*HEADER    NEUROTOXIN                              02-AUG-96   1MVI      
*TITLE     N-TYPE CALCIUM CHANNEL BLOCKER, OMEGA-CONOTOXIN MVIIA,        
*TITLE    2 NMR, 15 STRUCTURES                                           
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: MVIIA;                                             
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: OMEGA-CONOTOXIN MVIIA;                              
*COMPND   5 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS MAGUS;                            
*SOURCE   4 ORGANISM_COMMON: MAGUS CONE                                  
*KEYWDS    CONUS MAGUS PEPTIDE SPECIFIC TO N-TYPE VOLTAGE SENSITIVE      
*KEYWDS   2 CALCIUM CHANNEL, NEUROTOXIN                                  
*EXPDTA    NMR, 15 STRUCTURES                                            
*AUTHOR    K.J.NIELSEN,L.THOMAS,R.J.LEWIS,P.F.ALEWOOD,D.J.CRAIK          
*REVDAT   1   12-OCT-04 1MVI    0   

------------------------------------------------------------------------ 
NOE.TBL 
------------------------------------------------------------------------ 
!  NOE table  april'95 
!  
!residue 1 
assign (resid  1  and name HB2  ) (resid   1 and name HA   ) 0 0 3.5 !C36 S 
assign (resid  1  and name HB1  ) (resid   1 and name HA   ) 0 0 3.5 !C37 M-S 
assign (resid 14  and name HB2  ) (resid   1 and name HA   ) 0 0 6.0 !C39 W   
assign (resid 14  and name HB1  ) (resid   1 and name HA   ) 0 0 6.0 !C40 VW  
!residue 2 
assign (resid  15  and name HA   ) (resid   2 and name HN   ) 0 0 2.7 ! A19 S 
assign (resid  14  and name HA   ) (resid   2 and name HN   ) 0 0 6.0 ! A20 VW 
assign (resid  1  and name HA   ) (resid   2 and name HN   ) 0 0 2.7 ! A21 S 
assign (resid  2  and name HA   ) (resid   2 and name HN   ) 0 0 3.5 ! A22 M 
assign (resid 16  and name HA   ) (resid   2 and name HN   ) 0 0 5.0 ! A23 W 
assign (resid  1  and name HB2   ) (resid   2 and name HN   ) 0 0 3.5 !A24 M 
assign (resid  1  and name HB1   ) (resid   2 and name HN   ) 0 0 3.5 ! A25 S 
assign (resid  2  and name HB*  ) (resid   2 and name HN   ) 0 0 4.5 ! A26 M 
assign (resid  2  and name HD*  ) (resid   2 and name HN   ) 0 0 7.0 ! A27 VW 
assign (resid  2  and name HG2  ) (resid   2 and name HN   ) 0 0 5.0 ! A28 W 
assign (resid  2  and name HG1  ) (resid   2 and name HN   ) 0 0 5.0 ! A29 W 
assign (resid  15  and name HN   ) (resid   2 and name HN   ) 0 0 5.0 !B50 W  
assign (resid  2  and name HE*   ) (resid   2 and name HA   ) 0 0 6.0 !C45 M OL 
!assign (resid  4  and name HE*   ) (resid   2/17/13 and name HA   ) 0 0 6.0 !C47 VW   
!assign (resid  17/19/7  and name HN   ) (resid   2 and name HN   ) 0 0 6.0 !B51 VW  
assign (resid  2  and name HB2   ) (resid   2 and name HA   ) 0 0 3.5 !C76 M OL 
assign (resid  2  and name HB1   ) (resid   2 and name HA   ) 0 0 3.5 !C77 S OL 
assign (resid  2  and name HD2   ) (resid   2 and name HA   ) 0 0 6.0 !C78 VW   
assign (resid  2  and name HD1   ) (resid   2 and name HA   ) 0 0 6.0 !C79 VW   
assign (resid  2  and name HG2   ) (resid   2 and name HA   ) 0 0 5.0 !C80 W    
assign (resid  2  and name HG1   ) (resid   2 and name HA   ) 0 0 5.0 !C81 M    
assign (resid  6  and name HB*   ) (resid   2 and name HA   ) 0 0 5.0 !C82a M   
!residue 3 
!assign (resid  24 and name HA   ) (resid   3 and name HN   ) 0 0 6.0 ! A42 VW not 
assign (resid   2 and name HA   ) (resid   3 and name HN   ) 0 0 2.7 ! A38 S 
assign (resid   3 and name HA1  ) (resid   3 and name HN   ) 0 0 3.5 ! A39 OL 
assign (resid   3 and name HA2  ) (resid   3 and name HN   ) 0 0 3.5 ! A40 OL 
assign (resid   2 and name HB*  ) (resid   3 and name HN   ) 0 0 4.5 ! A53 M 
assign (resid   2 and name HG*  ) (resid   3 and name HN   ) 0 0 4.5 ! A41 M 
assign (resid   6 and name HN   ) (resid   3 and name HN   ) 0 0 6.0 !B52 VW  
!residue 4 
assign (resid   3 and name HA2   ) (resid   4 and name HN   ) 0 0 3.5 !A125 S 
!assign (resid   3/4 and name HA1/HA   ) (resid   4 and name HN   ) 0 0     !A126 S 
assign (resid   4 and name HB*   ) (resid   4 and name HN   ) 0 0 4.5 !A131 OL S 
assign (resid   4 and name HD*   ) (resid   4 and name HN   ) 0 0 4.5 !A132 M 
assign (resid   4 and name HG*   ) (resid   4 and name HN   ) 0 0 7.0 !A134 VW 
assign (resid   3 and name HN    ) (resid   4 and name HN   ) 0 0 3.5 !B15 M  
assign (resid   4 and name HB2   ) (resid   4 and name HA   ) 0 0 3.5 !C89 M OL 
assign (resid   4 and name HB1   ) (resid   4 and name HA   ) 0 0 3.5 !C90 M OL 
assign (resid   4 and name HD*   ) (resid   4 and name HA   ) 0 0 6.0 !C91 W    
assign (resid   4 and name HG*   ) (resid   4 and name HA   ) 0 0 6.0 !C92 W    
!assign (resid  25 and name HB2   ) (resid   4/3 and name HA/HAL   ) 0 0     !C57 M  
!assign (resid  25 and name HB1   ) (resid   4/3 and name HA/HAL   ) 0 0     !C58 S  
!assign (resid     and name       ) (resid   4/19/3/23 and name HA/HBR/HAL   ) 0 0     !C59 VW 
!assign (resid 6/7 and name HB*/HG*   ) (resid   4/19/3/23 and name HA/HBR/HAL   ) 0 0     !C67 VW 
!residue 5 
assign (resid  5  and name HA2  ) (resid   5 and name HN   ) 0 0 3.5 ! A30 M-S 
assign (resid  5  and name HA1  ) (resid   5 and name HN   ) 0 0 3.5 ! A32 M-S 
assign (resid  4  and name HA   ) (resid   5 and name HN   ) 0 0 2.7 ! A31 S 
assign (resid 25  and name HB2  ) (resid   5 and name HN   ) 0 0 5.0 ! A33 W 
assign (resid 25  and name HB1  ) (resid   5 and name HN   ) 0 0 5.0 ! A34 M 
assign (resid  4  and name HB*  ) (resid   5 and name HN   ) 0 0 6.0 ! A35 W 
assign (resid  4  and name HD*  ) (resid   5 and name HN   ) 0 0 6.0 ! A36 W 
assign (resid  4  and name HG*  ) (resid   5 and name HN   ) 0 0 6.0 ! A37 W 
assign (resid  25 and name HN   ) (resid   5 and name HN   ) 0 0 3.5 ! B10 M 
assign (resid  25 and name H1   ) (resid   5 and name HN   ) 0 0 5.0 ! B11 M 
assign (resid  25 and name H2   ) (resid   5 and name HN   ) 0 0 6.0 ! B14 W 
assign (resid   4 and name HN   ) (resid   5 and name HN   ) 0 0 5.0 ! B12 M* 
assign (resid   6 and name HN   ) (resid   5 and name HN   ) 0 0 2.7 ! B13 S 
assign (resid  24 and name HD*  ) (resid   5 and name HA2  ) 0 0 6.0 ! C68 W 
assign (resid  24 and name HD*  ) (resid   5 and name HA1  ) 0 0 6.0 ! C69 W 
assign (resid  24 and name HB*  ) (resid   5 and name HA*  ) 0 0 8.0 ! C70 VW 
!residue 6 
assign (resid  6  and name HA   ) (resid   6 and name HN   ) 0 0 3.5 !A158 OL M 
assign (resid  5  and name HA2   ) (resid   6 and name HN   ) 0 0 3.5 !A159 OL S 
assign (resid  5  and name HA1   ) (resid   6 and name HN   ) 0 0 3.5 !A161 M 
assign (resid  4  and name HA   ) (resid   6 and name HN   ) 0 0 5.0 !A160 M* 
assign (resid  25 and name HB2   ) (resid   6 and name HN   ) 0 0 5.0 !A162 W 
assign (resid  25 and name HB1   ) (resid   6 and name HN   ) 0 0 5.0 !A163 M 
!assign (resid     and name H     ) (resid   6 and name HN   ) 0 0     !A165 VVW 
assign (resid   6 and name HB*  ) (resid   6 and name HN    ) 0 0 4.3 !A164 S 
!assign (resid     and name H     ) (resid   6 and name HN   ) 0 0     !A166 VVW 
assign (resid  4  and name HN   ) (resid   6 and name HN   ) 0 0 5.0 !B42 W 
!residue 7 
assign (resid  24 and name HA   ) (resid   7 and name HN   ) 0 0 6.0 ! A96 VW SD 
assign (resid   7 and name HA   ) (resid   7 and name HN   ) 0 0 3.5 ! A98 M 
assign (resid   6 and name HA   ) (resid   7 and name HN   ) 0 0 2.7 ! A101 S 
assign (resid   7 and name HB*  ) (resid   7 and name HN   ) 0 0 3.7 ! A107 S 
assign (resid   7 and name HD*  ) (resid   7 and name HN   ) 0 0 6.0 ! A108 W 
!assign (resid   6/7 and name HB*/HG*  ) (resid   7 and name HN   ) 0 0     ! A109 S OL 
assign (resid   6 and name HN   ) (resid   7 and name HN   ) 0 0 5.0 !B40 M* 
assign (resid   8 and name HN   ) (resid   7 and name HN   ) 0 0 5.0 !B53 W  
assign (resid   7 and name HB*  ) (resid   7 and name HA   ) 0 0 3.7 !C72 S  
assign (resid   7 and name HG*  ) (resid   7 and name HA   ) 0 0 6.0 !C75 W  
assign (resid  24 and name HG*  ) (resid   7 and name HA   ) 0 0 6.0 !C66 W  
!residue 8 
assign (resid  24 and name HA   ) (resid   8 and name HN   ) 0 0 3.5 ! A121 M 
assign (resid   8 and name HA   ) (resid   8 and name HN   ) 0 0 3.5 ! A122 M 
assign (resid   7 and name HA   ) (resid   8 and name HN   ) 0 0 2.7 ! A123 S 
assign (resid  23 and name HA*  ) (resid   8 and name HN   ) 0 0 7.0 ! A124 VW 
assign (resid  8  and name HB2  ) (resid   8 and name HN   ) 0 0 5.0 !A127 W 
assign (resid  8  and name HB1   ) (resid   8 and name HN   ) 0 0 3.5 !A128 M-S 
assign (resid  7  and name HB*   ) (resid   8 and name HN   ) 0 0 4.5 !A129 OL S 
assign (resid  7  and name HD*   ) (resid   8 and name HN   ) 0 0 6.0 !A130 OL W 
assign (resid  7  and name HN    ) (resid   8 and name HN   ) 0 0 5.0 !C W 
assign (resid  7  and name HG*   ) (resid   8 and name HN   ) 0 0 6.0 !A133 OL W 
assign (resid  24 and name HN   ) (resid   8 and name HN   ) 0 0 5.0 !B44 W   
assign (resid   8 and name HB2  ) (resid   8 and name HA   ) 0 0 2.7 !C7 S    
assign (resid   8 and name HB1  ) (resid   8 and name HA   ) 0 0 3.5 !C10 M-S 
assign (resid  25 and name HB*  ) (resid   8 and name HA   ) 0 0 6.0 !C8 W    
assign (resid  20 and name HB2  ) (resid   8 and name HA   ) 0 0 6.0 !C9 VW    
!residue 9 
assign (resid  8  and name HA    ) (resid   9 and name HN   ) 0 0 3.5 ! A54 M 
assign (resid  9  and name HA    ) (resid   9 and name HN   ) 0 0 3.5 ! A55 M 
assign (resid  9  and name HB1   ) (resid   9 and name HN   ) 0 0 5.0 ! A56 W 
assign (resid  9  and name HB2   ) (resid   9 and name HN   ) 0 0 5.0 ! A57 M 
assign (resid  8  and name HB2   ) (resid   9 and name HN   ) 0 0 3.5 ! A58 M 
assign (resid  8  and name HB1   ) (resid   9 and name HN   ) 0 0 3.5 ! A59 M 
!assign (resid     and name       ) (resid   9 and name HN   ) 0 0     ! A60 M 
!assign (resid     and name HN   ) (resid   9 and name HN   ) 0 0 5.0 !B21 W  
assign (resid  8  and name HN    ) (resid   9 and name HN   ) 0 0 5.0 !B22 M* 
assign (resid 12  and name HN    ) (resid   9 and name HN   ) 0 0 5.0 !B24 W  
assign (resid 10  and name HN    ) (resid   9 and name HN   ) 0 0 5.0 !B24a W  
assign (resid  9  and name HB2   ) (resid   9 and name HA   ) 0 0 3.5 !C25 S   
assign (resid  9  and name HB1   ) (resid   9 and name HA   ) 0 0 3.5 !C26 M  
!residue 10 
!assign (resid  9  and name HA     ) (resid   10 and name HN   ) 0 0 3.5 ! A61 OL 
assign (resid  10 and name HA     ) (resid   10 and name HN   ) 0 0 3.5 ! A62 M 
assign (resid   9  and name HB2   ) (resid   10 and name HN   ) 0 0 3.5 ! A63 M 
assign (resid   9  and name HB1   ) (resid   10 and name HN   ) 0 0 3.5 ! A64 
assign (resid  10  and name HD*   ) (resid   10 and name HN   ) 0 0 7.0 ! A65 VW 
assign (resid  10  and name HB*   ) (resid   10 and name HN   ) 0 0 3.5 !A66 M 
assign (resid  10  and name HG*   ) (resid   10 and name HN   ) 0 0 3.5 !A67 M 
assign (resid  10  and name HD*   ) (resid   10 and name HH** ) 0 0 4.5 !A188 M 
assign (resid  10  and name HB*   ) (resid   10 and name HH** ) 0 0 7.0 !A189 W 
assign (resid  10  and name HG*   ) (resid   10 and name HH** ) 0 0 7.0 !A190 W 
assign (resid  10  and name HD*   ) (resid   10 and name HA   ) 0 0 5.0 !C53 W  
assign (resid  16  and name HB2   ) (resid   17 and name HB   ) 0 0 5.0 !C56 W  
assign (resid  10  and name HB*   ) (resid   10 and name HA   ) 0 0 3.7 !C87 S  
assign (resid  10  and name HG*   ) (resid   10 and name HA   ) 0 0 4.5 !C88 M OL 
!residue 11 
assign (resid   9  and name HA    ) (resid   11 and name HN   ) 0 0 6.0 !A135A VW 
assign (resid  11  and name HA    ) (resid   11 and name HN   ) 0 0 3.5 !A138 M 
!assign (resid  10  and name HA    ) (resid   11 and name HN   ) 0 0     !A139 OL 
assign (resid   9  and name HB2  ) (resid   11 and name HN   ) 0 0 6.0 !A140 VW 
assign (resid   9  and name HB1  ) (resid   11 and name HN   ) 0 0 6.0 !A141 VW 
assign (resid  10  and name HB*  ) (resid   11 and name HN   ) 0 0 4.5 !A146 M  
!assign (resid  10/11  and name H    ) (resid   11 and name HN   ) 0 0     !A147 M  
assign (resid  11  and name HD** ) (resid   11 and name HN   ) 0 0 8.0 !A148 W  
assign (resid  10  and name HN   ) (resid   11 and name HN   ) 0 0 3.5 !B23 M 
!assign (resid  20  and name HB2  ) (resid   10/11/18/23/22 and name HA/HAR/HBR   ) 0 0 3.5 !C54 M 
!assign (resid  20  and name HB1  ) (resid   10/11/18/23/22 and name HA/HAR/HBR   ) 0 0 2.7 !C55 S 
assign (resid  11  and name HD1* ) (resid   11 and name HA   ) 0 0 6.5 !C84 W 
assign (resid  11  and name HD2* ) (resid   11 and name HA   ) 0 0 6.5 !C85 S 
!assign (resid  11  and name HB*/HG ) (resid   11 and name HA   ) 0 0     !C86 OL       
!residue 12 
assign (resid  12  and name HA   ) (resid   12 and name HN   ) 0 0 3.5 !A177 M 
assign (resid  11  and name HA   ) (resid   12 and name HN   ) 0 0 5.0 !A178 W 
assign (resid  12  and name HG1   ) (resid   12 and name HN   ) 0 0 5.0 !A179 W 
assign (resid  12  and name HG2   ) (resid   12 and name HN   ) 0 0 5.0 !A180 W 
assign (resid  12  and name HB*  ) (resid   12 and name HN   ) 0 0 4.5 !A181 M 
!assign (resid 11   and name HB*/HG ) (resid   12 and name HN   ) 0 0     !A182 M 
assign (resid  11  and name HN   ) (resid   12 and name HN   ) 0 0 3.5 !B45 M  
assign (resid  13  and name HN   ) (resid   12 and name HN   ) 0 0 3.5 !B47 M  
assign (resid  12  and name HG2  ) (resid   12 and name HA   ) 0 0 5.0 !C41 W  
assign (resid  12  and name HG1  ) (resid   12 and name HA   ) 0 0 5.0 !C42 M  
assign (resid  12  and name HB*  ) (resid   12 and name HA   ) 0 0 4.5 !C43 M  
assign (resid   9  and name HB2  ) (resid   12 and name HG2  ) 0 0 6.0 !C60 VW 
assign (resid   9  and name HB2  ) (resid   12 and name HG1  ) 0 0 6.0 !C61 VW 
assign (resid   9  and name HB1  ) (resid   12 and name HG2  ) 0 0 6.0 !C63 W  
assign (resid   9  and name HB1  ) (resid   12 and name HG1  ) 0 0 6.0 !C64 VW 
assign (resid   9  and name HB2  ) (resid   12 and name HB*  ) 0 0 7.0 !C62 VW 
assign (resid   9  and name HB1  ) (resid   12 and name HB*  ) 0 0 7.0 !C65 W 
!residue 13 
assign (resid  13  and name HA   ) (resid   13 and name HN   ) 0 0 3.5 !A149 M 
assign (resid  12  and name HA   ) (resid   13 and name HN   ) 0 0 2.7 !A150 S 
assign (resid  11  and name HA   ) (resid   13 and name HN   ) 0 0 5.0 !A151 W 
assign (resid  13  and name HB1   ) (resid   13 and name HN   ) 0 0 5.0 !A152 M 
assign (resid  13  and name HB2   ) (resid   13 and name HN   ) 0 0 3.5 !A153 S* 
!assign (resid  14/15  and name HBL   ) (resid   13 and name HN   ) 0 0 7.0 !A154 VVW 
assign (resid  12  and name HG*   ) (resid   13 and name HN   ) 0 0 8.0 !A155 VVW 
assign (resid  12  and name HB*   ) (resid   13 and name HN   ) 0 0 4.5 !A156 M 
!assign (resid      and name H    ) (resid   13 and name HN   ) 0 0     !A157 W 
assign (resid  13  and name HA   ) (resid   13 and name HD*   ) 0 0 4.7 !A192 S 
!assign (resid  16  and name HB1  ) (resid   13 and name HA   ) 0 0 6.0 !C48  VW 
!assign (resid  16  and name HB2  ) (resid   13 and name HA   ) 0 0 6.0 !C49  VW 
!assign (resid      and name      ) (resid   13 and name HD*   ) 0 0     !A193 VW 
assign (resid  11  and name HA   ) (resid   13 and name HD*   ) 0 0 7.0 !A194 W 
assign (resid  13  and name HB2  ) (resid   13 and name HD*   ) 0 0 3.7 !A195 S 
assign (resid  13  and name HB1  ) (resid   13 and name HD*   ) 0 0 3.7 !A196 S 
!assign (resid  20  and name HB*  ) (resid   13 and name HD*   ) 0 0 8.0 !A197 W 
!assign (resid  10/12  and name      ) (resid   13 and name HD*   ) 0 0     !A198 W 
!assign (resid      and name      ) (resid   13 and name HE*   ) 0 0     !A199 W 
assign (resid  13  and name HA   ) (resid   13 and name HE*   ) 0 0 8.0 !A200 VW 
assign (resid  11  and name HA   ) (resid   13 and name HE*   ) 0 0 8.0 !A201 W 
assign (resid  13  and name HB2  ) (resid   13 and name HE*   ) 0 0 8.0 !A202 VW 
assign (resid  13  and name HB1  ) (resid   13 and name HE*   ) 0 0 8.0 !A203 VW 
!assign (resid  10/12  and name HB*  ) (resid   13 and name HE*   ) 0 0 9.0 !A204 VW 
assign (resid  11  and name HB*  ) (resid   13 and name HE*   ) 0 0 9.0 !A205 VW 
assign (resid  13  and name  HD* ) (resid   13 and name HN    ) 0 0 5.5 !B48 M   
assign (resid  13  and name HB1  ) (resid   13 and name HA    ) 0 0 3.5 !C44 S   
assign (resid  13  and name HB2  ) (resid   13 and name HA    ) 0 0 5.0 !C46 W   
!residue 14 
assign (resid  14  and name HA   ) (resid   14 and name HN   ) 0 0 3.5 !A135 M 
assign (resid  13  and name HA   ) (resid   14 and name HN   ) 0 0 3.5 !A136 M 
assign (resid  13  and name HN   ) (resid   14 and name HN   ) 0 0 3.5 !B M 
assign (resid  12  and name HA   ) (resid   14 and name HN   ) 0 0 5.0 !A137 W 
assign (resid  13  and name HB2   ) (resid   14 and name HN   ) 0 0 5.0 !A142 W  
assign (resid  13  and name HB1   ) (resid   14 and name HN   ) 0 0 5.0 !A143 W 
assign (resid  14  and name HB2   ) (resid   14 and name HN   ) 0 0 3.5 !A144 M 
assign (resid  14  and name HB1   ) (resid   14 and name HN   ) 0 0 3.5 !A145 M 
!assign (resid  7/17  and name HN   ) (resid   14 and name HN   ) 0 0 3.5 !B39 M not 
!assign (resid  13  and name  HD* ) (resid   14 and name HN    ) 0 0 7.0 !B46 W   
assign (resid  13  and name HN   ) (resid   14 and name HN   ) 0 0 3.5 !B54 M  
assign (resid  14  and name HB2  ) (resid   14 and name HA   ) 0 0 2.7 !C21 S  
assign (resid  14  and name HB1  ) (resid   14 and name HA   ) 0 0 2.7 !C22 S  
assign (resid   8  and name HB2  ) (resid   14 and name HB*  ) 0 0 6.0 !C93 W  
assign (resid  20  and name HB2  ) (resid   14 and name HB*  ) 0 0 6.0 !C96 W  
!assign (resid   2/10/12  and name HB* ) (resid   14 and name HB1  ) 0 0 6.0 !C98 W  
!assign (resid   2/10/12  and name HB* ) (resid   14 and name HB2  ) 0 0 6.0 !C97 W  
!residue 15 
assign (resid  15  and name HA   ) (resid   15 and name HN   ) 0 0 3.5 ! A90 M 
assign (resid  14  and name HA   ) (resid   15 and name HN   ) 0 0 5.0 ! A91 W 
assign (resid  13  and name HA   ) (resid   15 and name HN   ) 0 0 5.0 ! A92 W 
assign (resid  15  and name HB1  ) (resid   15 and name HN   ) 0 0 3.5 !A93 M 
assign (resid  14  and name HB2  ) (resid   15 and name HN   ) 0 0 5.0 ! A94 W 
!assign (resid  14/15  and name HB1/HB2  ) (resid   15 and name HN   ) 0 0   ! A95 OL 
!assign (resid  8/4 and name HN   ) (resid   15 and name HN   ) 0 0 3.5 !B36 M  
assign (resid  14  and name HN   ) (resid   15 and name HN   ) 0 0 2.7 !B38 S  
!assign (resid  13  and name HD*  ) (resid   15 and name HN   ) 0 0 7.0 !B37 W  
assign (resid   1  and name HB*  ) (resid   15 and name HA   ) 0 0 6.0 !C11 W  
assign (resid  25  and name HB2  ) (resid   15 and name HA   ) 0 0 5.0 !C12 W 
assign (resid  25  and name HB1  ) (resid   15 and name HA   ) 0 0 5.0 !C14 W  
assign (resid  15  and name HB1  ) (resid   15 and name HA   ) 0 0 2.7 !C13 S  
assign (resid  15  and name HB2  ) (resid   15 and name HA   ) 0 0 3.5 !C16 M  
assign (resid  14  and name HB2  ) (resid   15 and name HA   ) 0 0 6.0 !C15 VW 
assign (resid  14  and name HB1  ) (resid   15 and name HA   ) 0 0 6.0 !C16a VW 
assign (resid   2  and name HB2  ) (resid   15 and name HA   ) 0 0 5.0 !C17 M* 
assign (resid   2  and name HB1  ) (resid   15 and name HA   ) 0 0 5.0 !C18 M*  
assign (resid  25  and name HB2  ) (resid   15 and name HB1  ) 0 0 5.0 !C94 M   
assign (resid  25  and name HB1  ) (resid   15 and name HB1  ) 0 0 5.0 !C95 W   
! residue 16 
assign (resid  15  and name HA   ) (resid   16 and name HN   ) 0 0 3.5 ! A1 M 
assign (resid  15  and name HN   ) (resid   16 and name HN   ) 0 0 5.0 ! A1 W 
assign (resid   1  and name HA    ) (resid  16 and name HN   ) 0 0 7.0 ! A2 VVW 
assign (resid   2  and name HA    ) (resid  16 and name HN   ) 0 0 7.0 ! A3 VVW 
assign (resid   3  and name HA*   ) (resid   16 and name HN   ) 0 0 7.0 ! A5 VW 
assign (resid   16 and name HA   ) (resid   16 and name HN   ) 0 0 3.5 ! A4 M 
assign (resid   16 and name HB1  ) (resid   16 and name HN   ) 0 0 3.5 ! A6 M 
assign (resid   16 and name HB2  ) (resid   16 and name HN   ) 0 0 3.5 ! A9 M 
assign (resid   15 and name HB1  ) (resid   16 and name HN   ) 0 0 3.5 ! A7 M 
assign (resid   15 and name HB2  ) (resid   16 and name HN   ) 0 0 5.0 ! A10 W 
assign (resid   1  and name HB*  ) (resid   16 and name HN   ) 0 0 4.5 ! A8 M 
assign (resid    2 and name HB*  ) (resid   16 and name HN   ) 0 0 6.0 ! A11 W 
assign (resid    2 and name HN   ) (resid   16 and name HN   ) 0 0 2.7 ! B1 S 
assign (resid    3 and name HN   ) (resid   16 and name HN   ) 0 0 5.0 ! B2 W 
assign (resid   17 and name HN   ) (resid   16 and name HN   ) 0 0 2.7 ! B3 S 
assign (resid    1 and name HA   ) (resid   16 and name HA   ) 0 0 5.0 !C97 W 
assign (resid   16 and name HB1  ) (resid   16 and name HA   ) 0 0 2.7 !C50 S 
assign (resid   16 and name HB2  ) (resid   16 and name HA   ) 0 0 5.0 !C51 W 
assign (resid    1 and name HB*  ) (resid   16 and name HA   ) 0 0 3.7 !C52 S 
!residue 17 
assign (resid  15  and name HA   ) (resid   17 and name HN   ) 0 0 5.0 ! A97 W 
assign (resid  17  and name HA   ) (resid   17 and name HN   ) 0 0 3.5 ! A99 M 
assign (resid  16  and name HA   ) (resid   17 and name HN   ) 0 0 5.0 ! A100 W 
assign (resid  17  and name HB   ) (resid   17 and name HN   ) 0 0 3.5 ! A102 M 
assign (resid  16  and name HB1  ) (resid   17 and name HN   ) 0 0 3.5 ! A103 M 
assign (resid  16  and name HB2  ) (resid   17 and name HN   ) 0 0 2.7 ! A105 S 
assign (resid  15  and name HB1  ) (resid   17 and name HN   ) 0 0 3.5 ! A104 M 
assign (resid  15  and name HB2  ) (resid   17 and name HN   ) 0 0 5.0 ! A106 W 
assign (resid  17  and name HG2* ) (resid   17 and name HN   ) 0 0 5.0 ! A110 M 
assign (resid  18  and name HN   ) (resid   17 and name HN   ) 0 0 3.5 !B31 M 
assign (resid  17  and name HB   ) (resid   17 and name HA   ) 0 0 3.5 !C27 M   
assign (resid  19  and name HB*  ) (resid   17 and name HA   ) 0 0 7.0 !C29 VW  
assign (resid  17  and name HG2* ) (resid   17 and name HA   ) 0 0 5.0 !C82 M   
assign (resid  17  and name HG2* ) (resid   17 and name HB   ) 0 0 4.2 !C83 S   
!residue 18 
assign (resid  17  and name HA    ) (resid   18 and name HN   ) 0 0 2.7 ! A85 S 
assign (resid  18  and name HA2   ) (resid   18 and name HN   ) 0 0 2.7 ! A86 S 
assign (resid  18  and name HA1   ) (resid   18 and name HN   ) 0 0 2.7 ! A87 S 
assign (resid  17  and name HG1*  ) (resid   18 and name HN   ) 0 0 6.5 ! A88 W 
assign (resid  15  and name HB2   ) (resid   18 and name HN   ) 0 0 6.0 ! A89 VW 
!residue 19 
assign (resid  19  and name HA   ) (resid   19 and name HN   ) 0 0 3.5 ! A111 M 
!assign (resid   6  and name HA   ) (resid   19/23 and name HN   ) 0 0 6.0 ! A113 not 
assign (resid  19  and name HB2   ) (resid   19 and name HN   ) 0 0 2.7 !A115 S 
assign (resid  19  and name HB1   ) (resid   19 and name HN   ) 0 0 3.5 !A116 M 
assign (resid  15  and name HB1   ) (resid   19 and name HN   ) 0 0 7.0 !A117 VVW 
assign (resid  15  and name HB2   ) (resid   19 and name HN   ) 0 0 6.0 !A118 VW 
assign (resid  19  and name HB2   ) (resid   19 and name HA   ) 0 0 3.5 !C23 S    
assign (resid  19  and name HB1   ) (resid   19 and name HA   ) 0 0 3.5 !C24 M-S 
assign (resid  15  and name HB1   ) (resid   19 and name HA   ) 0 0 6.0 !C34 VW   
assign (resid  15  and name HB2   ) (resid   19 and name HA   ) 0 0 6.0 !C35 VW  
assign (resid  18  and name HA*   ) (resid   19 and name HN   ) 0 0 4.5 ! A M 
assign (resid  18  and name HN    ) (resid   19 and name HN   ) 0 0 3.5 ! A M 
!residue 20 
!assign (resid  19/20  and name HA   ) (resid   20 and name HN   ) 0 0   !A68 OL 
assign (resid  19  and name HB2  ) (resid   20 and name HN   ) 0 0 3.5 ! A69 M 
assign (resid  19  and name HB1  ) (resid   20 and name HN   ) 0 0 3.5 ! A70 M 
assign (resid  20  and name HB2  ) (resid   20 and name HN   ) 0 0 3.5 ! A71 M 
assign (resid  20  and name HB1  ) (resid   20 and name HN   ) 0 0 3.5 ! A72 M 
assign (resid  22  and name HN   ) (resid   20 and name HN   ) 0 0 6.0 ! B4 VW  
assign (resid  21  and name HN   ) (resid   20 and name HN   ) 0 0 5.0 !B25 W  
assign (resid  15  and name HN   ) (resid   20 and name HN   ) 0 0 5.0 !B26 W  
assign (resid  19  and name HN   ) (resid   20 and name HN   ) 0 0 5.0 !B27 W  
assign (resid  20  and name HB2  ) (resid   20 and name HA   ) 0 0 2.7 !C30 S  
assign (resid  20  and name HB1  ) (resid   20 and name HA   ) 0 0 5.0 !C31 W  
assign (resid   8  and name HB2  ) (resid   20 and name HA   ) 0 0 6.0 !C32 VW 
assign (resid   8  and name HB1  ) (resid   20 and name HA   ) 0 0 6.0 !C32a VW 
assign (resid  25  and name HB*  ) (resid   20 and name HA   ) 0 0 7.0 !C33 VW 
!residue 21 
assign (resid  25  and name HA   ) (resid   21 and name HN   ) 0 0 5.0 ! A73 W 
assign (resid  20  and name HA   ) (resid   21 and name HN   ) 0 0 2.7 ! A74 S 
assign (resid  21  and name HA   ) (resid   21 and name HN   ) 0 0 3.5 ! A75 M 
assign (resid  20  and name HB2  ) (resid   21 and name HN   ) 0 0 5.0 ! A76 W 
assign (resid  20  and name HB1  ) (resid   21 and name HN   ) 0 0 5.0 ! A77 W 
assign (resid  21  and name HB*  ) (resid   21 and name HN   ) 0 0 4.5 ! A78 M 
assign (resid  21  and name HG2  ) (resid   21 and name HN   ) 0 0 5.0 ! A79 W 
assign (resid  21  and name HG1  ) (resid   21 and name HN   ) 0 0 5.0 ! A80 W 
assign (resid  21  and name HD*   ) (resid   21 and name HE   ) 0 0 6.0 ! A191 W 
assign (resid  25  and name H1    ) (resid   21 and name HN   ) 0 0 5.0 !B28 W 
assign (resid  23  and name HN    ) (resid   21 and name HN   ) 0 0 3.5 !B29 M  
assign (resid  24  and name HN    ) (resid   21 and name HN   ) 0 0 2.7 !B30 S  
assign (resid  21  and name HB2   ) (resid   21 and name HA   ) 0 0 5.0 !C71 S  
assign (resid  21  and name HB1   ) (resid   21 and name HA   ) 0 0 5.0 !C73 W  
assign (resid  21  and name HG*   ) (resid   21 and name HA   ) 0 0 6.0 !C74 W  
! residue 22 
assign (resid  21  and name HA   ) (resid   22 and name HN   ) 0 0 2.7 ! A12 S 
assign (resid  22  and name HB1  ) (resid   22 and name HN   ) 0 0 5.0 ! A13 W 
assign (resid  22  and name HB2   ) (resid   22 and name HN   ) 0 0 5.0 ! A15 W 
assign (resid  22  and name HA   ) (resid   22 and name HN   ) 0 0 2.7 ! A14 S 
assign (resid  21  and name HB*  ) (resid   22 and name HN   ) 0 0 6.0 ! A16 W 
assign (resid  21  and name HG2  ) (resid   22 and name HN   ) 0 0 8.0 ! A17 VW 
assign (resid  21  and name HG1  ) (resid   22 and name HN   ) 0 0 8.0 ! A18 VW 
assign (resid  21  and name HN   ) (resid   22 and name HN   ) 0 0 3.5 !B5 M   
assign (resid  23  and name HN   ) (resid   22 and name HN   ) 0 0 2.7 !B6 S   
assign (resid  24  and name HN   ) (resid   22 and name HN   ) 0 0 5.0 !B7 W   
!residue 23 
assign (resid  23  and name HA2   ) (resid   23 and name HN   ) 0 0 3.5 ! A114 OL 
assign (resid  23  and name HA1   ) (resid   23 and name HN   ) 0 0 3.5 ! A115 OL 
assign (resid  24  and name HN   ) (resid   23 and name HN   ) 0 0 2.7 !B41 S  
! residue 24 
assign (resid  7   and name HA   ) (resid   24 and name HN   ) 0 0 6.0 !A168 W 
assign (resid  23  and name HA2  ) (resid   24 and name HN   ) 0 0 3.5 !A169 M 
assign (resid  22  and name HB2  ) (resid   24 and name HN   ) 0 0 6.0 !A170 VW 
assign (resid  22  and name HB1  ) (resid   24 and name HN   ) 0 0 6.0 !A171 VW 
assign (resid  23  and name HA1  ) (resid   24 and name HN   ) 0 0 3.5 !A172 M 
assign (resid  24  and name HB2  ) (resid   24 and name HN   ) 0 0 5.0 !A173 M 
assign (resid  24  and name HB1  ) (resid   24 and name HN   ) 0 0 5.0 !A174 W 
assign (resid  24  and name HG2  ) (resid   24 and name HN   ) 0 0 6.0 !A175 W 
assign (resid  24  and name HG1  ) (resid   24 and name HN   ) 0 0 6.0 !A176 VW 
assign (resid  25  and name HE1   ) (resid   24 and name HN   ) 0 0 6.0 !B32 W  
assign (resid  25  and name HE2   ) (resid   24 and name HN   ) 0 0 6.0 !B32 W  
!assign (resid  14  and name HA    ) (resid   24 and name HA   ) 0 0 5.0 !C1 W ns not 
assign (resid  7  and name HA    ) (resid   24 and name HA   ) 0 0 3.5 !C2 S*  
assign (resid  24  and name HB2   ) (resid   24 and name HA   ) 0 0 3.5 !C3 M   
assign (resid  24  and name HB1   ) (resid   24 and name HA   ) 0 0 3.5 !C4 M   
assign (resid  24  and name HG1   ) (resid   24 and name HA   ) 0 0 5.0 !C5 W   
assign (resid  24  and name HG2   ) (resid   24 and name HA   ) 0 0 5.0 !C6 W   
!residue 25 
assign (resid  24  and name HA   ) (resid   25 and name HN   ) 0 0 2.7 ! A42a S 
assign (resid  25  and name HA   ) (resid   25 and name HN   ) 0 0 3.5 ! A43 M 
assign (resid   7  and name HA   ) (resid   25 and name HN   ) 0 0 5.0 ! A44 W 
assign (resid   5  and name HA2  ) (resid   25 and name HN   ) 0 0 7.0 ! A45 VVW 
assign (resid   5  and name HA1  ) (resid   25 and name HN   ) 0 0 7.0 ! A46 VVW 
assign (resid  25  and name HB2  ) (resid   25 and name HN   ) 0 0 3.5 ! A47 M 
assign (resid  25  and name HB1  ) (resid   25 and name HN   ) 0 0 3.5 ! A48 S 
assign (resid   8  and name HB*  ) (resid   25 and name HN   ) 0 0 6.0 ! 49 W 
assign (resid  24  and name HB2  ) (resid   25 and name HN   ) 0 0 5.0 ! A50 W 
assign (resid  24  and name HB1  ) (resid   25 and name HN   ) 0 0 5.0 ! A51 M 
assign (resid  24  and name HG*  ) (resid   25 and name HN   ) 0 0 7.0 ! A52 VW 
!assign (resid  21  and name HN   ) (resid   25 and name HN   ) 0 0 5.0 !B16 W ns 
assign (resid  25  and name H*   ) (resid   25 and name HN   ) 0 0 6.0 !B17 W   
assign (resid   7  and name HN   ) (resid   25 and name HN   ) 0 0 5.0 !B18 W 
assign (resid  8   and name HN   ) (resid   25 and name HN   ) 0 0 5.0 !B19 M* 
assign (resid  6   and name HN   ) (resid   25 and name HN   ) 0 0 2.7 !B20 S  
assign (resid  24  and name HN   ) (resid   25 and name HN   ) 0 0 5.0 !B53 OL 
assign (resid  25  and name HB2  ) (resid   25 and name HA   ) 0 0 5.0 !C19 M  
assign (resid  25  and name HB1  ) (resid   25 and name HA   ) 0 0 5.0 !C20 W  
assign (resid  20  and name HA   ) (resid   25 and name HA   ) 0 0 5.0 !C105 OL 
! Terminal NH2 
assign (resid   4  and name HA  ) (resid   25 and name H2    ) 0 0 6.0 !A185 W 
assign (resid  25  and name HA  ) (resid   25 and name H1  ) 0 0 2.7 ! A81 S 
assign (resid  25  and name HA  ) (resid   25 and name H2  ) 0 0 5.0 ! A183 M-W 
assign (resid  20  and name HA  ) (resid   25 and name H1  ) 0 0 3.5 ! A82 M 
assign (resid  20  and name HA  ) (resid   25 and name H2  ) 0 0 6.0 ! A184 VW 
assign (resid  25  and name HB2 ) (resid   25 and name H1  ) 0 0 5.0 ! A83 M 
assign (resid  25  and name HB1 ) (resid   25 and name H1  ) 0 0 5.0 ! A84 W 
assign (resid  25  and name HB2 ) (resid   25 and name H2  ) 0 0 6.0 ! A186 W 
assign (resid  25  and name HB1 ) (resid   25 and name H2  ) 0 0 6.0 ! A187 VW 
!assign (resid      and name HN  ) (resid   25 and name H*  ) 0 0     ! B34 M   
!assign (resid      and name HN  ) (resid   25 and name H*  ) 0 0     ! B35 W   
assign (resid  19  and name HN  ) (resid   25 and name H2  ) 0 0 5.0 ! B43 W  
! Hbonds 
assign (resid  24 and name  O     )(resid  21 and name  HN    ) 1.88 0.3 0.42 
assign (resid  24 and name  O     )(resid  21 and name  N     ) 1.88 0.3 1.32 
assign (resid   3 and name  O     )(resid   6 and name  HN    ) 1.88 0.3 0.42 
assign (resid   3 and name  O     )(resid   6 and name  N     ) 1.88 0.3 1.32 
assign (resid  21 and name  O     )(resid  24 and name  HN    ) 1.88 0.3 0.42 
assign (resid  21 and name  O     )(resid  24 and name  N     ) 1.88 0.3 1.32 
assign (resid  15 and name  O     )(resid  18 and name  HN    ) 1.88 0.3 0.42 
assign (resid  15 and name  O     )(resid  18 and name  N     ) 1.88 0.3 1.32 
assign (resid   6 and name  O     )(resid  25 and name  HN    ) 1.88 0.3 0.42 
assign (resid   6 and name  O     )(resid  25 and name  N     ) 1.88 0.3 1.32 
assign (resid  25 and name  O     )(resid   5 and name  HN    ) 1.88 0.3 0.42 
assign (resid  25 and name  O     )(resid   5 and name  N     ) 1.88 0.3 1.32 
assign (resid  23 and name  O     )(resid   8 and name  HN    ) 1.88 0.3 0.42 
assign (resid  23 and name  O     )(resid   8 and name  N     ) 1.88 0.3 1.32 
assign (resid  14 and name  O     )(resid   2 and name  HN    ) 1.88 0.3 0.42 
assign (resid  14 and name  O     )(resid   2 and name  N     ) 1.88 0.3 1.32 
assign (resid   2 and name  O     )(resid  16 and name  HN    ) 1.88 0.3 0.42 
assign (resid   2 and name  O     )(resid  16 and name  N     ) 1.88 0.3 1.32 
assign (resid   9 and name  O     )(resid  12 and name  HN    ) 1.88 0.3 0.42 
assign (resid   9 and name  O     )(resid  12 and name  N     ) 1.88 0.3 1.32 
 
---------------------------------------------------------------------------- 
DIHED.TBL 
--------------------------------------------------------------------------- 
restraints dihedral reset 
! phi angles 
  !!   1    
 assign (resid  23 and name C )   (resid  24 and name N )  
        (resid  24 and name CA)   (resid  24 and name C )   1 -120.0   40.0  2 
  !!   2    
 assign (resid  20 and name C )   (resid  21 and name N )  
        (resid  21 and name CA)   (resid  21 and name C )   1 -120.0   40.0  2 
  !!   3    
 assign (resid  18 and name C )   (resid  19 and name N )  
        (resid  19 and name CA)   (resid  19 and name C )   1 -120.0   40.0  2 
  !!   4    
 assign (resid  16 and name C )   (resid  17 and name N )  
        (resid  17 and name CA)   (resid  17 and name C )   1 -120.0   50.0  2 
  !!   5     
 assign (resid   7 and name C )   (resid   8 and name N )  
        (resid   8 and name CA)   (resid   8 and name C )   1 -120.0   40.0  2 
  !!   6     
 assign (resid   8 and name C )   (resid   9 and name N )  
        (resid   9 and name CA)   (resid   9 and name C )   1 -120.0   40.0  2 
 !!    7    
 assign (resid 15 and name C )    (resid  16 and name N ) 
        (resid 16 and name CA)    (resid  16 and name C )   1 -65.0   30.0  2 
 !!    8    
 assign (resid 24 and name C )    (resid  25 and name N ) 
        (resid 25 and name CA)    (resid  25 and name C )   1 -65.0   30.0  2 
!!     9  
 assign (resid  5 and name C )    (resid   6 and name N ) 
        (resid  6 and name CA)    (resid   6 and name C )   1 -65.0   30.0  2 
!!    10 
 assign (resid  9 and name C )    (resid  10 and name N ) 
        (resid 10 and name CA)    (resid  10 and name C )   1 -65.0   30.0  2 
!!    11  
 assign (resid  3 and name C )    (resid   4 and name N ) 
        (resid  4 and name CA)    (resid   4 and name C )   1 -65.0   30.0  2 
!!    12 
 assign (resid  6 and name C )    (resid   7 and name N ) 
        (resid  7 and name CA)    (resid   7 and name C )   1 -65.0   30.0  2 
!!    13 
 assign (resid 11 and name C )    (resid  12 and name N ) 
        (resid 12 and name CA)    (resid  12 and name C )   1 -120.0  50.0  2 
!!    14 
 assign (resid 10 and name C )    (resid  11 and name N ) 
        (resid 11 and name CA)    (resid  11 and name C )   1 -65.0   30.0  2 
!!    15 
 assign (resid 2 and name C )    (resid  3 and name N ) 
        (resid 3 and name CA)    (resid  3 and name C )   1 -65.0   30.0  2 
 
! chi angles 
  !!	1 
 assign (resid   1 and name N )   (resid   1 and name CA)  
        (resid   1 and name CB)   (resid   1 and name SG)   1  60.0   30.0  2 
  !!	2 
 assign (resid   8 and name N )   (resid   8 and name CA)  
        (resid   8 and name CB)   (resid   8 and name SG)   1  60.0   30.0  2 
 
  !!	3 
 assign (resid  15 and name N )   (resid  15 and name CA)  
        (resid  15 and name CB)   (resid  15 and name SG)   1 -60.0   30.0  2 
  !!	4 
 assign (resid  16 and name N )   (resid  16 and name CA)  
        (resid  16 and name CB)   (resid  16 and name SG)   1 -60.0   30.0  2 
  !!	5 
 assign (resid  20 and name N )   (resid  20 and name CA)  
        (resid  20 and name CB)   (resid  20 and name SG)   1 180.0   30.0  2 
  !!	6 
 assign (resid  13 and name N )   (resid  13 and name CA)  
        (resid  13 and name CB)   (resid  13 and name CG)   1 -60.0   30.0  2 
  !!	7 
 assign (resid  25 and name N )   (resid  25 and name CA)  
        (resid  25 and name CB)   (resid  25 and name SG)   1 -60.0   30.0  2 
  !!	8 
 assign (resid   2 and name N )   (resid   2 and name CA)  
        (resid   2 and name CB)   (resid   2 and name CG)   1 -60.0   30.0  2 
  !!	9 
 assign (resid  24 and name N )   (resid  24 and name CA)  
        (resid  24 and name CB)   (resid  24 and name OG1)   1 180.0   30.0  2 
end  

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    CYS   1          2H        CYS   1  14.709  28.651  28.651
    2   2H    CYS   1          1H        CYS   1  13.895  27.565  27.565
    3   3H    CYS   1          3H        CYS   1  15.555  27.849  27.849
    4    HA   CYS   1           HA       CYS   1  16.045  26.845  26.845
    5   1HB   CYS   1          2HB       CYS   1  15.871  24.668  24.668
    6   2HB   CYS   1          1HB       CYS   1  15.519  25.494  25.494
    7    H    LYS   2           H        LYS   2  14.700  24.759  24.759
    8    HA   LYS   2           HA       LYS   2  12.236  25.916  25.916
    9   1HB   LYS   2          2HB       LYS   2  14.791  25.018  25.018
   10   2HB   LYS   2          1HB       LYS   2  13.305  24.627  24.627
   11   1HG   LYS   2          2HG       LYS   2  12.637  27.090  27.090
   12   2HG   LYS   2          1HG       LYS   2  14.252  27.393  27.393
   13   1HD   LYS   2          2HD       LYS   2  15.238  27.184  27.184
   14   2HD   LYS   2          1HD       LYS   2  14.143  25.931  25.931
   15   1HE   LYS   2          2HE       LYS   2  12.731  27.464  27.464
   16   2HE   LYS   2          1HE       LYS   2  12.862  28.597  28.597
   17   1HZ   LYS   2          1HZ       LYS   2  15.144  28.180  28.180
   18   2HZ   LYS   2          3HZ       LYS   2  13.865  29.192  29.192
   19   3HZ   LYS   2          2HZ       LYS   2  14.748  29.534  29.534
   20    H    GLY   3           H        GLY   3  10.629  24.621  24.621
   21   1HA   GLY   3          2HA       GLY   3  10.648  21.970  21.970
   22   2HA   GLY   3          1HA       GLY   3   9.256  22.769  22.769
   23    H    LYS   4           H        LYS   4   9.929  20.049  20.049
   24    HA   LYS   4           HA       LYS   4  11.260  19.486  19.486
   25   1HB   LYS   4          2HB       LYS   4   9.252  17.924  17.924
   26   2HB   LYS   4          1HB       LYS   4   9.974  17.264  17.264
   27   1HG   LYS   4          2HG       LYS   4  11.629  16.519  16.519
   28   2HG   LYS   4          1HG       LYS   4  12.245  18.147  18.147
   29   1HD   LYS   4          2HD       LYS   4  12.162  18.066  18.066
   30   2HD   LYS   4          1HD       LYS   4  10.501  18.557  18.557
   31   1HE   LYS   4          2HE       LYS   4  11.361  15.635  15.635
   32   2HE   LYS   4          1HE       LYS   4  10.797  16.567  16.567
   33   1HZ   LYS   4          2HZ       LYS   4   9.262  16.084  16.084
   34   2HZ   LYS   4          1HZ       LYS   4   9.026  15.290  15.290
   35   3HZ   LYS   4          3HZ       LYS   4   8.720  16.956  16.956
   36    H    GLY   5           H        GLY   5  10.563  20.765  20.765
   37   1HA   GLY   5          2HA       GLY   5   9.046  20.297  20.297
   38   2HA   GLY   5          1HA       GLY   5   7.735  20.715  20.715
   39    H    ALA   6           H        ALA   6  10.711  22.257  22.257
   40    HA   ALA   6           HA       ALA   6   9.631  24.874  24.874
   41   1HB   ALA   6          3HB       ALA   6  11.983  24.126  24.126
   42   2HB   ALA   6          2HB       ALA   6  11.478  25.780  25.780
   43   3HB   ALA   6          1HB       ALA   6  10.424  24.699  24.699
   44    H    LYS   7           H        LYS   7  11.010  26.365  26.365
   45    HA   LYS   7           HA       LYS   7  12.461  25.131  25.131
   46   1HB   LYS   7          2HB       LYS   7  11.014  27.145  27.145
   47   2HB   LYS   7          1HB       LYS   7  12.087  28.061  28.061
   48   1HG   LYS   7          2HG       LYS   7  13.789  26.933  26.933
   49   2HG   LYS   7          1HG       LYS   7  12.344  27.388  27.388
   50   1HD   LYS   7          2HD       LYS   7  13.751  29.300  29.300
   51   2HD   LYS   7          1HD       LYS   7  14.203  29.177  29.177
   52   1HE   LYS   7          2HE       LYS   7  11.366  29.804  29.804
   53   2HE   LYS   7          1HE       LYS   7  12.535  31.017  31.017
   54   1HZ   LYS   7          1HZ       LYS   7  12.707  29.714  29.714
   55   2HZ   LYS   7          3HZ       LYS   7  11.306  28.895  28.895
   56   3HZ   LYS   7          2HZ       LYS   7  11.265  30.575  30.575
   57    H    CYS   8           H        CYS   8  14.123  24.082  24.082
   58    HA   CYS   8           HA       CYS   8  16.060  25.651  25.651
   59   1HB   CYS   8          2HB       CYS   8  17.026  23.653  23.653
   60   2HB   CYS   8          1HB       CYS   8  15.360  23.227  23.227
   61    H    SER   9           H        SER   9  18.464  24.344  24.344
   62    HA   SER   9           HA       SER   9  18.799  24.840  24.840
   63   1HB   SER   9          2HB       SER   9  20.779  26.541  26.541
   64   2HB   SER   9          1HB       SER   9  19.846  26.919  26.919
   65    HG   SER   9           HG       SER   9  18.076  27.360  27.360
   66    H    ARG  10           H        ARG  10  20.827  24.122  24.122
   67    HA   ARG  10           HA       ARG  10  21.884  21.837  21.837
   68   1HB   ARG  10          2HB       ARG  10  22.974  23.630  23.630
   69   2HB   ARG  10          1HB       ARG  10  23.870  22.225  22.225
   70   1HG   ARG  10          2HG       ARG  10  21.925  20.777  20.777
   71   2HG   ARG  10          1HG       ARG  10  21.023  22.180  22.180
   72   1HD   ARG  10          2HD       ARG  10  21.900  21.220  21.220
   73   2HD   ARG  10          1HD       ARG  10  23.020  22.542  22.542
   74    HE   ARG  10           HE       ARG  10  24.157  20.423  20.423
   75   1HH1  ARG  10          2HH1      ARG  10  23.005  20.909  20.909
   76   2HH1  ARG  10          1HH1      ARG  10  24.135  19.792  19.792
   77   1HH2  ARG  10          1HH2      ARG  10  25.599  19.012  19.012
   78   2HH2  ARG  10          2HH2      ARG  10  25.625  18.704  18.704
   79    H    LEU  11           H        LEU  11  22.920  25.145  25.145
   80    HA   LEU  11           HA       LEU  11  25.199  24.558  24.558
   81   1HB   LEU  11          2HB       LEU  11  25.133  26.164  26.164
   82   2HB   LEU  11          1HB       LEU  11  24.549  27.330  27.330
   83    HG   LEU  11           HG       LEU  11  26.644  26.598  26.598
   84   1HD1  LEU  11          2HD1      LEU  11  27.212  24.610  24.610
   85   2HD1  LEU  11          1HD1      LEU  11  27.529  25.685  25.685
   86   3HD1  LEU  11          3HD1      LEU  11  28.539  25.753  25.753
   87   1HD2  LEU  11          1HD2      LEU  11  26.968  28.163  28.163
   88   2HD2  LEU  11          3HD2      LEU  11  26.430  28.822  28.822
   89   3HD2  LEU  11          2HD2      LEU  11  28.074  28.232  28.232
   90    H    MET  12           H        MET  12  22.224  24.662  24.662
   91    HA   MET  12           HA       MET  12  22.616  26.031  26.031
   92   1HB   MET  12          2HB       MET  12  20.517  26.898  26.898
   93   2HB   MET  12          1HB       MET  12  20.308  27.182  27.182
   94   1HG   MET  12          2HG       MET  12  22.772  28.199  28.199
   95   2HG   MET  12          1HG       MET  12  22.231  28.454  28.454
   96   1HE   MET  12          2HE       MET  12  19.461  29.342  29.342
   97   2HE   MET  12          1HE       MET  12  19.507  31.053  31.053
   98   3HE   MET  12          3HE       MET  12  20.760  30.368  30.368
   99    H    TYR  13           H        TYR  13  22.435  24.193  24.193
  100    HA   TYR  13           HA       TYR  13  20.073  22.414  22.414
  101   1HB   TYR  13          2HB       TYR  13  22.560  22.262  22.262
  102   2HB   TYR  13          1HB       TYR  13  21.315  21.019  21.019
  103    HD1  TYR  13           HD2      TYR  13  24.001  22.678  22.678
  104    HD2  TYR  13           HD1      TYR  13  21.100  19.557  19.557
  105    HE1  TYR  13           HE2      TYR  13  25.065  21.707  21.707
  106    HE2  TYR  13           HE1      TYR  13  22.166  18.591  18.591
  107    HH   TYR  13           HH       TYR  13  24.980  20.127  20.127
  108    H    ASP  14           H        ASP  14  19.344  24.775  24.775
  109    HA   ASP  14           HA       ASP  14  19.132  25.875  25.875
  110   1HB   ASP  14          2HB       ASP  14  16.920  26.845  26.845
  111   2HB   ASP  14          1HB       ASP  14  18.486  27.269  27.269
  112    H    CYS  15           H        CYS  15  17.531  23.151  23.151
  113    HA   CYS  15           HA       CYS  15  15.170  23.157  23.157
  114   1HB   CYS  15          2HB       CYS  15  16.617  20.619  20.619
  115   2HB   CYS  15          1HB       CYS  15  14.911  20.951  20.951
  116    H    CYS  16           H        CYS  16  14.649  22.298  22.298
  117    HA   CYS  16           HA       CYS  16  16.455  22.637  22.637
  118   1HB   CYS  16          2HB       CYS  16  13.854  21.249  21.249
  119   2HB   CYS  16          1HB       CYS  16  14.732  20.886  20.886
  120    H    THR  17           H        THR  17  15.676  19.740  19.740
  121    HA   THR  17           HA       THR  17  17.886  18.312  18.312
  122    HB   THR  17           HB       THR  17  15.591  17.382  17.382
  123    HG1  THR  17           HG1      THR  17  16.153  15.263  15.263
  124   1HG2  THR  17          1HG2      THR  17  15.540  16.727  16.727
  125   2HG2  THR  17          3HG2      THR  17  14.368  16.191  16.191
  126   3HG2  THR  17          2HG2      THR  17  14.487  17.892  17.892
  127    H    GLY  18           H        GLY  18  18.474  19.861  19.861
  128   1HA   GLY  18          2HA       GLY  18  19.508  19.835  19.835
  129   2HA   GLY  18          1HA       GLY  18  20.298  18.413  18.413
  130    H    SER  19           H        SER  19  16.993  18.949  18.949
  131    HA   SER  19           HA       SER  19  16.646  16.485  16.485
  132   1HB   SER  19          2HB       SER  19  15.068  18.374  18.374
  133   2HB   SER  19          1HB       SER  19  14.348  18.258  18.258
  134    HG   SER  19           HG       SER  19  13.831  16.589  16.589
  135    H    CYS  20           H        CYS  20  17.544  19.571  19.571
  136    HA   CYS  20           HA       CYS  20  16.399  20.221  20.221
  137   1HB   CYS  20          2HB       CYS  20  18.158  21.558  21.558
  138   2HB   CYS  20          1HB       CYS  20  19.354  20.398  20.398
  139    H    ARG  21           H        ARG  21  16.223  19.465  19.465
  140    HA   ARG  21           HA       ARG  21  18.022  17.281  17.281
  141   1HB   ARG  21          2HB       ARG  21  15.040  17.704  17.704
  142   2HB   ARG  21          1HB       ARG  21  16.030  16.511  16.511
  143   1HG   ARG  21          2HG       ARG  21  16.063  15.083  15.083
  144   2HG   ARG  21          1HG       ARG  21  16.240  16.355  16.355
  145   1HD   ARG  21          2HD       ARG  21  14.030  15.093  15.093
  146   2HD   ARG  21          1HD       ARG  21  13.849  16.829  16.829
  147    HE   ARG  21           HE       ARG  21  13.793  15.009  15.009
  148   1HH1  ARG  21          1HH2      ARG  21  12.260  17.456  17.456
  149   2HH1  ARG  21          2HH2      ARG  21  10.993  17.697  17.697
  150   1HH2  ARG  21          2HH1      ARG  21  12.198  15.327  15.327
  151   2HH2  ARG  21          1HH1      ARG  21  10.951  16.490  16.490
  152    H    SER  22           H        SER  22  19.182  19.221  19.221
  153    HA   SER  22           HA       SER  22  20.038  20.791  20.791
  154   1HB   SER  22          2HB       SER  22  18.698  18.875  18.875
  155   2HB   SER  22          1HB       SER  22  19.958  20.041  20.041
  156    HG   SER  22           HG       SER  22  20.168  18.093  18.093
  157    H    GLY  23           H        GLY  23  17.417  21.310  21.310
  158   1HA   GLY  23          2HA       GLY  23  16.687  23.740  23.740
  159   2HA   GLY  23          1HA       GLY  23  16.143  22.902  22.902
  160    H    LYS  24           H        LYS  24  15.436  20.593  20.593
  161    HA   LYS  24           HA       LYS  24  12.853  21.792  21.792
  162   1HB   LYS  24          2HB       LYS  24  12.825  20.277  20.277
  163   2HB   LYS  24          1HB       LYS  24  13.112  18.949  18.949
  164   1HG   LYS  24          2HG       LYS  24  10.744  19.054  19.054
  165   2HG   LYS  24          1HG       LYS  24  11.047  19.731  19.731
  166   1HD   LYS  24          2HD       LYS  24  11.167  21.797  21.797
  167   2HD   LYS  24          1HD       LYS  24   9.640  20.945  20.945
  168   1HE   LYS  24          2HE       LYS  24   8.937  21.879  21.879
  169   2HE   LYS  24          1HE       LYS  24  10.504  21.705  21.705
  170   1HZ   LYS  24          2HZ       LYS  24   9.883  23.749  23.749
  171   2HZ   LYS  24          1HZ       LYS  24   9.865  24.017  24.017
  172   3HZ   LYS  24          3HZ       LYS  24  11.314  23.599  23.599
  173    H    CYS  25           H        CYS  25  12.802  21.703  21.703
  174    HA   CYS  25           HA       CYS  25  14.562  19.904  19.904
  175   1HB   CYS  25          2HB       CYS  25  12.324  21.769  21.769
  176   2HB   CYS  25          1HB       CYS  25  13.046  20.720  20.720
  177   1HN   NH2  26          1HT       CYS  25  14.121  17.889  17.889
  178   2HN   NH2  26          2HT       CYS  25  12.663  17.045  17.045

  Start of MODEL    2
    1   1H    CYS   1          2H        CYS   1  14.270  27.513  27.513
    2   2H    CYS   1          1H        CYS   1  15.934  27.843  27.843
    3   3H    CYS   1          3H        CYS   1  14.965  28.680  28.680
    4    HA   CYS   1           HA       CYS   1  16.244  27.013  27.013
    5   1HB   CYS   1          2HB       CYS   1  15.833  24.629  24.629
    6   2HB   CYS   1          1HB       CYS   1  16.595  25.503  25.503
    7    H    LYS   2           H        LYS   2  14.949  24.947  24.947
    8    HA   LYS   2           HA       LYS   2  12.310  26.088  26.088
    9   1HB   LYS   2          2HB       LYS   2  14.657  25.102  25.102
   10   2HB   LYS   2          1HB       LYS   2  13.066  24.805  24.805
   11   1HG   LYS   2          2HG       LYS   2  13.984  27.553  27.553
   12   2HG   LYS   2          1HG       LYS   2  14.162  27.003  27.003
   13   1HD   LYS   2          2HD       LYS   2  12.009  27.539  27.539
   14   2HD   LYS   2          1HD       LYS   2  11.415  26.518  26.518
   15   1HE   LYS   2          2HE       LYS   2  11.880  28.391  28.391
   16   2HE   LYS   2          1HE       LYS   2  12.324  29.409  29.409
   17   1HZ   LYS   2          2HZ       LYS   2  10.125  29.071  29.071
   18   2HZ   LYS   2          1HZ       LYS   2   9.701  28.098  28.098
   19   3HZ   LYS   2          3HZ       LYS   2  10.043  29.745  29.745
   20    H    GLY   3           H        GLY   3  10.717  24.734  24.734
   21   1HA   GLY   3          2HA       GLY   3  10.689  22.101  22.101
   22   2HA   GLY   3          1HA       GLY   3   9.300  22.952  22.952
   23    H    LYS   4           H        LYS   4   9.224  20.472  20.472
   24    HA   LYS   4           HA       LYS   4  10.661  19.366  19.366
   25   1HB   LYS   4          2HB       LYS   4   8.669  17.824  17.824
   26   2HB   LYS   4          1HB       LYS   4   9.297  17.947  17.947
   27   1HG   LYS   4          2HG       LYS   4   7.501  19.552  19.552
   28   2HG   LYS   4          1HG       LYS   4   6.880  19.500  19.500
   29   1HD   LYS   4          2HD       LYS   4   6.311  17.148  17.148
   30   2HD   LYS   4          1HD       LYS   4   7.129  17.024  17.024
   31   1HE   LYS   4          2HE       LYS   4   5.501  18.583  18.583
   32   2HE   LYS   4          1HE       LYS   4   4.703  18.793  18.793
   33   1HZ   LYS   4          3HZ       LYS   4   5.036  16.109  16.109
   34   2HZ   LYS   4          2HZ       LYS   4   3.768  17.116  17.116
   35   3HZ   LYS   4          1HZ       LYS   4   3.885  16.665  16.665
   36    H    GLY   5           H        GLY   5  10.404  19.288  19.288
   37   1HA   GLY   5          2HA       GLY   5   9.796  19.896  19.896
   38   2HA   GLY   5          1HA       GLY   5   8.195  20.252  20.252
   39    H    ALA   6           H        ALA   6  10.645  21.983  21.983
   40    HA   ALA   6           HA       ALA   6   9.693  24.505  24.505
   41   1HB   ALA   6          1HB       ALA   6  11.956  23.908  23.908
   42   2HB   ALA   6          3HB       ALA   6  11.340  25.511  25.511
   43   3HB   ALA   6          2HB       ALA   6  10.309  24.345  24.345
   44    H    LYS   7           H        LYS   7  11.070  26.108  26.108
   45    HA   LYS   7           HA       LYS   7  12.687  25.085  25.085
   46   1HB   LYS   7          2HB       LYS   7  12.010  27.859  27.859
   47   2HB   LYS   7          1HB       LYS   7  13.182  27.670  27.670
   48   1HG   LYS   7          2HG       LYS   7  10.361  26.515  26.515
   49   2HG   LYS   7          1HG       LYS   7  10.807  28.064  28.064
   50   1HD   LYS   7          2HD       LYS   7  12.722  26.558  26.558
   51   2HD   LYS   7          1HD       LYS   7  11.543  25.291  25.291
   52   1HE   LYS   7          2HE       LYS   7  10.984  26.141  26.141
   53   2HE   LYS   7          1HE       LYS   7   9.814  26.916  26.916
   54   1HZ   LYS   7          2HZ       LYS   7  11.314  28.840  28.840
   55   2HZ   LYS   7          1HZ       LYS   7  12.340  28.087  28.087
   56   3HZ   LYS   7          3HZ       LYS   7  10.761  28.521  28.521
   57    H    CYS   8           H        CYS   8  14.311  23.917  23.917
   58    HA   CYS   8           HA       CYS   8  16.212  25.215  25.215
   59   1HB   CYS   8          2HB       CYS   8  16.994  23.156  23.156
   60   2HB   CYS   8          1HB       CYS   8  15.393  22.752  22.752
   61    H    SER   9           H        SER   9  18.593  24.132  24.132
   62    HA   SER   9           HA       SER   9  19.179  24.726  24.726
   63   1HB   SER   9          2HB       SER   9  21.034  26.490  26.490
   64   2HB   SER   9          1HB       SER   9  19.713  26.966  26.966
   65    HG   SER   9           HG       SER   9  19.677  27.809  27.809
   66    H    ARG  10           H        ARG  10  21.089  23.890  23.890
   67    HA   ARG  10           HA       ARG  10  22.283  21.816  21.816
   68   1HB   ARG  10          2HB       ARG  10  23.370  23.246  23.246
   69   2HB   ARG  10          1HB       ARG  10  23.979  21.723  21.723
   70   1HG   ARG  10          2HG       ARG  10  21.734  20.692  20.692
   71   2HG   ARG  10          1HG       ARG  10  21.141  22.211  22.211
   72   1HD   ARG  10          2HD       ARG  10  23.261  21.923  21.923
   73   2HD   ARG  10          1HD       ARG  10  23.024  20.224  20.224
   74    HE   ARG  10           HE       ARG  10  20.516  21.457  21.457
   75   1HH1  ARG  10          2HH1      ARG  10  23.473  20.257  20.257
   76   2HH1  ARG  10          1HH1      ARG  10  22.755  19.876  19.876
   77   1HH2  ARG  10          1HH2      ARG  10  19.584  20.986  20.986
   78   2HH2  ARG  10          2HH2      ARG  10  20.518  20.299  20.299
   79    H    LEU  11           H        LEU  11  22.973  25.153  25.153
   80    HA   LEU  11           HA       LEU  11  25.534  24.992  24.992
   81   1HB   LEU  11          2HB       LEU  11  25.781  27.386  27.386
   82   2HB   LEU  11          1HB       LEU  11  25.541  26.361  26.361
   83    HG   LEU  11           HG       LEU  11  22.982  27.406  27.406
   84   1HD1  LEU  11          2HD1      LEU  11  24.974  29.336  29.336
   85   2HD1  LEU  11          1HD1      LEU  11  23.286  29.691  29.691
   86   3HD1  LEU  11          3HD1      LEU  11  24.393  29.379  29.379
   87   1HD2  LEU  11          1HD2      LEU  11  23.175  26.184  26.184
   88   2HD2  LEU  11          3HD2      LEU  11  22.458  27.775  27.775
   89   3HD2  LEU  11          2HD2      LEU  11  24.134  27.516  27.516
   90    H    MET  12           H        MET  12  22.312  25.441  25.441
   91    HA   MET  12           HA       MET  12  22.873  26.430  26.430
   92   1HB   MET  12          2HB       MET  12  21.595  28.016  28.016
   93   2HB   MET  12          1HB       MET  12  20.498  27.817  27.817
   94   1HG   MET  12          2HG       MET  12  23.312  28.899  28.899
   95   2HG   MET  12          1HG       MET  12  21.844  29.815  29.815
   96   1HE   MET  12          3HE       MET  12  20.013  28.798  28.798
   97   2HE   MET  12          2HE       MET  12  20.591  29.126  29.126
   98   3HE   MET  12          1HE       MET  12  20.746  30.372  30.372
   99    H    TYR  13           H        TYR  13  22.441  24.464  24.464
  100    HA   TYR  13           HA       TYR  13  19.909  23.060  23.060
  101   1HB   TYR  13          2HB       TYR  13  21.787  22.284  22.284
  102   2HB   TYR  13          1HB       TYR  13  20.814  21.245  21.245
  103    HD1  TYR  13           HD1      TYR  13  21.640  20.571  20.571
  104    HD2  TYR  13           HD2      TYR  13  23.959  23.106  23.106
  105    HE1  TYR  13           HE1      TYR  13  23.613  20.147  20.147
  106    HE2  TYR  13           HE2      TYR  13  25.929  22.679  22.679
  107    HH   TYR  13           HH       TYR  13  25.735  20.662  20.662
  108    H    ASP  14           H        ASP  14  19.011  25.240  25.240
  109    HA   ASP  14           HA       ASP  14  18.820  26.218  26.218
  110   1HB   ASP  14          2HB       ASP  14  17.797  27.004  27.004
  111   2HB   ASP  14          1HB       ASP  14  16.415  26.200  26.200
  112    H    CYS  15           H        CYS  15  17.328  23.455  23.455
  113    HA   CYS  15           HA       CYS  15  15.117  22.973  22.973
  114   1HB   CYS  15          2HB       CYS  15  17.009  20.740  20.740
  115   2HB   CYS  15          1HB       CYS  15  15.267  20.744  20.744
  116    H    CYS  16           H        CYS  16  14.721  22.318  22.318
  117    HA   CYS  16           HA       CYS  16  16.542  22.671  22.671
  118   1HB   CYS  16          2HB       CYS  16  14.041  20.970  20.970
  119   2HB   CYS  16          1HB       CYS  16  14.775  21.723  21.723
  120    H    THR  17           H        THR  17  15.396  19.738  19.738
  121    HA   THR  17           HA       THR  17  17.479  18.161  18.161
  122    HB   THR  17           HB       THR  17  15.030  17.426  17.426
  123    HG1  THR  17           HG1      THR  17  15.554  15.284  15.284
  124   1HG2  THR  17          3HG2      THR  17  14.574  18.022  18.022
  125   2HG2  THR  17          2HG2      THR  17  15.264  16.436  16.436
  126   3HG2  THR  17          1HG2      THR  17  13.823  16.590  16.590
  127    H    GLY  18           H        GLY  18  18.101  19.832  19.832
  128   1HA   GLY  18          2HA       GLY  18  19.162  19.922  19.922
  129   2HA   GLY  18          1HA       GLY  18  20.092  18.612  18.612
  130    H    SER  19           H        SER  19  16.768  18.764  18.764
  131    HA   SER  19           HA       SER  19  16.908  16.231  16.231
  132   1HB   SER  19          2HB       SER  19  14.874  17.983  17.983
  133   2HB   SER  19          1HB       SER  19  14.432  17.516  17.516
  134    HG   SER  19           HG       SER  19  14.063  16.029  16.029
  135    H    CYS  20           H        CYS  20  17.425  19.391  19.391
  136    HA   CYS  20           HA       CYS  20  16.572  20.130  20.130
  137   1HB   CYS  20          2HB       CYS  20  18.542  21.047  21.047
  138   2HB   CYS  20          1HB       CYS  20  19.541  19.866  19.866
  139    H    ARG  21           H        ARG  21  16.089  19.350  19.350
  140    HA   ARG  21           HA       ARG  21  17.698  17.152  17.152
  141   1HB   ARG  21          2HB       ARG  21  15.224  16.683  16.683
  142   2HB   ARG  21          1HB       ARG  21  14.740  17.578  17.578
  143   1HG   ARG  21          2HG       ARG  21  16.112  16.022  16.022
  144   2HG   ARG  21          1HG       ARG  21  16.538  15.120  15.120
  145   1HD   ARG  21          2HD       ARG  21  14.086  14.683  14.683
  146   2HD   ARG  21          1HD       ARG  21  13.731  15.491  15.491
  147    HE   ARG  21           HE       ARG  21  15.688  13.509  13.509
  148   1HH1  ARG  21          2HH1      ARG  21  12.392  13.764  13.764
  149   2HH1  ARG  21          1HH1      ARG  21  11.947  12.227  12.227
  150   1HH2  ARG  21          1HH2      ARG  21  15.146  11.565  11.565
  151   2HH2  ARG  21          2HH2      ARG  21  13.527  10.964  10.964
  152    H    SER  22           H        SER  22  18.772  19.197  19.197
  153    HA   SER  22           HA       SER  22  19.467  20.820  20.820
  154   1HB   SER  22          2HB       SER  22  18.204  18.688  18.688
  155   2HB   SER  22          1HB       SER  22  19.100  20.055  20.055
  156    HG   SER  22           HG       SER  22  20.892  19.409  19.409
  157    H    GLY  23           H        GLY  23  16.952  21.264  21.264
  158   1HA   GLY  23          2HA       GLY  23  16.050  23.647  23.647
  159   2HA   GLY  23          1HA       GLY  23  15.414  22.756  22.756
  160    H    LYS  24           H        LYS  24  14.951  20.422  20.422
  161    HA   LYS  24           HA       LYS  24  12.505  21.588  21.588
  162   1HB   LYS  24          2HB       LYS  24  12.758  19.354  19.354
  163   2HB   LYS  24          1HB       LYS  24  11.813  18.943  18.943
  164   1HG   LYS  24          2HG       LYS  24  10.608  21.244  21.244
  165   2HG   LYS  24          1HG       LYS  24  11.311  21.151  21.151
  166   1HD   LYS  24          2HD       LYS  24  10.076  19.216  19.216
  167   2HD   LYS  24          1HD       LYS  24   9.781  18.770  18.770
  168   1HE   LYS  24          2HE       LYS  24   8.592  21.240  21.240
  169   2HE   LYS  24          1HE       LYS  24   7.741  19.719  19.719
  170   1HZ   LYS  24          2HZ       LYS  24   8.890  20.537  20.537
  171   2HZ   LYS  24          1HZ       LYS  24   7.954  21.796  21.796
  172   3HZ   LYS  24          3HZ       LYS  24   7.258  20.268  20.268
  173    H    CYS  25           H        CYS  25  12.682  21.371  21.371
  174    HA   CYS  25           HA       CYS  25  14.710  19.775  19.775
  175   1HB   CYS  25          2HB       CYS  25  12.293  21.246  21.246
  176   2HB   CYS  25          1HB       CYS  25  13.302  20.361  20.361
  177   1HN   NH2  26          1HT       CYS  25  14.309  17.585  17.585
  178   2HN   NH2  26          2HT       CYS  25  13.131  16.592  16.592

  Start of MODEL    3
    1   1H    CYS   1          2H        CYS   1  14.270  27.513  27.513
    2   2H    CYS   1          1H        CYS   1  15.934  27.843  27.843
    3   3H    CYS   1          3H        CYS   1  14.965  28.680  28.680
    4    HA   CYS   1           HA       CYS   1  16.244  27.013  27.013
    5   1HB   CYS   1          2HB       CYS   1  15.833  24.629  24.629
    6   2HB   CYS   1          1HB       CYS   1  16.595  25.503  25.503
    7    H    LYS   2           H        LYS   2  14.949  24.947  24.947
    8    HA   LYS   2           HA       LYS   2  12.310  26.088  26.088
    9   1HB   LYS   2          2HB       LYS   2  14.657  25.102  25.102
   10   2HB   LYS   2          1HB       LYS   2  13.066  24.805  24.805
   11   1HG   LYS   2          2HG       LYS   2  13.984  27.553  27.553
   12   2HG   LYS   2          1HG       LYS   2  14.162  27.003  27.003
   13   1HD   LYS   2          2HD       LYS   2  12.009  27.539  27.539
   14   2HD   LYS   2          1HD       LYS   2  11.415  26.518  26.518
   15   1HE   LYS   2          2HE       LYS   2  11.880  28.391  28.391
   16   2HE   LYS   2          1HE       LYS   2  12.324  29.409  29.409
   17   1HZ   LYS   2          2HZ       LYS   2  10.125  29.071  29.071
   18   2HZ   LYS   2          1HZ       LYS   2   9.701  28.098  28.098
   19   3HZ   LYS   2          3HZ       LYS   2  10.043  29.745  29.745
   20    H    GLY   3           H        GLY   3  10.717  24.734  24.734
   21   1HA   GLY   3          2HA       GLY   3  10.689  22.101  22.101
   22   2HA   GLY   3          1HA       GLY   3   9.300  22.952  22.952
   23    H    LYS   4           H        LYS   4   9.224  20.472  20.472
   24    HA   LYS   4           HA       LYS   4  10.661  19.366  19.366
   25   1HB   LYS   4          2HB       LYS   4   8.669  17.824  17.824
   26   2HB   LYS   4          1HB       LYS   4   9.297  17.947  17.947
   27   1HG   LYS   4          2HG       LYS   4   7.501  19.552  19.552
   28   2HG   LYS   4          1HG       LYS   4   6.880  19.500  19.500
   29   1HD   LYS   4          2HD       LYS   4   6.311  17.148  17.148
   30   2HD   LYS   4          1HD       LYS   4   7.129  17.024  17.024
   31   1HE   LYS   4          2HE       LYS   4   5.501  18.583  18.583
   32   2HE   LYS   4          1HE       LYS   4   4.703  18.793  18.793
   33   1HZ   LYS   4          3HZ       LYS   4   5.036  16.109  16.109
   34   2HZ   LYS   4          2HZ       LYS   4   3.768  17.116  17.116
   35   3HZ   LYS   4          1HZ       LYS   4   3.885  16.665  16.665
   36    H    GLY   5           H        GLY   5  10.404  19.288  19.288
   37   1HA   GLY   5          2HA       GLY   5   9.796  19.896  19.896
   38   2HA   GLY   5          1HA       GLY   5   8.195  20.252  20.252
   39    H    ALA   6           H        ALA   6  10.645  21.983  21.983
   40    HA   ALA   6           HA       ALA   6   9.693  24.505  24.505
   41   1HB   ALA   6          1HB       ALA   6  11.956  23.908  23.908
   42   2HB   ALA   6          3HB       ALA   6  11.340  25.511  25.511
   43   3HB   ALA   6          2HB       ALA   6  10.309  24.345  24.345
   44    H    LYS   7           H        LYS   7  11.070  26.108  26.108
   45    HA   LYS   7           HA       LYS   7  12.687  25.085  25.085
   46   1HB   LYS   7          2HB       LYS   7  12.010  27.859  27.859
   47   2HB   LYS   7          1HB       LYS   7  13.182  27.670  27.670
   48   1HG   LYS   7          2HG       LYS   7  10.361  26.515  26.515
   49   2HG   LYS   7          1HG       LYS   7  10.807  28.064  28.064
   50   1HD   LYS   7          2HD       LYS   7  12.722  26.558  26.558
   51   2HD   LYS   7          1HD       LYS   7  11.543  25.291  25.291
   52   1HE   LYS   7          2HE       LYS   7  10.984  26.141  26.141
   53   2HE   LYS   7          1HE       LYS   7   9.814  26.916  26.916
   54   1HZ   LYS   7          2HZ       LYS   7  11.314  28.840  28.840
   55   2HZ   LYS   7          1HZ       LYS   7  12.340  28.087  28.087
   56   3HZ   LYS   7          3HZ       LYS   7  10.761  28.521  28.521
   57    H    CYS   8           H        CYS   8  14.311  23.917  23.917
   58    HA   CYS   8           HA       CYS   8  16.212  25.215  25.215
   59   1HB   CYS   8          2HB       CYS   8  16.994  23.156  23.156
   60   2HB   CYS   8          1HB       CYS   8  15.393  22.752  22.752
   61    H    SER   9           H        SER   9  18.593  24.132  24.132
   62    HA   SER   9           HA       SER   9  19.179  24.726  24.726
   63   1HB   SER   9          2HB       SER   9  21.034  26.490  26.490
   64   2HB   SER   9          1HB       SER   9  19.713  26.966  26.966
   65    HG   SER   9           HG       SER   9  19.677  27.809  27.809
   66    H    ARG  10           H        ARG  10  21.089  23.890  23.890
   67    HA   ARG  10           HA       ARG  10  22.283  21.816  21.816
   68   1HB   ARG  10          2HB       ARG  10  23.370  23.246  23.246
   69   2HB   ARG  10          1HB       ARG  10  23.979  21.723  21.723
   70   1HG   ARG  10          2HG       ARG  10  21.734  20.692  20.692
   71   2HG   ARG  10          1HG       ARG  10  21.141  22.211  22.211
   72   1HD   ARG  10          2HD       ARG  10  23.261  21.923  21.923
   73   2HD   ARG  10          1HD       ARG  10  23.024  20.224  20.224
   74    HE   ARG  10           HE       ARG  10  20.516  21.457  21.457
   75   1HH1  ARG  10          2HH1      ARG  10  23.473  20.257  20.257
   76   2HH1  ARG  10          1HH1      ARG  10  22.755  19.876  19.876
   77   1HH2  ARG  10          1HH2      ARG  10  19.584  20.986  20.986
   78   2HH2  ARG  10          2HH2      ARG  10  20.518  20.299  20.299
   79    H    LEU  11           H        LEU  11  22.973  25.153  25.153
   80    HA   LEU  11           HA       LEU  11  25.534  24.992  24.992
   81   1HB   LEU  11          2HB       LEU  11  25.781  27.386  27.386
   82   2HB   LEU  11          1HB       LEU  11  25.541  26.361  26.361
   83    HG   LEU  11           HG       LEU  11  22.982  27.406  27.406
   84   1HD1  LEU  11          2HD1      LEU  11  24.974  29.336  29.336
   85   2HD1  LEU  11          1HD1      LEU  11  23.286  29.691  29.691
   86   3HD1  LEU  11          3HD1      LEU  11  24.393  29.379  29.379
   87   1HD2  LEU  11          1HD2      LEU  11  23.175  26.184  26.184
   88   2HD2  LEU  11          3HD2      LEU  11  22.458  27.775  27.775
   89   3HD2  LEU  11          2HD2      LEU  11  24.134  27.516  27.516
   90    H    MET  12           H        MET  12  22.312  25.441  25.441
   91    HA   MET  12           HA       MET  12  22.873  26.430  26.430
   92   1HB   MET  12          2HB       MET  12  21.595  28.016  28.016
   93   2HB   MET  12          1HB       MET  12  20.498  27.817  27.817
   94   1HG   MET  12          2HG       MET  12  23.312  28.899  28.899
   95   2HG   MET  12          1HG       MET  12  21.844  29.815  29.815
   96   1HE   MET  12          3HE       MET  12  20.013  28.798  28.798
   97   2HE   MET  12          2HE       MET  12  20.591  29.126  29.126
   98   3HE   MET  12          1HE       MET  12  20.746  30.372  30.372
   99    H    TYR  13           H        TYR  13  22.441  24.464  24.464
  100    HA   TYR  13           HA       TYR  13  19.909  23.060  23.060
  101   1HB   TYR  13          2HB       TYR  13  21.787  22.284  22.284
  102   2HB   TYR  13          1HB       TYR  13  20.814  21.245  21.245
  103    HD1  TYR  13           HD1      TYR  13  21.640  20.571  20.571
  104    HD2  TYR  13           HD2      TYR  13  23.959  23.106  23.106
  105    HE1  TYR  13           HE1      TYR  13  23.613  20.147  20.147
  106    HE2  TYR  13           HE2      TYR  13  25.929  22.679  22.679
  107    HH   TYR  13           HH       TYR  13  25.735  20.662  20.662
  108    H    ASP  14           H        ASP  14  19.011  25.240  25.240
  109    HA   ASP  14           HA       ASP  14  18.820  26.218  26.218
  110   1HB   ASP  14          2HB       ASP  14  17.797  27.004  27.004
  111   2HB   ASP  14          1HB       ASP  14  16.415  26.200  26.200
  112    H    CYS  15           H        CYS  15  17.328  23.455  23.455
  113    HA   CYS  15           HA       CYS  15  15.117  22.973  22.973
  114   1HB   CYS  15          2HB       CYS  15  17.009  20.740  20.740
  115   2HB   CYS  15          1HB       CYS  15  15.267  20.744  20.744
  116    H    CYS  16           H        CYS  16  14.721  22.318  22.318
  117    HA   CYS  16           HA       CYS  16  16.542  22.671  22.671
  118   1HB   CYS  16          2HB       CYS  16  14.041  20.970  20.970
  119   2HB   CYS  16          1HB       CYS  16  14.775  21.723  21.723
  120    H    THR  17           H        THR  17  15.396  19.738  19.738
  121    HA   THR  17           HA       THR  17  17.479  18.161  18.161
  122    HB   THR  17           HB       THR  17  15.030  17.426  17.426
  123    HG1  THR  17           HG1      THR  17  15.554  15.284  15.284
  124   1HG2  THR  17          3HG2      THR  17  14.574  18.022  18.022
  125   2HG2  THR  17          2HG2      THR  17  15.264  16.436  16.436
  126   3HG2  THR  17          1HG2      THR  17  13.823  16.590  16.590
  127    H    GLY  18           H        GLY  18  18.101  19.832  19.832
  128   1HA   GLY  18          2HA       GLY  18  19.162  19.922  19.922
  129   2HA   GLY  18          1HA       GLY  18  20.092  18.612  18.612
  130    H    SER  19           H        SER  19  16.768  18.764  18.764
  131    HA   SER  19           HA       SER  19  16.908  16.231  16.231
  132   1HB   SER  19          2HB       SER  19  14.874  17.983  17.983
  133   2HB   SER  19          1HB       SER  19  14.432  17.516  17.516
  134    HG   SER  19           HG       SER  19  14.063  16.029  16.029
  135    H    CYS  20           H        CYS  20  17.425  19.391  19.391
  136    HA   CYS  20           HA       CYS  20  16.572  20.130  20.130
  137   1HB   CYS  20          2HB       CYS  20  18.542  21.047  21.047
  138   2HB   CYS  20          1HB       CYS  20  19.541  19.866  19.866
  139    H    ARG  21           H        ARG  21  16.089  19.350  19.350
  140    HA   ARG  21           HA       ARG  21  17.698  17.152  17.152
  141   1HB   ARG  21          2HB       ARG  21  15.224  16.683  16.683
  142   2HB   ARG  21          1HB       ARG  21  14.740  17.578  17.578
  143   1HG   ARG  21          2HG       ARG  21  16.112  16.022  16.022
  144   2HG   ARG  21          1HG       ARG  21  16.538  15.120  15.120
  145   1HD   ARG  21          2HD       ARG  21  14.086  14.683  14.683
  146   2HD   ARG  21          1HD       ARG  21  13.731  15.491  15.491
  147    HE   ARG  21           HE       ARG  21  15.688  13.509  13.509
  148   1HH1  ARG  21          2HH1      ARG  21  12.392  13.764  13.764
  149   2HH1  ARG  21          1HH1      ARG  21  11.947  12.227  12.227
  150   1HH2  ARG  21          1HH2      ARG  21  15.146  11.565  11.565
  151   2HH2  ARG  21          2HH2      ARG  21  13.527  10.964  10.964
  152    H    SER  22           H        SER  22  18.772  19.197  19.197
  153    HA   SER  22           HA       SER  22  19.467  20.820  20.820
  154   1HB   SER  22          2HB       SER  22  18.204  18.688  18.688
  155   2HB   SER  22          1HB       SER  22  19.100  20.055  20.055
  156    HG   SER  22           HG       SER  22  20.892  19.409  19.409
  157    H    GLY  23           H        GLY  23  16.952  21.264  21.264
  158   1HA   GLY  23          2HA       GLY  23  16.050  23.647  23.647
  159   2HA   GLY  23          1HA       GLY  23  15.414  22.756  22.756
  160    H    LYS  24           H        LYS  24  14.951  20.422  20.422
  161    HA   LYS  24           HA       LYS  24  12.505  21.588  21.588
  162   1HB   LYS  24          2HB       LYS  24  12.758  19.354  19.354
  163   2HB   LYS  24          1HB       LYS  24  11.813  18.943  18.943
  164   1HG   LYS  24          2HG       LYS  24  10.608  21.244  21.244
  165   2HG   LYS  24          1HG       LYS  24  11.311  21.151  21.151
  166   1HD   LYS  24          2HD       LYS  24  10.076  19.216  19.216
  167   2HD   LYS  24          1HD       LYS  24   9.781  18.770  18.770
  168   1HE   LYS  24          2HE       LYS  24   8.592  21.240  21.240
  169   2HE   LYS  24          1HE       LYS  24   7.741  19.719  19.719
  170   1HZ   LYS  24          2HZ       LYS  24   8.890  20.537  20.537
  171   2HZ   LYS  24          1HZ       LYS  24   7.954  21.796  21.796
  172   3HZ   LYS  24          3HZ       LYS  24   7.258  20.268  20.268
  173    H    CYS  25           H        CYS  25  12.682  21.371  21.371
  174    HA   CYS  25           HA       CYS  25  14.710  19.775  19.775
  175   1HB   CYS  25          2HB       CYS  25  12.293  21.246  21.246
  176   2HB   CYS  25          1HB       CYS  25  13.302  20.361  20.361
  177   1HN   NH2  26          1HT       CYS  25  14.309  17.585  17.585
  178   2HN   NH2  26          2HT       CYS  25  13.131  16.592  16.592

  Start of MODEL    4
    1   1H    CYS   1          2H        CYS   1  13.916  27.505  27.505
    2   2H    CYS   1          1H        CYS   1  15.558  27.888  27.888
    3   3H    CYS   1          3H        CYS   1  14.646  28.677  28.677
    4    HA   CYS   1           HA       CYS   1  16.018  27.057  27.057
    5   1HB   CYS   1          2HB       CYS   1  15.714  24.656  24.656
    6   2HB   CYS   1          1HB       CYS   1  16.431  25.612  25.612
    7    H    LYS   2           H        LYS   2  15.007  24.999  24.999
    8    HA   LYS   2           HA       LYS   2  12.341  25.923  25.923
    9   1HB   LYS   2          2HB       LYS   2  14.783  24.838  24.838
   10   2HB   LYS   2          1HB       LYS   2  13.246  24.379  24.379
   11   1HG   LYS   2          2HG       LYS   2  12.614  26.743  26.743
   12   2HG   LYS   2          1HG       LYS   2  14.071  27.252  27.252
   13   1HD   LYS   2          2HD       LYS   2  15.203  25.733  25.733
   14   2HD   LYS   2          1HD       LYS   2  13.705  26.139  26.139
   15   1HE   LYS   2          2HE       LYS   2  15.370  28.319  28.319
   16   2HE   LYS   2          1HE       LYS   2  15.737  27.749  27.749
   17   1HZ   LYS   2          2HZ       LYS   2  13.415  28.211  28.211
   18   2HZ   LYS   2          1HZ       LYS   2  13.173  28.889  28.889
   19   3HZ   LYS   2          3HZ       LYS   2  14.280  29.598  29.598
   20    H    GLY   3           H        GLY   3  10.728  24.579  24.579
   21   1HA   GLY   3          2HA       GLY   3  10.720  21.993  21.993
   22   2HA   GLY   3          1HA       GLY   3   9.311  22.855  22.855
   23    H    LYS   4           H        LYS   4   9.222  20.316  20.316
   24    HA   LYS   4           HA       LYS   4  10.555  19.282  19.282
   25   1HB   LYS   4          2HB       LYS   4   7.888  18.624  18.624
   26   2HB   LYS   4          1HB       LYS   4   8.459  17.727  17.727
   27   1HG   LYS   4          2HG       LYS   4  10.139  18.071  18.071
   28   2HG   LYS   4          1HG       LYS   4   9.030  16.735  16.735
   29   1HD   LYS   4          2HD       LYS   4  10.313  16.339  16.339
   30   2HD   LYS   4          1HD       LYS   4  11.551  17.367  17.367
   31   1HE   LYS   4          2HE       LYS   4  11.880  15.856  15.856
   32   2HE   LYS   4          1HE       LYS   4  10.467  14.904  14.904
   33   1HZ   LYS   4          1HZ       LYS   4  12.618  15.252  15.252
   34   2HZ   LYS   4          3HZ       LYS   4  12.827  14.148  14.148
   35   3HZ   LYS   4          2HZ       LYS   4  11.527  13.965  13.965
   36    H    GLY   5           H        GLY   5  10.296  19.497  19.497
   37   1HA   GLY   5          2HA       GLY   5   9.362  20.024  20.024
   38   2HA   GLY   5          1HA       GLY   5   7.839  20.386  20.386
   39    H    ALA   6           H        ALA   6  10.601  21.954  21.954
   40    HA   ALA   6           HA       ALA   6   9.595  24.566  24.566
   41   1HB   ALA   6          2HB       ALA   6  11.887  23.799  23.799
   42   2HB   ALA   6          1HB       ALA   6  11.369  25.453  25.453
   43   3HB   ALA   6          3HB       ALA   6  10.290  24.328  24.328
   44    H    LYS   7           H        LYS   7  11.043  26.158  26.158
   45    HA   LYS   7           HA       LYS   7  12.563  25.135  25.135
   46   1HB   LYS   7          2HB       LYS   7  11.123  27.172  27.172
   47   2HB   LYS   7          1HB       LYS   7  12.204  27.996  27.996
   48   1HG   LYS   7          2HG       LYS   7  13.796  28.372  28.372
   49   2HG   LYS   7          1HG       LYS   7  13.608  26.784  26.784
   50   1HD   LYS   7          2HD       LYS   7  11.564  27.500  27.500
   51   2HD   LYS   7          1HD       LYS   7  11.639  29.073  29.073
   52   1HE   LYS   7          2HE       LYS   7  13.849  29.495  29.495
   53   2HE   LYS   7          1HE       LYS   7  13.725  27.936  27.936
   54   1HZ   LYS   7          2HZ       LYS   7  11.681  28.689  28.689
   55   2HZ   LYS   7          1HZ       LYS   7  11.839  30.201  30.201
   56   3HZ   LYS   7          3HZ       LYS   7  12.990  29.699  29.699
   57    H    CYS   8           H        CYS   8  14.152  23.972  23.972
   58    HA   CYS   8           HA       CYS   8  16.093  25.374  25.374
   59   1HB   CYS   8          2HB       CYS   8  16.887  23.310  23.310
   60   2HB   CYS   8          1HB       CYS   8  15.290  22.877  22.877
   61    H    SER   9           H        SER   9  18.460  24.144  24.144
   62    HA   SER   9           HA       SER   9  18.910  24.813  24.813
   63   1HB   SER   9          2HB       SER   9  20.912  26.450  26.450
   64   2HB   SER   9          1HB       SER   9  19.589  26.997  26.997
   65    HG   SER   9           HG       SER   9  19.513  27.881  27.881
   66    H    ARG  10           H        ARG  10  20.664  23.826  23.826
   67    HA   ARG  10           HA       ARG  10  21.879  21.703  21.703
   68   1HB   ARG  10          2HB       ARG  10  23.475  21.588  21.588
   69   2HB   ARG  10          1HB       ARG  10  21.794  21.568  21.568
   70   1HG   ARG  10          2HG       ARG  10  22.022  23.430  23.430
   71   2HG   ARG  10          1HG       ARG  10  22.668  24.348  24.348
   72   1HD   ARG  10          2HD       ARG  10  24.932  23.306  23.306
   73   2HD   ARG  10          1HD       ARG  10  24.241  22.552  22.552
   74    HE   ARG  10           HE       ARG  10  23.671  25.346  25.346
   75   1HH1  ARG  10          1HH1      ARG  10  27.234  24.146  24.146
   76   2HH1  ARG  10          2HH1      ARG  10  26.304  23.112  23.112
   77   1HH2  ARG  10          1HH2      ARG  10  24.828  26.675  26.675
   78   2HH2  ARG  10          2HH2      ARG  10  26.386  26.196  26.196
   79    H    LEU  11           H        LEU  11  22.717  25.012  25.012
   80    HA   LEU  11           HA       LEU  11  25.367  24.666  24.666
   81   1HB   LEU  11          2HB       LEU  11  24.315  26.448  26.448
   82   2HB   LEU  11          1HB       LEU  11  24.642  27.451  27.451
   83    HG   LEU  11           HG       LEU  11  26.594  27.409  27.409
   84   1HD1  LEU  11          2HD1      LEU  11  26.925  27.386  27.386
   85   2HD1  LEU  11          1HD1      LEU  11  27.301  25.674  25.674
   86   3HD1  LEU  11          3HD1      LEU  11  28.307  26.861  26.861
   87   1HD2  LEU  11          1HD2      LEU  11  26.137  25.216  25.216
   88   2HD2  LEU  11          3HD2      LEU  11  27.802  25.362  25.362
   89   3HD2  LEU  11          2HD2      LEU  11  26.676  24.381  24.381
   90    H    MET  12           H        MET  12  22.212  25.383  25.383
   91    HA   MET  12           HA       MET  12  23.043  26.210  26.210
   92   1HB   MET  12          2HB       MET  12  21.413  27.820  27.820
   93   2HB   MET  12          1HB       MET  12  20.850  27.822  27.822
   94   1HG   MET  12          2HG       MET  12  23.633  28.556  28.556
   95   2HG   MET  12          1HG       MET  12  22.395  29.680  29.680
   96   1HE   MET  12          3HE       MET  12  21.201  29.297  29.297
   97   2HE   MET  12          2HE       MET  12  22.390  29.801  29.801
   98   3HE   MET  12          1HE       MET  12  22.226  30.723  30.723
   99    H    TYR  13           H        TYR  13  22.548  24.279  24.279
  100    HA   TYR  13           HA       TYR  13  19.934  22.985  22.985
  101   1HB   TYR  13          2HB       TYR  13  21.884  22.051  22.051
  102   2HB   TYR  13          1HB       TYR  13  20.888  21.095  21.095
  103    HD1  TYR  13           HD2      TYR  13  24.011  23.047  23.047
  104    HD2  TYR  13           HD1      TYR  13  21.728  20.439  20.439
  105    HE1  TYR  13           HE2      TYR  13  25.956  22.719  22.719
  106    HE2  TYR  13           HE1      TYR  13  23.675  20.113  20.113
  107    HH   TYR  13           HH       TYR  13  25.772  20.689  20.689
  108    H    ASP  14           H        ASP  14  19.170  25.176  25.176
  109    HA   ASP  14           HA       ASP  14  19.181  26.032  26.032
  110   1HB   ASP  14          2HB       ASP  14  18.359  27.227  27.227
  111   2HB   ASP  14          1HB       ASP  14  16.908  26.292  26.292
  112    H    CYS  15           H        CYS  15  17.563  23.368  23.368
  113    HA   CYS  15           HA       CYS  15  15.258  23.064  23.064
  114   1HB   CYS  15          2HB       CYS  15  17.064  20.756  20.756
  115   2HB   CYS  15          1HB       CYS  15  15.322  20.788  20.788
  116    H    CYS  16           H        CYS  16  14.765  22.386  22.386
  117    HA   CYS  16           HA       CYS  16  16.464  22.719  22.719
  118   1HB   CYS  16          2HB       CYS  16  14.000  20.979  20.979
  119   2HB   CYS  16          1HB       CYS  16  14.648  21.753  21.753
  120    H    THR  17           H        THR  17  15.449  19.794  19.794
  121    HA   THR  17           HA       THR  17  17.522  18.243  18.243
  122    HB   THR  17           HB       THR  17  15.121  17.024  17.024
  123    HG1  THR  17           HG1      THR  17  15.404  18.233  18.233
  124   1HG2  THR  17          3HG2      THR  17  16.771  16.161  16.161
  125   2HG2  THR  17          2HG2      THR  17  15.395  15.281  15.281
  126   3HG2  THR  17          1HG2      THR  17  16.875  15.399  15.399
  127    H    GLY  18           H        GLY  18  18.207  19.826  19.826
  128   1HA   GLY  18          2HA       GLY  18  19.233  19.844  19.844
  129   2HA   GLY  18          1HA       GLY  18  20.098  18.486  18.486
  130    H    SER  19           H        SER  19  16.768  18.821  18.821
  131    HA   SER  19           HA       SER  19  16.749  16.282  16.282
  132   1HB   SER  19          2HB       SER  19  14.831  18.127  18.127
  133   2HB   SER  19          1HB       SER  19  14.340  17.742  17.742
  134    HG   SER  19           HG       SER  19  13.694  16.190  16.190
  135    H    CYS  20           H        CYS  20  17.433  19.426  19.426
  136    HA   CYS  20           HA       CYS  20  16.573  20.140  20.140
  137   1HB   CYS  20          2HB       CYS  20  18.507  21.094  21.094
  138   2HB   CYS  20          1HB       CYS  20  19.535  19.974  19.974
  139    H    ARG  21           H        ARG  21  16.391  19.550  19.550
  140    HA   ARG  21           HA       ARG  21  17.997  17.308  17.308
  141   1HB   ARG  21          2HB       ARG  21  15.493  16.835  16.835
  142   2HB   ARG  21          1HB       ARG  21  15.070  17.822  17.822
  143   1HG   ARG  21          2HG       ARG  21  16.370  16.312  16.312
  144   2HG   ARG  21          1HG       ARG  21  16.850  15.350  15.350
  145   1HD   ARG  21          2HD       ARG  21  14.380  14.937  14.937
  146   2HD   ARG  21          1HD       ARG  21  14.019  15.723  15.723
  147    HE   ARG  21           HE       ARG  21  15.950  13.751  13.751
  148   1HH1  ARG  21          2HH1      ARG  21  12.717  13.958  13.958
  149   2HH1  ARG  21          1HH1      ARG  21  12.266  12.399  12.399
  150   1HH2  ARG  21          1HH2      ARG  21  15.401  11.772  11.772
  151   2HH2  ARG  21          2HH2      ARG  21  13.807  11.141  11.141
  152    H    SER  22           H        SER  22  19.099  19.401  19.401
  153    HA   SER  22           HA       SER  22  19.864  21.118  21.118
  154   1HB   SER  22          2HB       SER  22  18.749  19.226  19.226
  155   2HB   SER  22          1HB       SER  22  19.995  20.459  20.459
  156    HG   SER  22           HG       SER  22  20.080  18.244  18.244
  157    H    GLY  23           H        GLY  23  17.310  21.487  21.487
  158   1HA   GLY  23          2HA       GLY  23  16.371  23.848  23.848
  159   2HA   GLY  23          1HA       GLY  23  15.817  22.942  22.942
  160    H    LYS  24           H        LYS  24  15.289  20.567  20.567
  161    HA   LYS  24           HA       LYS  24  12.746  21.647  21.647
  162   1HB   LYS  24          2HB       LYS  24  12.498  20.237  20.237
  163   2HB   LYS  24          1HB       LYS  24  13.083  18.869  18.869
  164   1HG   LYS  24          2HG       LYS  24  11.234  19.142  19.142
  165   2HG   LYS  24          1HG       LYS  24  10.663  20.566  20.566
  166   1HD   LYS  24          2HD       LYS  24  10.929  17.892  17.892
  167   2HD   LYS  24          1HD       LYS  24   9.501  18.277  18.277
  168   1HE   LYS  24          2HE       LYS  24   9.228  20.389  20.389
  169   2HE   LYS  24          1HE       LYS  24  10.558  19.841  19.841
  170   1HZ   LYS  24          2HZ       LYS  24   9.129  17.693  17.693
  171   2HZ   LYS  24          1HZ       LYS  24   7.862  18.749  18.749
  172   3HZ   LYS  24          3HZ       LYS  24   8.785  19.026  19.026
  173    H    CYS  25           H        CYS  25  12.719  21.419  21.419
  174    HA   CYS  25           HA       CYS  25  14.714  19.830  19.830
  175   1HB   CYS  25          2HB       CYS  25  12.271  21.342  21.342
  176   2HB   CYS  25          1HB       CYS  25  13.170  20.419  20.419
  177   1HN   NH2  26          1HT       CYS  25  14.377  17.650  17.650
  178   2HN   NH2  26          2HT       CYS  25  13.110  16.681  16.681

  Start of MODEL    5
    1   1H    CYS   1          1H        CYS   1  13.811  27.455  27.455
    2   2H    CYS   1          3H        CYS   1  15.445  27.876  27.876
    3   3H    CYS   1          2H        CYS   1  14.504  28.657  28.657
    4    HA   CYS   1           HA       CYS   1  15.929  27.076  27.076
    5   1HB   CYS   1          2HB       CYS   1  15.662  24.668  24.668
    6   2HB   CYS   1          1HB       CYS   1  16.307  25.599  25.599
    7    H    LYS   2           H        LYS   2  14.910  24.985  24.985
    8    HA   LYS   2           HA       LYS   2  12.260  25.930  25.930
    9   1HB   LYS   2          2HB       LYS   2  14.753  24.970  24.970
   10   2HB   LYS   2          1HB       LYS   2  13.249  24.497  24.497
   11   1HG   LYS   2          2HG       LYS   2  12.533  26.911  26.911
   12   2HG   LYS   2          1HG       LYS   2  14.078  27.344  27.344
   13   1HD   LYS   2          2HD       LYS   2  14.936  25.919  25.919
   14   2HD   LYS   2          1HD       LYS   2  13.381  26.446  26.446
   15   1HE   LYS   2          2HE       LYS   2  14.086  28.591  28.591
   16   2HE   LYS   2          1HE       LYS   2  14.842  28.673  28.673
   17   1HZ   LYS   2          2HZ       LYS   2  16.357  26.951  26.951
   18   2HZ   LYS   2          1HZ       LYS   2  16.053  28.355  28.355
   19   3HZ   LYS   2          3HZ       LYS   2  16.784  28.469  28.469
   20    H    GLY   3           H        GLY   3  10.640  24.635  24.635
   21   1HA   GLY   3          2HA       GLY   3  10.644  22.015  22.015
   22   2HA   GLY   3          1HA       GLY   3   9.242  22.864  22.864
   23    H    LYS   4           H        LYS   4   8.840  20.557  20.557
   24    HA   LYS   4           HA       LYS   4  10.237  19.183  19.183
   25   1HB   LYS   4          2HB       LYS   4   8.174  17.856  17.856
   26   2HB   LYS   4          1HB       LYS   4   8.547  18.136  18.136
   27   1HG   LYS   4          2HG       LYS   4   6.911  20.164  20.164
   28   2HG   LYS   4          1HG       LYS   4   6.395  19.472  19.472
   29   1HD   LYS   4          2HD       LYS   4   5.933  17.293  17.293
   30   2HD   LYS   4          1HD       LYS   4   6.271  18.131  18.131
   31   1HE   LYS   4          2HE       LYS   4   4.129  18.994  18.994
   32   2HE   LYS   4          1HE       LYS   4   3.817  18.066  18.066
   33   1HZ   LYS   4          3HZ       LYS   4   4.823  19.893  19.893
   34   2HZ   LYS   4          2HZ       LYS   4   4.940  20.798  20.798
   35   3HZ   LYS   4          1HZ       LYS   4   3.415  20.346  20.346
   36    H    GLY   5           H        GLY   5  10.295  19.218  19.218
   37   1HA   GLY   5          2HA       GLY   5  10.009  19.850  19.850
   38   2HA   GLY   5          1HA       GLY   5   8.337  20.202  20.202
   39    H    ALA   6           H        ALA   6  10.547  21.931  21.931
   40    HA   ALA   6           HA       ALA   6   9.715  24.472  24.472
   41   1HB   ALA   6          3HB       ALA   6  11.924  23.771  23.771
   42   2HB   ALA   6          2HB       ALA   6  11.357  25.410  25.410
   43   3HB   ALA   6          1HB       ALA   6  10.287  24.228  24.228
   44    H    LYS   7           H        LYS   7  11.016  26.050  26.050
   45    HA   LYS   7           HA       LYS   7  12.677  25.067  25.067
   46   1HB   LYS   7          2HB       LYS   7  11.561  27.659  27.659
   47   2HB   LYS   7          1HB       LYS   7  13.160  27.860  27.860
   48   1HG   LYS   7          2HG       LYS   7  11.670  28.045  28.045
   49   2HG   LYS   7          1HG       LYS   7  12.406  26.462  26.462
   50   1HD   LYS   7          2HD       LYS   7  10.365  25.485  25.485
   51   2HD   LYS   7          1HD       LYS   7   9.640  27.083  27.083
   52   1HE   LYS   7          2HE       LYS   7   9.893  27.057  27.057
   53   2HE   LYS   7          1HE       LYS   7  10.478  25.403  25.403
   54   1HZ   LYS   7          1HZ       LYS   7   8.384  24.826  24.826
   55   2HZ   LYS   7          3HZ       LYS   7   7.823  26.406  26.406
   56   3HZ   LYS   7          2HZ       LYS   7   8.167  25.388  25.388
   57    H    CYS   8           H        CYS   8  14.359  23.932  23.932
   58    HA   CYS   8           HA       CYS   8  16.306  25.239  25.239
   59   1HB   CYS   8          2HB       CYS   8  17.051  23.172  23.172
   60   2HB   CYS   8          1HB       CYS   8  15.421  22.794  22.794
   61    H    SER   9           H        SER   9  18.628  24.111  24.111
   62    HA   SER   9           HA       SER   9  19.249  24.507  24.507
   63   1HB   SER   9          2HB       SER   9  21.014  26.348  26.348
   64   2HB   SER   9          1HB       SER   9  20.155  26.645  26.645
   65    HG   SER   9           HG       SER   9  19.433  27.873  27.873
   66    H    ARG  10           H        ARG  10  21.172  23.584  23.584
   67    HA   ARG  10           HA       ARG  10  22.309  21.637  21.637
   68   1HB   ARG  10          2HB       ARG  10  23.419  22.794  22.794
   69   2HB   ARG  10          1HB       ARG  10  24.037  21.359  21.359
   70   1HG   ARG  10          2HG       ARG  10  21.701  20.346  20.346
   71   2HG   ARG  10          1HG       ARG  10  21.261  21.741  21.741
   72   1HD   ARG  10          2HD       ARG  10  23.700  20.108  20.108
   73   2HD   ARG  10          1HD       ARG  10  22.089  19.585  19.585
   74    HE   ARG  10           HE       ARG  10  22.435  22.364  22.364
   75   1HH1  ARG  10          2HH1      ARG  10  23.377  19.175  19.175
   76   2HH1  ARG  10          1HH1      ARG  10  23.621  19.628  19.628
   77   1HH2  ARG  10          1HH2      ARG  10  22.737  22.961  22.961
   78   2HH2  ARG  10          2HH2      ARG  10  23.253  21.801  21.801
   79    H    LEU  11           H        LEU  11  23.036  24.925  24.925
   80    HA   LEU  11           HA       LEU  11  25.612  24.838  24.838
   81   1HB   LEU  11          2HB       LEU  11  25.000  26.164  26.164
   82   2HB   LEU  11          1HB       LEU  11  24.458  27.380  27.380
   83    HG   LEU  11           HG       LEU  11  26.839  26.984  26.984
   84   1HD1  LEU  11          2HD1      LEU  11  27.421  25.011  25.011
   85   2HD1  LEU  11          1HD1      LEU  11  27.344  26.031  26.031
   86   3HD1  LEU  11          3HD1      LEU  11  28.575  26.315  26.315
   87   1HD2  LEU  11          1HD2      LEU  11  26.515  28.443  28.443
   88   2HD2  LEU  11          3HD2      LEU  11  26.165  29.105  29.105
   89   3HD2  LEU  11          2HD2      LEU  11  27.817  28.714  28.714
   90    H    MET  12           H        MET  12  22.397  25.343  25.343
   91    HA   MET  12           HA       MET  12  23.017  26.569  26.569
   92   1HB   MET  12          2HB       MET  12  20.828  27.576  27.576
   93   2HB   MET  12          1HB       MET  12  21.054  28.112  28.112
   94   1HG   MET  12          2HG       MET  12  23.351  28.886  28.886
   95   2HG   MET  12          1HG       MET  12  23.042  28.439  28.439
   96   1HE   MET  12          2HE       MET  12  20.696  29.391  29.391
   97   2HE   MET  12          1HE       MET  12  20.939  31.097  31.097
   98   3HE   MET  12          3HE       MET  12  22.271  29.986  29.986
   99    H    TYR  13           H        TYR  13  22.700  24.664  24.664
  100    HA   TYR  13           HA       TYR  13  20.298  23.020  23.020
  101   1HB   TYR  13          2HB       TYR  13  22.629  22.857  22.857
  102   2HB   TYR  13          1HB       TYR  13  21.357  21.649  21.649
  103    HD1  TYR  13           HD2      TYR  13  21.036  20.398  20.398
  104    HD2  TYR  13           HD1      TYR  13  24.443  22.847  22.847
  105    HE1  TYR  13           HE2      TYR  13  22.216  19.275  19.275
  106    HE2  TYR  13           HE1      TYR  13  25.624  21.725  21.725
  107    HH   TYR  13           HH       TYR  13  24.062  19.177  19.177
  108    H    ASP  14           H        ASP  14  19.229  25.202  25.202
  109    HA   ASP  14           HA       ASP  14  18.877  26.291  26.291
  110   1HB   ASP  14          2HB       ASP  14  18.030  26.971  26.971
  111   2HB   ASP  14          1HB       ASP  14  16.633  26.097  26.097
  112    H    CYS  15           H        CYS  15  17.521  23.436  23.436
  113    HA   CYS  15           HA       CYS  15  15.248  22.967  22.967
  114   1HB   CYS  15          2HB       CYS  15  17.226  20.788  20.788
  115   2HB   CYS  15          1HB       CYS  15  15.486  20.699  20.699
  116    H    CYS  16           H        CYS  16  14.763  22.331  22.331
  117    HA   CYS  16           HA       CYS  16  16.406  22.759  22.759
  118   1HB   CYS  16          2HB       CYS  16  14.020  20.916  20.916
  119   2HB   CYS  16          1HB       CYS  16  14.616  21.665  21.665
  120    H    THR  17           H        THR  17  15.626  19.792  19.792
  121    HA   THR  17           HA       THR  17  17.793  18.381  18.381
  122    HB   THR  17           HB       THR  17  15.368  17.013  17.013
  123    HG1  THR  17           HG1      THR  17  14.729  18.548  18.548
  124   1HG2  THR  17          2HG2      THR  17  17.269  16.266  16.266
  125   2HG2  THR  17          1HG2      THR  17  15.849  15.337  15.337
  126   3HG2  THR  17          3HG2      THR  17  17.207  15.448  15.448
  127    H    GLY  18           H        GLY  18  18.363  19.903  19.903
  128   1HA   GLY  18          2HA       GLY  18  19.311  19.885  19.885
  129   2HA   GLY  18          1HA       GLY  18  20.222  18.561  18.561
  130    H    SER  19           H        SER  19  16.859  18.801  18.801
  131    HA   SER  19           HA       SER  19  16.845  16.236  16.236
  132   1HB   SER  19          2HB       SER  19  14.941  18.070  18.070
  133   2HB   SER  19          1HB       SER  19  14.401  17.621  17.621
  134    HG   SER  19           HG       SER  19  13.943  16.135  16.135
  135    H    CYS  20           H        CYS  20  17.483  19.323  19.323
  136    HA   CYS  20           HA       CYS  20  16.545  20.087  20.087
  137   1HB   CYS  20          2HB       CYS  20  18.622  20.923  20.923
  138   2HB   CYS  20          1HB       CYS  20  19.515  19.715  19.715
  139    H    ARG  21           H        ARG  21  16.269  19.607  19.607
  140    HA   ARG  21           HA       ARG  21  17.648  17.311  17.311
  141   1HB   ARG  21          2HB       ARG  21  15.227  16.917  16.917
  142   2HB   ARG  21          1HB       ARG  21  14.687  17.894  17.894
  143   1HG   ARG  21          2HG       ARG  21  15.850  16.302  16.302
  144   2HG   ARG  21          1HG       ARG  21  16.291  15.312  15.312
  145   1HD   ARG  21          2HD       ARG  21  13.403  16.010  16.010
  146   2HD   ARG  21          1HD       ARG  21  14.201  14.495  14.495
  147    HE   ARG  21           HE       ARG  21  14.155  13.883  13.883
  148   1HH1  ARG  21          2HH1      ARG  21  12.859  17.071  17.071
  149   2HH1  ARG  21          1HH1      ARG  21  12.143  17.139  17.139
  150   1HH2  ARG  21          1HH2      ARG  21  13.251  13.972  13.972
  151   2HH2  ARG  21          2HH2      ARG  21  12.367  15.375  15.375
  152    H    SER  22           H        SER  22  18.684  19.497  19.497
  153    HA   SER  22           HA       SER  22  19.277  21.300  21.300
  154   1HB   SER  22          2HB       SER  22  19.509  20.614  20.614
  155   2HB   SER  22          1HB       SER  22  19.889  19.242  19.242
  156    HG   SER  22           HG       SER  22  17.296  19.767  19.767
  157    H    GLY  23           H        GLY  23  16.823  21.566  21.566
  158   1HA   GLY  23          2HA       GLY  23  15.682  23.820  23.820
  159   2HA   GLY  23          1HA       GLY  23  15.115  22.798  22.798
  160    H    LYS  24           H        LYS  24  14.932  20.549  20.549
  161    HA   LYS  24           HA       LYS  24  12.422  21.559  21.559
  162   1HB   LYS  24          2HB       LYS  24  12.820  19.166  19.166
  163   2HB   LYS  24          1HB       LYS  24  11.759  18.956  18.956
  164   1HG   LYS  24          2HG       LYS  24  10.603  21.157  21.157
  165   2HG   LYS  24          1HG       LYS  24  11.454  20.923  20.923
  166   1HD   LYS  24          2HD       LYS  24   9.760  18.714  18.714
  167   2HD   LYS  24          1HD       LYS  24   9.045  19.941  19.941
  168   1HE   LYS  24          2HE       LYS  24  11.410  18.254  18.254
  169   2HE   LYS  24          1HE       LYS  24   9.739  17.788  17.788
  170   1HZ   LYS  24          2HZ       LYS  24   9.393  19.919  19.919
  171   2HZ   LYS  24          1HZ       LYS  24  11.045  20.271  20.271
  172   3HZ   LYS  24          3HZ       LYS  24  10.557  18.949  18.949
  173    H    CYS  25           H        CYS  25  12.541  21.338  21.338
  174    HA   CYS  25           HA       CYS  25  14.687  19.812  19.812
  175   1HB   CYS  25          2HB       CYS  25  12.384  21.453  21.453
  176   2HB   CYS  25          1HB       CYS  25  13.320  20.539  20.539
  177   1HN   NH2  26          1HT       CYS  25  14.024  17.654  17.654
  178   2HN   NH2  26          2HT       CYS  25  12.877  16.725  16.725

  Start of MODEL    6
    1   1H    CYS   1          2H        CYS   1  14.784  28.824  28.824
    2   2H    CYS   1          1H        CYS   1  14.285  27.687  27.687
    3   3H    CYS   1          3H        CYS   1  15.918  28.144  28.144
    4    HA   CYS   1           HA       CYS   1  16.106  27.161  27.161
    5   1HB   CYS   1          2HB       CYS   1  15.904  24.811  24.811
    6   2HB   CYS   1          1HB       CYS   1  16.661  25.811  25.811
    7    H    LYS   2           H        LYS   2  14.845  24.936  24.936
    8    HA   LYS   2           HA       LYS   2  12.075  25.824  25.824
    9   1HB   LYS   2          2HB       LYS   2  14.385  25.133  25.133
   10   2HB   LYS   2          1HB       LYS   2  12.808  24.590  24.590
   11   1HG   LYS   2          2HG       LYS   2  11.934  26.907  26.907
   12   2HG   LYS   2          1HG       LYS   2  13.509  27.460  27.460
   13   1HD   LYS   2          2HD       LYS   2  14.468  26.631  26.631
   14   2HD   LYS   2          1HD       LYS   2  12.850  26.218  26.218
   15   1HE   LYS   2          2HE       LYS   2  12.646  28.345  28.345
   16   2HE   LYS   2          1HE       LYS   2  12.630  28.904  28.904
   17   1HZ   LYS   2          3HZ       LYS   2  15.132  28.402  28.402
   18   2HZ   LYS   2          2HZ       LYS   2  14.343  29.907  29.907
   19   3HZ   LYS   2          1HZ       LYS   2  14.930  29.245  29.245
   20    H    GLY   3           H        GLY   3  10.581  24.355  24.355
   21   1HA   GLY   3          2HA       GLY   3  10.973  21.656  21.656
   22   2HA   GLY   3          1HA       GLY   3   9.429  22.437  22.437
   23    H    LYS   4           H        LYS   4   9.665  19.915  19.915
   24    HA   LYS   4           HA       LYS   4  10.706  19.217  19.217
   25   1HB   LYS   4          2HB       LYS   4   9.003  17.421  17.421
   26   2HB   LYS   4          1HB       LYS   4   9.702  17.610  17.610
   27   1HG   LYS   4          2HG       LYS   4   7.642  19.214  19.214
   28   2HG   LYS   4          1HG       LYS   4   6.946  18.436  18.436
   29   1HD   LYS   4          2HD       LYS   4   7.247  16.210  16.210
   30   2HD   LYS   4          1HD       LYS   4   7.944  16.990  16.990
   31   1HE   LYS   4          2HE       LYS   4   5.795  18.283  18.283
   32   2HE   LYS   4          1HE       LYS   4   5.107  17.372  17.372
   33   1HZ   LYS   4          1HZ       LYS   4   5.565  15.333  15.333
   34   2HZ   LYS   4          3HZ       LYS   4   6.111  16.267  16.267
   35   3HZ   LYS   4          2HZ       LYS   4   4.491  16.371  16.371
   36    H    GLY   5           H        GLY   5  10.135  19.455  19.455
   37   1HA   GLY   5          2HA       GLY   5   8.920  20.075  20.075
   38   2HA   GLY   5          1HA       GLY   5   7.533  20.416  20.416
   39    H    ALA   6           H        ALA   6  10.376  22.004  22.004
   40    HA   ALA   6           HA       ALA   6   9.298  24.588  24.588
   41   1HB   ALA   6          2HB       ALA   6   9.832  24.297  24.297
   42   2HB   ALA   6          1HB       ALA   6  11.513  24.029  24.029
   43   3HB   ALA   6          3HB       ALA   6  10.757  25.593  25.593
   44    H    LYS   7           H        LYS   7  10.894  26.237  26.237
   45    HA   LYS   7           HA       LYS   7  12.539  25.255  25.255
   46   1HB   LYS   7          2HB       LYS   7  11.580  27.921  27.921
   47   2HB   LYS   7          1HB       LYS   7  13.102  27.967  27.967
   48   1HG   LYS   7          2HG       LYS   7  11.457  28.297  28.297
   49   2HG   LYS   7          1HG       LYS   7  12.004  26.649  26.649
   50   1HD   LYS   7          2HD       LYS   7   9.703  26.310  26.310
   51   2HD   LYS   7          1HD       LYS   7   9.965  26.094  26.094
   52   1HE   LYS   7          2HE       LYS   7   9.355  28.468  28.468
   53   2HE   LYS   7          1HE       LYS   7   9.092  28.693  28.693
   54   1HZ   LYS   7          1HZ       LYS   7   7.457  26.843  26.843
   55   2HZ   LYS   7          3HZ       LYS   7   7.604  26.925  26.925
   56   3HZ   LYS   7          2HZ       LYS   7   7.017  28.263  28.263
   57    H    CYS   8           H        CYS   8  14.058  24.035  24.035
   58    HA   CYS   8           HA       CYS   8  15.934  25.185  25.185
   59   1HB   CYS   8          2HB       CYS   8  16.700  23.047  23.047
   60   2HB   CYS   8          1HB       CYS   8  15.008  22.835  22.835
   61    H    SER   9           H        SER   9  18.247  24.133  24.133
   62    HA   SER   9           HA       SER   9  19.239  24.590  24.590
   63   1HB   SER   9          2HB       SER   9  20.967  26.264  26.264
   64   2HB   SER   9          1HB       SER   9  19.962  26.710  26.710
   65    HG   SER   9           HG       SER   9  18.924  26.399  26.399
   66    H    ARG  10           H        ARG  10  20.738  23.246  23.246
   67    HA   ARG  10           HA       ARG  10  21.825  21.611  21.611
   68   1HB   ARG  10          2HB       ARG  10  22.174  21.674  21.674
   69   2HB   ARG  10          1HB       ARG  10  23.246  20.682  20.682
   70   1HG   ARG  10          2HG       ARG  10  21.260  19.566  19.566
   71   2HG   ARG  10          1HG       ARG  10  20.202  20.525  20.525
   72   1HD   ARG  10          2HD       ARG  10  20.477  18.397  18.397
   73   2HD   ARG  10          1HD       ARG  10  21.470  19.541  19.541
   74    HE   ARG  10           HE       ARG  10  23.380  18.399  18.399
   75   1HH1  ARG  10          1HH1      ARG  10  21.482  16.227  16.227
   76   2HH1  ARG  10          2HH1      ARG  10  20.633  17.494  17.494
   77   1HH2  ARG  10          1HH2      ARG  10  24.469  16.802  16.802
   78   2HH2  ARG  10          2HH2      ARG  10  23.689  15.828  15.828
   79    H    LEU  11           H        LEU  11  22.641  24.548  24.548
   80    HA   LEU  11           HA       LEU  11  25.545  24.351  24.351
   81   1HB   LEU  11          2HB       LEU  11  24.495  25.571  25.571
   82   2HB   LEU  11          1HB       LEU  11  23.968  26.786  26.786
   83    HG   LEU  11           HG       LEU  11  26.544  26.783  26.783
   84   1HD1  LEU  11          3HD1      LEU  11  27.158  24.838  24.838
   85   2HD1  LEU  11          2HD1      LEU  11  26.707  25.774  25.774
   86   3HD1  LEU  11          1HD1      LEU  11  28.063  26.280  26.280
   87   1HD2  LEU  11          3HD2      LEU  11  25.572  28.049  28.049
   88   2HD2  LEU  11          2HD2      LEU  11  25.394  28.728  28.728
   89   3HD2  LEU  11          1HD2      LEU  11  26.990  28.553  28.553
   90    H    MET  12           H        MET  12  22.567  25.404  25.404
   91    HA   MET  12           HA       MET  12  23.985  26.278  26.278
   92   1HB   MET  12          2HB       MET  12  22.017  27.983  27.983
   93   2HB   MET  12          1HB       MET  12  22.387  28.327  28.327
   94   1HG   MET  12          2HG       MET  12  24.333  28.328  28.328
   95   2HG   MET  12          1HG       MET  12  23.763  29.707  29.707
   96   1HE   MET  12          2HE       MET  12  24.074  29.750  29.750
   97   2HE   MET  12          1HE       MET  12  25.771  29.922  29.922
   98   3HE   MET  12          3HE       MET  12  25.104  30.861  30.861
   99    H    TYR  13           H        TYR  13  22.666  23.958  23.958
  100    HA   TYR  13           HA       TYR  13  20.365  22.988  22.988
  101   1HB   TYR  13          2HB       TYR  13  22.588  22.750  22.750
  102   2HB   TYR  13          1HB       TYR  13  21.120  21.796  21.796
  103    HD1  TYR  13           HD2      TYR  13  20.397  20.293  20.293
  104    HD2  TYR  13           HD1      TYR  13  24.220  22.169  22.169
  105    HE1  TYR  13           HE2      TYR  13  21.189  18.719  18.719
  106    HE2  TYR  13           HE1      TYR  13  25.004  20.592  20.592
  107    HH   TYR  13           HH       TYR  13  24.497  18.886  18.886
  108    H    ASP  14           H        ASP  14  19.305  24.982  24.982
  109    HA   ASP  14           HA       ASP  14  18.516  26.512  26.512
  110   1HB   ASP  14          2HB       ASP  14  17.786  26.413  26.413
  111   2HB   ASP  14          1HB       ASP  14  16.381  25.765  25.765
  112    H    CYS  15           H        CYS  15  17.476  23.350  23.350
  113    HA   CYS  15           HA       CYS  15  15.195  23.125  23.125
  114   1HB   CYS  15          2HB       CYS  15  17.026  20.839  20.839
  115   2HB   CYS  15          1HB       CYS  15  15.296  20.820  20.820
  116    H    CYS  16           H        CYS  16  14.909  22.403  22.403
  117    HA   CYS  16           HA       CYS  16  16.788  22.979  22.979
  118   1HB   CYS  16          2HB       CYS  16  14.433  21.088  21.088
  119   2HB   CYS  16          1HB       CYS  16  15.151  21.956  21.956
  120    H    THR  17           H        THR  17  15.817  19.920  19.920
  121    HA   THR  17           HA       THR  17  18.102  18.564  18.564
  122    HB   THR  17           HB       THR  17  15.757  17.147  17.147
  123    HG1  THR  17           HG1      THR  17  16.014  18.312  18.312
  124   1HG2  THR  17          1HG2      THR  17  17.525  16.437  16.437
  125   2HG2  THR  17          3HG2      THR  17  16.216  15.441  15.441
  126   3HG2  THR  17          2HG2      THR  17  17.661  15.682  15.682
  127    H    GLY  18           H        GLY  18  18.420  20.199  20.199
  128   1HA   GLY  18          2HA       GLY  18  19.266  20.293  20.293
  129   2HA   GLY  18          1HA       GLY  18  20.441  19.209  19.209
  130    H    SER  19           H        SER  19  17.078  18.678  18.678
  131    HA   SER  19           HA       SER  19  17.622  16.144  16.144
  132   1HB   SER  19          2HB       SER  19  15.360  17.507  17.507
  133   2HB   SER  19          1HB       SER  19  14.897  16.891  16.891
  134    HG   SER  19           HG       SER  19  14.802  15.358  15.358
  135    H    CYS  20           H        CYS  20  17.455  19.277  19.277
  136    HA   CYS  20           HA       CYS  20  16.361  19.864  19.864
  137   1HB   CYS  20          2HB       CYS  20  18.360  20.973  20.973
  138   2HB   CYS  20          1HB       CYS  20  19.360  19.917  19.917
  139    H    ARG  21           H        ARG  21  15.846  19.196  19.196
  140    HA   ARG  21           HA       ARG  21  17.366  17.022  17.022
  141   1HB   ARG  21          2HB       ARG  21  14.412  17.728  17.728
  142   2HB   ARG  21          1HB       ARG  21  15.256  16.339  16.339
  143   1HG   ARG  21          2HG       ARG  21  15.396  15.250  15.250
  144   2HG   ARG  21          1HG       ARG  21  15.109  16.722  16.722
  145   1HD   ARG  21          2HD       ARG  21  12.776  16.785  16.785
  146   2HD   ARG  21          1HD       ARG  21  13.086  15.126  15.126
  147    HE   ARG  21           HE       ARG  21  13.643  14.963  14.963
  148   1HH1  ARG  21          2HH1      ARG  21  10.994  16.423  16.423
  149   2HH1  ARG  21          1HH1      ARG  21   9.877  16.160  16.160
  150   1HH2  ARG  21          1HH2      ARG  21  12.237  14.628  14.628
  151   2HH2  ARG  21          2HH2      ARG  21  10.587  15.134  15.134
  152    H    SER  22           H        SER  22  18.583  19.035  19.035
  153    HA   SER  22           HA       SER  22  19.345  20.683  20.683
  154   1HB   SER  22          2HB       SER  22  19.142  18.512  18.512
  155   2HB   SER  22          1HB       SER  22  17.730  19.288  19.288
  156    HG   SER  22           HG       SER  22  19.319  20.147  20.147
  157    H    GLY  23           H        GLY  23  16.858  21.197  21.197
  158   1HA   GLY  23          2HA       GLY  23  16.124  23.691  23.691
  159   2HA   GLY  23          1HA       GLY  23  15.414  22.975  22.975
  160    H    LYS  24           H        LYS  24  14.794  20.513  20.513
  161    HA   LYS  24           HA       LYS  24  12.394  21.723  21.723
  162   1HB   LYS  24          2HB       LYS  24  12.671  19.281  19.281
  163   2HB   LYS  24          1HB       LYS  24  11.404  19.307  19.307
  164   1HG   LYS  24          2HG       LYS  24  11.805  21.504  21.504
  165   2HG   LYS  24          1HG       LYS  24  10.711  20.157  20.157
  166   1HD   LYS  24          2HD       LYS  24   9.097  21.302  21.302
  167   2HD   LYS  24          1HD       LYS  24  10.047  21.213  21.213
  168   1HE   LYS  24          2HE       LYS  24  11.221  23.322  23.322
  169   2HE   LYS  24          1HE       LYS  24  10.271  23.398  23.398
  170   1HZ   LYS  24          2HZ       LYS  24   8.382  23.109  23.109
  171   2HZ   LYS  24          1HZ       LYS  24   9.541  24.042  24.042
  172   3HZ   LYS  24          3HZ       LYS  24   8.889  24.590  24.590
  173    H    CYS  25           H        CYS  25  12.600  21.502  21.502
  174    HA   CYS  25           HA       CYS  25  14.540  19.898  19.898
  175   1HB   CYS  25          2HB       CYS  25  11.985  21.134  21.134
  176   2HB   CYS  25          1HB       CYS  25  12.991  20.230  20.230
  177   1HN   NH2  26          1HT       CYS  25  14.723  17.720  17.720
  178   2HN   NH2  26          2HT       CYS  25  13.446  16.612  16.612

  Start of MODEL    7
    1   1H    CYS   1          3H        CYS   1  14.508  28.728  28.728
    2   2H    CYS   1          2H        CYS   1  13.914  27.545  27.545
    3   3H    CYS   1          1H        CYS   1  15.540  28.026  28.026
    4    HA   CYS   1           HA       CYS   1  15.970  27.118  27.118
    5   1HB   CYS   1          2HB       CYS   1  15.679  24.735  24.735
    6   2HB   CYS   1          1HB       CYS   1  16.313  25.674  25.674
    7    H    LYS   2           H        LYS   2  14.936  25.050  25.050
    8    HA   LYS   2           HA       LYS   2  12.279  26.003  26.003
    9   1HB   LYS   2          2HB       LYS   2  14.726  24.910  24.910
   10   2HB   LYS   2          1HB       LYS   2  13.180  24.530  24.530
   11   1HG   LYS   2          2HG       LYS   2  13.873  26.535  26.535
   12   2HG   LYS   2          1HG       LYS   2  12.629  27.025  27.025
   13   1HD   LYS   2          2HD       LYS   2  14.100  28.166  28.166
   14   2HD   LYS   2          1HD       LYS   2  15.417  27.046  27.046
   15   1HE   LYS   2          2HE       LYS   2  15.616  28.021  28.021
   16   2HE   LYS   2          1HE       LYS   2  14.461  29.248  29.248
   17   1HZ   LYS   2          1HZ       LYS   2  16.248  29.309  29.309
   18   2HZ   LYS   2          3HZ       LYS   2  17.238  28.954  28.954
   19   3HZ   LYS   2          2HZ       LYS   2  16.258  30.341  30.341
   20    H    GLY   3           H        GLY   3  10.619  24.731  24.731
   21   1HA   GLY   3          2HA       GLY   3  10.720  22.122  22.122
   22   2HA   GLY   3          1HA       GLY   3   9.276  22.937  22.937
   23    H    LYS   4           H        LYS   4   9.288  20.355  20.355
   24    HA   LYS   4           HA       LYS   4  10.619  19.341  19.341
   25   1HB   LYS   4          2HB       LYS   4   8.805  17.635  17.635
   26   2HB   LYS   4          1HB       LYS   4   9.428  17.885  17.885
   27   1HG   LYS   4          2HG       LYS   4   7.503  19.344  19.344
   28   2HG   LYS   4          1HG       LYS   4   6.867  19.174  19.174
   29   1HD   LYS   4          2HD       LYS   4   7.410  16.737  16.737
   30   2HD   LYS   4          1HD       LYS   4   5.910  17.631  17.631
   31   1HE   LYS   4          2HE       LYS   4   6.936  16.418  16.418
   32   2HE   LYS   4          1HE       LYS   4   5.705  15.704  15.704
   33   1HZ   LYS   4          2HZ       LYS   4   4.569  17.986  17.986
   34   2HZ   LYS   4          1HZ       LYS   4   5.561  18.118  18.118
   35   3HZ   LYS   4          3HZ       LYS   4   4.464  16.829  16.829
   36    H    GLY   5           H        GLY   5  10.175  19.235  19.235
   37   1HA   GLY   5          2HA       GLY   5   9.286  19.791  19.791
   38   2HA   GLY   5          1HA       GLY   5   7.767  20.150  20.150
   39    H    ALA   6           H        ALA   6  10.398  21.888  21.888
   40    HA   ALA   6           HA       ALA   6   9.335  24.399  24.399
   41   1HB   ALA   6          3HB       ALA   6  11.655  23.829  23.829
   42   2HB   ALA   6          2HB       ALA   6  11.056  25.437  25.437
   43   3HB   ALA   6          1HB       ALA   6  10.031  24.295  24.295
   44    H    LYS   7           H        LYS   7  10.643  25.984  25.984
   45    HA   LYS   7           HA       LYS   7  12.258  24.944  24.944
   46   1HB   LYS   7          2HB       LYS   7  10.669  26.993  26.993
   47   2HB   LYS   7          1HB       LYS   7  11.911  27.882  27.882
   48   1HG   LYS   7          2HG       LYS   7  12.448  28.362  28.362
   49   2HG   LYS   7          1HG       LYS   7  13.508  27.003  27.003
   50   1HD   LYS   7          2HD       LYS   7  11.699  25.475  25.475
   51   2HD   LYS   7          1HD       LYS   7  10.788  26.914  26.914
   52   1HE   LYS   7          2HE       LYS   7  12.659  27.685  27.685
   53   2HE   LYS   7          1HE       LYS   7  13.604  26.274  26.274
   54   1HZ   LYS   7          2HZ       LYS   7  10.943  26.090  26.090
   55   2HZ   LYS   7          1HZ       LYS   7  12.399  26.113  26.113
   56   3HZ   LYS   7          3HZ       LYS   7  12.085  24.852  24.852
   57    H    CYS   8           H        CYS   8  13.888  23.941  23.941
   58    HA   CYS   8           HA       CYS   8  15.678  25.447  25.447
   59   1HB   CYS   8          2HB       CYS   8  16.547  23.437  23.437
   60   2HB   CYS   8          1HB       CYS   8  14.968  22.950  22.950
   61    H    SER   9           H        SER   9  18.114  24.396  24.396
   62    HA   SER   9           HA       SER   9  18.911  24.873  24.873
   63   1HB   SER   9          2HB       SER   9  20.617  26.642  26.642
   64   2HB   SER   9          1HB       SER   9  19.597  27.038  27.038
   65    HG   SER   9           HG       SER   9  19.114  27.315  27.315
   66    H    ARG  10           H        ARG  10  20.501  23.659  23.659
   67    HA   ARG  10           HA       ARG  10  21.732  21.949  21.949
   68   1HB   ARG  10          2HB       ARG  10  23.190  21.230  21.230
   69   2HB   ARG  10          1HB       ARG  10  21.474  20.945  20.945
   70   1HG   ARG  10          2HG       ARG  10  21.201  22.443  22.443
   71   2HG   ARG  10          1HG       ARG  10  22.274  23.629  23.629
   72   1HD   ARG  10          2HD       ARG  10  23.997  21.498  21.498
   73   2HD   ARG  10          1HD       ARG  10  22.828  21.650  21.650
   74    HE   ARG  10           HE       ARG  10  23.737  23.735  23.735
   75   1HH1  ARG  10          2HH1      ARG  10  24.752  22.758  22.758
   76   2HH1  ARG  10          1HH1      ARG  10  25.883  24.059  24.059
   77   1HH2  ARG  10          1HH2      ARG  10  25.154  25.388  25.388
   78   2HH2  ARG  10          2HH2      ARG  10  26.112  25.574  25.574
   79    H    LEU  11           H        LEU  11  22.527  25.031  25.031
   80    HA   LEU  11           HA       LEU  11  25.412  24.815  24.815
   81   1HB   LEU  11          2HB       LEU  11  25.426  27.250  27.250
   82   2HB   LEU  11          1HB       LEU  11  24.581  26.386  26.386
   83    HG   LEU  11           HG       LEU  11  22.692  27.155  27.155
   84   1HD1  LEU  11          1HD1      LEU  11  24.305  29.008  29.008
   85   2HD1  LEU  11          3HD1      LEU  11  24.235  29.428  29.428
   86   3HD1  LEU  11          2HD1      LEU  11  22.809  29.608  29.608
   87   1HD2  LEU  11          1HD2      LEU  11  22.931  27.895  27.895
   88   2HD2  LEU  11          3HD2      LEU  11  22.008  26.554  26.554
   89   3HD2  LEU  11          2HD2      LEU  11  21.521  28.205  28.205
   90    H    MET  12           H        MET  12  22.744  25.077  25.077
   91    HA   MET  12           HA       MET  12  24.433  25.508  25.508
   92   1HB   MET  12          2HB       MET  12  23.277  27.645  27.645
   93   2HB   MET  12          1HB       MET  12  24.215  27.868  27.868
   94   1HG   MET  12          2HG       MET  12  22.392  28.353  28.353
   95   2HG   MET  12          1HG       MET  12  21.453  27.045  27.045
   96   1HE   MET  12          3HE       MET  12  22.959  30.488  30.488
   97   2HE   MET  12          2HE       MET  12  21.877  30.757  30.757
   98   3HE   MET  12          1HE       MET  12  21.478  31.403  31.403
   99    H    TYR  13           H        TYR  13  22.713  23.521  23.521
  100    HA   TYR  13           HA       TYR  13  20.382  22.721  22.721
  101   1HB   TYR  13          2HB       TYR  13  22.306  21.716  21.716
  102   2HB   TYR  13          1HB       TYR  13  21.070  20.819  20.819
  103    HD1  TYR  13           HD1      TYR  13  21.445  20.224  20.224
  104    HD2  TYR  13           HD2      TYR  13  24.491  22.057  22.057
  105    HE1  TYR  13           HE1      TYR  13  23.111  19.575  19.575
  106    HE2  TYR  13           HE2      TYR  13  26.159  21.404  21.404
  107    HH   TYR  13           HH       TYR  13  26.527  20.471  20.471
  108    H    ASP  14           H        ASP  14  19.696  24.838  24.838
  109    HA   ASP  14           HA       ASP  14  19.475  25.823  25.823
  110   1HB   ASP  14          2HB       ASP  14  17.484  27.055  27.055
  111   2HB   ASP  14          1HB       ASP  14  18.994  27.204  27.204
  112    H    CYS  15           H        CYS  15  17.884  23.149  23.149
  113    HA   CYS  15           HA       CYS  15  15.430  23.153  23.153
  114   1HB   CYS  15          2HB       CYS  15  17.149  20.776  20.776
  115   2HB   CYS  15          1HB       CYS  15  15.422  20.771  20.771
  116    H    CYS  16           H        CYS  16  14.793  22.409  22.409
  117    HA   CYS  16           HA       CYS  16  16.363  22.796  22.796
  118   1HB   CYS  16          2HB       CYS  16  13.937  21.020  21.020
  119   2HB   CYS  16          1HB       CYS  16  14.491  21.782  21.782
  120    H    THR  17           H        THR  17  15.518  19.830  19.830
  121    HA   THR  17           HA       THR  17  17.556  18.360  18.360
  122    HB   THR  17           HB       THR  17  15.228  17.062  17.062
  123    HG1  THR  17           HG1      THR  17  14.052  17.403  17.403
  124   1HG2  THR  17          2HG2      THR  17  16.899  16.260  16.260
  125   2HG2  THR  17          1HG2      THR  17  15.510  15.357  15.357
  126   3HG2  THR  17          3HG2      THR  17  16.963  15.457  15.457
  127    H    GLY  18           H        GLY  18  18.273  19.917  19.917
  128   1HA   GLY  18          2HA       GLY  18  19.410  19.929  19.929
  129   2HA   GLY  18          1HA       GLY  18  20.229  18.555  18.555
  130    H    SER  19           H        SER  19  16.910  18.817  18.817
  131    HA   SER  19           HA       SER  19  16.970  16.347  16.347
  132   1HB   SER  19          2HB       SER  19  15.009  18.028  18.028
  133   2HB   SER  19          1HB       SER  19  14.478  17.709  17.709
  134    HG   SER  19           HG       SER  19  13.872  15.938  15.938
  135    H    CYS  20           H        CYS  20  17.475  19.554  19.554
  136    HA   CYS  20           HA       CYS  20  16.461  20.262  20.262
  137   1HB   CYS  20          2HB       CYS  20  18.301  21.444  21.444
  138   2HB   CYS  20          1HB       CYS  20  19.430  20.373  20.373
  139    H    ARG  21           H        ARG  21  16.128  19.449  19.449
  140    HA   ARG  21           HA       ARG  21  17.942  17.409  17.409
  141   1HB   ARG  21          2HB       ARG  21  15.508  16.776  16.776
  142   2HB   ARG  21          1HB       ARG  21  14.976  17.687  17.687
  143   1HG   ARG  21          2HG       ARG  21  16.382  16.249  16.249
  144   2HG   ARG  21          1HG       ARG  21  16.908  15.334  15.334
  145   1HD   ARG  21          2HD       ARG  21  15.013  14.185  14.185
  146   2HD   ARG  21          1HD       ARG  21  14.566  14.644  14.644
  147    HE   ARG  21           HE       ARG  21  13.024  16.169  16.169
  148   1HH1  ARG  21          1HH2      ARG  21  15.244  15.164  15.164
  149   2HH1  ARG  21          2HH2      ARG  21  14.362  15.956  15.956
  150   1HH2  ARG  21          2HH1      ARG  21  11.900  17.168  17.168
  151   2HH2  ARG  21          1HH1      ARG  21  12.444  17.102  17.102
  152    H    SER  22           H        SER  22  18.907  19.531  19.531
  153    HA   SER  22           HA       SER  22  19.530  21.216  21.216
  154   1HB   SER  22          2HB       SER  22  18.355  19.221  19.221
  155   2HB   SER  22          1HB       SER  22  19.543  20.483  20.483
  156    HG   SER  22           HG       SER  22  19.815  18.384  18.384
  157    H    GLY  23           H        GLY  23  16.947  21.457  21.457
  158   1HA   GLY  23          2HA       GLY  23  15.901  23.780  23.780
  159   2HA   GLY  23          1HA       GLY  23  15.369  22.869  22.869
  160    H    LYS  24           H        LYS  24  14.994  20.478  20.478
  161    HA   LYS  24           HA       LYS  24  12.388  21.442  21.442
  162   1HB   LYS  24          2HB       LYS  24  12.188  19.969  19.969
  163   2HB   LYS  24          1HB       LYS  24  12.916  18.669  18.669
  164   1HG   LYS  24          2HG       LYS  24  11.056  19.100  19.100
  165   2HG   LYS  24          1HG       LYS  24  10.278  20.085  20.085
  166   1HD   LYS  24          2HD       LYS  24  10.290  18.107  18.107
  167   2HD   LYS  24          1HD       LYS  24  11.011  17.135  17.135
  168   1HE   LYS  24          2HE       LYS  24   8.337  18.580  18.580
  169   2HE   LYS  24          1HE       LYS  24   8.495  16.891  16.891
  170   1HZ   LYS  24          1HZ       LYS  24   9.938  17.680  17.680
  171   2HZ   LYS  24          3HZ       LYS  24   8.244  17.731  17.731
  172   3HZ   LYS  24          2HZ       LYS  24   9.025  16.285  16.285
  173    H    CYS  25           H        CYS  25  12.473  21.304  21.304
  174    HA   CYS  25           HA       CYS  25  14.575  19.839  19.839
  175   1HB   CYS  25          2HB       CYS  25  12.098  21.278  21.278
  176   2HB   CYS  25          1HB       CYS  25  13.029  20.397  20.397
  177   1HN   NH2  26          1HT       CYS  25  14.326  17.622  17.622
  178   2HN   NH2  26          2HT       CYS  25  13.132  16.601  16.601

  Start of MODEL    8
    1   1H    CYS   1          3H        CYS   1  13.915  27.449  27.449
    2   2H    CYS   1          2H        CYS   1  15.539  27.931  27.931
    3   3H    CYS   1          1H        CYS   1  14.530  28.653  28.653
    4    HA   CYS   1           HA       CYS   1  15.991  27.084  27.084
    5   1HB   CYS   1          2HB       CYS   1  15.722  24.668  24.668
    6   2HB   CYS   1          1HB       CYS   1  16.428  25.625  25.625
    7    H    LYS   2           H        LYS   2  15.002  25.012  25.012
    8    HA   LYS   2           HA       LYS   2  12.340  25.924  25.924
    9   1HB   LYS   2          2HB       LYS   2  14.795  24.844  24.844
   10   2HB   LYS   2          1HB       LYS   2  13.263  24.376  24.376
   11   1HG   LYS   2          2HG       LYS   2  12.625  26.772  26.772
   12   2HG   LYS   2          1HG       LYS   2  14.137  27.241  27.241
   13   1HD   LYS   2          2HD       LYS   2  15.159  25.740  25.740
   14   2HD   LYS   2          1HD       LYS   2  13.613  26.093  26.093
   15   1HE   LYS   2          2HE       LYS   2  15.203  28.383  28.383
   16   2HE   LYS   2          1HE       LYS   2  15.654  27.739  27.739
   17   1HZ   LYS   2          3HZ       LYS   2  13.265  28.017  28.017
   18   2HZ   LYS   2          2HZ       LYS   2  13.065  28.909  28.909
   19   3HZ   LYS   2          1HZ       LYS   2  14.143  29.450  29.450
   20    H    GLY   3           H        GLY   3  10.733  24.573  24.573
   21   1HA   GLY   3          2HA       GLY   3  10.755  21.972  21.972
   22   2HA   GLY   3          1HA       GLY   3   9.331  22.848  22.848
   23    H    LYS   4           H        LYS   4   9.083  20.404  20.404
   24    HA   LYS   4           HA       LYS   4  10.374  19.242  19.242
   25   1HB   LYS   4          2HB       LYS   4   8.300  17.819  17.819
   26   2HB   LYS   4          1HB       LYS   4   8.971  17.903  17.903
   27   1HG   LYS   4          2HG       LYS   4   7.271  19.693  19.693
   28   2HG   LYS   4          1HG       LYS   4   6.563  19.480  19.480
   29   1HD   LYS   4          2HD       LYS   4   5.992  17.164  17.164
   30   2HD   LYS   4          1HD       LYS   4   6.882  17.202  17.202
   31   1HE   LYS   4          2HE       LYS   4   5.317  18.901  18.901
   32   2HE   LYS   4          1HE       LYS   4   4.430  18.906  18.906
   33   1HZ   LYS   4          1HZ       LYS   4   4.847  16.419  16.419
   34   2HZ   LYS   4          3HZ       LYS   4   3.564  17.474  17.474
   35   3HZ   LYS   4          2HZ       LYS   4   3.677  16.763  16.763
   36    H    GLY   5           H        GLY   5  10.207  19.380  19.380
   37   1HA   GLY   5          2HA       GLY   5   9.533  20.025  20.025
   38   2HA   GLY   5          1HA       GLY   5   7.955  20.414  20.414
   39    H    ALA   6           H        ALA   6  10.565  21.985  21.985
   40    HA   ALA   6           HA       ALA   6   9.655  24.586  24.586
   41   1HB   ALA   6          3HB       ALA   6  11.940  23.810  23.810
   42   2HB   ALA   6          2HB       ALA   6  11.408  25.463  25.463
   43   3HB   ALA   6          1HB       ALA   6  10.338  24.320  24.320
   44    H    LYS   7           H        LYS   7  10.995  26.115  26.115
   45    HA   LYS   7           HA       LYS   7  12.574  25.064  25.064
   46   1HB   LYS   7          2HB       LYS   7  11.631  27.774  27.774
   47   2HB   LYS   7          1HB       LYS   7  12.977  27.740  27.740
   48   1HG   LYS   7          2HG       LYS   7  10.889  27.892  27.892
   49   2HG   LYS   7          1HG       LYS   7  11.663  26.355  26.355
   50   1HD   LYS   7          2HD       LYS   7  10.131  25.213  25.213
   51   2HD   LYS   7          1HD       LYS   7   9.404  26.751  26.751
   52   1HE   LYS   7          2HE       LYS   7   8.471  27.021  27.021
   53   2HE   LYS   7          1HE       LYS   7   9.415  25.674  25.674
   54   1HZ   LYS   7          2HZ       LYS   7   8.213  24.251  24.251
   55   2HZ   LYS   7          1HZ       LYS   7   7.186  25.569  25.569
   56   3HZ   LYS   7          3HZ       LYS   7   7.257  24.889  24.889
   57    H    CYS   8           H        CYS   8  14.159  23.955  23.955
   58    HA   CYS   8           HA       CYS   8  16.093  25.323  25.323
   59   1HB   CYS   8          2HB       CYS   8  16.926  23.245  23.245
   60   2HB   CYS   8          1HB       CYS   8  15.263  22.905  22.905
   61    H    SER   9           H        SER   9  18.462  24.143  24.143
   62    HA   SER   9           HA       SER   9  19.087  24.704  24.704
   63   1HB   SER   9          2HB       SER   9  20.947  26.402  26.402
   64   2HB   SER   9          1HB       SER   9  19.865  26.884  26.884
   65    HG   SER   9           HG       SER   9  19.361  27.929  27.929
   66    H    ARG  10           H        ARG  10  20.946  23.711  23.711
   67    HA   ARG  10           HA       ARG  10  22.049  21.704  21.704
   68   1HB   ARG  10          2HB       ARG  10  22.422  22.607  22.607
   69   2HB   ARG  10          1HB       ARG  10  23.891  21.972  21.972
   70   1HG   ARG  10          2HG       ARG  10  21.386  20.370  20.370
   71   2HG   ARG  10          1HG       ARG  10  22.019  20.403  20.403
   72   1HD   ARG  10          2HD       ARG  10  24.275  19.703  19.703
   73   2HD   ARG  10          1HD       ARG  10  23.476  19.495  19.495
   74    HE   ARG  10           HE       ARG  10  21.943  18.073  18.073
   75   1HH1  ARG  10          1HH2      ARG  10  25.147  18.039  18.039
   76   2HH1  ARG  10          2HH2      ARG  10  25.341  16.333  16.333
   77   1HH2  ARG  10          2HH1      ARG  10  22.160  15.915  15.915
   78   2HH2  ARG  10          1HH1      ARG  10  23.620  15.108  15.108
   79    H    LEU  11           H        LEU  11  22.849  24.949  24.949
   80    HA   LEU  11           HA       LEU  11  25.515  24.777  24.777
   81   1HB   LEU  11          2HB       LEU  11  25.706  27.182  27.182
   82   2HB   LEU  11          1HB       LEU  11  25.434  26.102  26.102
   83    HG   LEU  11           HG       LEU  11  22.924  27.212  27.212
   84   1HD1  LEU  11          3HD1      LEU  11  24.435  29.196  29.196
   85   2HD1  LEU  11          2HD1      LEU  11  24.790  29.005  29.005
   86   3HD1  LEU  11          1HD1      LEU  11  23.162  29.407  29.407
   87   1HD2  LEU  11          1HD2      LEU  11  23.014  25.793  25.793
   88   2HD2  LEU  11          3HD2      LEU  11  22.224  27.344  27.344
   89   3HD2  LEU  11          2HD2      LEU  11  23.869  27.110  27.110
   90    H    MET  12           H        MET  12  22.332  25.375  25.375
   91    HA   MET  12           HA       MET  12  23.064  26.393  26.393
   92   1HB   MET  12          2HB       MET  12  21.018  27.681  27.681
   93   2HB   MET  12          1HB       MET  12  21.097  28.019  28.019
   94   1HG   MET  12          2HG       MET  12  23.567  28.619  28.619
   95   2HG   MET  12          1HG       MET  12  23.162  28.620  28.620
   96   1HE   MET  12          1HE       MET  12  20.937  29.828  29.828
   97   2HE   MET  12          3HE       MET  12  20.872  31.555  31.555
   98   3HE   MET  12          2HE       MET  12  22.305  30.847  30.847
   99    H    TYR  13           H        TYR  13  22.645  24.423  24.423
  100    HA   TYR  13           HA       TYR  13  20.107  23.004  23.004
  101   1HB   TYR  13          2HB       TYR  13  22.691  22.500  22.500
  102   2HB   TYR  13          1HB       TYR  13  21.277  21.648  21.648
  103    HD1  TYR  13           HD1      TYR  13  22.945  22.374  22.374
  104    HD2  TYR  13           HD2      TYR  13  20.865  19.567  19.567
  105    HE1  TYR  13           HE1      TYR  13  23.192  20.652  20.652
  106    HE2  TYR  13           HE2      TYR  13  21.114  17.865  17.865
  107    HH   TYR  13           HH       TYR  13  21.839  17.407  17.407
  108    H    ASP  14           H        ASP  14  19.217  25.178  25.178
  109    HA   ASP  14           HA       ASP  14  19.073  26.158  26.158
  110   1HB   ASP  14          2HB       ASP  14  18.240  27.136  27.136
  111   2HB   ASP  14          1HB       ASP  14  16.800  26.246  26.246
  112    H    CYS  15           H        CYS  15  17.547  23.415  23.415
  113    HA   CYS  15           HA       CYS  15  15.251  23.070  23.070
  114   1HB   CYS  15          2HB       CYS  15  17.079  20.779  20.779
  115   2HB   CYS  15          1HB       CYS  15  15.337  20.805  20.805
  116    H    CYS  16           H        CYS  16  14.792  22.397  22.397
  117    HA   CYS  16           HA       CYS  16  16.510  22.746  22.746
  118   1HB   CYS  16          2HB       CYS  16  14.088  20.942  20.942
  119   2HB   CYS  16          1HB       CYS  16  14.734  21.717  21.717
  120    H    THR  17           H        THR  17  15.566  19.822  19.822
  121    HA   THR  17           HA       THR  17  17.695  18.297  18.297
  122    HB   THR  17           HB       THR  17  15.284  17.492  17.492
  123    HG1  THR  17           HG1      THR  17  15.850  15.350  15.350
  124   1HG2  THR  17          1HG2      THR  17  14.727  18.042  18.042
  125   2HG2  THR  17          3HG2      THR  17  15.425  16.458  16.458
  126   3HG2  THR  17          2HG2      THR  17  14.021  16.620  16.620
  127    H    GLY  18           H        GLY  18  18.229  19.945  19.945
  128   1HA   GLY  18          2HA       GLY  18  19.218  20.027  20.027
  129   2HA   GLY  18          1HA       GLY  18  20.199  18.753  18.753
  130    H    SER  19           H        SER  19  16.843  18.797  18.797
  131    HA   SER  19           HA       SER  19  17.022  16.252  16.252
  132   1HB   SER  19          2HB       SER  19  14.977  17.947  17.947
  133   2HB   SER  19          1HB       SER  19  14.493  17.475  17.475
  134    HG   SER  19           HG       SER  19  15.009  15.320  15.320
  135    H    CYS  20           H        CYS  20  17.425  19.413  19.413
  136    HA   CYS  20           HA       CYS  20  16.459  20.031  20.031
  137   1HB   CYS  20          2HB       CYS  20  18.417  21.096  21.096
  138   2HB   CYS  20          1HB       CYS  20  19.437  19.958  19.958
  139    H    ARG  21           H        ARG  21  16.193  19.420  19.420
  140    HA   ARG  21           HA       ARG  21  17.805  17.210  17.210
  141   1HB   ARG  21          2HB       ARG  21  14.810  17.695  17.695
  142   2HB   ARG  21          1HB       ARG  21  15.757  16.361  16.361
  143   1HG   ARG  21          2HG       ARG  21  15.269  16.861  16.861
  144   2HG   ARG  21          1HG       ARG  21  14.290  15.792  15.792
  145   1HD   ARG  21          2HD       ARG  21  16.110  14.258  14.258
  146   2HD   ARG  21          1HD       ARG  21  17.301  15.436  15.436
  147    HE   ARG  21           HE       ARG  21  15.232  14.720  14.720
  148   1HH1  ARG  21          2HH1      ARG  21  18.427  14.140  14.140
  149   2HH1  ARG  21          1HH1      ARG  21  18.973  13.410  13.410
  150   1HH2  ARG  21          1HH2      ARG  21  15.908  13.797  13.797
  151   2HH2  ARG  21          2HH2      ARG  21  17.529  13.209  13.209
  152    H    SER  22           H        SER  22  18.875  19.278  19.278
  153    HA   SER  22           HA       SER  22  19.566  21.003  21.003
  154   1HB   SER  22          2HB       SER  22  18.300  19.203  19.203
  155   2HB   SER  22          1HB       SER  22  19.659  20.315  20.315
  156    HG   SER  22           HG       SER  22  20.930  18.932  18.932
  157    H    GLY  23           H        GLY  23  17.067  21.362  21.362
  158   1HA   GLY  23          2HA       GLY  23  16.098  23.728  23.728
  159   2HA   GLY  23          1HA       GLY  23  15.474  22.838  22.838
  160    H    LYS  24           H        LYS  24  15.043  20.453  20.453
  161    HA   LYS  24           HA       LYS  24  12.555  21.565  21.565
  162   1HB   LYS  24          2HB       LYS  24  12.953  18.958  18.958
  163   2HB   LYS  24          1HB       LYS  24  11.560  19.261  19.261
  164   1HG   LYS  24          2HG       LYS  24  11.251  21.450  21.450
  165   2HG   LYS  24          1HG       LYS  24  12.391  20.751  20.751
  166   1HD   LYS  24          2HD       LYS  24  10.919  18.782  18.782
  167   2HD   LYS  24          1HD       LYS  24   9.798  19.414  19.414
  168   1HE   LYS  24          2HE       LYS  24  10.532  20.897  20.897
  169   2HE   LYS  24          1HE       LYS  24   9.104  19.889  19.889
  170   1HZ   LYS  24          2HZ       LYS  24   8.477  21.307  21.307
  171   2HZ   LYS  24          1HZ       LYS  24   9.756  22.347  22.347
  172   3HZ   LYS  24          3HZ       LYS  24   8.477  22.104  22.104
  173    H    CYS  25           H        CYS  25  12.637  21.373  21.373
  174    HA   CYS  25           HA       CYS  25  14.672  19.802  19.802
  175   1HB   CYS  25          2HB       CYS  25  12.275  21.349  21.349
  176   2HB   CYS  25          1HB       CYS  25  13.191  20.435  20.435
  177   1HN   NH2  26          1HT       CYS  25  14.337  17.607  17.607
  178   2HN   NH2  26          2HT       CYS  25  13.084  16.645  16.645

  Start of MODEL    9
    1   1H    CYS   1          2H        CYS   1  15.081  28.774  28.774
    2   2H    CYS   1          1H        CYS   1  14.415  27.645  27.645
    3   3H    CYS   1          3H        CYS   1  16.080  27.982  27.982
    4    HA   CYS   1           HA       CYS   1  16.355  27.041  27.041
    5   1HB   CYS   1          2HB       CYS   1  15.940  24.707  24.707
    6   2HB   CYS   1          1HB       CYS   1  16.659  25.614  25.614
    7    H    LYS   2           H        LYS   2  14.979  24.931  24.931
    8    HA   LYS   2           HA       LYS   2  12.377  26.117  26.117
    9   1HB   LYS   2          2HB       LYS   2  14.664  24.977  24.977
   10   2HB   LYS   2          1HB       LYS   2  13.045  24.816  24.816
   11   1HG   LYS   2          2HG       LYS   2  14.115  27.479  27.479
   12   2HG   LYS   2          1HG       LYS   2  14.391  26.921  26.921
   13   1HD   LYS   2          2HD       LYS   2  11.595  26.574  26.574
   14   2HD   LYS   2          1HD       LYS   2  11.993  28.101  28.101
   15   1HE   LYS   2          2HE       LYS   2  12.630  27.352  27.352
   16   2HE   LYS   2          1HE       LYS   2  11.375  28.465  28.465
   17   1HZ   LYS   2          3HZ       LYS   2  13.125  29.827  29.827
   18   2HZ   LYS   2          2HZ       LYS   2  14.296  28.799  28.799
   19   3HZ   LYS   2          1HZ       LYS   2  13.275  29.700  29.700
   20    H    GLY   3           H        GLY   3  10.744  24.877  24.877
   21   1HA   GLY   3          2HA       GLY   3  10.534  22.317  22.317
   22   2HA   GLY   3          1HA       GLY   3   9.237  23.145  23.145
   23    H    LYS   4           H        LYS   4   9.478  20.454  20.454
   24    HA   LYS   4           HA       LYS   4  11.013  19.498  19.498
   25   1HB   LYS   4          2HB       LYS   4   8.475  18.436  18.436
   26   2HB   LYS   4          1HB       LYS   4   9.380  17.552  17.552
   27   1HG   LYS   4          2HG       LYS   4  11.402  17.599  17.599
   28   2HG   LYS   4          1HG       LYS   4  10.532  18.519  18.519
   29   1HD   LYS   4          2HD       LYS   4   8.872  16.614  16.614
   30   2HD   LYS   4          1HD       LYS   4   9.884  15.691  15.691
   31   1HE   LYS   4          2HE       LYS   4  11.792  15.894  15.894
   32   2HE   LYS   4          1HE       LYS   4  10.756  16.792  16.792
   33   1HZ   LYS   4          1HZ       LYS   4   9.338  14.539  14.539
   34   2HZ   LYS   4          3HZ       LYS   4  10.936  13.991  13.991
   35   3HZ   LYS   4          2HZ       LYS   4  10.199  14.847  14.847
   36    H    GLY   5           H        GLY   5  10.749  19.685  19.685
   37   1HA   GLY   5          2HA       GLY   5   9.649  19.731  19.731
   38   2HA   GLY   5          1HA       GLY   5   8.116  20.020  20.020
   39    H    ALA   6           H        ALA   6  10.522  22.011  22.011
   40    HA   ALA   6           HA       ALA   6   9.375  24.363  24.363
   41   1HB   ALA   6          3HB       ALA   6   9.788  24.270  24.270
   42   2HB   ALA   6          2HB       ALA   6  11.511  24.278  24.278
   43   3HB   ALA   6          1HB       ALA   6  10.512  25.650  25.650
   44    H    LYS   7           H        LYS   7  10.766  26.028  26.028
   45    HA   LYS   7           HA       LYS   7  12.573  25.148  25.148
   46   1HB   LYS   7          2HB       LYS   7  12.027  27.903  27.903
   47   2HB   LYS   7          1HB       LYS   7  13.059  27.651  27.651
   48   1HG   LYS   7          2HG       LYS   7  10.614  26.204  26.204
   49   2HG   LYS   7          1HG       LYS   7  10.144  27.760  27.760
   50   1HD   LYS   7          2HD       LYS   7  12.190  27.518  27.518
   51   2HD   LYS   7          1HD       LYS   7  10.469  27.580  27.580
   52   1HE   LYS   7          2HE       LYS   7  10.280  29.768  29.768
   53   2HE   LYS   7          1HE       LYS   7  11.966  29.708  29.708
   54   1HZ   LYS   7          2HZ       LYS   7  11.065  29.646  29.646
   55   2HZ   LYS   7          1HZ       LYS   7  11.561  31.048  31.048
   56   3HZ   LYS   7          3HZ       LYS   7  12.662  29.780  29.780
   57    H    CYS   8           H        CYS   8  14.163  23.950  23.950
   58    HA   CYS   8           HA       CYS   8  15.951  25.082  25.082
   59   1HB   CYS   8          2HB       CYS   8  16.741  22.992  22.992
   60   2HB   CYS   8          1HB       CYS   8  15.115  22.656  22.656
   61    H    SER   9           H        SER   9  18.310  24.168  24.168
   62    HA   SER   9           HA       SER   9  19.270  24.739  24.739
   63   1HB   SER   9          2HB       SER   9  20.852  26.501  26.501
   64   2HB   SER   9          1HB       SER   9  19.900  26.913  26.913
   65    HG   SER   9           HG       SER   9  19.275  27.114  27.114
   66    H    ARG  10           H        ARG  10  20.943  23.589  23.589
   67    HA   ARG  10           HA       ARG  10  22.171  21.927  21.927
   68   1HB   ARG  10          2HB       ARG  10  22.933  22.336  22.336
   69   2HB   ARG  10          1HB       ARG  10  23.583  21.079  21.079
   70   1HG   ARG  10          2HG       ARG  10  21.065  20.425  20.425
   71   2HG   ARG  10          1HG       ARG  10  20.750  21.424  21.424
   72   1HD   ARG  10          2HD       ARG  10  22.709  19.081  19.081
   73   2HD   ARG  10          1HD       ARG  10  21.065  18.992  18.992
   74    HE   ARG  10           HE       ARG  10  22.183  21.143  21.143
   75   1HH1  ARG  10          2HH1      ARG  10  22.992  17.801  17.801
   76   2HH1  ARG  10          1HH1      ARG  10  23.788  17.669  17.669
   77   1HH2  ARG  10          1HH2      ARG  10  23.183  20.989  20.989
   78   2HH2  ARG  10          2HH2      ARG  10  23.897  19.493  19.493
   79    H    LEU  11           H        LEU  11  22.760  25.031  25.031
   80    HA   LEU  11           HA       LEU  11  25.646  25.022  25.022
   81   1HB   LEU  11          2HB       LEU  11  25.595  27.354  27.354
   82   2HB   LEU  11          1HB       LEU  11  24.915  26.262  26.262
   83    HG   LEU  11           HG       LEU  11  22.679  27.042  27.042
   84   1HD1  LEU  11          2HD1      LEU  11  24.141  28.879  28.879
   85   2HD1  LEU  11          1HD1      LEU  11  24.339  29.497  29.497
   86   3HD1  LEU  11          3HD1      LEU  11  22.750  29.482  29.482
   87   1HD2  LEU  11          2HD2      LEU  11  23.618  28.112  28.112
   88   2HD2  LEU  11          1HD2      LEU  11  22.651  26.666  26.666
   89   3HD2  LEU  11          3HD2      LEU  11  21.982  28.245  28.245
   90    H    MET  12           H        MET  12  22.684  25.515  25.515
   91    HA   MET  12           HA       MET  12  24.105  26.392  26.392
   92   1HB   MET  12          2HB       MET  12  22.820  28.502  28.502
   93   2HB   MET  12          1HB       MET  12  23.722  28.540  28.540
   94   1HG   MET  12          2HG       MET  12  21.794  28.105  28.105
   95   2HG   MET  12          1HG       MET  12  20.820  27.671  27.671
   96   1HE   MET  12          1HE       MET  12  20.265  28.994  28.994
   97   2HE   MET  12          3HE       MET  12  20.656  30.688  30.688
   98   3HE   MET  12          2HE       MET  12  19.121  30.210  30.210
   99    H    TYR  13           H        TYR  13  22.684  24.148  24.148
  100    HA   TYR  13           HA       TYR  13  20.431  23.157  23.157
  101   1HB   TYR  13          2HB       TYR  13  22.563  22.793  22.793
  102   2HB   TYR  13          1HB       TYR  13  21.199  21.705  21.705
  103    HD1  TYR  13           HD1      TYR  13  20.930  20.500  20.500
  104    HD2  TYR  13           HD2      TYR  13  24.460  22.692  22.692
  105    HE1  TYR  13           HE1      TYR  13  22.127  19.331  19.331
  106    HE2  TYR  13           HE2      TYR  13  25.656  21.523  21.523
  107    HH   TYR  13           HH       TYR  13  25.529  20.053  20.053
  108    H    ASP  14           H        ASP  14  19.393  25.225  25.225
  109    HA   ASP  14           HA       ASP  14  18.755  26.441  26.441
  110   1HB   ASP  14          2HB       ASP  14  17.942  26.880  26.880
  111   2HB   ASP  14          1HB       ASP  14  16.555  26.051  26.051
  112    H    CYS  15           H        CYS  15  17.542  23.476  23.476
  113    HA   CYS  15           HA       CYS  15  15.263  23.012  23.012
  114   1HB   CYS  15          2HB       CYS  15  17.275  20.898  20.898
  115   2HB   CYS  15          1HB       CYS  15  15.562  20.706  20.706
  116    H    CYS  16           H        CYS  16  14.827  22.423  22.423
  117    HA   CYS  16           HA       CYS  16  16.577  22.803  22.803
  118   1HB   CYS  16          2HB       CYS  16  14.079  21.102  21.102
  119   2HB   CYS  16          1HB       CYS  16  14.772  21.845  21.845
  120    H    THR  17           H        THR  17  15.528  19.849  19.849
  121    HA   THR  17           HA       THR  17  17.621  18.338  18.338
  122    HB   THR  17           HB       THR  17  15.198  17.099  17.099
  123    HG1  THR  17           HG1      THR  17  14.673  18.723  18.723
  124   1HG2  THR  17          3HG2      THR  17  16.909  16.236  16.236
  125   2HG2  THR  17          2HG2      THR  17  15.498  15.369  15.369
  126   3HG2  THR  17          1HG2      THR  17  16.941  15.452  15.452
  127    H    GLY  18           H        GLY  18  18.261  19.895  19.895
  128   1HA   GLY  18          2HA       GLY  18  19.287  19.880  19.880
  129   2HA   GLY  18          1HA       GLY  18  20.173  18.558  18.558
  130    H    SER  19           H        SER  19  16.822  18.732  18.732
  131    HA   SER  19           HA       SER  19  16.919  16.182  16.182
  132   1HB   SER  19          2HB       SER  19  14.910  17.935  17.935
  133   2HB   SER  19          1HB       SER  19  14.415  17.443  17.443
  134    HG   SER  19           HG       SER  19  13.956  15.936  15.936
  135    H    CYS  20           H        CYS  20  17.367  19.346  19.346
  136    HA   CYS  20           HA       CYS  20  16.434  20.060  20.060
  137   1HB   CYS  20          2HB       CYS  20  18.514  20.911  20.911
  138   2HB   CYS  20          1HB       CYS  20  19.424  19.793  19.793
  139    H    ARG  21           H        ARG  21  15.742  19.126  19.126
  140    HA   ARG  21           HA       ARG  21  17.295  16.955  16.955
  141   1HB   ARG  21          2HB       ARG  21  14.820  16.662  16.662
  142   2HB   ARG  21          1HB       ARG  21  14.338  17.456  17.456
  143   1HG   ARG  21          2HG       ARG  21  14.712  15.608  15.608
  144   2HG   ARG  21          1HG       ARG  21  16.287  15.324  15.324
  145   1HD   ARG  21          2HD       ARG  21  15.381  14.027  14.027
  146   2HD   ARG  21          1HD       ARG  21  13.767  14.680  14.680
  147    HE   ARG  21           HE       ARG  21  13.379  13.095  13.095
  148   1HH1  ARG  21          1HH1      ARG  21  17.186  11.996  11.996
  149   2HH1  ARG  21          2HH1      ARG  21  16.768  13.356  13.356
  150   1HH2  ARG  21          1HH2      ARG  21  13.878  11.364  11.364
  151   2HH2  ARG  21          2HH2      ARG  21  15.523  10.850  10.850
  152    H    SER  22           H        SER  22  18.441  18.902  18.902
  153    HA   SER  22           HA       SER  22  19.163  20.473  20.473
  154   1HB   SER  22          2HB       SER  22  18.861  18.207  18.207
  155   2HB   SER  22          1HB       SER  22  17.524  19.052  19.052
  156    HG   SER  22           HG       SER  22  18.920  20.682  20.682
  157    H    GLY  23           H        GLY  23  16.698  21.046  21.046
  158   1HA   GLY  23          2HA       GLY  23  15.961  23.515  23.515
  159   2HA   GLY  23          1HA       GLY  23  15.234  22.750  22.750
  160    H    LYS  24           H        LYS  24  14.668  20.380  20.380
  161    HA   LYS  24           HA       LYS  24  12.299  21.648  21.648
  162   1HB   LYS  24          2HB       LYS  24  12.426  19.147  19.147
  163   2HB   LYS  24          1HB       LYS  24  11.156  19.355  19.355
  164   1HG   LYS  24          2HG       LYS  24  11.382  21.813  21.813
  165   2HG   LYS  24          1HG       LYS  24  11.310  20.460  20.460
  166   1HD   LYS  24          2HD       LYS  24   9.230  19.661  19.661
  167   2HD   LYS  24          1HD       LYS  24   9.329  20.856  20.856
  168   1HE   LYS  24          2HE       LYS  24   9.207  21.642  21.642
  169   2HE   LYS  24          1HE       LYS  24   7.766  21.445  21.445
  170   1HZ   LYS  24          3HZ       LYS  24   8.831  23.045  23.045
  171   2HZ   LYS  24          2HZ       LYS  24   9.965  23.375  23.375
  172   3HZ   LYS  24          1HZ       LYS  24   8.317  23.690  23.690
  173    H    CYS  25           H        CYS  25  12.617  21.363  21.363
  174    HA   CYS  25           HA       CYS  25  14.572  19.644  19.644
  175   1HB   CYS  25          2HB       CYS  25  12.131  20.943  20.943
  176   2HB   CYS  25          1HB       CYS  25  13.293  20.103  20.103
  177   1HN   NH2  26          1HT       CYS  25  14.277  17.482  17.482
  178   2HN   NH2  26          2HT       CYS  25  13.097  16.438  16.438

  Start of MODEL   10
    1   1H    CYS   1          2H        CYS   1  13.928  27.482  27.482
    2   2H    CYS   1          1H        CYS   1  15.577  27.830  27.830
    3   3H    CYS   1          3H        CYS   1  14.683  28.656  28.656
    4    HA   CYS   1           HA       CYS   1  16.048  27.014  27.014
    5   1HB   CYS   1          2HB       CYS   1  15.641  24.614  24.614
    6   2HB   CYS   1          1HB       CYS   1  16.345  25.511  25.511
    7    H    LYS   2           H        LYS   2  14.963  24.998  24.998
    8    HA   LYS   2           HA       LYS   2  12.359  26.073  26.073
    9   1HB   LYS   2          2HB       LYS   2  14.794  24.957  24.957
   10   2HB   LYS   2          1HB       LYS   2  13.249  24.607  24.607
   11   1HG   LYS   2          2HG       LYS   2  12.866  27.242  27.242
   12   2HG   LYS   2          1HG       LYS   2  14.612  27.269  27.269
   13   1HD   LYS   2          2HD       LYS   2  14.830  26.876  26.876
   14   2HD   LYS   2          1HD       LYS   2  13.562  25.675  25.675
   15   1HE   LYS   2          2HE       LYS   2  12.501  27.346  27.346
   16   2HE   LYS   2          1HE       LYS   2  12.017  27.888  27.888
   17   1HZ   LYS   2          3HZ       LYS   2  14.422  28.808  28.808
   18   2HZ   LYS   2          2HZ       LYS   2  12.958  29.659  29.659
   19   3HZ   LYS   2          1HZ       LYS   2  13.896  29.366  29.366
   20    H    GLY   3           H        GLY   3  10.676  24.827  24.827
   21   1HA   GLY   3          2HA       GLY   3  10.555  22.265  22.265
   22   2HA   GLY   3          1HA       GLY   3   9.221  23.069  23.069
   23    H    LYS   4           H        LYS   4   9.760  20.315  20.315
   24    HA   LYS   4           HA       LYS   4  11.166  19.521  19.521
   25   1HB   LYS   4          2HB       LYS   4   9.152  18.263  18.263
   26   2HB   LYS   4          1HB       LYS   4   9.380  17.496  17.496
   27   1HG   LYS   4          2HG       LYS   4  11.825  17.352  17.352
   28   2HG   LYS   4          1HG       LYS   4  11.622  18.131  18.131
   29   1HD   LYS   4          2HD       LYS   4  10.268  16.283  16.283
   30   2HD   LYS   4          1HD       LYS   4  10.209  15.545  15.545
   31   1HE   LYS   4          2HE       LYS   4  12.589  15.062  15.062
   32   2HE   LYS   4          1HE       LYS   4  12.807  15.989  15.989
   33   1HZ   LYS   4          2HZ       LYS   4  11.235  14.415  14.415
   34   2HZ   LYS   4          1HZ       LYS   4  11.300  13.471  13.471
   35   3HZ   LYS   4          3HZ       LYS   4  12.707  13.723  13.723
   36    H    GLY   5           H        GLY   5  10.741  20.210  20.210
   37   1HA   GLY   5          2HA       GLY   5   9.402  19.928  19.928
   38   2HA   GLY   5          1HA       GLY   5   7.951  20.256  20.256
   39    H    ALA   6           H        ALA   6  10.701  22.114  22.114
   40    HA   ALA   6           HA       ALA   6   9.452  24.552  24.552
   41   1HB   ALA   6          3HB       ALA   6  10.092  24.513  24.513
   42   2HB   ALA   6          2HB       ALA   6  11.761  24.220  24.220
   43   3HB   ALA   6          1HB       ALA   6  10.985  25.742  25.742
   44    H    LYS   7           H        LYS   7  10.924  26.184  26.184
   45    HA   LYS   7           HA       LYS   7  12.490  25.102  25.102
   46   1HB   LYS   7          2HB       LYS   7  12.067  27.977  27.977
   47   2HB   LYS   7          1HB       LYS   7  12.827  27.518  27.518
   48   1HG   LYS   7          2HG       LYS   7  10.734  27.614  27.614
   49   2HG   LYS   7          1HG       LYS   7  10.472  26.062  26.062
   50   1HD   LYS   7          2HD       LYS   7   8.643  27.284  27.284
   51   2HD   LYS   7          1HD       LYS   7   9.782  27.480  27.480
   52   1HE   LYS   7          2HE       LYS   7  10.521  29.675  29.675
   53   2HE   LYS   7          1HE       LYS   7   9.209  29.480  29.480
   54   1HZ   LYS   7          2HZ       LYS   7   7.650  29.424  29.424
   55   2HZ   LYS   7          1HZ       LYS   7   8.921  29.623  29.623
   56   3HZ   LYS   7          3HZ       LYS   7   8.555  30.861  30.861
   57    H    CYS   8           H        CYS   8  14.120  23.971  23.971
   58    HA   CYS   8           HA       CYS   8  15.968  25.424  25.424
   59   1HB   CYS   8          2HB       CYS   8  16.830  23.399  23.399
   60   2HB   CYS   8          1HB       CYS   8  15.241  22.933  22.933
   61    H    SER   9           H        SER   9  18.420  24.187  24.187
   62    HA   SER   9           HA       SER   9  18.925  24.969  24.969
   63   1HB   SER   9          2HB       SER   9  20.879  26.393  26.393
   64   2HB   SER   9          1HB       SER   9  19.964  27.034  27.034
   65    HG   SER   9           HG       SER   9  18.172  27.235  27.235
   66    H    ARG  10           H        ARG  10  20.684  23.899  23.899
   67    HA   ARG  10           HA       ARG  10  21.713  21.667  21.667
   68   1HB   ARG  10          2HB       ARG  10  23.360  21.475  21.475
   69   2HB   ARG  10          1HB       ARG  10  21.729  21.712  21.712
   70   1HG   ARG  10          2HG       ARG  10  22.248  24.210  24.210
   71   2HG   ARG  10          1HG       ARG  10  23.919  23.825  23.825
   72   1HD   ARG  10          2HD       ARG  10  24.017  22.306  22.306
   73   2HD   ARG  10          1HD       ARG  10  22.339  22.702  22.702
   74    HE   ARG  10           HE       ARG  10  23.776  25.137  25.137
   75   1HH1  ARG  10          2HH1      ARG  10  23.616  22.310  22.310
   76   2HH1  ARG  10          1HH1      ARG  10  24.148  23.143  23.143
   77   1HH2  ARG  10          1HH2      ARG  10  24.451  26.213  26.213
   78   2HH2  ARG  10          2HH2      ARG  10  24.628  25.388  25.388
   79    H    LEU  11           H        LEU  11  22.810  24.900  24.900
   80    HA   LEU  11           HA       LEU  11  25.318  24.404  24.404
   81   1HB   LEU  11          2HB       LEU  11  24.456  26.289  26.289
   82   2HB   LEU  11          1HB       LEU  11  25.117  27.177  27.177
   83    HG   LEU  11           HG       LEU  11  26.582  24.784  24.784
   84   1HD1  LEU  11          2HD1      LEU  11  26.832  27.716  27.716
   85   2HD1  LEU  11          1HD1      LEU  11  27.905  26.428  26.428
   86   3HD1  LEU  11          3HD1      LEU  11  26.221  26.420  26.420
   87   1HD2  LEU  11          1HD2      LEU  11  27.506  27.203  27.203
   88   2HD2  LEU  11          3HD2      LEU  11  27.322  25.571  25.571
   89   3HD2  LEU  11          2HD2      LEU  11  28.549  25.916  25.916
   90    H    MET  12           H        MET  12  22.335  24.802  24.802
   91    HA   MET  12           HA       MET  12  23.025  26.081  26.081
   92   1HB   MET  12          2HB       MET  12  21.948  27.718  27.718
   93   2HB   MET  12          1HB       MET  12  20.476  27.123  27.123
   94   1HG   MET  12          2HG       MET  12  21.205  27.859  27.859
   95   2HG   MET  12          1HG       MET  12  22.751  28.341  28.341
   96   1HE   MET  12          2HE       MET  12  18.940  28.896  28.896
   97   2HE   MET  12          1HE       MET  12  19.232  29.400  29.400
   98   3HE   MET  12          3HE       MET  12  18.796  30.578  30.578
   99    H    TYR  13           H        TYR  13  22.713  24.223  24.223
  100    HA   TYR  13           HA       TYR  13  20.275  22.592  22.592
  101   1HB   TYR  13          2HB       TYR  13  22.517  22.312  22.312
  102   2HB   TYR  13          1HB       TYR  13  21.376  21.067  21.067
  103    HD1  TYR  13           HD1      TYR  13  24.362  22.971  22.971
  104    HD2  TYR  13           HD2      TYR  13  21.632  19.911  19.911
  105    HE1  TYR  13           HE1      TYR  13  25.887  22.283  22.283
  106    HE2  TYR  13           HE2      TYR  13  23.161  19.226  19.226
  107    HH   TYR  13           HH       TYR  13  26.260  20.891  20.891
  108    H    ASP  14           H        ASP  14  19.400  24.877  24.877
  109    HA   ASP  14           HA       ASP  14  19.177  25.958  25.958
  110   1HB   ASP  14          2HB       ASP  14  16.973  26.907  26.907
  111   2HB   ASP  14          1HB       ASP  14  18.522  27.326  27.326
  112    H    CYS  15           H        CYS  15  17.584  23.245  23.245
  113    HA   CYS  15           HA       CYS  15  15.223  23.110  23.110
  114   1HB   CYS  15          2HB       CYS  15  16.906  20.708  20.708
  115   2HB   CYS  15          1HB       CYS  15  15.165  20.830  20.830
  116    H    CYS  16           H        CYS  16  14.653  22.375  22.375
  117    HA   CYS  16           HA       CYS  16  16.286  22.679  22.679
  118   1HB   CYS  16          2HB       CYS  16  13.809  20.967  20.967
  119   2HB   CYS  16          1HB       CYS  16  14.417  21.703  21.703
  120    H    THR  17           H        THR  17  15.324  19.774  19.774
  121    HA   THR  17           HA       THR  17  17.333  18.199  18.199
  122    HB   THR  17           HB       THR  17  15.006  17.000  17.000
  123    HG1  THR  17           HG1      THR  17  15.171  18.091  18.091
  124   1HG2  THR  17          2HG2      THR  17  16.547  16.104  16.104
  125   2HG2  THR  17          1HG2      THR  17  15.206  15.227  15.227
  126   3HG2  THR  17          3HG2      THR  17  16.724  15.366  15.366
  127    H    GLY  18           H        GLY  18  18.100  19.827  19.827
  128   1HA   GLY  18          2HA       GLY  18  19.220  19.906  19.906
  129   2HA   GLY  18          1HA       GLY  18  20.062  18.537  18.537
  130    H    SER  19           H        SER  19  16.761  18.800  18.800
  131    HA   SER  19           HA       SER  19  16.883  16.337  16.337
  132   1HB   SER  19          2HB       SER  19  14.860  18.033  18.033
  133   2HB   SER  19          1HB       SER  19  14.409  17.696  17.696
  134    HG   SER  19           HG       SER  19  14.580  16.015  16.015
  135    H    CYS  20           H        CYS  20  17.411  19.557  19.557
  136    HA   CYS  20           HA       CYS  20  16.524  20.290  20.290
  137   1HB   CYS  20          2HB       CYS  20  18.283  21.501  21.501
  138   2HB   CYS  20          1HB       CYS  20  19.463  20.350  20.350
  139    H    ARG  21           H        ARG  21  16.260  19.549  19.549
  140    HA   ARG  21           HA       ARG  21  18.070  17.474  17.474
  141   1HB   ARG  21          2HB       ARG  21  15.604  16.841  16.841
  142   2HB   ARG  21          1HB       ARG  21  15.141  17.890  17.890
  143   1HG   ARG  21          2HG       ARG  21  16.768  16.511  16.511
  144   2HG   ARG  21          1HG       ARG  21  16.822  15.365  15.365
  145   1HD   ARG  21          2HD       ARG  21  14.412  14.989  14.989
  146   2HD   ARG  21          1HD       ARG  21  14.229  16.298  16.298
  147    HE   ARG  21           HE       ARG  21  16.106  14.367  14.367
  148   1HH1  ARG  21          1HH2      ARG  21  12.731  14.881  14.881
  149   2HH1  ARG  21          2HH2      ARG  21  12.230  13.806  13.806
  150   1HH2  ARG  21          2HH1      ARG  21  15.498  13.000  13.000
  151   2HH2  ARG  21          1HH1      ARG  21  13.819  12.725  12.725
  152    H    SER  22           H        SER  22  19.129  19.566  19.566
  153    HA   SER  22           HA       SER  22  19.854  21.320  21.320
  154   1HB   SER  22          2HB       SER  22  20.131  20.628  20.628
  155   2HB   SER  22          1HB       SER  22  20.461  19.260  19.260
  156    HG   SER  22           HG       SER  22  17.904  19.824  19.824
  157    H    GLY  23           H        GLY  23  17.289  21.618  21.618
  158   1HA   GLY  23          2HA       GLY  23  16.291  23.932  23.932
  159   2HA   GLY  23          1HA       GLY  23  15.812  22.981  22.981
  160    H    LYS  24           H        LYS  24  15.336  20.672  20.672
  161    HA   LYS  24           HA       LYS  24  12.728  21.705  21.705
  162   1HB   LYS  24          2HB       LYS  24  12.567  20.308  20.308
  163   2HB   LYS  24          1HB       LYS  24  13.069  18.934  18.934
  164   1HG   LYS  24          2HG       LYS  24  11.104  19.646  19.646
  165   2HG   LYS  24          1HG       LYS  24  10.553  20.615  20.615
  166   1HD   LYS  24          2HD       LYS  24  10.808  18.374  18.374
  167   2HD   LYS  24          1HD       LYS  24  10.820  17.599  17.599
  168   1HE   LYS  24          2HE       LYS  24   8.612  19.395  19.395
  169   2HE   LYS  24          1HE       LYS  24   8.520  17.655  17.655
  170   1HZ   LYS  24          3HZ       LYS  24   9.138  18.276  18.276
  171   2HZ   LYS  24          2HZ       LYS  24   8.488  19.784  19.784
  172   3HZ   LYS  24          1HZ       LYS  24   7.533  18.384  18.384
  173    H    CYS  25           H        CYS  25  12.771  21.513  21.513
  174    HA   CYS  25           HA       CYS  25  14.689  19.867  19.867
  175   1HB   CYS  25          2HB       CYS  25  12.223  21.362  21.362
  176   2HB   CYS  25          1HB       CYS  25  13.140  20.436  20.436
  177   1HN   NH2  26          1HT       CYS  25  14.468  17.683  17.683
  178   2HN   NH2  26          2HT       CYS  25  13.158  16.704  16.704

  Start of MODEL   11
    1   1H    CYS   1          2H        CYS   1  14.709  28.651  28.651
    2   2H    CYS   1          1H        CYS   1  13.895  27.565  27.565
    3   3H    CYS   1          3H        CYS   1  15.555  27.849  27.849
    4    HA   CYS   1           HA       CYS   1  16.045  26.845  26.845
    5   1HB   CYS   1          2HB       CYS   1  15.871  24.668  24.668
    6   2HB   CYS   1          1HB       CYS   1  15.519  25.494  25.494
    7    H    LYS   2           H        LYS   2  14.700  24.759  24.759
    8    HA   LYS   2           HA       LYS   2  12.236  25.916  25.916
    9   1HB   LYS   2          2HB       LYS   2  14.791  25.018  25.018
   10   2HB   LYS   2          1HB       LYS   2  13.305  24.627  24.627
   11   1HG   LYS   2          2HG       LYS   2  12.637  27.090  27.090
   12   2HG   LYS   2          1HG       LYS   2  14.252  27.393  27.393
   13   1HD   LYS   2          2HD       LYS   2  15.238  27.184  27.184
   14   2HD   LYS   2          1HD       LYS   2  14.143  25.931  25.931
   15   1HE   LYS   2          2HE       LYS   2  12.731  27.464  27.464
   16   2HE   LYS   2          1HE       LYS   2  12.862  28.597  28.597
   17   1HZ   LYS   2          1HZ       LYS   2  15.144  28.180  28.180
   18   2HZ   LYS   2          3HZ       LYS   2  13.865  29.192  29.192
   19   3HZ   LYS   2          2HZ       LYS   2  14.748  29.534  29.534
   20    H    GLY   3           H        GLY   3  10.629  24.621  24.621
   21   1HA   GLY   3          2HA       GLY   3  10.648  21.970  21.970
   22   2HA   GLY   3          1HA       GLY   3   9.256  22.769  22.769
   23    H    LYS   4           H        LYS   4   9.929  20.049  20.049
   24    HA   LYS   4           HA       LYS   4  11.260  19.486  19.486
   25   1HB   LYS   4          2HB       LYS   4   9.252  17.924  17.924
   26   2HB   LYS   4          1HB       LYS   4   9.974  17.264  17.264
   27   1HG   LYS   4          2HG       LYS   4  11.629  16.519  16.519
   28   2HG   LYS   4          1HG       LYS   4  12.245  18.147  18.147
   29   1HD   LYS   4          2HD       LYS   4  12.162  18.066  18.066
   30   2HD   LYS   4          1HD       LYS   4  10.501  18.557  18.557
   31   1HE   LYS   4          2HE       LYS   4  11.361  15.635  15.635
   32   2HE   LYS   4          1HE       LYS   4  10.797  16.567  16.567
   33   1HZ   LYS   4          2HZ       LYS   4   9.262  16.084  16.084
   34   2HZ   LYS   4          1HZ       LYS   4   9.026  15.290  15.290
   35   3HZ   LYS   4          3HZ       LYS   4   8.720  16.956  16.956
   36    H    GLY   5           H        GLY   5  10.563  20.765  20.765
   37   1HA   GLY   5          2HA       GLY   5   9.046  20.297  20.297
   38   2HA   GLY   5          1HA       GLY   5   7.735  20.715  20.715
   39    H    ALA   6           H        ALA   6  10.711  22.257  22.257
   40    HA   ALA   6           HA       ALA   6   9.631  24.874  24.874
   41   1HB   ALA   6          3HB       ALA   6  11.983  24.126  24.126
   42   2HB   ALA   6          2HB       ALA   6  11.478  25.780  25.780
   43   3HB   ALA   6          1HB       ALA   6  10.424  24.699  24.699
   44    H    LYS   7           H        LYS   7  11.010  26.365  26.365
   45    HA   LYS   7           HA       LYS   7  12.461  25.131  25.131
   46   1HB   LYS   7          2HB       LYS   7  11.014  27.145  27.145
   47   2HB   LYS   7          1HB       LYS   7  12.087  28.061  28.061
   48   1HG   LYS   7          2HG       LYS   7  13.789  26.933  26.933
   49   2HG   LYS   7          1HG       LYS   7  12.344  27.388  27.388
   50   1HD   LYS   7          2HD       LYS   7  13.751  29.300  29.300
   51   2HD   LYS   7          1HD       LYS   7  14.203  29.177  29.177
   52   1HE   LYS   7          2HE       LYS   7  11.366  29.804  29.804
   53   2HE   LYS   7          1HE       LYS   7  12.535  31.017  31.017
   54   1HZ   LYS   7          1HZ       LYS   7  12.707  29.714  29.714
   55   2HZ   LYS   7          3HZ       LYS   7  11.306  28.895  28.895
   56   3HZ   LYS   7          2HZ       LYS   7  11.265  30.575  30.575
   57    H    CYS   8           H        CYS   8  14.123  24.082  24.082
   58    HA   CYS   8           HA       CYS   8  16.060  25.651  25.651
   59   1HB   CYS   8          2HB       CYS   8  17.026  23.653  23.653
   60   2HB   CYS   8          1HB       CYS   8  15.360  23.227  23.227
   61    H    SER   9           H        SER   9  18.464  24.344  24.344
   62    HA   SER   9           HA       SER   9  18.799  24.840  24.840
   63   1HB   SER   9          2HB       SER   9  20.779  26.541  26.541
   64   2HB   SER   9          1HB       SER   9  19.846  26.919  26.919
   65    HG   SER   9           HG       SER   9  18.076  27.360  27.360
   66    H    ARG  10           H        ARG  10  20.827  24.122  24.122
   67    HA   ARG  10           HA       ARG  10  21.884  21.837  21.837
   68   1HB   ARG  10          2HB       ARG  10  22.974  23.630  23.630
   69   2HB   ARG  10          1HB       ARG  10  23.870  22.225  22.225
   70   1HG   ARG  10          2HG       ARG  10  21.925  20.777  20.777
   71   2HG   ARG  10          1HG       ARG  10  21.023  22.180  22.180
   72   1HD   ARG  10          2HD       ARG  10  21.900  21.220  21.220
   73   2HD   ARG  10          1HD       ARG  10  23.020  22.542  22.542
   74    HE   ARG  10           HE       ARG  10  24.157  20.423  20.423
   75   1HH1  ARG  10          2HH1      ARG  10  23.005  20.909  20.909
   76   2HH1  ARG  10          1HH1      ARG  10  24.135  19.792  19.792
   77   1HH2  ARG  10          1HH2      ARG  10  25.599  19.012  19.012
   78   2HH2  ARG  10          2HH2      ARG  10  25.625  18.704  18.704
   79    H    LEU  11           H        LEU  11  22.920  25.145  25.145
   80    HA   LEU  11           HA       LEU  11  25.199  24.558  24.558
   81   1HB   LEU  11          2HB       LEU  11  25.133  26.164  26.164
   82   2HB   LEU  11          1HB       LEU  11  24.549  27.330  27.330
   83    HG   LEU  11           HG       LEU  11  26.644  26.598  26.598
   84   1HD1  LEU  11          2HD1      LEU  11  27.212  24.610  24.610
   85   2HD1  LEU  11          1HD1      LEU  11  27.529  25.685  25.685
   86   3HD1  LEU  11          3HD1      LEU  11  28.539  25.753  25.753
   87   1HD2  LEU  11          1HD2      LEU  11  26.968  28.163  28.163
   88   2HD2  LEU  11          3HD2      LEU  11  26.430  28.822  28.822
   89   3HD2  LEU  11          2HD2      LEU  11  28.074  28.232  28.232
   90    H    MET  12           H        MET  12  22.224  24.662  24.662
   91    HA   MET  12           HA       MET  12  22.616  26.031  26.031
   92   1HB   MET  12          2HB       MET  12  20.517  26.898  26.898
   93   2HB   MET  12          1HB       MET  12  20.308  27.182  27.182
   94   1HG   MET  12          2HG       MET  12  22.772  28.199  28.199
   95   2HG   MET  12          1HG       MET  12  22.231  28.454  28.454
   96   1HE   MET  12          2HE       MET  12  19.461  29.342  29.342
   97   2HE   MET  12          1HE       MET  12  19.507  31.053  31.053
   98   3HE   MET  12          3HE       MET  12  20.760  30.368  30.368
   99    H    TYR  13           H        TYR  13  22.435  24.193  24.193
  100    HA   TYR  13           HA       TYR  13  20.073  22.414  22.414
  101   1HB   TYR  13          2HB       TYR  13  22.560  22.262  22.262
  102   2HB   TYR  13          1HB       TYR  13  21.315  21.019  21.019
  103    HD1  TYR  13           HD2      TYR  13  24.001  22.678  22.678
  104    HD2  TYR  13           HD1      TYR  13  21.100  19.557  19.557
  105    HE1  TYR  13           HE2      TYR  13  25.065  21.707  21.707
  106    HE2  TYR  13           HE1      TYR  13  22.166  18.591  18.591
  107    HH   TYR  13           HH       TYR  13  24.980  20.127  20.127
  108    H    ASP  14           H        ASP  14  19.344  24.775  24.775
  109    HA   ASP  14           HA       ASP  14  19.132  25.875  25.875
  110   1HB   ASP  14          2HB       ASP  14  16.920  26.845  26.845
  111   2HB   ASP  14          1HB       ASP  14  18.486  27.269  27.269
  112    H    CYS  15           H        CYS  15  17.531  23.151  23.151
  113    HA   CYS  15           HA       CYS  15  15.170  23.157  23.157
  114   1HB   CYS  15          2HB       CYS  15  16.617  20.619  20.619
  115   2HB   CYS  15          1HB       CYS  15  14.911  20.951  20.951
  116    H    CYS  16           H        CYS  16  14.649  22.298  22.298
  117    HA   CYS  16           HA       CYS  16  16.455  22.637  22.637
  118   1HB   CYS  16          2HB       CYS  16  13.854  21.249  21.249
  119   2HB   CYS  16          1HB       CYS  16  14.732  20.886  20.886
  120    H    THR  17           H        THR  17  15.676  19.740  19.740
  121    HA   THR  17           HA       THR  17  17.886  18.312  18.312
  122    HB   THR  17           HB       THR  17  15.591  17.382  17.382
  123    HG1  THR  17           HG1      THR  17  16.153  15.263  15.263
  124   1HG2  THR  17          1HG2      THR  17  15.540  16.727  16.727
  125   2HG2  THR  17          3HG2      THR  17  14.368  16.191  16.191
  126   3HG2  THR  17          2HG2      THR  17  14.487  17.892  17.892
  127    H    GLY  18           H        GLY  18  18.474  19.861  19.861
  128   1HA   GLY  18          2HA       GLY  18  19.508  19.835  19.835
  129   2HA   GLY  18          1HA       GLY  18  20.298  18.413  18.413
  130    H    SER  19           H        SER  19  16.993  18.949  18.949
  131    HA   SER  19           HA       SER  19  16.646  16.485  16.485
  132   1HB   SER  19          2HB       SER  19  15.068  18.374  18.374
  133   2HB   SER  19          1HB       SER  19  14.348  18.258  18.258
  134    HG   SER  19           HG       SER  19  13.831  16.589  16.589
  135    H    CYS  20           H        CYS  20  17.544  19.571  19.571
  136    HA   CYS  20           HA       CYS  20  16.399  20.221  20.221
  137   1HB   CYS  20          2HB       CYS  20  18.158  21.558  21.558
  138   2HB   CYS  20          1HB       CYS  20  19.354  20.398  20.398
  139    H    ARG  21           H        ARG  21  16.223  19.465  19.465
  140    HA   ARG  21           HA       ARG  21  18.022  17.281  17.281
  141   1HB   ARG  21          2HB       ARG  21  15.040  17.704  17.704
  142   2HB   ARG  21          1HB       ARG  21  16.030  16.511  16.511
  143   1HG   ARG  21          2HG       ARG  21  16.063  15.083  15.083
  144   2HG   ARG  21          1HG       ARG  21  16.240  16.355  16.355
  145   1HD   ARG  21          2HD       ARG  21  14.030  15.093  15.093
  146   2HD   ARG  21          1HD       ARG  21  13.849  16.829  16.829
  147    HE   ARG  21           HE       ARG  21  13.793  15.009  15.009
  148   1HH1  ARG  21          1HH2      ARG  21  12.260  17.456  17.456
  149   2HH1  ARG  21          2HH2      ARG  21  10.993  17.697  17.697
  150   1HH2  ARG  21          2HH1      ARG  21  12.198  15.327  15.327
  151   2HH2  ARG  21          1HH1      ARG  21  10.951  16.490  16.490
  152    H    SER  22           H        SER  22  19.182  19.221  19.221
  153    HA   SER  22           HA       SER  22  20.038  20.791  20.791
  154   1HB   SER  22          2HB       SER  22  18.698  18.875  18.875
  155   2HB   SER  22          1HB       SER  22  19.958  20.041  20.041
  156    HG   SER  22           HG       SER  22  20.168  18.093  18.093
  157    H    GLY  23           H        GLY  23  17.417  21.310  21.310
  158   1HA   GLY  23          2HA       GLY  23  16.687  23.740  23.740
  159   2HA   GLY  23          1HA       GLY  23  16.143  22.902  22.902
  160    H    LYS  24           H        LYS  24  15.436  20.593  20.593
  161    HA   LYS  24           HA       LYS  24  12.853  21.792  21.792
  162   1HB   LYS  24          2HB       LYS  24  12.825  20.277  20.277
  163   2HB   LYS  24          1HB       LYS  24  13.112  18.949  18.949
  164   1HG   LYS  24          2HG       LYS  24  10.744  19.054  19.054
  165   2HG   LYS  24          1HG       LYS  24  11.047  19.731  19.731
  166   1HD   LYS  24          2HD       LYS  24  11.167  21.797  21.797
  167   2HD   LYS  24          1HD       LYS  24   9.640  20.945  20.945
  168   1HE   LYS  24          2HE       LYS  24   8.937  21.879  21.879
  169   2HE   LYS  24          1HE       LYS  24  10.504  21.705  21.705
  170   1HZ   LYS  24          2HZ       LYS  24   9.883  23.749  23.749
  171   2HZ   LYS  24          1HZ       LYS  24   9.865  24.017  24.017
  172   3HZ   LYS  24          3HZ       LYS  24  11.314  23.599  23.599
  173    H    CYS  25           H        CYS  25  12.802  21.703  21.703
  174    HA   CYS  25           HA       CYS  25  14.562  19.904  19.904
  175   1HB   CYS  25          2HB       CYS  25  12.324  21.769  21.769
  176   2HB   CYS  25          1HB       CYS  25  13.046  20.720  20.720
  177   1HN   NH2  26          1HT       CYS  25  14.121  17.889  17.889
  178   2HN   NH2  26          2HT       CYS  25  12.663  17.045  17.045

  Start of MODEL   12
    1   1H    CYS   1          1H        CYS   1  14.043  27.659  27.659
    2   2H    CYS   1          3H        CYS   1  15.681  28.094  28.094
    3   3H    CYS   1          2H        CYS   1  14.677  28.830  28.830
    4    HA   CYS   1           HA       CYS   1  16.057  27.209  27.209
    5   1HB   CYS   1          2HB       CYS   1  15.829  24.832  24.832
    6   2HB   CYS   1          1HB       CYS   1  16.515  25.811  25.811
    7    H    LYS   2           H        LYS   2  14.981  25.073  25.073
    8    HA   LYS   2           HA       LYS   2  12.293  25.978  25.978
    9   1HB   LYS   2          2HB       LYS   2  14.725  24.929  24.929
   10   2HB   LYS   2          1HB       LYS   2  13.180  24.463  24.463
   11   1HG   LYS   2          2HG       LYS   2  13.811  26.465  26.465
   12   2HG   LYS   2          1HG       LYS   2  12.522  26.912  26.912
   13   1HD   LYS   2          2HD       LYS   2  15.150  27.181  27.181
   14   2HD   LYS   2          1HD       LYS   2  15.118  28.057  28.057
   15   1HE   LYS   2          2HE       LYS   2  12.780  28.395  28.395
   16   2HE   LYS   2          1HE       LYS   2  14.282  29.242  29.242
   17   1HZ   LYS   2          3HZ       LYS   2  14.215  30.159  30.159
   18   2HZ   LYS   2          2HZ       LYS   2  12.750  29.355  29.355
   19   3HZ   LYS   2          1HZ       LYS   2  12.825  30.571  30.571
   20    H    GLY   3           H        GLY   3  10.658  24.711  24.711
   21   1HA   GLY   3          2HA       GLY   3  10.831  22.109  22.109
   22   2HA   GLY   3          1HA       GLY   3   9.356  22.923  22.923
   23    H    LYS   4           H        LYS   4   9.101  20.475  20.475
   24    HA   LYS   4           HA       LYS   4  10.349  19.231  19.231
   25   1HB   LYS   4          2HB       LYS   4   8.543  17.662  17.662
   26   2HB   LYS   4          1HB       LYS   4   8.785  18.179  18.179
   27   1HG   LYS   4          2HG       LYS   4   6.588  19.230  19.230
   28   2HG   LYS   4          1HG       LYS   4   6.380  18.021  18.021
   29   1HD   LYS   4          2HD       LYS   4   7.271  19.782  19.782
   30   2HD   LYS   4          1HD       LYS   4   7.050  20.958  20.958
   31   1HE   LYS   4          2HE       LYS   4   5.002  21.042  21.042
   32   2HE   LYS   4          1HE       LYS   4   4.619  20.017  20.017
   33   1HZ   LYS   4          1HZ       LYS   4   5.231  18.102  18.102
   34   2HZ   LYS   4          3HZ       LYS   4   5.204  19.206  19.206
   35   3HZ   LYS   4          2HZ       LYS   4   3.796  18.925  18.925
   36    H    GLY   5           H        GLY   5  10.112  19.179  19.179
   37   1HA   GLY   5          2HA       GLY   5   9.567  19.772  19.772
   38   2HA   GLY   5          1HA       GLY   5   7.938  20.078  20.078
   39    H    ALA   6           H        ALA   6  10.368  21.884  21.884
   40    HA   ALA   6           HA       ALA   6   9.351  24.367  24.367
   41   1HB   ALA   6          1HB       ALA   6  11.432  23.891  23.891
   42   2HB   ALA   6          3HB       ALA   6  10.803  25.468  25.468
   43   3HB   ALA   6          2HB       ALA   6   9.740  24.273  24.273
   44    H    LYS   7           H        LYS   7  10.633  25.919  25.919
   45    HA   LYS   7           HA       LYS   7  12.487  25.004  25.004
   46   1HB   LYS   7          2HB       LYS   7  11.839  27.810  27.810
   47   2HB   LYS   7          1HB       LYS   7  12.841  27.482  27.482
   48   1HG   LYS   7          2HG       LYS   7  10.670  25.936  25.936
   49   2HG   LYS   7          1HG       LYS   7   9.879  27.145  27.145
   50   1HD   LYS   7          2HD       LYS   7  10.818  28.947  28.947
   51   2HD   LYS   7          1HD       LYS   7  11.660  27.752  27.752
   52   1HE   LYS   7          2HE       LYS   7   9.430  26.718  26.718
   53   2HE   LYS   7          1HE       LYS   7   8.640  28.024  28.024
   54   1HZ   LYS   7          2HZ       LYS   7   9.993  29.541  29.541
   55   2HZ   LYS   7          1HZ       LYS   7  10.240  28.166  28.166
   56   3HZ   LYS   7          3HZ       LYS   7   8.664  28.730  28.730
   57    H    CYS   8           H        CYS   8  14.147  23.979  23.979
   58    HA   CYS   8           HA       CYS   8  15.858  25.218  25.218
   59   1HB   CYS   8          2HB       CYS   8  16.757  23.153  23.153
   60   2HB   CYS   8          1HB       CYS   8  15.100  22.815  22.815
   61    H    SER   9           H        SER   9  18.263  24.319  24.319
   62    HA   SER   9           HA       SER   9  19.256  24.865  24.865
   63   1HB   SER   9          2HB       SER   9  20.845  26.622  26.622
   64   2HB   SER   9          1HB       SER   9  19.872  27.023  27.023
   65    HG   SER   9           HG       SER   9  18.809  26.684  26.684
   66    H    ARG  10           H        ARG  10  20.825  23.620  23.620
   67    HA   ARG  10           HA       ARG  10  22.007  22.037  22.037
   68   1HB   ARG  10          2HB       ARG  10  22.470  22.164  22.164
   69   2HB   ARG  10          1HB       ARG  10  23.451  21.138  21.138
   70   1HG   ARG  10          2HG       ARG  10  21.356  20.037  20.037
   71   2HG   ARG  10          1HG       ARG  10  20.415  21.014  21.014
   72   1HD   ARG  10          2HD       ARG  10  21.512  19.993  19.993
   73   2HD   ARG  10          1HD       ARG  10  22.657  19.144  19.144
   74    HE   ARG  10           HE       ARG  10  20.135  18.346  18.346
   75   1HH1  ARG  10          2HH1      ARG  10  21.919  18.284  18.284
   76   2HH1  ARG  10          1HH1      ARG  10  21.151  16.838  16.838
   77   1HH2  ARG  10          1HH2      ARG  10  19.145  16.519  16.519
   78   2HH2  ARG  10          2HH2      ARG  10  19.556  15.823  15.823
   79    H    LEU  11           H        LEU  11  22.695  24.962  24.962
   80    HA   LEU  11           HA       LEU  11  25.578  25.003  25.003
   81   1HB   LEU  11          2HB       LEU  11  23.478  27.098  27.098
   82   2HB   LEU  11          1HB       LEU  11  25.130  27.565  27.565
   83    HG   LEU  11           HG       LEU  11  25.890  25.923  25.923
   84   1HD1  LEU  11          1HD1      LEU  11  22.874  25.785  25.785
   85   2HD1  LEU  11          3HD1      LEU  11  23.978  25.493  25.493
   86   3HD1  LEU  11          2HD1      LEU  11  24.025  24.461  24.461
   87   1HD2  LEU  11          3HD2      LEU  11  25.740  28.383  28.383
   88   2HD2  LEU  11          2HD2      LEU  11  25.335  27.500  27.500
   89   3HD2  LEU  11          1HD2      LEU  11  24.061  28.212  28.212
   90    H    MET  12           H        MET  12  22.835  25.358  25.358
   91    HA   MET  12           HA       MET  12  24.421  25.866  25.866
   92   1HB   MET  12          2HB       MET  12  23.099  28.051  28.051
   93   2HB   MET  12          1HB       MET  12  24.362  28.181  28.181
   94   1HG   MET  12          2HG       MET  12  22.740  28.028  28.028
   95   2HG   MET  12          1HG       MET  12  21.454  27.683  27.683
   96   1HE   MET  12          2HE       MET  12  24.157  30.218  30.218
   97   2HE   MET  12          1HE       MET  12  22.932  30.252  30.252
   98   3HE   MET  12          3HE       MET  12  23.204  31.663  31.663
   99    H    TYR  13           H        TYR  13  22.964  23.795  23.795
  100    HA   TYR  13           HA       TYR  13  20.630  22.894  22.894
  101   1HB   TYR  13          2HB       TYR  13  22.628  22.444  22.444
  102   2HB   TYR  13          1HB       TYR  13  21.228  21.413  21.413
  103    HD1  TYR  13           HD1      TYR  13  21.027  20.166  20.166
  104    HD2  TYR  13           HD2      TYR  13  24.546  22.358  22.358
  105    HE1  TYR  13           HE1      TYR  13  22.246  18.984  18.984
  106    HE2  TYR  13           HE2      TYR  13  25.764  21.176  21.176
  107    HH   TYR  13           HH       TYR  13  25.681  19.635  19.635
  108    H    ASP  14           H        ASP  14  19.654  24.942  24.942
  109    HA   ASP  14           HA       ASP  14  18.898  26.342  26.342
  110   1HB   ASP  14          2HB       ASP  14  17.863  25.907  25.907
  111   2HB   ASP  14          1HB       ASP  14  16.623  26.427  26.427
  112    H    CYS  15           H        CYS  15  17.779  23.267  23.267
  113    HA   CYS  15           HA       CYS  15  15.378  23.048  23.048
  114   1HB   CYS  15          2HB       CYS  15  17.321  20.847  20.847
  115   2HB   CYS  15          1HB       CYS  15  15.622  20.667  20.667
  116    H    CYS  16           H        CYS  16  14.909  22.424  22.424
  117    HA   CYS  16           HA       CYS  16  16.599  22.950  22.950
  118   1HB   CYS  16          2HB       CYS  16  14.204  21.109  21.109
  119   2HB   CYS  16          1HB       CYS  16  14.836  21.934  21.934
  120    H    THR  17           H        THR  17  15.739  19.901  19.901
  121    HA   THR  17           HA       THR  17  17.939  18.559  18.559
  122    HB   THR  17           HB       THR  17  15.489  17.148  17.148
  123    HG1  THR  17           HG1      THR  17  14.490  17.605  17.605
  124   1HG2  THR  17          1HG2      THR  17  17.417  16.458  16.458
  125   2HG2  THR  17          3HG2      THR  17  16.011  15.506  15.506
  126   3HG2  THR  17          2HG2      THR  17  17.371  15.614  15.614
  127    H    GLY  18           H        GLY  18  18.436  20.015  20.015
  128   1HA   GLY  18          2HA       GLY  18  19.367  19.946  19.946
  129   2HA   GLY  18          1HA       GLY  18  20.297  18.646  18.646
  130    H    SER  19           H        SER  19  16.906  18.796  18.796
  131    HA   SER  19           HA       SER  19  16.936  16.214  16.214
  132   1HB   SER  19          2HB       SER  19  14.991  18.015  18.015
  133   2HB   SER  19          1HB       SER  19  14.436  17.493  17.493
  134    HG   SER  19           HG       SER  19  14.757  15.372  15.372
  135    H    CYS  20           H        CYS  20  17.438  19.323  19.323
  136    HA   CYS  20           HA       CYS  20  16.399  20.000  20.000
  137   1HB   CYS  20          2HB       CYS  20  18.449  20.947  20.947
  138   2HB   CYS  20          1HB       CYS  20  19.403  19.882  19.882
  139    H    ARG  21           H        ARG  21  15.895  19.208  19.208
  140    HA   ARG  21           HA       ARG  21  17.526  17.057  17.057
  141   1HB   ARG  21          2HB       ARG  21  14.492  17.497  17.497
  142   2HB   ARG  21          1HB       ARG  21  15.413  16.276  16.276
  143   1HG   ARG  21          2HG       ARG  21  16.217  15.650  15.650
  144   2HG   ARG  21          1HG       ARG  21  14.689  16.402  16.402
  145   1HD   ARG  21          2HD       ARG  21  14.982  14.148  14.148
  146   2HD   ARG  21          1HD       ARG  21  14.468  13.936  13.936
  147    HE   ARG  21           HE       ARG  21  12.805  15.919  15.919
  148   1HH1  ARG  21          1HH2      ARG  21  13.532  12.545  12.545
  149   2HH1  ARG  21          2HH2      ARG  21  11.949  12.139  12.139
  150   1HH2  ARG  21          2HH1      ARG  21  10.788  15.425  15.425
  151   2HH2  ARG  21          1HH1      ARG  21  10.371  13.793  13.793
  152    H    SER  22           H        SER  22  18.593  19.036  19.036
  153    HA   SER  22           HA       SER  22  19.258  20.667  20.667
  154   1HB   SER  22          2HB       SER  22  18.665  18.386  18.386
  155   2HB   SER  22          1HB       SER  22  17.589  19.533  19.533
  156    HG   SER  22           HG       SER  22  19.442  20.980  20.980
  157    H    GLY  23           H        GLY  23  16.735  21.064  21.064
  158   1HA   GLY  23          2HA       GLY  23  15.954  23.556  23.556
  159   2HA   GLY  23          1HA       GLY  23  15.253  22.896  22.896
  160    H    LYS  24           H        LYS  24  14.789  20.360  20.360
  161    HA   LYS  24           HA       LYS  24  12.319  21.497  21.497
  162   1HB   LYS  24          2HB       LYS  24  12.650  18.946  18.946
  163   2HB   LYS  24          1HB       LYS  24  11.283  19.174  19.174
  164   1HG   LYS  24          2HG       LYS  24  12.006  21.197  21.197
  165   2HG   LYS  24          1HG       LYS  24  10.932  19.849  19.849
  166   1HD   LYS  24          2HD       LYS  24   9.250  20.644  20.644
  167   2HD   LYS  24          1HD       LYS  24  10.343  21.658  21.658
  168   1HE   LYS  24          2HE       LYS  24   9.659  22.190  22.190
  169   2HE   LYS  24          1HE       LYS  24   8.817  22.933  22.933
  170   1HZ   LYS  24          3HZ       LYS  24  11.019  23.737  23.737
  171   2HZ   LYS  24          2HZ       LYS  24  11.676  23.205  23.205
  172   3HZ   LYS  24          1HZ       LYS  24  10.484  24.415  24.415
  173    H    CYS  25           H        CYS  25  12.429  21.229  21.229
  174    HA   CYS  25           HA       CYS  25  14.467  19.621  19.621
  175   1HB   CYS  25          2HB       CYS  25  12.047  21.071  21.071
  176   2HB   CYS  25          1HB       CYS  25  13.095  20.218  20.218
  177   1HN   NH2  26          1HT       CYS  25  14.110  17.448  17.448
  178   2HN   NH2  26          2HT       CYS  25  12.914  16.446  16.446

  Start of MODEL   13
    1   1H    CYS   1          2H        CYS   1  13.953  27.487  27.487
    2   2H    CYS   1          1H        CYS   1  15.603  27.781  27.781
    3   3H    CYS   1          3H        CYS   1  14.771  28.671  28.671
    4    HA   CYS   1           HA       CYS   1  16.112  27.036  27.036
    5   1HB   CYS   1          2HB       CYS   1  15.630  24.625  24.625
    6   2HB   CYS   1          1HB       CYS   1  16.370  25.462  25.462
    7    H    LYS   2           H        LYS   2  15.015  25.090  25.090
    8    HA   LYS   2           HA       LYS   2  12.479  26.273  26.273
    9   1HB   LYS   2          2HB       LYS   2  14.877  25.009  25.009
   10   2HB   LYS   2          1HB       LYS   2  13.340  24.724  24.724
   11   1HG   LYS   2          2HG       LYS   2  13.948  27.557  27.557
   12   2HG   LYS   2          1HG       LYS   2  14.872  26.906  26.906
   13   1HD   LYS   2          2HD       LYS   2  12.826  26.375  26.375
   14   2HD   LYS   2          1HD       LYS   2  11.838  26.845  26.845
   15   1HE   LYS   2          2HE       LYS   2  11.832  28.718  28.718
   16   2HE   LYS   2          1HE       LYS   2  12.868  29.183  29.183
   17   1HZ   LYS   2          1HZ       LYS   2  14.553  27.934  27.934
   18   2HZ   LYS   2          3HZ       LYS   2  13.509  28.792  28.792
   19   3HZ   LYS   2          2HZ       LYS   2  14.373  29.612  29.612
   20    H    GLY   3           H        GLY   3  10.755  25.099  25.099
   21   1HA   GLY   3          2HA       GLY   3  10.317  22.665  22.665
   22   2HA   GLY   3          1HA       GLY   3   9.158  23.443  23.443
   23    H    LYS   4           H        LYS   4   9.449  20.681  20.681
   24    HA   LYS   4           HA       LYS   4  11.127  19.644  19.644
   25   1HB   LYS   4          2HB       LYS   4   8.769  18.499  18.499
   26   2HB   LYS   4          1HB       LYS   4   9.568  17.573  17.573
   27   1HG   LYS   4          2HG       LYS   4  11.063  18.796  18.796
   28   2HG   LYS   4          1HG       LYS   4  10.403  17.178  17.178
   29   1HD   LYS   4          2HD       LYS   4  12.342  18.051  18.051
   30   2HD   LYS   4          1HD       LYS   4  12.893  17.422  17.422
   31   1HE   LYS   4          2HE       LYS   4  12.426  15.277  15.277
   32   2HE   LYS   4          1HE       LYS   4  10.816  15.676  15.676
   33   1HZ   LYS   4          2HZ       LYS   4  12.672  16.733  16.733
   34   2HZ   LYS   4          1HZ       LYS   4  13.096  15.122  15.122
   35   3HZ   LYS   4          3HZ       LYS   4  11.537  15.495  15.495
   36    H    GLY   5           H        GLY   5  10.883  20.114  20.114
   37   1HA   GLY   5          2HA       GLY   5   9.796  19.726  19.726
   38   2HA   GLY   5          1HA       GLY   5   8.226  19.971  19.971
   39    H    ALA   6           H        ALA   6  10.703  22.066  22.066
   40    HA   ALA   6           HA       ALA   6   9.439  24.354  24.354
   41   1HB   ALA   6          1HB       ALA   6   9.826  24.345  24.345
   42   2HB   ALA   6          3HB       ALA   6  11.552  24.387  24.387
   43   3HB   ALA   6          2HB       ALA   6  10.524  25.720  25.720
   44    H    LYS   7           H        LYS   7  10.858  26.039  26.039
   45    HA   LYS   7           HA       LYS   7  12.680  25.020  25.020
   46   1HB   LYS   7          2HB       LYS   7  12.011  27.819  27.819
   47   2HB   LYS   7          1HB       LYS   7  13.234  27.558  27.558
   48   1HG   LYS   7          2HG       LYS   7  11.414  26.139  26.139
   49   2HG   LYS   7          1HG       LYS   7  10.273  26.901  26.901
   50   1HD   LYS   7          2HD       LYS   7  10.948  29.134  29.134
   51   2HD   LYS   7          1HD       LYS   7  12.203  28.437  28.437
   52   1HE   LYS   7          2HE       LYS   7   9.228  27.847  27.847
   53   2HE   LYS   7          1HE       LYS   7  10.126  29.004  29.004
   54   1HZ   LYS   7          3HZ       LYS   7  11.621  27.158  27.158
   55   2HZ   LYS   7          2HZ       LYS   7  10.570  26.085  26.085
   56   3HZ   LYS   7          1HZ       LYS   7  10.022  26.975  26.975
   57    H    CYS   8           H        CYS   8  14.470  24.059  24.059
   58    HA   CYS   8           HA       CYS   8  16.198  25.278  25.278
   59   1HB   CYS   8          2HB       CYS   8  16.984  23.214  23.214
   60   2HB   CYS   8          1HB       CYS   8  15.370  22.839  22.839
   61    H    SER   9           H        SER   9  18.610  24.101  24.101
   62    HA   SER   9           HA       SER   9  19.269  24.786  24.786
   63   1HB   SER   9          2HB       SER   9  21.172  26.413  26.413
   64   2HB   SER   9          1HB       SER   9  19.883  26.984  26.984
   65    HG   SER   9           HG       SER   9  19.739  27.805  27.805
   66    H    ARG  10           H        ARG  10  21.114  23.849  23.849
   67    HA   ARG  10           HA       ARG  10  22.210  21.712  21.712
   68   1HB   ARG  10          2HB       ARG  10  23.258  23.071  23.071
   69   2HB   ARG  10          1HB       ARG  10  23.979  21.630  21.630
   70   1HG   ARG  10          2HG       ARG  10  21.571  20.618  20.618
   71   2HG   ARG  10          1HG       ARG  10  21.223  21.963  21.963
   72   1HD   ARG  10          2HD       ARG  10  23.722  20.458  20.458
   73   2HD   ARG  10          1HD       ARG  10  22.229  19.541  19.541
   74    HE   ARG  10           HE       ARG  10  21.904  22.124  22.124
   75   1HH1  ARG  10          2HH1      ARG  10  23.450  19.056  19.056
   76   2HH1  ARG  10          1HH1      ARG  10  23.447  19.159  19.159
   77   1HH2  ARG  10          1HH2      ARG  10  21.894  22.286  22.286
   78   2HH2  ARG  10          2HH2      ARG  10  22.556  21.019  21.019
   79    H    LEU  11           H        LEU  11  23.037  25.001  25.001
   80    HA   LEU  11           HA       LEU  11  25.610  24.758  24.758
   81   1HB   LEU  11          2HB       LEU  11  24.674  26.422  26.422
   82   2HB   LEU  11          1HB       LEU  11  24.842  27.501  27.501
   83    HG   LEU  11           HG       LEU  11  27.047  25.586  25.586
   84   1HD1  LEU  11          3HD1      LEU  11  26.685  28.547  28.547
   85   2HD1  LEU  11          2HD1      LEU  11  28.099  27.584  27.584
   86   3HD1  LEU  11          1HD1      LEU  11  26.555  27.225  27.225
   87   1HD2  LEU  11          3HD2      LEU  11  26.959  27.960  27.960
   88   2HD2  LEU  11          2HD2      LEU  11  27.349  26.293  26.293
   89   3HD2  LEU  11          1HD2      LEU  11  28.457  27.246  27.246
   90    H    MET  12           H        MET  12  22.414  25.276  25.276
   91    HA   MET  12           HA       MET  12  23.081  26.278  26.278
   92   1HB   MET  12          2HB       MET  12  21.697  27.836  27.836
   93   2HB   MET  12          1HB       MET  12  20.711  27.704  27.704
   94   1HG   MET  12          2HG       MET  12  23.617  28.499  28.499
   95   2HG   MET  12          1HG       MET  12  22.383  29.654  29.654
   96   1HE   MET  12          2HE       MET  12  24.381  27.911  27.911
   97   2HE   MET  12          1HE       MET  12  23.715  28.228  28.228
   98   3HE   MET  12          3HE       MET  12  23.057  26.902  26.902
   99    H    TYR  13           H        TYR  13  22.656  24.346  24.346
  100    HA   TYR  13           HA       TYR  13  20.108  22.939  22.939
  101   1HB   TYR  13          2HB       TYR  13  22.683  22.416  22.416
  102   2HB   TYR  13          1HB       TYR  13  21.261  21.562  21.562
  103    HD1  TYR  13           HD1      TYR  13  22.780  22.375  22.375
  104    HD2  TYR  13           HD2      TYR  13  21.025  19.436  19.436
  105    HE1  TYR  13           HE1      TYR  13  23.041  20.681  20.681
  106    HE2  TYR  13           HE2      TYR  13  21.289  17.757  17.757
  107    HH   TYR  13           HH       TYR  13  22.719  18.585  18.585
  108    H    ASP  14           H        ASP  14  19.268  25.194  25.194
  109    HA   ASP  14           HA       ASP  14  19.126  26.068  26.068
  110   1HB   ASP  14          2HB       ASP  14  18.368  27.193  27.193
  111   2HB   ASP  14          1HB       ASP  14  16.906  26.280  26.280
  112    H    CYS  15           H        CYS  15  17.514  23.457  23.457
  113    HA   CYS  15           HA       CYS  15  15.183  23.077  23.077
  114   1HB   CYS  15          2HB       CYS  15  17.054  20.803  20.803
  115   2HB   CYS  15          1HB       CYS  15  15.313  20.806  20.806
  116    H    CYS  16           H        CYS  16  14.592  22.457  22.457
  117    HA   CYS  16           HA       CYS  16  16.177  22.694  22.694
  118   1HB   CYS  16          2HB       CYS  16  13.677  21.047  21.047
  119   2HB   CYS  16          1HB       CYS  16  14.275  21.626  21.626
  120    H    THR  17           H        THR  17  15.312  19.859  19.859
  121    HA   THR  17           HA       THR  17  17.253  18.228  18.228
  122    HB   THR  17           HB       THR  17  14.920  17.119  17.119
  123    HG1  THR  17           HG1      THR  17  14.327  18.631  18.631
  124   1HG2  THR  17          2HG2      THR  17  16.480  16.058  16.058
  125   2HG2  THR  17          1HG2      THR  17  15.101  15.254  15.254
  126   3HG2  THR  17          3HG2      THR  17  16.605  15.395  15.395
  127    H    GLY  18           H        GLY  18  18.073  19.888  19.888
  128   1HA   GLY  18          2HA       GLY  18  19.210  19.983  19.983
  129   2HA   GLY  18          1HA       GLY  18  20.092  18.665  18.665
  130    H    SER  19           H        SER  19  16.819  18.743  18.743
  131    HA   SER  19           HA       SER  19  17.075  16.265  16.265
  132   1HB   SER  19          2HB       SER  19  14.975  17.931  17.931
  133   2HB   SER  19          1HB       SER  19  14.561  17.418  17.418
  134    HG   SER  19           HG       SER  19  14.347  15.951  15.951
  135    H    CYS  20           H        CYS  20  17.485  19.440  19.440
  136    HA   CYS  20           HA       CYS  20  16.583  20.187  20.187
  137   1HB   CYS  20          2HB       CYS  20  18.541  21.169  21.169
  138   2HB   CYS  20          1HB       CYS  20  19.552  19.995  19.995
  139    H    ARG  21           H        ARG  21  16.118  19.441  19.441
  140    HA   ARG  21           HA       ARG  21  17.744  17.291  17.291
  141   1HB   ARG  21          2HB       ARG  21  15.337  16.719  16.719
  142   2HB   ARG  21          1HB       ARG  21  14.778  17.776  17.776
  143   1HG   ARG  21          2HG       ARG  21  15.923  16.386  16.386
  144   2HG   ARG  21          1HG       ARG  21  16.574  15.356  15.356
  145   1HD   ARG  21          2HD       ARG  21  14.453  14.464  14.464
  146   2HD   ARG  21          1HD       ARG  21  14.365  14.557  14.557
  147    HE   ARG  21           HE       ARG  21  13.415  16.982  16.982
  148   1HH1  ARG  21          1HH2      ARG  21  12.568  13.772  13.772
  149   2HH1  ARG  21          2HH2      ARG  21  10.878  14.135  14.135
  150   1HH2  ARG  21          2HH1      ARG  21  11.305  17.462  17.462
  151   2HH2  ARG  21          1HH1      ARG  21  10.144  16.266  16.266
  152    H    SER  22           H        SER  22  18.797  19.381  19.381
  153    HA   SER  22           HA       SER  22  19.454  21.049  21.049
  154   1HB   SER  22          2HB       SER  22  19.555  18.866  18.866
  155   2HB   SER  22          1HB       SER  22  18.034  19.379  19.379
  156    HG   SER  22           HG       SER  22  19.630  21.484  21.484
  157    H    GLY  23           H        GLY  23  16.871  21.348  21.348
  158   1HA   GLY  23          2HA       GLY  23  15.943  23.761  23.761
  159   2HA   GLY  23          1HA       GLY  23  15.370  22.978  22.978
  160    H    LYS  24           H        LYS  24  15.063  20.553  20.553
  161    HA   LYS  24           HA       LYS  24  12.446  21.500  21.500
  162   1HB   LYS  24          2HB       LYS  24  13.048  19.068  19.068
  163   2HB   LYS  24          1HB       LYS  24  11.740  18.992  18.992
  164   1HG   LYS  24          2HG       LYS  24  11.353  21.478  21.478
  165   2HG   LYS  24          1HG       LYS  24  11.888  20.389  20.389
  166   1HD   LYS  24          2HD       LYS  24   9.493  20.247  20.247
  167   2HD   LYS  24          1HD       LYS  24  10.084  18.751  18.751
  168   1HE   LYS  24          2HE       LYS  24   9.696  20.900  20.900
  169   2HE   LYS  24          1HE       LYS  24   8.221  20.420  20.420
  170   1HZ   LYS  24          1HZ       LYS  24   8.889  18.073  18.073
  171   2HZ   LYS  24          3HZ       LYS  24  10.075  18.718  18.718
  172   3HZ   LYS  24          2HZ       LYS  24   8.432  19.030  19.030
  173    H    CYS  25           H        CYS  25  12.691  21.385  21.385
  174    HA   CYS  25           HA       CYS  25  14.719  19.800  19.800
  175   1HB   CYS  25          2HB       CYS  25  12.315  21.318  21.318
  176   2HB   CYS  25          1HB       CYS  25  13.298  20.432  20.432
  177   1HN   NH2  26          1HT       CYS  25  14.385  17.595  17.595
  178   2HN   NH2  26          2HT       CYS  25  13.161  16.620  16.620

  Start of MODEL   14
    1   1H    CYS   1          3H        CYS   1  14.422  27.631  27.631
    2   2H    CYS   1          2H        CYS   1  16.102  27.884  27.884
    3   3H    CYS   1          1H        CYS   1  15.107  28.702  28.702
    4    HA   CYS   1           HA       CYS   1  16.216  26.930  26.930
    5   1HB   CYS   1          2HB       CYS   1  15.787  24.594  24.594
    6   2HB   CYS   1          1HB       CYS   1  16.670  25.506  25.506
    7    H    LYS   2           H        LYS   2  14.886  24.953  24.953
    8    HA   LYS   2           HA       LYS   2  12.134  26.007  26.007
    9   1HB   LYS   2          2HB       LYS   2  14.339  25.144  25.144
   10   2HB   LYS   2          1HB       LYS   2  12.709  24.785  24.785
   11   1HG   LYS   2          2HG       LYS   2  13.571  27.573  27.573
   12   2HG   LYS   2          1HG       LYS   2  13.611  27.039  27.039
   13   1HD   LYS   2          2HD       LYS   2  11.002  26.369  26.369
   14   2HD   LYS   2          1HD       LYS   2  11.311  27.834  27.834
   15   1HE   LYS   2          2HE       LYS   2  11.732  27.595  27.595
   16   2HE   LYS   2          1HE       LYS   2  10.297  28.271  28.271
   17   1HZ   LYS   2          3HZ       LYS   2  12.854  29.340  29.340
   18   2HZ   LYS   2          2HZ       LYS   2  12.367  29.723  29.723
   19   3HZ   LYS   2          1HZ       LYS   2  11.370  30.125  30.125
   20    H    GLY   3           H        GLY   3  10.569  24.629  24.629
   21   1HA   GLY   3          2HA       GLY   3  10.605  21.989  21.989
   22   2HA   GLY   3          1HA       GLY   3   9.194  22.823  22.823
   23    H    LYS   4           H        LYS   4   9.102  20.353  20.353
   24    HA   LYS   4           HA       LYS   4  10.539  19.281  19.281
   25   1HB   LYS   4          2HB       LYS   4   8.540  18.406  18.406
   26   2HB   LYS   4          1HB       LYS   4   7.672  18.481  18.481
   27   1HG   LYS   4          2HG       LYS   4   9.194  16.961  16.961
   28   2HG   LYS   4          1HG       LYS   4  10.380  17.108  17.108
   29   1HD   LYS   4          2HD       LYS   4   8.818  16.050  16.050
   30   2HD   LYS   4          1HD       LYS   4   7.600  15.921  15.921
   31   1HE   LYS   4          2HE       LYS   4   9.194  14.483  14.483
   32   2HE   LYS   4          1HE       LYS   4  10.332  14.557  14.557
   33   1HZ   LYS   4          2HZ       LYS   4   8.605  13.585  13.585
   34   2HZ   LYS   4          1HZ       LYS   4   7.600  13.421  13.421
   35   3HZ   LYS   4          3HZ       LYS   4   9.064  12.566  12.566
   36    H    GLY   5           H        GLY   5  10.362  19.253  19.253
   37   1HA   GLY   5          2HA       GLY   5   9.753  19.839  19.839
   38   2HA   GLY   5          1HA       GLY   5   8.142  20.182  20.182
   39    H    ALA   6           H        ALA   6  10.573  21.929  21.929
   40    HA   ALA   6           HA       ALA   6   9.599  24.454  24.454
   41   1HB   ALA   6          2HB       ALA   6  11.917  23.749  23.749
   42   2HB   ALA   6          1HB       ALA   6  11.434  25.396  25.396
   43   3HB   ALA   6          3HB       ALA   6  10.332  24.329  24.329
   44    H    LYS   7           H        LYS   7  11.044  26.117  26.117
   45    HA   LYS   7           HA       LYS   7  12.527  25.098  25.098
   46   1HB   LYS   7          2HB       LYS   7  12.811  27.599  27.599
   47   2HB   LYS   7          1HB       LYS   7  11.171  27.011  27.011
   48   1HG   LYS   7          2HG       LYS   7  12.256  28.017  28.017
   49   2HG   LYS   7          1HG       LYS   7  12.081  29.222  29.222
   50   1HD   LYS   7          2HD       LYS   7   9.637  28.004  28.004
   51   2HD   LYS   7          1HD       LYS   7   9.967  27.653  27.653
   52   1HE   LYS   7          2HE       LYS   7  10.076  30.442  30.442
   53   2HE   LYS   7          1HE       LYS   7   8.727  29.799  29.799
   54   1HZ   LYS   7          1HZ       LYS   7  11.413  29.739  29.739
   55   2HZ   LYS   7          3HZ       LYS   7  10.541  31.195  31.195
   56   3HZ   LYS   7          2HZ       LYS   7   9.900  29.828  29.828
   57    H    CYS   8           H        CYS   8  14.153  24.001  24.001
   58    HA   CYS   8           HA       CYS   8  16.131  25.556  25.556
   59   1HB   CYS   8          2HB       CYS   8  16.952  23.559  23.559
   60   2HB   CYS   8          1HB       CYS   8  15.347  23.078  23.078
   61    H    SER   9           H        SER   9  18.484  24.206  24.206
   62    HA   SER   9           HA       SER   9  18.732  24.625  24.625
   63   1HB   SER   9          2HB       SER   9  18.948  26.970  26.970
   64   2HB   SER   9          1HB       SER   9  20.252  26.531  26.531
   65    HG   SER   9           HG       SER   9  21.511  26.015  26.015
   66    H    ARG  10           H        ARG  10  20.731  24.204  24.204
   67    HA   ARG  10           HA       ARG  10  21.962  21.853  21.853
   68   1HB   ARG  10          2HB       ARG  10  23.589  22.055  22.055
   69   2HB   ARG  10          1HB       ARG  10  21.924  22.141  22.141
   70   1HG   ARG  10          2HG       ARG  10  22.489  24.027  24.027
   71   2HG   ARG  10          1HG       ARG  10  22.483  24.844  24.844
   72   1HD   ARG  10          2HD       ARG  10  24.614  25.323  25.323
   73   2HD   ARG  10          1HD       ARG  10  24.954  24.123  24.123
   74    HE   ARG  10           HE       ARG  10  24.429  22.620  22.620
   75   1HH1  ARG  10          1HH2      ARG  10  26.618  25.171  25.171
   76   2HH1  ARG  10          2HH2      ARG  10  27.845  24.632  24.632
   77   1HH2  ARG  10          2HH1      ARG  10  25.966  21.926  21.926
   78   2HH2  ARG  10          1HH1      ARG  10  27.471  22.771  22.771
   79    H    LEU  11           H        LEU  11  22.732  25.218  25.218
   80    HA   LEU  11           HA       LEU  11  25.250  24.817  24.817
   81   1HB   LEU  11          2HB       LEU  11  24.521  26.604  26.604
   82   2HB   LEU  11          1HB       LEU  11  24.461  27.613  27.613
   83    HG   LEU  11           HG       LEU  11  26.677  27.746  27.746
   84   1HD1  LEU  11          2HD1      LEU  11  26.547  27.814  27.814
   85   2HD1  LEU  11          1HD1      LEU  11  26.922  26.097  26.097
   86   3HD1  LEU  11          3HD1      LEU  11  28.092  27.237  27.237
   87   1HD2  LEU  11          3HD2      LEU  11  26.649  25.516  25.516
   88   2HD2  LEU  11          2HD2      LEU  11  28.152  25.828  25.828
   89   3HD2  LEU  11          1HD2      LEU  11  26.968  24.739  24.739
   90    H    MET  12           H        MET  12  22.092  25.048  25.048
   91    HA   MET  12           HA       MET  12  22.710  26.157  26.157
   92   1HB   MET  12          2HB       MET  12  20.181  27.074  27.074
   93   2HB   MET  12          1HB       MET  12  20.872  27.688  27.688
   94   1HG   MET  12          2HG       MET  12  22.843  28.520  28.520
   95   2HG   MET  12          1HG       MET  12  22.082  27.975  27.975
   96   1HE   MET  12          3HE       MET  12  21.291  30.136  30.136
   97   2HE   MET  12          2HE       MET  12  22.703  30.825  30.825
   98   3HE   MET  12          1HE       MET  12  21.190  31.709  31.709
   99    H    TYR  13           H        TYR  13  22.565  24.215  24.215
  100    HA   TYR  13           HA       TYR  13  20.128  22.540  22.540
  101   1HB   TYR  13          2HB       TYR  13  22.581  22.159  22.159
  102   2HB   TYR  13          1HB       TYR  13  21.387  20.936  20.936
  103    HD1  TYR  13           HD1      TYR  13  24.148  22.993  22.993
  104    HD2  TYR  13           HD2      TYR  13  21.551  19.682  19.682
  105    HE1  TYR  13           HE1      TYR  13  25.493  22.322  22.322
  106    HE2  TYR  13           HE2      TYR  13  22.898  19.016  19.016
  107    HH   TYR  13           HH       TYR  13  24.645  19.473  19.473
  108    H    ASP  14           H        ASP  14  19.373  24.829  24.829
  109    HA   ASP  14           HA       ASP  14  19.491  25.631  25.631
  110   1HB   ASP  14          2HB       ASP  14  18.487  27.454  27.454
  111   2HB   ASP  14          1HB       ASP  14  18.699  26.680  26.680
  112    H    CYS  15           H        CYS  15  17.695  23.125  23.125
  113    HA   CYS  15           HA       CYS  15  15.281  23.165  23.165
  114   1HB   CYS  15          2HB       CYS  15  16.801  20.638  20.638
  115   2HB   CYS  15          1HB       CYS  15  15.077  20.905  20.905
  116    H    CYS  16           H        CYS  16  14.663  22.404  22.404
  117    HA   CYS  16           HA       CYS  16  16.384  22.662  22.662
  118   1HB   CYS  16          2HB       CYS  16  13.805  21.102  21.102
  119   2HB   CYS  16          1HB       CYS  16  14.509  21.766  21.766
  120    H    THR  17           H        THR  17  15.230  19.791  19.791
  121    HA   THR  17           HA       THR  17  17.156  18.127  18.127
  122    HB   THR  17           HB       THR  17  14.673  17.495  17.495
  123    HG1  THR  17           HG1      THR  17  16.155  15.576  15.576
  124   1HG2  THR  17          1HG2      THR  17  14.341  18.089  18.089
  125   2HG2  THR  17          3HG2      THR  17  15.024  16.498  16.498
  126   3HG2  THR  17          2HG2      THR  17  13.542  16.660  16.660
  127    H    GLY  18           H        GLY  18  17.981  19.752  19.752
  128   1HA   GLY  18          2HA       GLY  18  19.182  19.787  19.787
  129   2HA   GLY  18          1HA       GLY  18  19.960  18.393  18.393
  130    H    SER  19           H        SER  19  16.690  18.738  18.738
  131    HA   SER  19           HA       SER  19  16.760  16.279  16.279
  132   1HB   SER  19          2HB       SER  19  14.782  18.036  18.036
  133   2HB   SER  19          1HB       SER  19  14.340  17.696  17.696
  134    HG   SER  19           HG       SER  19  14.615  15.496  15.496
  135    H    CYS  20           H        CYS  20  17.420  19.457  19.457
  136    HA   CYS  20           HA       CYS  20  16.552  20.217  20.217
  137   1HB   CYS  20          2HB       CYS  20  18.323  21.364  21.364
  138   2HB   CYS  20          1HB       CYS  20  19.477  20.219  20.219
  139    H    ARG  21           H        ARG  21  16.533  19.716  19.716
  140    HA   ARG  21           HA       ARG  21  18.283  17.587  17.587
  141   1HB   ARG  21          2HB       ARG  21  15.852  16.846  16.846
  142   2HB   ARG  21          1HB       ARG  21  15.324  17.917  17.917
  143   1HG   ARG  21          2HG       ARG  21  16.668  16.684  16.684
  144   2HG   ARG  21          1HG       ARG  21  17.353  15.681  15.681
  145   1HD   ARG  21          2HD       ARG  21  14.356  15.723  15.723
  146   2HD   ARG  21          1HD       ARG  21  15.146  14.959  14.959
  147    HE   ARG  21           HE       ARG  21  15.089  13.969  13.969
  148   1HH1  ARG  21          2HH1      ARG  21  16.794  13.943  13.943
  149   2HH1  ARG  21          1HH1      ARG  21  17.537  12.410  12.410
  150   1HH2  ARG  21          1HH2      ARG  21  16.022  12.035  12.035
  151   2HH2  ARG  21          2HH2      ARG  21  17.097  11.312  11.312
  152    H    SER  22           H        SER  22  19.209  19.804  19.804
  153    HA   SER  22           HA       SER  22  19.820  21.617  21.617
  154   1HB   SER  22          2HB       SER  22  19.267  19.394  19.394
  155   2HB   SER  22          1HB       SER  22  20.118  20.890  20.890
  156    HG   SER  22           HG       SER  22  20.784  19.120  19.120
  157    H    GLY  23           H        GLY  23  17.303  21.804  21.804
  158   1HA   GLY  23          2HA       GLY  23  16.112  23.951  23.951
  159   2HA   GLY  23          1HA       GLY  23  15.687  22.827  22.827
  160    H    LYS  24           H        LYS  24  15.296  20.600  20.600
  161    HA   LYS  24           HA       LYS  24  12.718  21.590  21.590
  162   1HB   LYS  24          2HB       LYS  24  13.318  18.961  18.961
  163   2HB   LYS  24          1HB       LYS  24  11.881  19.197  19.197
  164   1HG   LYS  24          2HG       LYS  24  12.628  20.995  20.995
  165   2HG   LYS  24          1HG       LYS  24  11.564  19.610  19.610
  166   1HD   LYS  24          2HD       LYS  24  10.065  20.656  20.656
  167   2HD   LYS  24          1HD       LYS  24  11.079  22.088  22.088
  168   1HE   LYS  24          2HE       LYS  24  10.626  22.258  22.258
  169   2HE   LYS  24          1HE       LYS  24   9.470  20.942  20.942
  170   1HZ   LYS  24          2HZ       LYS  24   8.310  22.295  22.295
  171   2HZ   LYS  24          1HZ       LYS  24   9.375  23.578  23.578
  172   3HZ   LYS  24          3HZ       LYS  24   8.335  23.007  23.007
  173    H    CYS  25           H        CYS  25  12.594  21.362  21.362
  174    HA   CYS  25           HA       CYS  25  14.716  19.966  19.966
  175   1HB   CYS  25          2HB       CYS  25  12.316  21.589  21.589
  176   2HB   CYS  25          1HB       CYS  25  13.085  20.653  20.653
  177   1HN   NH2  26          1HT       CYS  25  14.178  17.775  17.775
  178   2HN   NH2  26          2HT       CYS  25  13.041  16.801  16.801

  Start of MODEL   15
    1   1H    CYS   1          2H        CYS   1  13.356  27.344  27.344
    2   2H    CYS   1          1H        CYS   1  14.939  27.629  27.629
    3   3H    CYS   1          3H        CYS   1  14.292  28.568  28.568
    4    HA   CYS   1           HA       CYS   1  15.751  27.034  27.034
    5   1HB   CYS   1          2HB       CYS   1  15.423  24.585  24.585
    6   2HB   CYS   1          1HB       CYS   1  15.947  25.454  25.454
    7    H    LYS   2           H        LYS   2  14.872  24.962  24.962
    8    HA   LYS   2           HA       LYS   2  12.390  26.024  26.024
    9   1HB   LYS   2          2HB       LYS   2  14.985  24.915  24.915
   10   2HB   LYS   2          1HB       LYS   2  13.544  24.573  24.573
   11   1HG   LYS   2          2HG       LYS   2  13.051  27.105  27.105
   12   2HG   LYS   2          1HG       LYS   2  14.659  27.294  27.294
   13   1HD   LYS   2          2HD       LYS   2  15.375  25.830  25.830
   14   2HD   LYS   2          1HD       LYS   2  13.845  26.386  26.386
   15   1HE   LYS   2          2HE       LYS   2  15.960  28.287  28.287
   16   2HE   LYS   2          1HE       LYS   2  15.845  27.854  27.854
   17   1HZ   LYS   2          3HZ       LYS   2  13.507  28.648  28.648
   18   2HZ   LYS   2          2HZ       LYS   2  13.820  29.251  29.251
   19   3HZ   LYS   2          1HZ       LYS   2  14.682  29.854  29.854
   20    H    GLY   3           H        GLY   3  10.683  24.824  24.824
   21   1HA   GLY   3          2HA       GLY   3  10.583  22.227  22.227
   22   2HA   GLY   3          1HA       GLY   3   9.240  23.050  23.050
   23    H    LYS   4           H        LYS   4   9.373  20.402  20.402
   24    HA   LYS   4           HA       LYS   4  10.805  19.355  19.355
   25   1HB   LYS   4          2HB       LYS   4   8.990  17.529  17.529
   26   2HB   LYS   4          1HB       LYS   4   9.968  17.746  17.746
   27   1HG   LYS   4          2HG       LYS   4   8.226  18.486  18.486
   28   2HG   LYS   4          1HG       LYS   4   7.474  19.390  19.390
   29   1HD   LYS   4          2HD       LYS   4   6.180  17.620  17.620
   30   2HD   LYS   4          1HD       LYS   4   7.411  16.421  16.421
   31   1HE   LYS   4          2HE       LYS   4   6.928  16.779  16.779
   32   2HE   LYS   4          1HE       LYS   4   5.531  17.729  17.729
   33   1HZ   LYS   4          2HZ       LYS   4   6.060  14.921  14.921
   34   2HZ   LYS   4          1HZ       LYS   4   4.971  15.425  15.425
   35   3HZ   LYS   4          3HZ       LYS   4   4.693  15.833  15.833
   36    H    GLY   5           H        GLY   5  10.651  20.258  20.258
   37   1HA   GLY   5          2HA       GLY   5   9.515  20.173  20.173
   38   2HA   GLY   5          1HA       GLY   5   7.990  20.510  20.510
   39    H    ALA   6           H        ALA   6  10.810  22.154  22.154
   40    HA   ALA   6           HA       ALA   6   9.734  24.745  24.745
   41   1HB   ALA   6          1HB       ALA   6  11.896  23.932  23.932
   42   2HB   ALA   6          3HB       ALA   6  11.652  25.611  25.611
   43   3HB   ALA   6          2HB       ALA   6  10.373  24.729  24.729
   44    H    LYS   7           H        LYS   7  11.023  26.208  26.208
   45    HA   LYS   7           HA       LYS   7  12.613  25.046  25.046
   46   1HB   LYS   7          2HB       LYS   7  11.108  27.304  27.304
   47   2HB   LYS   7          1HB       LYS   7  12.665  28.030  28.030
   48   1HG   LYS   7          2HG       LYS   7  12.485  28.146  28.146
   49   2HG   LYS   7          1HG       LYS   7  13.479  26.723  26.723
   50   1HD   LYS   7          2HD       LYS   7  11.175  25.410  25.410
   51   2HD   LYS   7          1HD       LYS   7  10.530  26.880  26.880
   52   1HE   LYS   7          2HE       LYS   7  12.262  26.731  26.731
   53   2HE   LYS   7          1HE       LYS   7  12.824  25.215  25.215
   54   1HZ   LYS   7          3HZ       LYS   7  10.620  24.294  24.294
   55   2HZ   LYS   7          2HZ       LYS   7  10.094  25.752  25.752
   56   3HZ   LYS   7          1HZ       LYS   7  11.289  24.827  24.827
   57    H    CYS   8           H        CYS   8  14.209  23.992  23.992
   58    HA   CYS   8           HA       CYS   8  16.107  25.392  25.392
   59   1HB   CYS   8          2HB       CYS   8  16.909  23.331  23.331
   60   2HB   CYS   8          1HB       CYS   8  15.295  22.931  22.931
   61    H    SER   9           H        SER   9  18.505  24.145  24.145
   62    HA   SER   9           HA       SER   9  19.032  24.841  24.841
   63   1HB   SER   9          2HB       SER   9  21.009  26.456  26.456
   64   2HB   SER   9          1HB       SER   9  19.589  27.055  27.055
   65    HG   SER   9           HG       SER   9  18.445  26.993  26.993
   66    H    ARG  10           H        ARG  10  20.829  23.964  23.964
   67    HA   ARG  10           HA       ARG  10  22.004  21.768  21.768
   68   1HB   ARG  10          2HB       ARG  10  23.569  21.665  21.665
   69   2HB   ARG  10          1HB       ARG  10  21.906  21.839  21.839
   70   1HG   ARG  10          2HG       ARG  10  22.242  24.272  24.272
   71   2HG   ARG  10          1HG       ARG  10  23.882  24.165  24.165
   72   1HD   ARG  10          2HD       ARG  10  24.673  23.014  23.014
   73   2HD   ARG  10          1HD       ARG  10  23.084  22.380  22.380
   74    HE   ARG  10           HE       ARG  10  22.716  24.284  24.284
   75   1HH1  ARG  10          2HH1      ARG  10  25.189  24.928  24.928
   76   2HH1  ARG  10          1HH1      ARG  10  25.520  26.509  26.509
   77   1HH2  ARG  10          1HH2      ARG  10  23.127  26.276  26.276
   78   2HH2  ARG  10          2HH2      ARG  10  24.345  27.281  27.281
   79    H    LEU  11           H        LEU  11  22.842  25.083  25.083
   80    HA   LEU  11           HA       LEU  11  25.433  24.727  24.727
   81   1HB   LEU  11          2HB       LEU  11  24.593  26.426  26.426
   82   2HB   LEU  11          1HB       LEU  11  24.736  27.497  27.497
   83    HG   LEU  11           HG       LEU  11  27.064  26.324  26.324
   84   1HD1  LEU  11          1HD1      LEU  11  26.636  24.476  24.476
   85   2HD1  LEU  11          3HD1      LEU  11  26.606  25.671  25.671
   86   3HD1  LEU  11          2HD1      LEU  11  28.085  25.389  25.389
   87   1HD2  LEU  11          2HD2      LEU  11  26.796  28.680  28.680
   88   2HD2  LEU  11          1HD2      LEU  11  28.165  27.903  27.903
   89   3HD2  LEU  11          3HD2      LEU  11  26.666  28.124  28.124
   90    H    MET  12           H        MET  12  22.340  25.174  25.174
   91    HA   MET  12           HA       MET  12  23.090  26.242  26.242
   92   1HB   MET  12          2HB       MET  12  21.615  27.766  27.766
   93   2HB   MET  12          1HB       MET  12  20.674  27.622  27.622
   94   1HG   MET  12          2HG       MET  12  23.557  28.440  28.440
   95   2HG   MET  12          1HG       MET  12  22.336  29.603  29.603
   96   1HE   MET  12          1HE       MET  12  21.176  31.044  31.044
   97   2HE   MET  12          3HE       MET  12  20.014  29.701  29.701
   98   3HE   MET  12          2HE       MET  12  20.581  30.525  30.525
   99    H    TYR  13           H        TYR  13  22.698  24.313  24.313
  100    HA   TYR  13           HA       TYR  13  20.150  22.883  22.883
  101   1HB   TYR  13          2HB       TYR  13  22.285  22.254  22.254
  102   2HB   TYR  13          1HB       TYR  13  21.139  21.149  21.149
  103    HD1  TYR  13           HD1      TYR  13  21.345  21.002  21.002
  104    HD2  TYR  13           HD2      TYR  13  24.487  22.199  22.199
  105    HE1  TYR  13           HE1      TYR  13  22.992  20.400  20.400
  106    HE2  TYR  13           HE2      TYR  13  26.133  21.597  21.597
  107    HH   TYR  13           HH       TYR  13  25.173  20.601  20.601
  108    H    ASP  14           H        ASP  14  19.300  25.117  25.117
  109    HA   ASP  14           HA       ASP  14  19.215  25.975  25.975
  110   1HB   ASP  14          2HB       ASP  14  18.439  27.060  27.060
  111   2HB   ASP  14          1HB       ASP  14  16.929  26.385  26.385
  112    H    CYS  15           H        CYS  15  17.742  23.272  23.272
  113    HA   CYS  15           HA       CYS  15  15.308  23.080  23.080
  114   1HB   CYS  15          2HB       CYS  15  17.081  20.726  20.726
  115   2HB   CYS  15          1HB       CYS  15  15.340  20.789  20.789
  116    H    CYS  16           H        CYS  16  14.678  22.296  22.296
  117    HA   CYS  16           HA       CYS  16  16.127  22.663  22.663
  118   1HB   CYS  16          2HB       CYS  16  13.830  20.758  20.758
  119   2HB   CYS  16          1HB       CYS  16  14.273  21.504  21.504
  120    H    THR  17           H        THR  17  15.574  19.749  19.749
  121    HA   THR  17           HA       THR  17  17.700  18.354  18.354
  122    HB   THR  17           HB       THR  17  15.410  16.876  16.876
  123    HG1  THR  17           HG1      THR  17  15.539  18.268  18.268
  124   1HG2  THR  17          3HG2      THR  17  17.432  15.592  15.592
  125   2HG2  THR  17          2HG2      THR  17  16.903  16.252  16.252
  126   3HG2  THR  17          1HG2      THR  17  15.855  15.169  15.169
  127    H    GLY  18           H        GLY  18  18.182  19.936  19.936
  128   1HA   GLY  18          2HA       GLY  18  19.190  20.001  20.001
  129   2HA   GLY  18          1HA       GLY  18  20.158  18.717  18.717
  130    H    SER  19           H        SER  19  16.803  18.814  18.814
  131    HA   SER  19           HA       SER  19  16.941  16.256  16.256
  132   1HB   SER  19          2HB       SER  19  14.918  17.972  17.972
  133   2HB   SER  19          1HB       SER  19  14.434  17.563  17.563
  134    HG   SER  19           HG       SER  19  14.109  15.612  15.612
  135    H    CYS  20           H        CYS  20  17.410  19.415  19.415
  136    HA   CYS  20           HA       CYS  20  16.527  20.120  20.120
  137   1HB   CYS  20          2HB       CYS  20  18.448  21.101  21.101
  138   2HB   CYS  20          1HB       CYS  20  19.487  19.962  19.962
  139    H    ARG  21           H        ARG  21  16.091  19.327  19.327
  140    HA   ARG  21           HA       ARG  21  17.764  17.168  17.168
  141   1HB   ARG  21          2HB       ARG  21  15.263  16.710  16.710
  142   2HB   ARG  21          1HB       ARG  21  14.834  17.654  17.654
  143   1HG   ARG  21          2HG       ARG  21  16.068  16.111  16.111
  144   2HG   ARG  21          1HG       ARG  21  16.658  15.205  15.205
  145   1HD   ARG  21          2HD       ARG  21  13.674  15.577  15.577
  146   2HD   ARG  21          1HD       ARG  21  14.566  14.275  14.275
  147    HE   ARG  21           HE       ARG  21  15.151  14.283  14.283
  148   1HH1  ARG  21          2HH1      ARG  21  12.653  13.552  13.552
  149   2HH1  ARG  21          1HH1      ARG  21  11.914  12.361  12.361
  150   1HH2  ARG  21          1HH2      ARG  21  14.253  12.781  12.781
  151   2HH2  ARG  21          2HH2      ARG  21  12.838  11.911  11.911
  152    H    SER  22           H        SER  22  18.911  19.173  19.173
  153    HA   SER  22           HA       SER  22  19.702  20.803  20.803
  154   1HB   SER  22          2HB       SER  22  18.255  19.016  19.016
  155   2HB   SER  22          1HB       SER  22  19.557  20.154  20.154
  156    HG   SER  22           HG       SER  22  20.762  19.009  19.009
  157    H    GLY  23           H        GLY  23  17.117  21.266  21.266
  158   1HA   GLY  23          2HA       GLY  23  16.330  23.719  23.719
  159   2HA   GLY  23          1HA       GLY  23  15.728  22.925  22.925
  160    H    LYS  24           H        LYS  24  15.182  20.533  20.533
  161    HA   LYS  24           HA       LYS  24  12.643  21.672  21.672
  162   1HB   LYS  24          2HB       LYS  24  12.463  20.246  20.246
  163   2HB   LYS  24          1HB       LYS  24  12.808  18.876  18.876
  164   1HG   LYS  24          2HG       LYS  24  10.506  18.855  18.855
  165   2HG   LYS  24          1HG       LYS  24  10.846  19.948  19.948
  166   1HD   LYS  24          2HD       LYS  24  10.461  21.903  21.903
  167   2HD   LYS  24          1HD       LYS  24  10.212  20.832  20.832
  168   1HE   LYS  24          2HE       LYS  24   8.249  19.806  19.806
  169   2HE   LYS  24          1HE       LYS  24   8.464  20.976  20.976
  170   1HZ   LYS  24          3HZ       LYS  24   8.201  22.741  22.741
  171   2HZ   LYS  24          2HZ       LYS  24   7.845  21.557  21.557
  172   3HZ   LYS  24          1HZ       LYS  24   6.822  21.765  21.765
  173    H    CYS  25           H        CYS  25  12.871  21.532  21.532
  174    HA   CYS  25           HA       CYS  25  14.717  19.798  19.798
  175   1HB   CYS  25          2HB       CYS  25  12.336  21.379  21.379
  176   2HB   CYS  25          1HB       CYS  25  13.245  20.429  20.429
  177   1HN   NH2  26          1HT       CYS  25  14.442  17.597  17.597
  178   2HN   NH2  26          2HT       CYS  25  13.083  16.687  16.687