (resid   40 and name C    ) (resid   41 and name N    )    1.0  -41.8   20.0 2
assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )    1.0  -61.4   20.0 2
assign (resid   41 and name N    ) (resid   41 and name CA   )
       (resid   41 and name C    ) (resid   42 and name N    )    1.0  -45.8   20.0 2
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0  -63.0   20.0 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  -34.6   30.0 2
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0  -69.4   30.0 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
       (resid   43 and name C    ) (resid   44 and name N    )    1.0  -36.3   30.0 2
assign (resid   48 and name C    ) (resid   49 and name N    )
       (resid   49 and name CA   ) (resid   49 and name C    )    1.0 -100.1   30.0 2
assign (resid   49 and name N    ) (resid   49 and name CA   )
       (resid   49 and name C    ) (resid   50 and name N    )    1.0    7.6   30.0 2
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 3    and name N   )
       ( resid 3    and name HN  )  2.4614  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name N   )
       ( resid 4    and name HN  )  1.5111  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 5    and name N   )
       ( resid 5    and name HN  )  -0.4662  0.2000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name N   )
       ( resid 6    and name HN  )  -0.2016  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name N   )
       ( resid 7    and name HN  )  1.8128  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name N   )
       ( resid 8    and name HN  )  2.2660  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name N   )
       ( resid 9    and name HN  )  3.4228  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10    and name N   )
       ( resid 10   and name HN  )  4.0832  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name N   )
       ( resid 13   and name HN  )  -2.8639  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name N   )
       ( resid 17   and name HN  )  9.0925  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )  2.1931  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name N   )
       ( resid 20   and name HN  )  1.2384  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )  9.0251  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name N   )
       ( resid 22   and name HN  )  3.4741  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name N   )
       ( resid 23   and name HN  )  2.5072  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name N   )
       ( resid 25   and name HN  )  3.9935  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name N   )
       ( resid 26   and name HN  )  0.6511  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name N   )
       ( resid 28   and name HN  )  2.0379  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name N   )
       ( resid 29   and name HN  )  -1.5371  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30   and name N   )
       ( resid 30   and name HN  )  4.1227  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name N   )
       ( resid 31   and name HN  )  7.6581  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 32   and name N   )
       ( resid 32   and name HN  )  8.4965  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33   and name N   )
       ( resid 33   and name HN  )  5.0446  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 34   and name N   )
       ( resid 34   and name HN  )  11.2596  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name N   )
       ( resid 35   and name HN  )  14.1853  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )  2.8800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 39   and name N   )
       ( resid 39   and name HN  )  18.6005  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name N   )
       ( resid 40   and name HN  )  7.0955  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 41   and name N   )
       ( resid 41   and name HN  )  16.5905  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name N   )
       ( resid 43   and name HN  )  5.4978  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 44   and name N   )
       ( resid 44   and name HN  )  5.0607  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 45   and name N   )
       ( resid 45   and name HN  )  -2.6611  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 46   and name N   )
       ( resid 46   and name HN  )  8.5911  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name N   )
       ( resid 47   and name HN  )  2.7174  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 49   and name N   )
       ( resid 49   and name HN  )  1.8586  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name N   )
       ( resid 50   and name HN  )  2.1931  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 51   and name N   )
       ( resid 51   and name HN  )  -0.4019  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52   and name N   )
       ( resid 52   and name HN  )  -0.0272  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )  1.9012  0.2000

set echo=false end
set wrnlev=0 end
!strong
assign (resid 3 and name HN) (resid 2 and name HA) 2.5 1.0 1.0
assign (resid 3 and name HN) (resid 3 and name HA) 2.5 1.0 1.0
or (resid 3 and name HN) (resid 1 and name HA) !ambiguous
assign (resid 5 and name HN) (resid 3 and name HA) 2.5 1.0 1.0
or (resid 5 and name HN) (resid 4 and name HA) !ambiguous
or (resid 5 and name HN) (resid 5 and name HA) !ambiguous
assign (resid 3 and name HN) (resid 3 and name HB*) 2.5 1.0 1.0
or (resid 3 and name HN) (resid 4 and name HB*) !ambiguous
assign (resid 4 and name HN) (resid 3 and name HB*) 2.5 1.0 1.0
or (resid 4 and name HN) (resid 4 and name HB*) !ambiguous
assign (resid 3 and name HN) (resid 3 and name HG*) 2.5 1.0 1.0
or (resid 3 and name HN) (resid 5 and name HG1*) !ambiguous
assign (resid 5 and name HN) (resid 4 and name HN) 2.5 1.0 1.0
or (resid 5 and name HN) (resid 7 and name HN) !ambiguous
assign (resid 4 and name HN) (resid 4 and name HA) 2.5 1.0 1.0
or (resid 4 and name HN) (resid 3 and name HA) !ambiguous
assign (resid 6 and name HN) (resid 5 and name HA) 2.5 1.0 1.0
or (resid 6 and name HN) (resid 1 and name HA) !ambiguous
assign (resid 5 and name HN) (resid 5 and name HB) 2.5 1.0 1.0
or (resid 5 and name HN) (resid 7 and name HB*) !ambiguous
assign (resid 5 and name HN) (resid 5 and name HD*) 2.5 1.0 1.0
or (resid 5 and name HN) (resid 6 and name HD*) !ambiguous
assign (resid 5 and name HN) (resid 5 and name HG1*) 2.5 1.0 1.0
or (resid 5 and name HN) (resid 3 and name HG*) !ambiguous
assign (resid 6 and name HN) (resid 6 and name HA) 2.5 1.0 1.0
or (resid 6 and name HN) (resid 7 and name HA) !ambiguous
assign (resid 6 and name HN) (resid 6 and name HB*) 2.5 1.0 1.0
or (resid 6 and name HN) (resid 7 and name HB*) !ambiguous
assign (resid 6 and name HN) (resid 6 and name HD*) 2.5 1.0 1.0
or (resid 6 and name HN) (resid 5 and name HD*) !ambiguous
assign (resid 7 and name HN) (resid 7 and name HA) 2.5 1.0 1.0
or (resid 7 and name HN) (resid 6 and name HA) !ambiguous
or (resid 7 and name HN) (resid 8 and name HA) !ambiguous
assign (resid 7 and name HN) (resid 7 and name HB*) 2.5 1.0 1.0
or (resid 7 and name HN) (resid 5 and name HB) !ambiguous
assign (resid 8 and name HN) (resid 7 and name HB*) 2.5 1.0 1.0
or (resid 8 and name HN) (resid 5 and name HB) !ambiguous
assign (resid 7 and name HN) (resid 7 and name HG#) 2.5 1.0 1.0
assign (resid 8 and name HN) (resid 8 and name HA) 2.5 1.0 1.0
or (resid 8 and name HN) (resid 6 and name HA) !ambiguous
or (resid 8 and name HN) (resid 7 and name HA) !ambiguous
assign (resid 8 and name HN) (resid 8 and name HB#) 2.5 1.0 1.0
assign (resid 9 and name HN) (resid 9 and name HA) 2.5 1.0 1.0
assign (resid 9 and name HN) (resid 9 and name HB#) 2.5 1.0 1.0
assign (resid 14 and name HN) (resid 11 and name HB) 2.5 1.0 1.0
assign (resid 12 and name HN) (resid 12 and name HB#) 2.5 1.0 1.0
assign (resid 13 and name HN) (resid 12 and name HB#) 2.5 1.0 1.0
assign (resid 14 and name HN) (resid 13 and name HA) 2.5 1.0 1.0
or (resid 14 and name HN) (resid 10 and name HA) !ambiguous
assign (resid 13 and name HN) (resid 13 and name HB#) 2.5 1.0 1.0
or (resid 13 and name HN) (resid 11 and name HB) !ambiguous
assign (resid 14 and name HN) (resid 14 and name HB#) 2.5 1.0 1.0
assign (resid 14 and name HN) (resid 15 and name HN) 2.5 1.0 1.0
assign (resid 16 and name HN) (resid 16 and name HA) 2.5 1.0 1.0
assign (resid 16 and name HN) (resid 16 and name HB#) 2.5 1.0 1.0
assign (resid 17 and name HN) (resid 17 and name HA) 2.5 1.0 1.0
assign (resid 17 and name HN) (resid 17 and name HB*) 2.5 1.0 1.0
or (resid 17 and name HN) (resid 15 and name HB*) !ambiguous
or (resid 17 and name HN) (resid 19 and name HB) !ambiguous
assign (resid 17 and name HN) (resid 17 and name HG*) 2.5 1.0 1.0
or (resid 17 and name HN) (resid 14 and name HB*) !ambiguous
assign (resid 19 and name HN) (resid 19 and name HA) 2.5 1.0 1.0
assign (resid 19 and name HN) (resid 19 and name HB) 2.5 1.0 1.0
or (resid 19 and name HN) (resid 17 and name HB*) !ambiguous
or (resid 19 and name HN) (resid 21 and name HB*) !ambiguous
assign (resid 20 and name HN) (resid 19 and name HB) 2.5 1.0 1.0
or (resid 20 and name HN) (resid 21 and name HB*) !ambiguous
or (resid 20 and name HN) (resid 17 and name HB*) !ambiguous
assign (resid 20 and name HN) (resid 19 and name HD*) 2.5 1.0 1.0
or (resid 20 and name HN) (resid 18 and name HD*) !ambiguous
or (resid 20 and name HN) (resid 36 and name HD*) !ambiguous
or (resid 20 and name HN) (resid 33 and name HD*) !ambiguous
assign (resid 20 and name HN) (resid 20 and name HA) 2.5 1.0 1.0
or (resid 20 and name HN) (resid 18 and name HA) !ambiguous
or (resid 20 and name HN) (resid 17 and name HA) !ambiguous
assign (resid 20 and name HN) (resid 20 and name HB*) 2.5 1.0 1.0
or (resid 20 and name HN) (resid 23 and name HB*) !ambiguous
assign (resid 21 and name HN) (resid 20 and name HB*) 2.5 1.0 1.0
or (resid 21 and name HN) (resid 23 and name HB*) !ambiguous
assign (resid 20 and name HN) (resid 20 and name HG#) 2.5 1.0 1.0
assign (resid 21 and name HN) (resid 21 and name HA) 2.5 1.0 1.0
or (resid 21 and name HN) (resid 22 and name HA) !ambiguous
or (resid 21 and name HN) (resid 23 and name HA) !ambiguous
assign (resid 21 and name HN) (resid 21 and name HB*) 2.5 1.0 1.0
or (resid 21 and name HN) (resid 19 and name HB) !ambiguous
or (resid 21 and name HN) (resid 18 and name HB) !ambiguous
or (resid 21 and name HN) (resid 17 and name HB*) !ambiguous
assign (resid 22 and name HN) (resid 21 and name HB*) 2.5 1.0 1.0
or (resid 22 and name HN) (resid 19 and name HB) !ambiguous
or (resid 22 and name HN) (resid 18 and name HB*) !ambiguous
assign (resid 21 and name HN) (resid 21 and name HG*) 2.5 1.0 1.0
or (resid 21 and name HN) (resid 19 and name HG1*) !ambiguous
or (resid 21 and name HN) (resid 17 and name HG*) !ambiguous
assign (resid 22 and name HN) (resid 22 and name HA) 2.5 1.0 1.0
or (resid 22 and name HN) (resid 21 and name HA) !ambiguous
or (resid 22 and name HN) (resid 23 and name HA) !ambiguous
assign (resid 22 and name HN) (resid 22 and name HB#) 2.5 1.0 1.0
assign (resid 23 and name HN) (resid 22 and name HB#) 2.5 1.0 1.0
assign (resid 23 and name HN) (resid 23 and name HA) 2.5 1.0 1.0
or (resid 23 and name HN) (resid 22 and name HA) !ambiguous
or (resid 23 and name HN) (resid 21 and name HA) !ambiguous
assign (resid 24 and name HN) (resid 23 and name HA) 2.5 1.0 1.0
or (resid 24 and name HN) (resid 22 and name HA) !ambiguous
or (resid 24 and name HN) (resid 21 and name HA) !ambiguous
assign (resid 23 and name HN) (resid 23 and name HB*) 2.5 1.0 1.0
or (resid 23 and name HN) (resid 20 and name HB*) !ambiguous
assign (resid 24 and name HN) (resid 23 and name HB*) 2.5 1.0 1.0
or (resid 24 and name HN) (resid 20 and name HB*) !ambiguous
or (resid 24 and name HN) (resid 28 and name HB*) !ambiguous
assign (resid 24 and name HN) (resid 24 and name HA) 2.5 1.0 1.0
or (resid 24 and name HN) (resid 27 and name HA) !ambiguous
assign (resid 25 and name HN) (resid 24 and name HA) 2.5 1.0 1.0
or (resid 24 and name HN) (resid 27 and name HA) !ambiguous
assign (resid 24 and name HN) (resid 24 and name HB#) 2.5 1.0 1.0
assign (resid 26 and name HN) (resid 25 and name HN) 2.5 1.0 1.0
assign (resid 25 and name HN) (resid 25 and name HA) 2.5 1.0 1.0
or (resid 25 and name HN) (resid 29 and name HA) !ambiguous
assign (resid 26 and name HN) (resid 25 and name HA) 2.5 1.0 1.0
or (resid 26 and name HN) (resid 29 and name HA) !ambiguous
assign (resid 25 and name HN) (resid 25 and name HB*) 2.5 1.0 1.0
or (resid 25 and name HN) (resid 26 and name HA*) !ambiguous
or (resid 25 and name HN) (resid 20 and name HA) !ambiguous
assign (resid 26 and name HN) (resid 26 and name HA*) 2.5 1.0 1.0
or (resid 26 and name HN) (resid 25 and name HB*) !ambiguous
assign (resid 27 and name HN) (resid 27 and name HA) 2.5 1.0 1.0
assign (resid 28 and name HN) (resid 27 and name HA) 2.5 1.0 1.0
or (resid 28 and name HN) (resid 24 and name HA) !ambiguous
assign (resid 27 and name HN) (resid 27 and name HB#) 2.5 1.0 1.0
assign (resid 28 and name HN) (resid 28 and name HA) 2.5 1.0 1.0
assign (resid 29 and name HN) (resid 28 and name HA) 2.5 1.0 1.0
or (resid 29 and name HN) (resid 29 and name HA) !ambiguous
or (resid 29 and name HN) (resid 25 and name HA) !ambiguous
assign (resid 28 and name HN) (resid 28 and name HB*) 2.5 1.0 1.0
or (resid 28 and name HN) (resid 30 and name HB*) !ambiguous
or (resid 28 and name HN) (resid 32 and name HB*) !ambiguous
or (resid 28 and name HN) (resid 23 and name HB*) !ambiguous
assign (resid 29 and name HN) (resid 28 and name HB*) 2.5 1.0 1.0
or (resid 29 and name HN) (resid 30 and name HB*) !ambiguous
or (resid 29 and name HN) (resid 32 and name HB*) !ambiguous
assign (resid 28 and name HN) (resid 28 and name HB2) 2.5 1.0 1.0
assign (resid 28 and name HN) (resid 28 and name HG*) 2.5 1.0 1.0
or (resid 28 and name HN) (resid 30 and name HG*) !ambiguous
or (resid 28 and name HN) (resid 32 and name HG*) !ambiguous
assign (resid 30 and name HN) (resid 29 and name HN) 2.5 1.0 1.0
assign (resid 30 and name HN) (resid 29 and name HA) 2.5 1.0 1.0
or (resid 30 and name HN) (resid 25 and name HA) !ambiguous
or (resid 29 and name HN) (resid 29 and name HB*)!ambiguous
or (resid 29 and name HN) (resid 31 and name HA*) !ambiguous
or (resid 29 and name HN) (resid 25 and name HB*) !ambiguous
assign (resid 30 and name HN) (resid 29 and name HB*) 2.5 1.0 1.0
or (resid 30 and name HN) (resid 31 and name HA*) !ambiguous
or (resid 30 and name HN) (resid 25 and name HB*) !ambiguous
assign (resid 29 and name HN) (resid 30 and name HN) 2.5 1.0 1.0
assign (resid 30 and name HN) (resid 30 and name HA) 2.5 1.0 1.0
or (resid 30 and name HN) (resid 32 and name HA) !ambiguous
assign (resid 30 and name HN) (resid 30 and name HB*) 2.5 1.0 1.0
or (resid 30 and name HN) (resid 28 and name HB*) !ambiguous
or (resid 30 and name HN) (resid 32 and name HB*) !ambiguous
assign (resid 31 and name HN) (resid 30 and name HB*) 2.5 1.0 1.0
or (resid 31 and name HN) (resid 32 and name HB*) !ambiguous
assign (resid 32 and name HN) (resid 31 and name HN) 2.5 1.0 1.0
assign (resid 31 and name HN) (resid 31 and name HA*) 2.5 1.0 1.0
or (resid 31 and name HN) (resid 29 and name HB*) !ambiguous
assign (resid 32 and name HN) (resid 31 and name HA*) 2.5 1.0 1.0
or (resid 32 and name HN) (resid 29 and name HB*) !ambiguous
assign (resid 31 and name HN) (resid 32 and name HN) 2.5 1.0 1.0
or (resid 31 and name HN) (resid 33 and name HN) !ambiguous
assign (resid 32 and name HN) (resid 32 and name HA) 2.5 1.0 1.0
or (resid 32 and name HN) (resid 30 and name HA) !ambiguous
or (resid 32 and name HN) (resid 35 and name HA) !ambiguous
assign (resid 32 and name HN) (resid 32 and name HB*) 2.5 1.0 1.0
or (resid 32 and name HN) (resid 30 and name HB*) !ambiguous
or (resid 32 and name HN) (resid 28 and name HB*) !ambiguous
assign (resid 33 and name HN) (resid 33 and name HA) 2.5 1.0 1.0
assign (resid 33 and name HN) (resid 33 and name HB) 2.5 1.0 1.0
assign (resid 34 and name HN) (resid 33 and name HB) 2.5 1.0 1.0
assign (resid 34 and name HN) (resid 33 and name HD*) 2.5 1.0 1.0
or (resid 34 and name HN) (resid 33 and name HG*) !ambiguous
assign (resid 33 and name HN) (resid 33 and name HG11) 2.5 1.0 1.0
assign (resid 35 and name HN) (resid 34 and name HN) 2.5 1.0 1.0
assign (resid 34 and name HN) (resid 34 and name HA) 2.5 1.0 1.0
or (resid 32 and name HN) (resid 34 and name HB*) !ambiguous
or (resid 32 and name HN) (resid 29 and name HB*) !ambiguous
or (resid 32 and name HN) (resid 36 and name HA) !ambiguous
assign (resid 34 and name HN) (resid 35 and name HN) 2.5 1.0 1.0
assign (resid 35 and name HN) (resid 35 and name HA) 2.5 1.0 1.0
or (resid 35 and name HN) (resid 32 and name HA) !ambiguous
assign (resid 35 and name HN) (resid 35 and name HB#) 2.5 1.0 1.0
assign (resid 36 and name HN) (resid 35 and name HB#) 2.5 1.0 1.0
assign (resid 36 and name HN) (resid 36 and name HA) 2.5 1.0 1.0
or (resid 36 and name HN) (resid 34 and name HA) !ambiguous
or (resid 36 and name HN) (resid 34 and name HB*) !ambiguous
assign (resid 36 and name HN) (resid 36 and name HB#) 2.5 1.0 1.0
assign (resid 36 and name HN) (resid 36 and name HD*) 2.5 1.0 1.0
or (resid 36 and name HN) (resid 33 and name HD*) !ambiguous
or (resid 36 and name HN) (resid 39 and name HD*) !ambiguous
assign (resid 39 and name HN) (resid 39 and name HA) 2.5 1.0 1.0
assign (resid 39 and name HN) (resid 39 and name HB#) 2.5 1.0 1.0
assign (resid 40 and name HN) (resid 39 and name HB#) 2.5 1.0 1.0
assign (resid 40 and name HN) (resid 40 and name HA#) 2.5 1.0 1.0
assign (resid 41 and name HN) (resid 41 and name HA) 2.5 1.0 1.0
or (resid 41 and name HN) (resid 40 and name HA*) !ambiguous
assign (resid 41 and name HN) (resid 41 and name HB) 2.5 1.0 1.0
or (resid 41 and name HN) (resid 42 and name HB*) !ambiguous
or (resid 41 and name HN) (resid 37 and name HB) !ambiguous
assign (resid 41 and name HN) (resid 41 and name HG1#) 2.5 1.0 1.0
assign (resid 42 and name HN) (resid 42 and name HB*) 2.5 1.0 1.0
or (resid 42 and name HN) (resid 41 and name HB) !ambiguous
or (resid 42 and name HN) (resid 48 and name HB*) !ambiguous
assign (resid 42 and name HN) (resid 42 and name HG#) 2.5 1.0 1.0
assign (resid 42 and name HN) (resid 43 and name HN) 2.5 1.0 1.0
or (resid 42 and name HN) (resid 41 and name HN) !ambiguous
assign (resid 44 and name HN) (resid 43 and name HN) 2.5 1.0 1.0
assign (resid 43 and name HN) (resid 43 and name HA) 2.5 1.0 1.0
or (resid 43 and name HN) (resid 42 and name HB*) !ambiguous
assign (resid 43 and name HN) (resid 43 and name HB2) 2.5 1.0 1.0
assign (resid 43 and name HN) (resid 44 and name HN) 2.5 1.0 1.0
assign (resid 44 and name HN) (resid 44 and name HA#) 2.5 1.0 1.0
assign (resid 45 and name HN) (resid 44 and name HA#) 2.5 1.0 1.0
assign (resid 45 and name HN) (resid 45 and name HA) 2.5 1.0 1.0
or (resid 45 and name HN) (resid 46 and name HA) !ambiguous
assign (resid 47 and name HN) (resid 45 and name HA) 2.5 1.0 1.0
or (resid 47 and name HN) (resid 46 and name HA) !ambiguous
assign (resid 45 and name HN) (resid 45 and name HB*) 2.5 1.0 1.0
or (resid 45 and name HN) (resid 46 and name HB*) !ambiguous
assign (resid 46 and name HN) (resid 46 and name HA) 2.5 1.0 1.0
or (resid 46 and name HN) (resid 45 and name HA) !ambiguous
assign (resid 46 and name HN) (resid 46 and name HB1) 2.5 1.0 1.0
assign (resid 46 and name HN) (resid 46 and name HB*) 2.5 1.0 1.0
or (resid 46 and name HN) (resid 45 and name HB*) !ambiguous
assign (resid 47 and name HN) (resid 47 and name HB#) 2.5 1.0 1.0
assign (resid 49 and name HN) (resid 48 and name HA) 2.5 1.0 1.0
or (resid 49 and name HN) (resid 47 and name HA) !ambiguous
assign (resid 50 and name HN) (resid 49 and name HN) 2.5 1.0 1.0
assign (resid 49 and name HN) (resid 49 and name HA) 2.5 1.0 1.0
or (resid 49 and name HN) (resid 46 and name HA) !ambiguous
assign (resid 50 and name HN) (resid 49 and name HB*) 2.5 1.0 1.0
or (resid 50 and name HN) (resid 48 and name HD*) !ambiguous
or (resid 50 and name HN) (resid 45 and name HB*) !ambiguous
assign (resid 49 and name HN) (resid 49 and name HB*) 2.5 1.0 1.0
or (resid 49 and name HN) (resid 48 and name HD*) !ambiguous
or (resid 49 and name HN) (resid 46 and name HB*) !ambiguous
or (resid 49 and name HN) (resid 45 and name HB*) !ambiguous
assign (resid 50 and name HN) (resid 50 and name HA) 2.5 1.0 1.0
or (resid 50 and name HN) (resid 49 and name HA) !ambiguous
or (resid 50 and name HN) (resid 53 and name HA) !ambiguous
assign (resid 51 and name HN) (resid 50 and name HA) 2.5 1.0 1.0
or (resid 51 and name HN) (resid 53 and name HA) !ambiguous
assign (resid 50 and name HN) (resid 50 and name HB1) 2.5 1.0 1.0
assign (resid 50 and name HN) (resid 50 and name HB2) 2.5 1.0 1.0
assign (resid 52 and name HN) (resid 51 and name HN) 2.5 1.0 1.0
assign (resid 51 and name HN) (resid 51 and name HB) 2.5 1.0 1.0
assign (resid 51 and name HN) (resid 51 and name HG#) 2.5 1.0 1.0
assign (resid 51 and name HN) (resid 52 and name HN) 2.5 1.0 1.0
assign (resid 52 and name HN) (resid 52 and name HA) 2.5 1.0 1.0
assign (resid 52 and name HN) (resid 52 and name HB*) 2.5 1.0 1.0
or (resid 52 and name HN) (resid 50 and name HB*) !ambiguous
or (resid 52 and name HN) (resid 53 and name HB*) !ambiguous
assign (resid 54 and name HN) (resid 53 and name HN) 2.5 1.0 1.0
assign (resid 53 and name HN) (resid 53 and name HA) 2.5 1.0 1.0
or (resid 53 and name HN) (resid 52 and name HA) !ambiguous
or (resid 53 and name HN) (resid 49 and name HA) !ambiguous
assign (resid 54 and name HN) (resid 53 and name HA) 2.5 1.0 1.0
or (resid 54 and name HN) (resid 49 and name HA) !ambiguous
assign (resid 53 and name HN) (resid 53 and name HB#) 2.5 1.0 1.0
or (resid 53 and name HN) (resid 52 and name HB#) !ambiguous
assign (resid 53 and name HN) (resid 54 and name HN) 2.5 1.0 1.0
assign (resid 54 and name HN) (resid 54 and name HA) 2.5 1.0 1.0
assign (resid 54 and name HN) (resid 54 and name HB#) 2.5 1.0 1.0
! medium
assign (resid 3 and name HN) (resid 2 and name HB#) 4.0 1.5 0.5
assign (resid 4 and name HN) (resid 3 and name HN) 4.0 1.5 0.5
assign (resid 7 and name HN) (resid 3 and name HN) 4.0 1.5 0.5
assign (resid 3 and name HN) (resid 4 and name HN) 4.0 1.5 0.5
or (resid 3 and name HN) (resid 7 and name HN) !ambiguous
assign (resid 4 and name HN) (resid 4 and name HG2) 4.0 1.5 0.5
assign (resid 4 and name HN) (resid 5 and name HN) 4.0 1.5 0.5
assign (resid 7 and name HN) (resid 5 and name HN) 4.0 1.5 0.5
assign (resid 6 and name HN) (resid 5 and name HB) 4.0 1.5 0.5
or (resid 6 and name HN) (resid 7 and name HB*) !ambiguous
assign (resid 5 and name HN) (resid 5 and name HG2#) 4.0 1.5 0.5
assign (resid 4 and name HN) (resid 5 and name HG1*) 4.0 1.5 0.5
or (resid 4 and name HN) (resid 4 and name HG1) !ambiguous
assign (resid 8 and name HN) (resid 8 and name HG#) 4.0 1.5 0.5
assign (resid 11 and name HN) (resid 11 and name HA) 4.0 1.5 0.5
assign (resid 12 and name HN) (resid 11 and name HA) 4.0 1.5 0.5
assign (resid 12 and name HN) (resid 11 and name HB) 4.0 1.5 0.5
assign (resid 12 and name HN) (resid 12 and name HA) 4.0 1.5 0.5
assign (resid 13 and name HN) (resid 12 and name HA) 4.0 1.5 0.5
!assign (resid 14 and name HN) (resid 14 and name HD#) 4.0 1.5 0.5
assign (resid 17 and name HN) (resid 16 and name HA) 4.0 1.5 0.5
assign (resid 17 and name HN) (resid 16 and name HB#) 4.0 1.5 0.5
assign (resid 20 and name HN) (resid 19 and name HA) 4.0 1.5 0.5
assign (resid 22 and name HN) (resid 19 and name HA) 4.0 1.5 0.5
assign (resid 21 and name HN) (resid 19 and name HD*) 4.0 1.5 0.5
or (resid 21 and name HN) (resid 18 and name HD*) !ambiguous
or (resid 21 and name HN) (resid 33 and name HD*) !ambiguous
assign (resid 21 and name HN) (resid 20 and name HA) 4.0 1.5 0.5
or (resid 21 and name HN) (resid 18 and name HA) !ambiguous
assign (resid 23 and name HN) (resid 20 and name HA) 4.0 1.5 0.5
or (resid 23 and name HN) (resid 26 and name HA*) !ambiguous
or (resid 23 and name HN) (resid 25 and name HB*) !ambiguous
assign (resid 24 and name HN) (resid 20 and name HA) 4.0 1.5 0.5
or (resid 24 and name HN) (resid 25 and name HB*) !ambiguous
or (resid 24 and name HN) (resid 26 and name HA*) !ambiguous
assign (resid 22 and name HN) (resid 21 and name HG*) 4.0 1.5 0.5
or (resid 22 and name HN) (resid 19 and name HG1*) !ambiguous
or (resid 22 and name HN) (resid 17 and name HG*) !ambiguous
assign (resid 25 and name HN) (resid 23 and name HA) 4.0 1.5 0.5
or (resid 25 and name HN) (resid 22 and name HA) !ambiguous
or (resid 25 and name HN) (resid 21 and name HA) !ambiguous
assign (resid 23 and name HN) (resid 23 and name HG*) 4.0 1.5 0.5
or (resid 23 and name HN) (resid 20 and name HG*) !ambiguous
assign (resid 25 and name HN) (resid 24 and name HB#) 4.0 1.5 0.5
assign (resid 28 and name HN) (resid 27 and name HB#) 4.0 1.5 0.5
assign (resid 23 and name HN) (resid 28 and name HG*) 4.0 1.5 0.5
or (resid 23 and name HN) (resid 30 and name HG*) !ambiguous
or (resid 23 and name HN) (resid 32 and name HG*) !ambiguous
assign (resid 29 and name HN) (resid 28 and name HG*) 4.0 1.5 0.5
or (resid 29 and name HN) (resid 30 and name HG*) !ambiguous
or (resid 29 and name HN) (resid 32 and name HG*) !ambiguous
assign (resid 28 and name HN) (resid 29 and name HB*) 4.0 1.5 0.5
or (resid 28 and name HN) (resid 25 and name HB*) !ambiguous
or (resid 28 and name HN) (resid 26 and name HA*) !ambiguous
or (resid 28 and name HN) (resid 31 and name HA*) !ambiguous
assign (resid 31 and name HN) (resid 30 and name HA) 4.0 1.5 0.5
assign (resid 30 and name HN) (resid 30 and name HG*) 4.0 1.5 0.5
or (resid 30 and name HN) (resid 28 and name HG*) !ambiguous
or (resid 30 and name HN) (resid 32 and name HG*) !ambiguous
assign (resid 33 and name HN) (resid 32 and name HA) 4.0 1.5 0.5
or (resid 33 and name HN) (resid 30 and name HA) !ambiguous
or (resid 33 and name HN) (resid 35 and name HA) !ambiguous
assign (resid 33 and name HN) (resid 32 and name HB#) 4.0 1.5 0.5
assign (resid 32 and name HN) (resid 32 and name HG*) 4.0 1.5 0.5
or (resid 32 and name HN) (resid 30 and name HG*) !ambiguous
or (resid 32 and name HN) (resid 28 and name HG*) !ambiguous
assign (resid 34 and name HN) (resid 33 and name HN) 4.0 1.5 0.5
assign (resid 36 and name HN) (resid 33 and name HA) 4.0 1.5 0.5
assign (resid 32 and name HN) (resid 33 and name HD1#) 4.0 1.5 0.5
assign (resid 33 and name HN) (resid 33 and name HG12) 4.0 1.5 0.5
assign (resid 33 and name HN) (resid 34 and name HN) 4.0 1.5 0.5
assign (resid 39 and name HN) (resid 36 and name HA) 4.0 1.5 0.5
assign (resid 36 and name HN) (resid 36 and name HG) 4.0 1.5 0.5
or (resid 36 and name HN) (resid 36 and name HB*) !ambiguous
assign (resid 39 and name HN) (resid 37 and name HB) 4.0 1.5 0.5
or (resid 39 and name HN) (resid 41 and name HB) !ambiguous
or (resid 39 and name HN) (resid 42 and name HB*) !ambiguous
assign (resid 36 and name HN) (resid 37 and name HB) 4.0 1.5 0.5
or (resid 36 and name HN) (resid 32 and name HB*) !ambiguous
assign (resid 41 and name HN) (resid 38 and name HA) 4.0 1.5 0.5
assign (resid 39 and name HN) (resid 38 and name HB#) 4.0 1.5 0.5
assign (resid 40 and name HN) (resid 39 and name HA) 4.0 1.5 0.5
or (resid 40 and name HN) (resid 38 and name HA) !ambiguous
assign (resid 39 and name HN) (resid 39 and name HD#) 4.0 1.5 0.5
assign (resid 40 and name HN) (resid 39 and name HD*) 4.0 1.5 0.5
or (resid 40 and name HN) (resid 43 and name HD*) !ambiguous
assign (resid 42 and name HN) (resid 41 and name HA) 4.0 1.5 0.5
assign (resid 43 and name HN) (resid 41 and name HB ) 4.0 1.5 0.5
or (resid 43 and name HN) (resid 42 and name HB*) !ambiguous
or (resid 43 and name HN) (resid 48 and name HB) !ambiguous
assign (resid 42 and name HN) (resid 41 and name HG1#) 4.0 1.5 0.5
assign (resid 41 and name HN) (resid 41 and name HG2#) 4.0 1.5 0.5
assign (resid 42 and name HN) (resid 41 and name HG2#) 4.0 1.5 0.5
assign (resid 42 and name HN) (resid 42 and name HA) 4.0 1.5 0.5
assign (resid 44 and name HN) (resid 43 and name HA) 4.0 1.5 0.5
or (resid 44 and name HN) (resid 42 and name HA) !ambiguous
assign (resid 44 and name HN) (resid 43 and name HB2) 4.0 1.5 0.5
assign (resid 43 and name HN) (resid 43 and name HD*) 4.0 1.5 0.5
or (resid 43 and name HN) (resid 39 and name HD*) !ambiguous
assign (resid 44 and name HN) (resid 43 and name HD#) 4.0 1.5 0.5
assign (resid 43 and name HN) (resid 43 and name HG) 4.0 1.5 0.5
or (resid 43 and name HN) (resid 43 and name HB*) !ambiguous
assign (resid 45 and name HN) (resid 45 and name HB*) 4.0 1.5 0.5
or (resid 45 and name HN) (resid 48 and name HD*) !ambiguous
or (resid 45 and name HN) (resid 49 and name HB*) !ambiguous
assign (resid 47 and name HN) (resid 46 and name HB*) 4.0 1.5 0.5
or (resid 47 and name HN) (resid 48 and name HD*) !ambiguous
assign (resid 47 and name HN) (resid 46 and name HB2) 4.0 1.5 0.5
assign (resid 47 and name HN) (resid 47 and name HA) 4.0 1.5 0.5
or (resid 47 and name HN) (resid 48 and name HA) !ambiguous
assign (resid 49 and name HN) (resid 47 and name HB#) 4.0 1.5 0.5
or (resid 49 and name HN) (resid 51 and name HG*) !ambiguous
assign (resid 49 and name HN) (resid 48 and name HB#) 4.0 1.5 0.5
assign (resid 49 and name HN) (resid 48 and name HG*) 4.0 1.5 0.5
or (resid 49 and name HN) (resid 43 and name HB*) !ambiguous
assign (resid 49 and name HN) (resid 50 and name HN) 4.0 1.5 0.5
or (resid 49 and name HN) (resid 45 and name HN) !ambiguous
assign (resid 51 and name HN) (resid 50 and name HB2) 4.0 1.5 0.5
assign (resid 54 and name HN) (resid 53 and name HB*) 4.0 1.5 0.5
or (resid 54 and name HN) (resid 52 and name HB*) !ambiguous
or (resid 54 and name HN) (resid 50 and name HB*) !ambiguous
assign (resid 54 and name HN) (resid 54 and name HD#) 4.0 1.5 0.5
! weak 
assign (resid 2 and name HN) (resid 1 and name HA) 5.0 1.0 1.0
assign (resid 3 and name HN) (resid 1 and name HB#) 5.0 1.0 1.0
assign (resid 5 and name HN) (resid 1 and name HB#) 5.0 1.0 1.0
or (resid 5 and name HN) (resid 8 and name HB*) 5.0 1.0 1.0
assign (resid 3 and name HN) (resid 1 and name HG#) 5.0 1.0 1.0
assign (resid 4 and name HN) (resid 1 and name HG*) 5.0 1.0 1.0
or (resid 4 and name HN) (resid 8 and name HG*)  ! ambiguity
assign (resid 2 and name HN) (resid 2 and name HA) 5.0 1.0 1.0
assign (resid 4 and name HN) (resid 2 and name HA) 5.0 1.0 1.0
assign (resid 5 and name HN) (resid 2 and name HA) 5.0 1.0 1.0
assign (resid 3 and name HN) (resid 3 and name HE) 5.0 1.0 1.0
assign (resid 4 and name HN) (resid 4 and name HE*) 5.0 1.0 1.0
or (resid 4 and name HN) (resid 2 and name HB#) 5.0 1.0 1.0
assign (resid 5 and name HN) (resid 4 and name HE*) 5.0 1.0 1.0
or (resid 5 and name HN) (resid 2 and name HB#)  ! ambiguity
assign (resid 6 and name HN) (resid 4 and name HE*) 5.0 1.0 1.0
or (resid 6 and name HN) (resid 2 and name HB#)  ! ambiguity
assign (resid 4 and name HN) (resid 5 and name HD1#) 5.0 1.0 1.0
or (resid 4 and name HN) (resid 6 and name HD*)  ! ambiguity
assign (resid 3 and name HN) (resid 6 and name HD*) 5.0 1.0 1.0
or (resid 3 and name HN) (resid 5 and name HD*) ! ambiguity
assign (resid 8 and name HN) (resid 6 and name HD*) 5.0 1.0 1.0
or (resid 8 and name HN) (resid 5 and name HD1#)  ! ambiguity
assign (resid 6 and name HN) (resid 7 and name HD#) 5.0 1.0 1.0
assign (resid 8 and name HN) (resid 7 and name HD*) 5.0 1.0 1.0
or (resid 6 and name HN) (resid 9 and name HD*)  ! ambiguity
assign (resid 8 and name HN) (resid 7 and name HG*) 5.0 1.0 1.0
or (resid 6 and name HN) (resid 6 and name HB*)  ! ambiguity
or (resid 6 and name HN) (resid 6 and name HG)  ! ambiguity
assign (resid 11 and name HN) (resid 9 and name HA) 5.0 1.0 1.0
assign (resid 9 and name HN) (resid 9 and name HD#) 5.0 1.0 1.0
assign (resid 14 and name HN) (resid 11 and name HA) 5.0 1.0 1.0
assign (resid 12 and name HN) (resid 11 and name HG1#) 5.0 1.0 1.0
assign (resid 12 and name HN) (resid 11 and name HG2#) 5.0 1.0 1.0
assign (resid 14 and name HN) (resid 11 and name HG2#) 5.0 1.0 1.0
assign (resid 14 and name HN) (resid 12 and name HA) 5.0 1.0 1.0
assign (resid 11 and name HN) (resid 12 and name HB#) 5.0 1.0 1.0
assign (resid 14 and name HN) (resid 12 and name HB*) 5.0 1.0 1.0
or (resid 14 and name HN) (resid 16 and name HB*)  ! ambiguity
assign (resid 14 and name HN) (resid 13 and name HD#) 5.0 1.0 1.0
assign (resid 14 and name HN) (resid 15 and name HA) 5.0 1.0 1.0
assign (resid 17 and name HN) (resid 15 and name HA) 5.0 1.0 1.0
assign (resid 20 and name HN) (resid 16 and name HA) 5.0 1.0 1.0
assign (resid 17 and name HN) (resid 17 and name HD*) 5.0 1.0 1.0
or (resid 17 and name HN) (resid 13 and name HD*)  ! ambiguity
assign (resid 21 and name HN) (resid 19 and name HA) 5.0 1.0 1.0
assign (resid 23 and name HN) (resid 19 and name HA) 5.0 1.0 1.0
assign (resid 22 and name HN) (resid 19 and name HD*) 5.0 1.0 1.0
or (resid 22 and name HN) (resid 18 and name HD*)  ! ambiguity
or (resid 22 and name HN) (resid 33 and name HD)  ! ambiguity
assign (resid 23 and name HN) (resid 19 and name HD*) 5.0 1.0 1.0
or (resid 23 and name HN) (resid 18 and name HD*)  ! ambiguity
or (resid 23 and name HN) (resid 33 and name HD*)  ! ambiguity
assign (resid 20 and name HN) (resid 19 and name HG2#) 5.0 1.0 1.0
assign (resid 22 and name HN) (resid 20 and name HA) 5.0 1.0 1.0
or (resid 22 and name HN) (resid 25 and name HB*)  ! ambiguity
or (resid 22 and name HN) (resid 26 and name HA*)  ! ambiguity
assign (resid 22 and name HN) (resid 20 and name HB*) 5.0 1.0 1.0
or (resid 22 and name HN) (resid 23 and name HB*)  ! ambiguity
assign (resid 21 and name HN) (resid 20 and name HG*) 5.0 1.0 1.0
or (resid 21 and name HN) (resid 23 and name HG*)  ! ambiguity
assign (resid 22 and name HN) (resid 20 and name HG#) 5.0 1.0 1.0
assign (resid 20 and name HN) (resid 21 and name HD*) 5.0 1.0 1.0
or (resid 20 and name HN) (resid 17 and name HD*)  ! ambiguity
assign (resid 21 and name HN) (resid 21 and name HD*) 5.0 1.0 1.0
or (resid 21 and name HN) (resid 17 and name HD*)  ! ambiguity
assign (resid 22 and name HN) (resid 21 and name HD#) 5.0 1.0 1.0
assign (resid 26 and name HN) (resid 21 and name HD#) 5.0 1.0 1.0
assign (resid 20 and name HN) (resid 21 and name HG*) 5.0 1.0 1.0
or (resid 20 and name HN) (resid 17 and name HG*)  ! ambiguity
assign (resid 25 and name HN) (resid 21 and name HG#) 5.0 1.0 1.0
assign (resid 26 and name HN) (resid 22 and name HA) 5.0 1.0 1.0
or (resid 26 and name HN) (resid 21 and name HA) ! ambiguity
or (resid 26 and name HN) (resid 30 and name HA) ! ambiguity
assign (resid 21 and name HN) (resid 22 and name HB#) 5.0 1.0 1.0
assign (resid 24 and name HN) (resid 22 and name HB#) 5.0 1.0 1.0
assign (resid 25 and name HN) (resid 22 and name HB#) 5.0 1.0 1.0
assign (resid 26 and name HN) (resid 22 and name HB#) 5.0 1.0 1.0
assign (resid 25 and name HN) (resid 23 and name HB*) 5.0 1.0 1.0
or (resid 25 and name HN) (resid 28 and name HB*)  ! ambiguity
or (resid 25 and name HN) (resid 30 and name HB*)  ! ambiguity
assign (resid 26 and name HN) (resid 23 and name HB*) 5.0 1.0 1.0
or (resid 26 and name HN) (resid 28 and name HB*)  ! ambiguity
or (resid 26 and name HN) (resid 30 and name HB*)  ! ambiguity
assign (resid 24 and name HN) (resid 23 and name HG*) 5.0 1.0 1.0
or (resid 24 and name HN) (resid 20 and name HG*)  ! ambiguity
assign (resid 26 and name HN) (resid 24 and name HA) 5.0 1.0 1.0
or (resid 26 and name HN) (resid 27 and name HA)  ! ambiguity
assign (resid 22 and name HN) (resid 24 and name HB*) 5.0 1.0 1.0
assign (resid 23 and name HN) (resid 24 and name HB*) 5.0 1.0 1.0
assign (resid 26 and name HN) (resid 24 and name HB*) 5.0 1.0 1.0
or (resid 26 and name HN) (resid 27 and name HB*)  ! ambiguity
assign (resid 23 and name HN) (resid 27 and name HA) 5.0 1.0 1.0
or (resid 23 and name HN) (resid 24 and name HA)  ! ambiguity
assign (resid 29 and name HN) (resid 27 and name HB*) 5.0 1.0 1.0
or (resid 29 and name HN) (resid 24 and name HB*)  ! ambiguity
assign (resid 30 and name HN) (resid 27 and name HB#) 5.0 1.0 1.0
assign (resid 22 and name HN) (resid 28 and name HG*) 5.0 1.0 1.0
or (resid 22 and name HN) (resid 30 and name HG*)  ! ambiguity
or (resid 22 and name HN) (resid 32 and name HG*)  ! ambiguity
assign (resid 25 and name HN) (resid 28 and name HG#) 5.0 1.0 1.0
assign (resid 26 and name HN) (resid 28 and name HG*) 5.0 1.0 1.0
or (resid 26 and name HN) (resid 30 and name HG*)  ! ambiguity
assign (resid 31 and name HN) (resid 29 and name HA) 5.0 1.0 1.0
assign (resid 29 and name HN) (resid 30 and name HA) 5.0 1.0 1.0
or (resid 29 and name HN) (resid 32 and name HA)  ! ambiguity
assign (resid 31 and name HN) (resid 30 and name HG*) 5.0 1.0 1.0
or (resid 31 and name HN) (resid 28 and name HG*)  ! ambiguity
or (resid 31 and name HN) (resid 32 and name HG*)  ! ambiguity
assign (resid 33 and name HN) (resid 31 and name HN) 5.0 1.0 1.0
assign (resid 33 and name HN) (resid 31 and name HA*) 5.0 1.0 1.0
or (resid 33 and name HN) (resid 29 and name HB*)  ! ambiguity
assign (resid 34 and name HN) (resid 32 and name HB*) 5.0 1.0 1.0
or (resid 34 and name HN) (resid 37 and name HB*) ! ambiguity
assign (resid 35 and name HN) (resid 32 and name HB*) 5.0 1.0 1.0
or (resid 35 and name HN) (resid 37 and name HB*) ! ambiguity
assign (resid 33 and name HN) (resid 32 and name HG*) 5.0 1.0 1.0
or (resid 33 and name HN) (resid 30 and name HG*) ! ambiguity
assign (resid 34 and name HN) (resid 32 and name HG*) 5.0 1.0 1.0
or (resid 34 and name HN) (resid 38 and name HG*) ! ambiguity
or (resid 34 and name HN) (resid 30 and name HG*) ! ambiguity
assign (resid 35 and name HN) (resid 32 and name HG*) 5.0 1.0 1.0
or (resid 34 and name HN) (resid 38 and name HG*) ! ambiguity
or (resid 34 and name HN) (resid 30 and name HG*) ! ambiguity
assign (resid 35 and name HN) (resid 33 and name HB) 5.0 1.0 1.0
assign (resid 28 and name HN) (resid 33 and name HD1#) 5.0 1.0 1.0
assign (resid 29 and name HN) (resid 33 and name HD1#) 5.0 1.0 1.0
assign (resid 30 and name HN) (resid 33 and name HD1#) 5.0 1.0 1.0
assign (resid 31 and name HN) (resid 33 and name HD1#) 5.0 1.0 1.0
assign (resid 25 and name HN) (resid 33 and name HD*) 5.0 1.0 1.0
or (resid 25 and name HN) (resid 19 and name HD*) ! ambiguity
or (resid 25 and name HN) (resid 18 and name HD1*) ! ambiguity
assign (resid 26 and name HN) (resid 33 and name HD*) 5.0 1.0 1.0
or (resid 26 and name HN) (resid 19 and name HD*) ! ambiguity
or (resid 26 and name HN) (resid 18 and name HD1*) ! ambiguity
assign (resid 30 and name HN) (resid 33 and name HG1#) 5.0 1.0 1.0
assign (resid 34 and name HN) (resid 33 and name HG1#) 5.0 1.0 1.0
assign (resid 21 and name HN) (resid 33 and name HG1#) 5.0 1.0 1.0
assign (resid 29 and name HN) (resid 33 and name HG1#) 5.0 1.0 1.0
assign (resid 34 and name HN) (resid 33 and name HG1#) 5.0 1.0 1.0
assign (resid 31 and name HN) (resid 33 and name HG2#) 5.0 1.0 1.0
assign (resid 32 and name HN) (resid 33 and name HG2#) 5.0 1.0 1.0
assign (resid 30 and name HN) (resid 35 and name HB#) 5.0 1.0 1.0
assign (resid 31 and name HN) (resid 35 and name HB#) 5.0 1.0 1.0
or (resid 31 and name HN) (resid 22 and name HB*) ! ambiguity
assign (resid 34 and name HN) (resid 35 and name HB#) 5.0 1.0 1.0
assign (resid 39 and name HN) (resid 35 and name HB#) 5.0 1.0 1.0
!assign (resid 35 and name HN) (resid 36 and name "HD1,2 or HD1/HG2) 5.0 1.0 1.0 
assign (resid 39 and name HN) (resid 38 and name HG*) 5.0 1.0 1.0
or (resid 39 and name HN) (resid 42 and name HG*) ! ambiguity
assign (resid 40 and name HN) (resid 38 and name HG*) 5.0 1.0 1.0
or (resid 40 and name HN) (resid 42 and name HB*) ! ambiguity
assign (resid 39 and name HN) (resid 40 and name HA#) 5.0 1.0 1.0
assign (resid 46 and name HN) (resid 41 and name HA) 5.0 1.0 1.0
assign (resid 43 and name HN) (resid 41 and name HA) 5.0 1.0 1.0
or (resid 43 and name HN) (resid 40 and name HA*) ! ambiguity
assign (resid 40 and name HN) (resid 41 and name HB) 5.0 1.0 1.0
or (resid 40 and name HN) (resid 37 and name HB) ! ambiguity
or (resid 40 and name HN) (resid 42 and name HB*) ! ambiguity
assign (resid 40 and name HN) (resid 41 and name HG2#) 5.0 1.0 1.0
assign (resid 44 and name HN) (resid 41 and name HG2#) 5.0 1.0 1.0
assign (resid 45 and name HN) (resid 41 and name HG*) 5.0 1.0 1.0
or (resid 45 and name HN) (resid 47 and name HB*) ! ambiguity
or (resid 45 and name HN) (resid 51 and name HG1*) ! ambiguity
assign (resid 43 and name HN) (resid 42 and name HN) 5.0 1.0 1.0
assign (resid 45 and name HN) (resid 42 and name HB*) 5.0 1.0 1.0
or (resid 45 and name HN) (resid 48 and name HB*) ! ambiguity
assign (resid 44 and name HN) (resid 42 and name HB*) 5.0 1.0 1.0
or (resid 44 and name HN) (resid 51 and name HB) ! ambiguity
or (resid 44 and name HN) (resid 48 and name HB) ! ambiguity
assign (resid 41 and name HN) (resid 42 and name HG*) 5.0 1.0 1.0
or (resid 41 and name HN) (resid 38 and name HG*) ! ambiguity
assign (resid 43 and name HN) (resid 42 and name HG#) 5.0 1.0 1.0
assign (resid 44 and name HN) (resid 42 and name HG#) 5.0 1.0 1.0
assign (resid 45 and name HN) (resid 43 and name HA) 5.0 1.0 1.0
or (resid 45 and name HN) (resid 42 and name HA)  ! ambiguity
assign (resid 46 and name HN) (resid 43 and name HA) 5.0 1.0 1.0
or (resid 46 and name HN) (resid 42 and name HA)  ! ambiguity
assign (resid 45 and name HN) (resid 43 and name HB2) 5.0 1.0 1.0
assign (resid 40 and name HN) (resid 43 and name HG) 5.0 1.0 1.0
or (resid 40 and name HN) (resid 43 and name HB*) ! ambiguity
assign (resid 45 and name HN) (resid 43 and name HG) 5.0 1.0 1.0
or (resid 45 and name HN) (resid 43 and name HB*) ! ambiguity
assign (resid 47 and name HN) (resid 43 and name HG) 5.0 1.0 1.0
or (resid 47 and name HN) (resid 43 and name HB*) ! ambiguity
assign (resid 44 and name HN) (resid 43 and name HG) 5.0 1.0 1.0
or (resid 44 and name HN) (resid 43 and name HB*) ! ambiguity
assign (resid 43 and name HN) (resid 44 and name HA#) 5.0 1.0 1.0
assign (resid 46 and name HN) (resid 44 and name HA#) 5.0 1.0 1.0
assign (resid 47 and name HN) (resid 44 and name HA#) 5.0 1.0 1.0
assign (resid 44 and name HN) (resid 45 and name HA) 5.0 1.0 1.0
or (resid 44 and name HN) (resid 46 and name HA)  ! ambiguity
assign (resid 54 and name HN) (resid 45 and name HB*) 5.0 1.0 1.0
or (resid 54 and name HN) (resid 48 and name HD*)  ! ambiguity
assign (resid 46 and name HN) (resid 47 and name HB#) 5.0 1.0 1.0
or (resid 46 and name HN) (resid 51 and name HG#)  ! ambiguity
assign (resid 50 and name HN) (resid 48 and name HA) 5.0 1.0 1.0
or (resid 50 and name HN) (resid 47 and name HA)  ! ambiguity
assign (resid 50 and name HN) (resid 48 and name HB#) 5.0 1.0 1.0
assign (resid 47 and name HN) (resid 48 and name HD2) 5.0 1.0 1.0
assign (resid 49 and name HN) (resid 48 and name HD2) 5.0 1.0 1.0
assign (resid 47 and name HN) (resid 48 and name HG#) 5.0 1.0 1.0
or (resid 47 and name HN) (resid 43 and name HB*)  ! ambiguity
assign (resid 45 and name HN) (resid 49 and name HN) 5.0 1.0 1.0
assign (resid 47 and name HN) (resid 49 and name HN) 5.0 1.0 1.0
assign (resid 46 and name HN) (resid 49 and name HN) 5.0 1.0 1.0
assign (resid 47 and name HN) (resid 50 and name HB2) 5.0 1.0 1.0
assign (resid 49 and name HN) (resid 50 and name HB2) 5.0 1.0 1.0
assign (resid 54 and name HN) (resid 51 and name HA) 5.0 1.0 1.0
assign (resid 53 and name HN) (resid 51 and name HG*) 5.0 1.0 1.0
or (resid 53 and name HN) (resid 54 and name HD*)  ! ambiguity
assign (resid 53 and name HN) (resid 54 and name HB#) 5.0 1.0 1.0
assign (resid 14 and name OS1) (resid 3 and name HN) 26.0 0.0 50.0
assign (resid 14 and name OS1) (resid 4 and name HN) 26.0 0.0 50.0
assign (resid 14 and name OS1) (resid 5 and name HN) 20.8 4.0 4.0
assign (resid 14 and name OS1) (resid 6 and name HN) 14.1 4.0 4.0
assign (resid 14 and name OS1) (resid 7 and name HN) 15.6 4.0 4.0
assign (resid 14 and name OS1) (resid 8 and name HN) 14.9 4.0 4.0
assign (resid 14 and name OS1) (resid 9 and name HN) 14.1 4.0 4.0
assign (resid 14 and name OS1) (resid 10 and name HN) 14.1 4.0 4.0
assign (resid 14 and name OS1) (resid 12 and name HN) 15.0 15.0 0.0
assign (resid 14 and name OS1) (resid 13 and name HN) 15.0 15.0 0.0
assign (resid 14 and name OS1) (resid 15 and name HN) 15.0 15.0 0.0
assign (resid 14 and name OS1) (resid 16 and name HN) 15.0 15.0 0.0
assign (resid 14 and name OS1) (resid 17 and name HN) 15.0 15.0 0.0
assign (resid 14 and name OS1) (resid 18 and name HN) 15.0 15.0 0.0
assign (resid 14 and name OS1) (resid 20 and name HN) 15.0 15.0 0.0
assign (resid 14 and name OS1) (resid 21 and name HN) 15.0 15.0 0.0
assign (resid 14 and name OS1) (resid 22 and name HN) 15.0 15.0 0.0
assign (resid 14 and name OS1) (resid 23 and name HN) 18.2 4.0 4.0
assign (resid 14 and name OS1) (resid 24 and name HN) 13.9 4.0 4.0
assign (resid 14 and name OS1) (resid 25 and name HN) 26.0 0.0 50.0
assign (resid 14 and name OS1) (resid 26 and name HN) 22.7 4.0 4.0
assign (resid 14 and name OS1) (resid 28 and name HN) 21.6 4.0 4.0
assign (resid 14 and name OS1) (resid 29 and name HN) 19.6 4.0 4.0
assign (resid 14 and name OS1) (resid 30 and name HN) 17.9 4.0 4.0
assign (resid 14 and name OS1) (resid 31 and name HN) 18.6 4.0 4.0
assign (resid 14 and name OS1) (resid 32 and name HN) 14.6 4.0 4.0
assign (resid 14 and name OS1) (resid 33 and name HN) 15.9 4.0 4.0
assign (resid 14 and name OS1) (resid 34 and name HN) 14.6 4.0 4.0
assign (resid 14 and name OS1) (resid 35 and name HN) 14.8 4.0 4.0
assign (resid 14 and name OS1) (resid 36 and name HN) 14.8 4.0 4.0
assign (resid 14 and name OS1) (resid 39 and name HN) 13.1 4.0 4.0
assign (resid 14 and name OS1) (resid 40 and name HN) 13.2 4.0 4.0
assign (resid 14 and name OS1) (resid 41 and name HN) 15.0 15.0 0.0
assign (resid 14 and name OS1) (resid 42 and name HN) 13.3 4.0 4.0
assign (resid 14 and name OS1) (resid 43 and name HN) 15.0 15.0 0.0
assign (resid 14 and name OS1) (resid 44 and name HN) 13.3 4.0 4.0
assign (resid 14 and name OS1) (resid 45 and name HN) 15.3 4.0 4.0
assign (resid 14 and name OS1) (resid 46 and name HN) 15.5 4.0 4.0
assign (resid 14 and name OS1) (resid 47 and name HN) 13.3 4.0 4.0
assign (resid 14 and name OS1) (resid 50 and name HN) 13.0 4.0 4.0
assign (resid 14 and name OS1) (resid 51 and name HN) 13.5 4.0 4.0
assign (resid 14 and name OS1) (resid 52 and name HN) 13.8 4.0 4.0
assign (resid 14 and name OS1) (resid 53 and name HN) 14.6 4.0 4.0
assign (resid 14 and name OS1) (resid 54 and name HN) 13.7 4.0 4.0
assign (resid 47 and name OS1) (resid 3 and name HN) 17.7 4.0 4.0
assign (resid 47 and name OS1) (resid 4 and name HN) 17.9 4.0 4.0
assign (resid 47 and name OS1) (resid 5 and name HN) 16.1 4.0 4.0
assign (resid 47 and name OS1) (resid 6 and name HN) 15.0 15.0 0.0
assign (resid 47 and name OS1) (resid 7 and name HN) 16.6 4.0 4.0
assign (resid 47 and name OS1) (resid 8 and name HN) 15.6 4.0 4.0
assign (resid 47 and name OS1) (resid 9 and name HN) 15.7 4.0 4.0
assign (resid 47 and name OS1) (resid 10 and name HN) 15.7 4.0 4.0
assign (resid 47 and name OS1) (resid 13 and name HN) 14.2 4.0 4.0
assign (resid 47 and name OS1) (resid 14 and name HN) 14.8 4.0 4.0
assign (resid 47 and name OS1) (resid 17 and name HN) 18.0 4.0 4.0
assign (resid 47 and name OS1) (resid 18 and name HN) 16.7 4.0 4.0
assign (resid 47 and name OS1) (resid 20 and name HN) 18.0 4.0 4.0
assign (resid 47 and name OS1) (resid 21 and name HN) 21.2 4.0 4.0
assign (resid 47 and name OS1) (resid 22 and name HN) 21.1 4.0 4.0
assign (resid 47 and name OS1) (resid 23 and name HN) 23.6 4.0 4.0
assign (resid 47 and name OS1) (resid 24 and name HN) 26.0 0.0 50.0
assign (resid 47 and name OS1) (resid 25 and name HN) 26.0 0.0 50.0
assign (resid 47 and name OS1) (resid 26 and name HN) 26.0 0.0 50.0
assign (resid 47 and name OS1) (resid 28 and name HN) 26.0 0.0 50.0
assign (resid 47 and name OS1) (resid 29 and name HN) 26.0 0.0 50.0
assign (resid 47 and name OS1) (resid 30 and name HN) 26.0 0.0 50.0
assign (resid 47 and name OS1) (resid 31 and name HN) 26.0 0.0 50.0
assign (resid 47 and name OS1) (resid 32 and name HN) 23.0 4.0 4.0
assign (resid 47 and name OS1) (resid 33 and name HN) 18.2 4.0 4.0
assign (resid 47 and name OS1) (resid 34 and name HN) 18.1 4.0 4.0
assign (resid 47 and name OS1) (resid 35 and name HN) 18.8 4.0 4.0
assign (resid 47 and name OS1) (resid 36 and name HN) 15.4 4.0 4.0
assign (resid 47 and name OS1) (resid 39 and name HN) 14.0 4.0 4.0
assign (resid 47 and name OS1) (resid 40 and name HN) 13.5 4.0 4.0
assign (resid 47 and name OS1) (resid 41 and name HN) 15.0 15.0 0.0
assign (resid 47 and name OS1) (resid 42 and name HN) 13.7 4.0 4.0
assign (resid 47 and name OS1) (resid 43 and name HN) 14.0 4.0 4.0
assign (resid 47 and name OS1) (resid 44 and name HN) 15.0 15.0 0.0
assign (resid 47 and name OS1) (resid 45 and name HN) 15.0 15.0 0.0
assign (resid 47 and name OS1) (resid 46 and name HN) 15.0 15.0 0.0
assign (resid 47 and name OS1) (resid 49 and name HN) 15.0 15.0 0.0
assign (resid 47 and name OS1) (resid 50 and name HN) 15.0 15.0 0.0
assign (resid 47 and name OS1) (resid 51 and name HN) 15.8 4.0 4.0
assign (resid 47 and name OS1) (resid 52 and name HN) 15.0 4.0 4.0
assign (resid 47 and name OS1) (resid 53 and name HN) 15.0 15.0 0.0
assign (resid 47 and name OS1) (resid 54 and name HN) 14.7 4.0 4.0


set echo=true end
set wrnlev=5 end

  Entry H atom name         Submitted Coord H atom name
    1    H1   GLU   1           HT1      GLU   1 -18.097  23.718  16.335
    2    H2   GLU   1           HT2      GLU   1 -18.464  23.797  17.992
    3    H3   GLU   1           HT3      GLU   1 -17.812  25.150  17.198
    4    HA   GLU   1           HA       GLU   1 -19.756  25.726  16.192
    5    HB2  GLU   1           HB2      GLU   1 -19.963  23.520  15.056
    6    HB3  GLU   1           HB1      GLU   1 -20.638  22.832  16.533
    7    HG2  GLU   1           HG2      GLU   1 -22.513  24.410  16.441
    8    HG3  GLU   1           HG1      GLU   1 -21.829  25.162  15.001
    9    H    TYR   2           HN       TYR   2 -20.444  23.104  18.639
   10    HA   TYR   2           HA       TYR   2 -22.443  24.743  19.989
   11    HB2  TYR   2           HB2      TYR   2 -20.941  22.250  20.871
   12    HB3  TYR   2           HB1      TYR   2 -22.294  22.971  21.742
   13    HD1  TYR   2           HD1      TYR   2 -24.565  22.945  20.799
   14    HD2  TYR   2           HD2      TYR   2 -21.271  21.094  18.755
   15    HE1  TYR   2           HE1      TYR   2 -26.156  21.740  19.326
   16    HE2  TYR   2           HE2      TYR   2 -22.862  19.889  17.283
   17    HH   TYR   2           HH       TYR   2 -25.368  20.382  16.493
   18    H    ARG   3           HN       ARG   3 -19.018  24.018  20.544
   19    HA   ARG   3           HA       ARG   3 -18.961  25.760  22.906
   20    HB2  ARG   3           HB2      ARG   3 -16.897  23.954  21.629
   21    HB3  ARG   3           HB1      ARG   3 -16.570  24.983  23.025
   22    HG2  ARG   3           HG2      ARG   3 -18.361  23.863  24.286
   23    HG3  ARG   3           HG1      ARG   3 -18.719  22.847  22.890
   24    HD2  ARG   3           HD2      ARG   3 -16.439  21.914  22.981
   25    HD3  ARG   3           HD1      ARG   3 -16.077  22.930  24.373
   26    HE   ARG   3           HE       ARG   3 -18.378  21.418  24.957
   27   HH11  ARG   3          HH21      ARG   3 -14.994  21.037  24.347
   28   HH12  ARG   3          HH22      ARG   3 -14.835  19.622  25.334
   29   HH21  ARG   3          HH11      ARG   3 -18.178  19.564  26.252
   30   HH22  ARG   3          HH12      ARG   3 -16.638  18.788  26.413
   31    H    LYS   4           HN       LYS   4 -19.598  27.393  20.994
   32    HA   LYS   4           HA       LYS   4 -18.980  29.081  19.558
   33    HB2  LYS   4           HB2      LYS   4 -18.623  29.997  21.808
   34    HB3  LYS   4           HB1      LYS   4 -16.961  29.405  21.786
   35    HG2  LYS   4           HG2      LYS   4 -16.488  30.795  19.816
   36    HG3  LYS   4           HG1      LYS   4 -18.145  31.383  19.819
   37    HD2  LYS   4           HD2      LYS   4 -17.800  32.363  22.049
   38    HD3  LYS   4           HD1      LYS   4 -16.142  31.757  22.064
   39    HE2  LYS   4           HE2      LYS   4 -15.625  33.098  20.063
   40    HE3  LYS   4           HE1      LYS   4 -17.282  33.704  20.037
   41    HZ1  LYS   4           HZ1      LYS   4 -15.764  33.991  22.519
   42    HZ2  LYS   4           HZ2      LYS   4 -16.939  35.014  21.841
   43    HZ3  LYS   4           HZ3      LYS   4 -15.354  35.013  21.229
   44    H    ILE   5           HN       ILE   5 -18.196  28.316  17.669
   45    HA   ILE   5           HA       ILE   5 -16.700  27.435  16.128
   46    HB   ILE   5           HB       ILE   5 -15.171  29.829  17.178
   47   HG12  ILE   5          HG12      ILE   5 -17.464  29.756  15.185
   48   HG13  ILE   5          HG11      ILE   5 -17.635  30.253  16.867
   49   HG21  ILE   5          HG21      ILE   5 -13.857  29.526  15.330
   50   HG22  ILE   5          HG22      ILE   5 -15.272  29.625  14.289
   51   HG23  ILE   5          HG23      ILE   5 -14.753  28.066  14.919
   52   HD11  ILE   5          HD11      ILE   5 -17.335  32.189  15.364
   53   HD12  ILE   5          HD12      ILE   5 -15.771  31.544  14.867
   54   HD13  ILE   5          HD13      ILE   5 -16.027  32.052  16.537
   55    H    LEU   6           HN       LEU   6 -13.715  28.074  16.381
   56    HA   LEU   6           HA       LEU   6 -11.810  27.059  17.165
   57    HB2  LEU   6           HB2      LEU   6 -13.454  25.803  19.408
   58    HB3  LEU   6           HB1      LEU   6 -11.703  25.908  19.297
   59    HG   LEU   6           HG       LEU   6 -13.549  28.307  19.427
   60   HD11  LEU   6          HD11      LEU   6 -13.525  27.040  21.539
   61   HD12  LEU   6          HD12      LEU   6 -12.655  28.563  21.720
   62   HD13  LEU   6          HD13      LEU   6 -11.761  27.054  21.533
   63   HD21  LEU   6          HD21      LEU   6 -11.232  29.373  20.024
   64   HD22  LEU   6          HD22      LEU   6 -11.602  29.049  18.334
   65   HD23  LEU   6          HD23      LEU   6 -10.559  27.947  19.234
   66    H    ARG   7           HN       ARG   7 -14.797  25.099  17.144
   67    HA   ARG   7           HA       ARG   7 -13.513  22.630  16.592
   68    HB2  ARG   7           HB2      ARG   7 -16.215  23.533  15.563
   69    HB3  ARG   7           HB1      ARG   7 -15.666  21.874  15.770
   70    HG2  ARG   7           HG2      ARG   7 -16.232  23.901  17.957
   71    HG3  ARG   7           HG1      ARG   7 -17.104  22.407  17.636
   72    HD2  ARG   7           HD2      ARG   7 -14.285  22.699  18.702
   73    HD3  ARG   7           HD1      ARG   7 -15.674  21.985  19.502
   74    HE   ARG   7           HE       ARG   7 -15.320  20.505  17.189
   75   HH11  ARG   7          HH21      ARG   7 -13.500  21.361  20.004
   76   HH12  ARG   7          HH22      ARG   7 -12.582  19.892  20.027
   77   HH21  ARG   7          HH11      ARG   7 -14.120  18.574  17.213
   78   HH22  ARG   7          HH12      ARG   7 -12.933  18.315  18.448
   79    H    GLN   8           HN       GLN   8 -13.448  25.442  14.872
   80    HA   GLN   8           HA       GLN   8 -13.514  24.362  12.181
   81    HB2  GLN   8           HB2      GLN   8 -14.126  26.733  12.703
   82    HB3  GLN   8           HB1      GLN   8 -12.445  27.031  13.140
   83    HG2  GLN   8           HG2      GLN   8 -12.819  27.742  10.835
   84    HG3  GLN   8           HG1      GLN   8 -11.756  26.337  10.848
   85   HE21  GLN   8          HE21      GLN   8 -12.314  24.948   9.172
   86   HE22  GLN   8          HE22      GLN   8 -13.901  24.611   8.672
   87    H    ARG   9           HN       ARG   9 -10.983  25.898  14.142
   88    HA   ARG   9           HA       ARG   9  -8.731  25.531  12.733
   89    HB2  ARG   9           HB2      ARG   9  -8.963  26.498  15.053
   90    HB3  ARG   9           HB1      ARG   9  -8.843  24.853  15.672
   91    HG2  ARG   9           HG2      ARG   9  -6.635  24.583  14.735
   92    HG3  ARG   9           HG1      ARG   9  -6.763  26.109  13.860
   93    HD2  ARG   9           HD2      ARG   9  -6.815  25.828  16.877
   94    HD3  ARG   9           HD1      ARG   9  -5.408  26.316  15.937
   95    HE   ARG   9           HE       ARG   9  -7.503  28.030  15.235
   96   HH11  ARG   9          HH21      ARG   9  -5.631  27.157  18.012
   97   HH12  ARG   9          HH22      ARG   9  -5.756  28.716  18.757
   98   HH21  ARG   9          HH11      ARG   9  -7.674  30.074  16.207
   99   HH22  ARG   9          HH12      ARG   9  -6.913  30.367  17.735
  100    H    LYS  10           HN       LYS  10 -10.694  22.934  13.561
  101    HA   LYS  10           HA       LYS  10  -8.867  20.849  14.048
  102    HB2  LYS  10           HB2      LYS  10 -11.308  20.606  14.323
  103    HB3  LYS  10           HB1      LYS  10 -11.513  20.727  12.576
  104    HG2  LYS  10           HG2      LYS  10 -10.158  18.699  12.257
  105    HG3  LYS  10           HG1      LYS  10  -9.892  18.591  13.997
  106    HD2  LYS  10           HD2      LYS  10 -12.330  18.359  14.347
  107    HD3  LYS  10           HD1      LYS  10 -12.581  18.439  12.603
  108    HE2  LYS  10           HE2      LYS  10 -10.896  16.347  14.011
  109    HE3  LYS  10           HE1      LYS  10 -12.547  16.095  13.444
  110    HZ1  LYS  10           HZ1      LYS  10 -11.399  17.072  11.250
  111    HZ2  LYS  10           HZ2      LYS  10 -11.504  15.412  11.594
  112    HZ3  LYS  10           HZ3      LYS  10 -10.075  16.265  11.938
  113    H    ILE  11           HN       ILE  11 -10.087  22.238  11.010
  114    HA   ILE  11           HA       ILE  11  -8.985  20.396   9.271
  115    HB   ILE  11           HB       ILE  11  -8.793  22.420   7.612
  116   HG12  ILE  11          HG12      ILE  11 -10.190  24.303   8.118
  117   HG13  ILE  11          HG11      ILE  11 -10.790  23.566   9.600
  118   HG21  ILE  11          HG21      ILE  11 -11.275  22.224   7.232
  119   HG22  ILE  11          HG22      ILE  11 -11.386  21.320   8.742
  120   HG23  ILE  11          HG23      ILE  11 -10.449  20.674   7.394
  121   HD11  ILE  11          HD11      ILE  11  -8.705  23.893  10.718
  122   HD12  ILE  11          HD12      ILE  11  -8.977  25.392   9.834
  123   HD13  ILE  11          HD13      ILE  11  -7.855  24.190   9.203
  124    H    ASP  12           HN       ASP  12  -7.264  22.864  11.079
  125    HA   ASP  12           HA       ASP  12  -5.086  23.429   9.509
  126    HB2  ASP  12           HB2      ASP  12  -5.517  24.283  11.830
  127    HB3  ASP  12           HB1      ASP  12  -4.927  22.743  12.453
  128    H    ARG  13           HN       ARG  13  -5.972  20.429  10.978
  129    HA   ARG  13           HA       ARG  13  -3.545  19.062  11.067
  130    HB2  ARG  13           HB2      ARG  13  -6.359  18.093  10.560
  131    HB3  ARG  13           HB1      ARG  13  -4.988  17.008  10.796
  132    HG2  ARG  13           HG2      ARG  13  -4.545  18.018  12.993
  133    HG3  ARG  13           HG1      ARG  13  -5.890  19.135  12.760
  134    HD2  ARG  13           HD2      ARG  13  -7.451  17.231  12.623
  135    HD3  ARG  13           HD1      ARG  13  -6.110  16.113  12.855
  136    HE   ARG  13           HE       ARG  13  -6.109  17.947  14.990
  137   HH11  ARG  13          HH21      ARG  13  -8.021  15.399  13.638
  138   HH12  ARG  13          HH22      ARG  13  -8.700  14.916  15.156
  139   HH21  ARG  13          HH11      ARG  13  -6.995  17.320  16.984
  140   HH22  ARG  13          HH12      ARG  13  -8.119  16.003  17.051
  141    H    LEU  14           H        LEU  14  -5.517  19.911   8.285
  142    HA   LEU  14           HA       LEU  14  -4.775  17.950   6.433
  143    HB2  LEU  14           3HB      LEU  14  -5.191  20.985   6.012
  144    HB3  LEU  14           2HB      LEU  14  -5.016  19.849   4.690
  145    HG   LEU  14           HG       LEU  14  -7.292  19.799   6.764
  146   HD11  LEU  14          1HD1      LEU  14  -7.376  21.818   5.270
  147   HD12  LEU  14          2HD1      LEU  14  -7.295  20.780   3.826
  148   HD13  LEU  14          3HD1      LEU  14  -8.707  20.705   4.907
  149   HD21  LEU  14          3HD2      LEU  14  -8.420  18.201   5.139
  150   HD22  LEU  14          1HD2      LEU  14  -6.921  18.139   4.171
  151   HD23  LEU  14          2HD2      LEU  14  -6.949  17.519   5.840
  152    H    ILE  15           HN       ILE  15  -2.853  20.708   7.561
  153    HA   ILE  15           HA       ILE  15  -0.875  20.587   5.565
  154    HB   ILE  15           HB       ILE  15  -1.124  22.379   7.336
  155   HG12  ILE  15          HG12      ILE  15   1.655  21.177   7.204
  156   HG13  ILE  15          HG11      ILE  15   0.918  22.043   5.856
  157   HG21  ILE  15          HG21      ILE  15  -1.242  20.596   9.199
  158   HG22  ILE  15          HG22      ILE  15  -0.277  22.035   9.523
  159   HG23  ILE  15          HG23      ILE  15   0.515  20.526   9.071
  160   HD11  ILE  15          HD11      ILE  15   2.360  23.517   7.259
  161   HD12  ILE  15          HD12      ILE  15   1.304  23.194   8.634
  162   HD13  ILE  15          HD13      ILE  15   0.679  24.050   7.225
  163    H    ASP  16           HN       ASP  16  -1.252  18.811   8.597
  164    HA   ASP  16           HA       ASP  16   1.222  17.424   8.501
  165    HB2  ASP  16           HB2      ASP  16  -0.171  17.658  10.542
  166    HB3  ASP  16           HB1      ASP  16  -1.360  16.571   9.825
  167    H    ARG  17           HN       ARG  17  -2.023  16.646   7.327
  168    HA   ARG  17           HA       ARG  17  -1.452  13.995   6.487
  169    HB2  ARG  17           HB2      ARG  17  -3.733  14.871   6.916
  170    HB3  ARG  17           HB1      ARG  17  -3.580  15.903   5.493
  171    HG2  ARG  17           HG2      ARG  17  -3.291  13.944   4.066
  172    HG3  ARG  17           HG1      ARG  17  -3.352  12.886   5.475
  173    HD2  ARG  17           HD2      ARG  17  -5.647  13.675   5.957
  174    HD3  ARG  17           HD1      ARG  17  -5.587  14.705   4.530
  175    HE   ARG  17           HE       ARG  17  -5.941  11.820   4.575
  176   HH11  ARG  17          HH21      ARG  17  -5.050  14.637   2.774
  177   HH12  ARG  17          HH22      ARG  17  -5.381  13.924   1.231
  178   HH21  ARG  17          HH11      ARG  17  -6.379  10.879   2.555
  179   HH22  ARG  17          HH12      ARG  17  -6.134  11.796   1.107
  180    H    LEU  18           HN       LEU  18  -1.315  17.124   4.952
  181    HA   LEU  18           HA       LEU  18  -0.973  16.318   2.280
  182    HB2  LEU  18           HB2      LEU  18  -1.505  18.621   2.883
  183    HB3  LEU  18           HB1      LEU  18   0.058  18.797   3.676
  184    HG   LEU  18           HG       LEU  18   1.206  18.444   1.517
  185   HD11  LEU  18          HD11      LEU  18  -0.414  18.603  -0.546
  186   HD12  LEU  18          HD12      LEU  18  -1.623  17.980   0.577
  187   HD13  LEU  18          HD13      LEU  18  -0.171  17.041   0.231
  188   HD21  LEU  18          HD21      LEU  18   0.745  20.727   2.050
  189   HD22  LEU  18          HD22      LEU  18  -0.957  20.556   1.620
  190   HD23  LEU  18          HD23      LEU  18   0.278  20.524   0.361
  191    H    ILE  19           HN       ILE  19   1.470  16.971   4.790
  192    HA   ILE  19           HA       ILE  19   3.688  16.496   3.057
  193    HB   ILE  19           HB       ILE  19   4.992  16.455   5.187
  194   HG12  ILE  19          HG12      ILE  19   2.302  16.993   6.470
  195   HG13  ILE  19          HG11      ILE  19   3.098  15.425   6.518
  196   HG21  ILE  19          HG21      ILE  19   2.969  18.684   4.805
  197   HG22  ILE  19          HG22      ILE  19   4.560  18.572   4.052
  198   HG23  ILE  19          HG23      ILE  19   4.424  18.813   5.794
  199   HD11  ILE  19          HD11      ILE  19   3.526  16.854   8.539
  200   HD12  ILE  19          HD12      ILE  19   4.395  17.973   7.488
  201   HD13  ILE  19          HD13      ILE  19   4.982  16.324   7.700
  202    H    GLU  20           HN       GLU  20   1.853  14.426   5.252
  203    HA   GLU  20           HA       GLU  20   3.677  12.260   5.311
  204    HB2  GLU  20           HB2      GLU  20   0.674  12.343   5.641
  205    HB3  GLU  20           HB1      GLU  20   1.629  10.877   5.859
  206    HG2  GLU  20           HG2      GLU  20   2.180  13.454   7.347
  207    HG3  GLU  20           HG1      GLU  20   1.171  12.162   7.990
  208    H    ARG  21           HN       ARG  21   0.963  12.973   3.168
  209    HA   ARG  21           HA       ARG  21   0.847  10.667   1.712
  210    HB2  ARG  21           HB2      ARG  21  -0.755  12.446   1.390
  211    HB3  ARG  21           HB1      ARG  21   0.486  13.490   0.708
  212    HG2  ARG  21           HG2      ARG  21  -0.851  12.526  -1.094
  213    HG3  ARG  21           HG1      ARG  21   0.775  11.873  -1.170
  214    HD2  ARG  21           HD2      ARG  21   0.087   9.795  -0.210
  215    HD3  ARG  21           HD1      ARG  21  -1.493  10.443   0.226
  216    HE   ARG  21           HE       ARG  21  -0.649   9.489  -2.380
  217   HH11  ARG  21          HH21      ARG  21  -2.828  11.478  -0.573
  218   HH12  ARG  21          HH22      ARG  21  -4.077  11.439  -1.772
  219   HH21  ARG  21          HH11      ARG  21  -2.282   9.432  -3.957
  220   HH22  ARG  21          HH12      ARG  21  -3.768  10.280  -3.689
  221    H    ALA  22           HN       ALA  22   3.216  13.264   1.307
  222    HA   ALA  22           HA       ALA  22   4.302  12.312  -1.156
  223    HB1  ALA  22           HB1      ALA  22   4.838  14.549  -0.229
  224    HB2  ALA  22           HB2      ALA  22   6.286  13.608  -0.592
  225    HB3  ALA  22           HB3      ALA  22   5.733  13.767   1.074
  226    H    GLU  23           HN       GLU  23   5.100  11.774   2.225
  227    HA   GLU  23           HA       GLU  23   7.192   9.894   1.766
  228    HB2  GLU  23           HB2      GLU  23   5.473  10.482   4.185
  229    HB3  GLU  23           HB1      GLU  23   6.762   9.279   4.192
  230    HG2  GLU  23           HG2      GLU  23   8.423  10.957   3.675
  231    HG3  GLU  23           HG1      GLU  23   7.184  12.181   3.418
  232    H    ASP  24           HN       ASP  24   3.715   9.711   2.260
  233    HA   ASP  24           HA       ASP  24   3.791   6.759   2.046
  234    HB2  ASP  24           HB2      ASP  24   1.608   8.726   2.735
  235    HB3  ASP  24           HB1      ASP  24   1.298   7.014   2.459
  236    H    SER  25           HN       SER  25   4.344   6.532  -0.177
  237    HA   SER  25           HA       SER  25   2.194   6.409  -1.967
  238    HB2  SER  25           HB2      SER  25   2.225   8.783  -2.183
  239    HB3  SER  25           HB1      SER  25   3.985   8.829  -2.227
  240    HG   SER  25           HG       SER  25   2.143   8.131  -4.202
  241    H    GLY  26           HN       GLY  26   5.643   6.968  -1.604
  242    HA2  GLY  26           HA2      GLY  26   7.229   5.175  -2.066
  243    HA3  GLY  26           HA1      GLY  26   6.219   4.692  -3.426
  244    H    ASN  27           HN       ASN  27   5.786   6.692  -4.945
  245    HA   ASN  27           HA       ASN  27   8.434   7.781  -5.685
  246    HB2  ASN  27           HB2      ASN  27   7.505   8.055  -7.912
  247    HB3  ASN  27           HB1      ASN  27   7.221   6.403  -7.371
  248   HD21  ASN  27          HD21      ASN  27   5.450   6.718  -9.182
  249   HD22  ASN  27          HD22      ASN  27   3.944   7.292  -8.649
  250    H    GLU  28           HN       GLU  28   6.447   8.768  -3.617
  251    HA   GLU  28           HA       GLU  28   5.645  10.750  -2.832
  252    HB2  GLU  28           HB2      GLU  28   7.608  11.772  -4.888
  253    HB3  GLU  28           HB1      GLU  28   6.665  12.851  -3.863
  254    HG2  GLU  28           HG2      GLU  28   7.605  11.891  -1.857
  255    HG3  GLU  28           HG1      GLU  28   8.392  10.611  -2.781
  256    H    SER  29           HN       SER  29   5.974  11.516  -6.312
  257    HA   SER  29           HA       SER  29   4.347  11.761  -7.914
  258    HB2  SER  29           HB2      SER  29   2.207  10.958  -7.614
  259    HB3  SER  29           HB1      SER  29   3.051  10.102  -6.332
  260    HG   SER  29           HG       SER  29   2.091  11.316  -4.869
  261    H    GLU  30           HN       GLU  30   5.522  13.918  -7.155
  262    HA   GLU  30           HA       GLU  30   4.113  15.945  -5.810
  263    HB2  GLU  30           HB2      GLU  30   6.274  16.099  -7.916
  264    HB3  GLU  30           HB1      GLU  30   5.604  17.528  -7.133
  265    HG2  GLU  30           HG2      GLU  30   6.324  16.759  -4.957
  266    HG3  GLU  30           HG1      GLU  30   6.815  15.199  -5.609
  267    H    GLY  31           HN       GLY  31   4.331  15.186  -9.265
  268    HA2  GLY  31           HA2      GLY  31   2.835  17.198 -10.347
  269    HA3  GLY  31           HA1      GLY  31   2.835  15.550 -10.964
  270    H    GLU  32           HN       GLU  32   1.695  14.309  -8.611
  271    HA   GLU  32           HA       GLU  32  -1.099  14.985  -9.102
  272    HB2  GLU  32           HB2      GLU  32   0.247  12.810  -7.493
  273    HB3  GLU  32           HB1      GLU  32  -1.503  13.012  -7.584
  274    HG2  GLU  32           HG2      GLU  32  -1.464  12.718  -9.997
  275    HG3  GLU  32           HG1      GLU  32   0.298  12.673 -10.000
  276    H    ILE  33           HN       ILE  33   1.190  15.043  -6.413
  277    HA   ILE  33           HA       ILE  33  -0.730  15.961  -4.481
  278    HB   ILE  33           HB       ILE  33   2.237  15.464  -4.500
  279   HG12  ILE  33          HG12      ILE  33   0.062  14.025  -2.971
  280   HG13  ILE  33          HG11      ILE  33   0.485  13.573  -4.623
  281   HG21  ILE  33          HG21      ILE  33   2.005  17.130  -2.853
  282   HG22  ILE  33          HG22      ILE  33   1.952  15.611  -1.959
  283   HG23  ILE  33          HG23      ILE  33   0.459  16.488  -2.296
  284   HD11  ILE  33          HD11      ILE  33   1.789  12.160  -3.219
  285   HD12  ILE  33          HD12      ILE  33   2.250  13.500  -2.168
  286   HD13  ILE  33          HD13      ILE  33   2.902  13.393  -3.804
  287    H    SER  34           HN       SER  34   2.396  17.368  -5.511
  288    HA   SER  34           HA       SER  34   1.936  19.883  -4.327
  289    HB2  SER  34           HB2      SER  34   4.174  19.152  -4.998
  290    HB3  SER  34           HB1      SER  34   3.701  19.209  -6.693
  291    HG   SER  34           HG       SER  34   3.934  21.338  -4.839
  292    H    ALA  35           HN       ALA  35   1.636  18.917  -7.717
  293    HA   ALA  35           HA       ALA  35   0.719  21.312  -8.747
  294    HB1  ALA  35           HB1      ALA  35  -0.404  18.909 -10.028
  295    HB2  ALA  35           HB2      ALA  35   1.332  18.815  -9.715
  296    HB3  ALA  35           HB3      ALA  35   0.681  20.134 -10.689
  297    H    LEU  36           HN       LEU  36  -0.994  19.073  -6.739
  298    HA   LEU  36           HA       LEU  36  -3.649  19.670  -7.618
  299    HB2  LEU  36           HB2      LEU  36  -3.165  17.699  -6.201
  300    HB3  LEU  36           HB1      LEU  36  -2.677  18.765  -4.885
  301    HG   LEU  36           HG       LEU  36  -4.955  19.731  -4.833
  302   HD11  LEU  36          HD11      LEU  36  -5.306  17.876  -7.180
  303   HD12  LEU  36          HD12      LEU  36  -5.865  19.536  -6.977
  304   HD13  LEU  36          HD13      LEU  36  -6.689  18.225  -6.140
  305   HD21  LEU  36          HD21      LEU  36  -5.990  17.848  -3.762
  306   HD22  LEU  36          HD22      LEU  36  -4.252  17.672  -3.515
  307   HD23  LEU  36          HD23      LEU  36  -5.069  16.707  -4.743
  308    H    VAL  37           HN       VAL  37  -1.443  20.994  -5.224
  309    HA   VAL  37           HA       VAL  37  -3.152  22.875  -4.017
  310    HB   VAL  37           HB       VAL  37  -0.151  22.834  -4.375
  311   HG11  VAL  37          HG11      VAL  37  -0.675  25.124  -3.985
  312   HG12  VAL  37          HG12      VAL  37  -0.257  24.474  -2.400
  313   HG13  VAL  37          HG13      VAL  37  -1.949  24.715  -2.836
  314   HG21  VAL  37          HG21      VAL  37  -0.139  22.017  -2.097
  315   HG22  VAL  37          HG22      VAL  37  -1.265  21.020  -3.018
  316   HG23  VAL  37          HG23      VAL  37  -1.876  22.279  -1.945
  317    H    GLU  38           HN       GLU  38  -1.124  23.044  -6.901
  318    HA   GLU  38           HA       GLU  38  -1.208  25.792  -7.374
  319    HB2  GLU  38           HB2      GLU  38  -1.100  23.457  -9.290
  320    HB3  GLU  38           HB1      GLU  38  -0.933  25.135  -9.804
  321    HG2  GLU  38           HG2      GLU  38   1.020  25.434  -8.402
  322    HG3  GLU  38           HG1      GLU  38   0.804  23.838  -7.686
  323    H    LEU  39           HN       LEU  39  -3.615  23.288  -8.054
  324    HA   LEU  39           HA       LEU  39  -5.274  24.703  -9.776
  325    HB2  LEU  39           HB2      LEU  39  -5.587  22.322  -9.250
  326    HB3  LEU  39           HB1      LEU  39  -6.056  22.739  -7.604
  327    HG   LEU  39           HG       LEU  39  -8.000  24.003  -8.477
  328   HD11  LEU  39          HD11      LEU  39  -6.765  23.227 -11.115
  329   HD12  LEU  39          HD12      LEU  39  -7.429  24.782 -10.613
  330   HD13  LEU  39          HD13      LEU  39  -8.511  23.449 -11.000
  331   HD21  LEU  39          HD21      LEU  39  -9.266  22.030  -9.322
  332   HD22  LEU  39          HD22      LEU  39  -8.292  21.643  -7.904
  333   HD23  LEU  39          HD23      LEU  39  -7.742  21.162  -9.509
  334    H    GLY  40           HN       GLY  40  -5.053  24.825  -6.224
  335    HA2  GLY  40           HA2      GLY  40  -7.334  26.397  -5.728
  336    HA3  GLY  40           HA1      GLY  40  -5.909  26.295  -4.704
  337    H    VAL  41           HN       VAL  41  -4.013  27.219  -6.564
  338    HA   VAL  41           HA       VAL  41  -4.146  30.012  -6.147
  339    HB   VAL  41           HB       VAL  41  -2.338  28.295  -7.856
  340   HG11  VAL  41          HG11      VAL  41  -0.889  30.413  -7.853
  341   HG12  VAL  41          HG12      VAL  41  -2.360  31.280  -7.411
  342   HG13  VAL  41          HG13      VAL  41  -2.277  30.407  -8.940
  343   HG21  VAL  41          HG21      VAL  41  -2.327  28.298  -5.243
  344   HG22  VAL  41          HG22      VAL  41  -1.631  29.906  -5.399
  345   HG23  VAL  41          HG23      VAL  41  -0.792  28.516  -6.080
  346    H    GLU  42           HN       GLU  42  -4.634  28.063  -9.101
  347    HA   GLU  42           HA       GLU  42  -4.896  30.146 -10.934
  348    HB2  GLU  42           HB2      GLU  42  -6.191  27.425 -10.886
  349    HB3  GLU  42           HB1      GLU  42  -6.270  28.514 -12.272
  350    HG2  GLU  42           HG2      GLU  42  -3.670  27.651 -10.984
  351    HG3  GLU  42           HG1      GLU  42  -4.388  26.822 -12.363
  352    H    LEU  43           HN       LEU  43  -7.519  28.879  -8.837
  353    HA   LEU  43           HA       LEU  43  -9.467  30.585 -10.110
  354    HB2  LEU  43           HB2      LEU  43  -9.670  28.473  -7.955
  355    HB3  LEU  43           HB1      LEU  43 -10.929  29.695  -8.088
  356    HG   LEU  43           HG       LEU  43 -11.413  27.607  -9.373
  357   HD11  LEU  43          HD11      LEU  43 -12.057  30.121 -10.068
  358   HD12  LEU  43          HD12      LEU  43 -12.494  28.735 -11.060
  359   HD13  LEU  43          HD13      LEU  43 -11.090  29.707 -11.485
  360   HD21  LEU  43          HD21      LEU  43  -9.059  27.126 -10.031
  361   HD22  LEU  43          HD22      LEU  43  -9.107  28.505 -11.131
  362   HD23  LEU  43          HD23      LEU  43 -10.158  27.119 -11.409
  363    H    GLY  44           HN       GLY  44  -6.980  31.216  -8.026
  364    HA2  GLY  44           HA2      GLY  44  -6.570  33.209  -6.906
  365    HA3  GLY  44           HA1      GLY  44  -8.254  33.663  -7.133
  366    H    HIS  45           HN       HIS  45  -6.920  30.749  -5.645
  367    HA   HIS  45           HA       HIS  45  -7.525  29.729  -3.672
  368    HB2  HIS  45           HB2      HIS  45  -6.657  32.482  -2.792
  369    HB3  HIS  45           HB1      HIS  45  -6.905  31.122  -1.702
  370    HD1  HIS  45           HD1      HIS  45  -5.417  28.906  -2.339
  371    HD2  HIS  45           HD2      HIS  45  -4.126  32.544  -3.909
  372    HE1  HIS  45           HE1      HIS  45  -2.999  28.577  -3.013
  373    HE2  HIS  45           HE2      HIS  45  -2.194  30.792  -3.959
  374    H    HIS  46           HN       HIS  46  -9.793  29.470  -4.004
  375    HA   HIS  46           HA       HIS  46 -11.809  31.300  -3.673
  376    HB2  HIS  46           HB2      HIS  46 -12.059  28.808  -4.140
  377    HB3  HIS  46           HB1      HIS  46 -11.926  28.558  -2.399
  378    HD1  HIS  46           HD1      HIS  46 -13.805  29.715  -0.897
  379    HD2  HIS  46           HD2      HIS  46 -14.563  29.726  -4.997
  380    HE1  HIS  46           HE1      HIS  46 -16.258  30.281  -1.170
  381    HE2  HIS  46           HE2      HIS  46 -16.736  30.292  -3.664
  382    H    ALA  47           H        ALA  47  -9.599  30.082  -1.323
  383    HA   ALA  47           HA       ALA  47 -11.051  31.191   0.975
  384    HB1  ALA  47           3HB      ALA  47  -9.105  30.177   2.266
  385    HB2  ALA  47           1HB      ALA  47  -9.839  28.981   1.179
  386    HB3  ALA  47           2HB      ALA  47  -8.300  29.757   0.735
  387    HA   PRO  48           HA       PRO  48  -9.127  35.090   1.123
  388    HB2  PRO  48           HB2      PRO  48  -8.294  35.344   3.745
  389    HB3  PRO  48           HB1      PRO  48  -9.985  35.448   3.222
  390    HG2  PRO  48           HG2      PRO  48  -8.508  33.113   4.368
  391    HG3  PRO  48           HG1      PRO  48 -10.128  33.722   4.761
  392    HD2  PRO  48           HD2      PRO  48  -9.806  31.596   3.146
  393    HD3  PRO  48           HD1      PRO  48 -11.093  32.783   2.848
  394    H    TRP  49           HN       TRP  49  -7.183  32.886   0.247
  395    HA   TRP  49           HA       TRP  49  -4.671  33.872   1.492
  396    HB2  TRP  49           HB2      TRP  49  -5.193  31.472  -0.252
  397    HB3  TRP  49           HB1      TRP  49  -3.588  31.989   0.240
  398    HD1  TRP  49           HD1      TRP  49  -6.270  29.779   1.283
  399    HE1  TRP  49           HE1      TRP  49  -6.038  29.114   3.763
  400    HE3  TRP  49           HE3      TRP  49  -2.827  33.230   2.799
  401    HZ2  TRP  49           HZ2      TRP  49  -4.583  29.940   6.083
  402    HZ3  TRP  49           HZ3      TRP  49  -2.035  33.268   5.147
  403    HH2  TRP  49           HH2      TRP  49  -2.908  31.629   6.789
  404    H    ASP  50           HN       ASP  50  -6.464  34.362  -1.404
  405    HA   ASP  50           HA       ASP  50  -4.387  34.777  -3.249
  406    HB2  ASP  50           HB2      ASP  50  -6.874  34.611  -3.737
  407    HB3  ASP  50           HB1      ASP  50  -7.005  36.279  -3.187
  408    H    VAL  51           HN       VAL  51  -4.861  36.331  -0.384
  409    HA   VAL  51           HA       VAL  51  -3.941  38.168   0.564
  410    HB   VAL  51           HB       VAL  51  -2.670  38.783  -2.093
  411   HG11  VAL  51          HG11      VAL  51  -1.024  39.932  -0.738
  412   HG12  VAL  51          HG12      VAL  51  -1.780  39.344   0.743
  413   HG13  VAL  51          HG13      VAL  51  -2.625  40.511  -0.274
  414   HG21  VAL  51          HG21      VAL  51  -2.042  36.524  -1.648
  415   HG22  VAL  51          HG22      VAL  51  -1.880  36.838   0.080
  416   HG23  VAL  51          HG23      VAL  51  -0.704  37.506  -1.051
  417    H    ASP  52           HN       ASP  52  -5.069  38.794  -2.760
  418    HA   ASP  52           HA       ASP  52  -6.072  41.421  -1.979
  419    HB2  ASP  52           HB2      ASP  52  -6.067  39.891  -4.588
  420    HB3  ASP  52           HB1      ASP  52  -6.833  41.466  -4.390
  421    H    ASP  53           HN       ASP  53  -7.104  38.448  -1.366
  422    HA   ASP  53           HA       ASP  53  -9.124  37.462  -0.919
  423    HB2  ASP  53           HB2      ASP  53  -9.943  40.373  -0.842
  424    HB3  ASP  53           HB1      ASP  53 -11.011  39.047  -0.387
  425    H    LEU  54           HN       LEU  54  -8.325  37.653  -3.620
  426    HA   LEU  54           HA       LEU  54  -9.129  37.387  -5.753
  427    HB2  LEU  54           HB2      LEU  54 -10.565  35.752  -4.227
  428    HB3  LEU  54           HB1      LEU  54 -11.879  36.837  -4.667
  429    HG   LEU  54           HG       LEU  54 -10.046  35.467  -6.666
  430   HD11  LEU  54          HD11      LEU  54 -11.493  33.877  -5.406
  431   HD12  LEU  54          HD12      LEU  54 -11.928  33.980  -7.112
  432   HD13  LEU  54          HD13      LEU  54 -12.905  34.810  -5.901
  433   HD21  LEU  54          HD21      LEU  54 -11.988  36.152  -8.204
  434   HD22  LEU  54          HD22      LEU  54 -10.940  37.454  -7.642
  435   HD23  LEU  54          HD23      LEU  54 -12.516  37.203  -6.890