*HEADER    SIGNALING PROTEIN                       10-AUG-98   1BO0              
*TITLE     MONOCYTE CHEMOATTRACTANT PROTEIN-3, NMR, MINIMIZED AVERAGE            
*TITLE    2 STRUCTURE                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MONOCYTE CHEMOATTRACTANT PROTEIN-3;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: MCP-3;                                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   6 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;                      
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    CHEMOTACTIC CYTOKINE                                                  
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    D.KWON, D.LEE, B.D.SYKES, K.-S.KIM                                    

!NOE constraints                                                                
assign (resid   2 and name   HA) (resid   2 and name  HB1) 3.0 1.2 0.5          
assign (resid   2 and name   HA) (resid   3 and name   HN) 4.0 2.2 1.0          
assign (resid   2 and name  HB2) (resid   2 and name  HG#) 2.4 0.6 1.3          
assign (resid   2 and name  HD#) (resid   2 and name  HG#) 3.0 1.2 2.5          
assign (resid   2 and name  HD1) (resid   1 and name   HA) 3.0 1.2 0.5          
assign (resid   2 and name  HD2) (resid   1 and name   HA) 3.0 1.2 0.5          
assign (resid   3 and name   HA) (resid   3 and name   HB) 3.0 1.2 0.5          
assign (resid   3 and name   HA) (resid   3 and name   HN) 3.0 1.2 0.5          
assign (resid   3 and name   HA) (resid   3 and name HG2#) 3.0 1.2 1.5          
assign (resid   3 and name   HA) (resid   4 and name   HN) 2.4 0.6 0.3          
assign (resid   3 and name   HB) (resid   3 and name   HN) 4.0 2.2 1.0          
assign (resid   3 and name  HG#) (resid   3 and name   HB) 3.0 1.2 2.8          
assign (resid   3 and name HG1#) (resid   3 and name   HA) 3.0 1.2 1.5          
assign (resid   3 and name HG2#) (resid   3 and name   HN) 3.0 1.2 1.5          
assign (resid   4 and name   HN) (resid   5 and name   HN) 4.0 2.2 1.0          
assign (resid   4 and name  HA#) (resid   4 and name   HN) 2.4 0.6 1.3          
assign (resid   4 and name  HA#) (resid   5 and name   HN) 2.4 0.6 1.3          
assign (resid   5 and name   HA) (resid   5 and name   HB) 3.0 1.2 0.5          
assign (resid   5 and name   HA) (resid   5 and name   HN) 3.0 1.2 0.5          
assign (resid   5 and name   HA) (resid   5 and name HG1#) 4.0 2.2 2.0          
assign (resid   5 and name   HA) (resid   5 and name HG2#) 3.0 1.2 1.5          
assign (resid   5 and name   HA) (resid   6 and name   HN) 3.0 1.2 0.5          
assign (resid   5 and name   HB) (resid   5 and name   HN) 3.0 1.2 0.5          
assign (resid   5 and name   HB) (resid   5 and name HG1#) 3.0 1.2 1.5          
assign (resid   5 and name   HB) (resid   5 and name HG2#) 3.0 1.2 1.5          
assign (resid   5 and name   HB) (resid   6 and name   HN) 4.0 2.2 1.0          
assign (resid   5 and name   HN) (resid   6 and name   HN) 4.0 2.2 1.0          
assign (resid   5 and name HD1#) (resid   5 and name   HA) 3.0 1.2 1.5          
assign (resid   5 and name HD1#) (resid   5 and name   HB) 3.0 1.2 1.5          
assign (resid   5 and name HD1#) (resid   5 and name HG11) 2.4 0.6 1.3          
assign (resid   5 and name HD1#) (resid   5 and name HG12) 2.4 0.6 1.3          
assign (resid   5 and name HG11) (resid   5 and name   HN) 4.0 2.2 1.0          
assign (resid   5 and name HG12) (resid   5 and name   HN) 4.0 2.2 1.0          
assign (resid   5 and name HG2#) (resid   5 and name   HN) 3.0 1.2 1.5          
assign (resid   5 and name HG2#) (resid   6 and name   HN) 3.0 1.2 1.5          
assign (resid   6 and name   HA) (resid   6 and name   HN) 3.0 1.2 0.5          
assign (resid   6 and name   HA) (resid   7 and name   HN) 3.0 1.2 0.5          
assign (resid   6 and name  HB#) (resid   6 and name HD2#) 4.0 2.2 2.0          
assign (resid   6 and name  HB1) (resid   6 and name   HA) 3.0 1.2 0.5          
assign (resid   6 and name  HB1) (resid   6 and name   HN) 3.0 1.2 0.5          
assign (resid   6 and name  HB2) (resid   6 and name   HA) 3.0 1.2 0.5          
assign (resid   6 and name  HB2) (resid   6 and name   HN) 3.0 1.2 0.5          
assign (resid   7 and name   HA) (resid   7 and name   HN) 3.0 1.2 0.5          
assign (resid   7 and name   HA) (resid   7 and name HG2#) 2.4 0.6 1.3          
assign (resid   7 and name   HA) (resid   8 and name   HN) 3.0 1.2 0.5          
assign (resid   7 and name   HB) (resid   7 and name HG2#) 2.4 0.6 1.3          
assign (resid   7 and name   HN) (resid   6 and name   HN) 4.0 2.2 1.0          
assign (resid   7 and name   HN) (resid   8 and name   HN) 3.0 1.2 0.5          
assign (resid   7 and name HG2#) (resid   7 and name   HN) 3.0 1.2 1.5          
assign (resid   7 and name HG2#) (resid   8 and name   HN) 4.0 2.2 2.0          
assign (resid   8 and name   HA) (resid   8 and name   HN) 3.0 1.2 0.5          
assign (resid   8 and name   HA) (resid   8 and name  HB#) 2.4 0.6 1.3          
assign (resid   8 and name   HA) (resid   9 and name   HN) 4.0 2.2 1.0          
assign (resid   8 and name  HB#) (resid   8 and name   HN) 3.0 1.2 1.5          
assign (resid   9 and name   HA) (resid   9 and name   HB) 3.0 1.2 0.5          
assign (resid   9 and name   HA) (resid   9 and name   HN) 3.0 1.2 0.5          
assign (resid   9 and name   HA) (resid   9 and name HG2#) 2.4 0.6 1.3          
assign (resid   9 and name   HA) (resid  10 and name   HN) 3.0 1.2 0.5          
assign (resid   9 and name   HB) (resid   9 and name   HN) 3.0 1.2 0.5          
assign (resid   9 and name   HN) (resid  10 and name   HN) 4.0 2.2 1.0          
assign (resid   9 and name HG2#) (resid   9 and name   HN) 3.0 1.2 1.5          
assign (resid   9 and name HG2#) (resid  10 and name   HN) 4.0 2.2 2.0          
assign (resid   9 and name HG2#) (resid  11 and name   HN) 4.0 2.2 2.0          
assign (resid   9 and name HG2#) (resid  42 and name HD1#) 3.0 1.2 2.5          
assign (resid  10 and name   HA) (resid  10 and name   HB) 3.0 1.2 0.5          
assign (resid  10 and name   HA) (resid  10 and name   HN) 3.0 1.2 0.5          
assign (resid  10 and name   HA) (resid  10 and name HG2#) 3.0 1.2 1.5          
assign (resid  10 and name   HA) (resid  11 and name   HN) 3.0 1.2 0.5          
assign (resid  10 and name   HB) (resid  10 and name   HN) 3.0 1.2 0.5          
assign (resid  10 and name   HB) (resid  10 and name HG2#) 2.4 0.6 1.3          
assign (resid  10 and name   HB) (resid  11 and name   HN) 3.0 1.2 0.5          
assign (resid  10 and name   HN) (resid  11 and name   HN) 4.0 2.2 1.0          
assign (resid  10 and name HG2#) (resid  10 and name   HN) 4.0 2.2 2.0          
assign (resid  10 and name HG2#) (resid  11 and name   HN) 3.0 1.2 1.5          
assign (resid  11 and name   HA) (resid  11 and name   HN) 3.0 1.2 0.5          
assign (resid  11 and name   HA) (resid  11 and name  HB1) 3.0 1.2 0.5          
assign (resid  11 and name   HA) (resid  12 and name   HN) 4.0 2.2 1.0          
assign (resid  11 and name   HA) (resid  31 and name HG2#) 3.0 1.2 1.5          
assign (resid  11 and name  HB1) (resid  11 and name   HN) 4.0 2.2 1.0          
assign (resid  11 and name  HB1) (resid  12 and name   HN) 3.0 1.2 0.5          
assign (resid  11 and name  HB2) (resid  11 and name   HA) 3.0 1.2 0.5          
assign (resid  11 and name  HB2) (resid  11 and name   HN) 3.0 1.2 0.5          
assign (resid  11 and name  HB2) (resid  11 and name  HB1) 2.4 0.6 0.3          
assign (resid  11 and name  HB2) (resid  12 and name   HN) 3.0 1.2 0.5          
assign (resid  12 and name   HA) (resid  13 and name   HN) 3.0 1.2 0.5          
assign (resid  12 and name   HA) (resid  14 and name   HN) 4.0 2.2 1.0          
assign (resid  12 and name  HB1) (resid  12 and name   HA) 3.0 1.2 0.5          
assign (resid  12 and name  HB1) (resid  12 and name   HN) 4.0 2.2 1.0          
assign (resid  12 and name  HB1) (resid  40 and name  HB#) 3.0 1.2 1.5          
assign (resid  12 and name  HB2) (resid  12 and name   HA) 4.0 2.2 1.0          
assign (resid  12 and name  HB2) (resid  12 and name   HN) 3.0 1.2 0.5          
assign (resid  12 and name  HB2) (resid  40 and name  HB#) 4.0 2.2 2.0          
assign (resid  13 and name   HA) (resid  13 and name  HB1) 3.0 1.2 0.5          
assign (resid  13 and name   HA) (resid  13 and name  HB2) 3.0 1.2 0.5          
assign (resid  13 and name   HA) (resid  13 and name  HD#) 3.0 1.2 2.7          
assign (resid  13 and name   HA) (resid  14 and name   HN) 4.0 2.2 1.0          
assign (resid  13 and name   HN) (resid  14 and name   HN) 3.0 1.2 0.5          
assign (resid  13 and name  HB#) (resid  14 and name   HN) 4.0 2.2 2.0          
assign (resid  13 and name  HB1) (resid  13 and name  HD#) 3.0 1.2 2.7          
assign (resid  13 and name  HB2) (resid  13 and name  HD#) 3.0 1.2 2.7          
assign (resid  14 and name   HA) (resid  14 and name   HN) 3.0 1.2 0.5          
assign (resid  14 and name   HA) (resid  14 and name  HB1) 3.0 1.2 0.5          
assign (resid  14 and name   HA) (resid  14 and name  HB2) 3.0 1.2 0.5          
assign (resid  14 and name   HA) (resid  14 and name  HG#) 3.0 1.2 1.5          
assign (resid  14 and name   HA) (resid  15 and name   HN) 2.4 0.6 0.3          
assign (resid  14 and name  HB#) (resid  15 and name   HN) 3.0 1.2 1.5          
assign (resid  14 and name  HB1) (resid  14 and name   HN) 4.0 2.2 1.0          
assign (resid  14 and name  HB1) (resid  14 and name  HG#) 2.4 0.6 1.3          
assign (resid  14 and name  HB2) (resid  14 and name   HN) 4.0 2.2 1.0          
assign (resid  14 and name  HB2) (resid  14 and name  HG#) 2.4 0.6 1.3          
assign (resid  14 and name  HD#) (resid  14 and name  HB1) 3.0 1.2 1.5          
assign (resid  14 and name  HD#) (resid  14 and name  HB2) 3.0 1.2 1.5          
assign (resid  14 and name  HD#) (resid  14 and name  HG#) 2.4 0.6 2.3          
assign (resid  14 and name  HG#) (resid  14 and name   HN) 3.0 1.2 1.5          
assign (resid  14 and name  HG#) (resid  15 and name   HN) 4.0 2.2 2.0          
assign (resid  15 and name   HA) (resid  15 and name   HN) 3.0 1.2 0.5          
assign (resid  15 and name   HA) (resid  16 and name   HN) 3.0 1.2 0.5          
assign (resid  15 and name   HA) (resid  54 and name   HN) 4.0 2.2 1.0          
assign (resid  15 and name  HB1) (resid  15 and name   HA) 4.0 2.2 1.0          
assign (resid  15 and name  HB1) (resid  15 and name   HN) 4.0 2.2 1.0          
assign (resid  15 and name  HB1) (resid  15 and name  HD#) 3.0 1.2 2.7          
assign (resid  15 and name  HB2) (resid  15 and name   HA) 3.0 1.2 0.5          
assign (resid  15 and name  HB2) (resid  15 and name   HN) 3.0 1.2 0.5          
assign (resid  15 and name  HB2) (resid  15 and name  HD#) 3.0 1.2 2.7          
assign (resid  15 and name  HD#) (resid  15 and name   HA) 3.0 1.2 2.7          
assign (resid  15 and name  HD#) (resid  15 and name   HN) 4.0 2.2 3.2          
assign (resid  15 and name  HD#) (resid  53 and name  HB#) 4.0 2.2 4.2          
assign (resid  15 and name  HD#) (resid  54 and name  HB#) 4.0 2.2 4.2          
assign (resid  15 and name  HE#) (resid  15 and name  HB2) 4.0 2.2 3.2          
assign (resid  15 and name  HE#) (resid  40 and name   HA) 3.0 1.2 2.7          
assign (resid  15 and name  HE#) (resid  40 and name  HB#) 3.0 1.2 3.7          
assign (resid  15 and name  HE#) (resid  54 and name   HA) 4.0 2.2 3.2          
assign (resid  16 and name   HA) (resid  16 and name   HB) 3.0 1.2 0.5          
assign (resid  16 and name   HA) (resid  16 and name   HN) 4.0 2.2 1.0          
assign (resid  16 and name   HA) (resid  16 and name HD1#) 3.0 1.2 1.5          
assign (resid  16 and name   HA) (resid  16 and name HG11) 3.0 1.2 0.5          
assign (resid  16 and name   HA) (resid  16 and name HG12) 3.0 1.2 0.5          
assign (resid  16 and name   HA) (resid  16 and name HG2#) 3.0 1.2 1.5          
assign (resid  16 and name   HA) (resid  17 and name   HN) 2.4 0.6 0.3          
assign (resid  16 and name   HB) (resid  16 and name   HN) 3.0 1.2 0.5          
assign (resid  16 and name   HB) (resid  16 and name HD1#) 3.0 1.2 1.5          
assign (resid  16 and name   HB) (resid  16 and name HG1#) 3.0 1.2 1.5          
assign (resid  16 and name   HB) (resid  16 and name HG2#) 3.0 1.2 1.5          
assign (resid  16 and name   HB) (resid  51 and name HG2#) 3.0 1.2 1.5          
assign (resid  16 and name HD1#) (resid  16 and name HG11) 3.0 1.2 1.5          
assign (resid  16 and name HD1#) (resid  16 and name HG12) 3.0 1.2 1.5          
assign (resid  16 and name HD1#) (resid  20 and name HD1#) 4.0 2.2 3.0          
assign (resid  16 and name HG1#) (resid  14 and name  HG#) 2.4 0.6 2.3          
assign (resid  16 and name HG1#) (resid  51 and name HG2#) 3.0 1.2 2.5          
assign (resid  16 and name HG2#) (resid  16 and name   HN) 3.0 1.2 1.5          
assign (resid  16 and name HG2#) (resid  16 and name HD1#) 2.4 0.6 2.3          
assign (resid  16 and name HG2#) (resid  16 and name HG11) 3.0 1.2 1.5          
assign (resid  16 and name HG2#) (resid  16 and name HG12) 3.0 1.2 1.5          
assign (resid  16 and name HG2#) (resid  17 and name   HN) 3.0 1.2 1.5          
assign (resid  16 and name HG2#) (resid  59 and name  HH2) 3.0 1.2 1.5          
assign (resid  16 and name HG2#) (resid  59 and name  HZ2) 3.0 1.2 1.5          
assign (resid  17 and name   HA) (resid  17 and name   HN) 3.0 1.2 0.5          
assign (resid  17 and name   HA) (resid  17 and name  HB#) 2.4 0.6 1.3          
assign (resid  17 and name   HA) (resid  18 and name   HN) 3.0 1.2 0.5          
assign (resid  17 and name   HN) (resid  18 and name   HN) 3.0 1.2 0.5          
assign (resid  17 and name  HB#) (resid  17 and name   HN) 3.0 1.2 1.5          
assign (resid  17 and name  HB#) (resid  17 and name HD21) 4.0 2.2 2.0          
assign (resid  17 and name  HB#) (resid  17 and name HD22) 4.0 2.2 2.0          
assign (resid  18 and name   HA) (resid  18 and name   HN) 3.0 1.2 0.5          
assign (resid  18 and name   HA) (resid  18 and name  HB1) 3.0 1.2 0.5          
assign (resid  18 and name   HA) (resid  18 and name  HB2) 3.0 1.2 0.5          
assign (resid  18 and name   HA) (resid  18 and name  HD#) 3.0 1.2 1.5          
assign (resid  18 and name   HA) (resid  19 and name   HN) 2.4 0.6 0.3          
assign (resid  18 and name  HB#) (resid  18 and name  HD#) 3.0 1.2 2.5          
assign (resid  18 and name  HB#) (resid  19 and name   HN) 4.0 2.2 2.0          
assign (resid  18 and name  HB1) (resid  18 and name   HN) 4.0 2.2 1.0          
assign (resid  18 and name  HB2) (resid  18 and name   HN) 4.0 2.2 1.0          
assign (resid  18 and name  HD#) (resid  17 and name   HN) 4.0 2.2 2.0          
assign (resid  18 and name  HD#) (resid  18 and name   HN) 3.0 1.2 1.5          
assign (resid  18 and name  HD#) (resid  19 and name   HN) 4.0 2.2 2.0          
assign (resid  18 and name  HG#) (resid  17 and name   HN) 4.0 2.2 2.0          
assign (resid  18 and name  HG#) (resid  18 and name   HN) 4.0 2.2 2.0          
assign (resid  19 and name   HA) (resid  19 and name   HN) 4.0 2.2 1.0          
assign (resid  19 and name   HA) (resid  20 and name   HN) 3.0 1.2 0.5          
assign (resid  19 and name  HB#) (resid  19 and name  HG#) 3.0 1.2 2.5          
assign (resid  19 and name  HB1) (resid  19 and name   HN) 3.0 1.2 0.5          
assign (resid  19 and name  HB2) (resid  19 and name   HN) 3.0 1.2 0.5          
assign (resid  19 and name  HD#) (resid  19 and name  HG1) 4.0 2.2 2.0          
assign (resid  19 and name  HD#) (resid  19 and name  HG2) 4.0 2.2 2.0          
assign (resid  19 and name  HE#) (resid  19 and name  HD#) 3.0 1.2 2.5          
assign (resid  19 and name  HG#) (resid  19 and name   HN) 3.0 1.2 1.5          
assign (resid  20 and name   HA) (resid  20 and name   HB) 3.0 1.2 0.5          
assign (resid  20 and name   HA) (resid  20 and name   HN) 3.0 1.2 0.5          
assign (resid  20 and name   HA) (resid  20 and name HG2#) 3.0 1.2 1.5          
assign (resid  20 and name   HA) (resid  21 and name  HD1) 3.0 1.2 0.5          
assign (resid  20 and name   HA) (resid  21 and name  HD2) 3.0 1.2 0.5          
assign (resid  20 and name   HB) (resid  20 and name   HN) 3.0 1.2 0.5          
assign (resid  20 and name   HB) (resid  20 and name HG11) 3.0 1.2 0.5          
assign (resid  20 and name   HB) (resid  20 and name HG12) 3.0 1.2 0.5          
assign (resid  20 and name   HB) (resid  20 and name HG2#) 2.4 0.6 1.3          
assign (resid  20 and name   HB) (resid  21 and name  HD1) 4.0 2.2 1.0          
assign (resid  20 and name   HB) (resid  21 and name  HD2) 4.0 2.2 1.0          
assign (resid  20 and name HD1#) (resid  20 and name   HB) 3.0 1.2 1.5          
assign (resid  20 and name HD1#) (resid  20 and name HG11) 3.0 1.2 1.5          
assign (resid  20 and name HD1#) (resid  20 and name HG12) 3.0 1.2 1.5          
assign (resid  20 and name HD1#) (resid  25 and name   HG) 3.0 1.2 1.5          
assign (resid  20 and name HD1#) (resid  25 and name HD2#) 3.0 1.2 2.5          
assign (resid  20 and name HG1#) (resid  20 and name   HN) 4.0 2.2 2.0          
assign (resid  20 and name HG11) (resid  20 and name HG2#) 2.4 0.6 1.3          
assign (resid  20 and name HG12) (resid  20 and name HG2#) 2.4 0.6 1.3          
assign (resid  20 and name HG2#) (resid  21 and name  HD1) 4.0 2.2 2.0          
assign (resid  20 and name HG2#) (resid  21 and name  HD2) 4.0 2.2 2.0          
assign (resid  20 and name HG2#) (resid  25 and name HD2#) 3.0 1.2 2.5          
assign (resid  21 and name   HA) (resid  21 and name  HB1) 3.0 1.2 0.5          
assign (resid  21 and name   HA) (resid  22 and name   HN) 2.4 0.6 0.3          
assign (resid  21 and name  HB1) (resid  22 and name   HN) 4.0 2.2 1.0          
assign (resid  21 and name  HD#) (resid  21 and name  HG#) 3.0 1.2 2.5          
assign (resid  22 and name   HA) (resid  22 and name   HN) 3.0 1.2 0.5          
assign (resid  22 and name   HA) (resid  22 and name  HB1) 4.0 2.2 1.0          
assign (resid  22 and name   HA) (resid  22 and name  HB2) 4.0 2.2 1.0          
assign (resid  22 and name   HA) (resid  25 and name   HG) 4.0 2.2 1.0          
assign (resid  22 and name   HA) (resid  25 and name HD1#) 3.0 1.2 1.5          
assign (resid  22 and name   HN) (resid  23 and name   HN) 3.0 1.2 0.5          
assign (resid  22 and name  HB#) (resid  23 and name   HN) 4.0 2.2 2.0          
assign (resid  22 and name  HB1) (resid  22 and name   HN) 3.0 1.2 0.5          
assign (resid  22 and name  HB2) (resid  22 and name   HN) 3.0 1.2 0.5          
assign (resid  22 and name  HD#) (resid  22 and name   HN) 4.0 2.2 2.0          
assign (resid  23 and name   HA) (resid  23 and name   HN) 3.0 1.2 0.5          
assign (resid  23 and name   HA) (resid  23 and name  HB#) 2.4 0.6 1.3          
assign (resid  23 and name   HA) (resid  23 and name  HG#) 3.0 1.2 1.5          
assign (resid  23 and name   HA) (resid  24 and name   HN) 3.0 1.2 0.5          
assign (resid  23 and name   HN) (resid  24 and name   HN) 3.0 1.2 0.5          
assign (resid  23 and name  HB#) (resid  23 and name   HN) 3.0 1.2 1.5          
assign (resid  23 and name  HG#) (resid  23 and name   HN) 4.0 2.2 2.0          
assign (resid  23 and name  HG#) (resid  23 and name HE2#) 4.0 2.2 2.0          
assign (resid  24 and name   HA) (resid  24 and name   HN) 3.0 1.2 0.5          
assign (resid  24 and name   HA) (resid  24 and name  HB1) 3.0 1.2 0.5          
assign (resid  24 and name   HA) (resid  24 and name  HB2) 3.0 1.2 0.5          
assign (resid  24 and name   HA) (resid  25 and name   HN) 3.0 1.2 0.5          
assign (resid  24 and name   HA) (resid  46 and name   HN) 4.0 2.2 1.0          
assign (resid  24 and name   HN) (resid  25 and name   HN) 3.0 1.2 0.5          
assign (resid  24 and name  HB1) (resid  24 and name   HN) 4.0 2.2 1.0          
assign (resid  24 and name  HB2) (resid  24 and name   HN) 4.0 2.2 1.0          
assign (resid  24 and name  HD#) (resid  24 and name  HG#) 3.0 1.2 2.5          
assign (resid  24 and name  HD1) (resid  24 and name   HA) 4.0 2.2 1.0          
assign (resid  24 and name  HD2) (resid  24 and name   HA) 4.0 2.2 1.0          
assign (resid  24 and name  HG#) (resid  24 and name   HN) 3.0 1.2 1.5          
assign (resid  25 and name   HA) (resid  25 and name   HN) 3.0 1.2 0.5          
assign (resid  25 and name   HA) (resid  25 and name HD2#) 3.0 1.2 1.5          
assign (resid  25 and name   HA) (resid  26 and name   HN) 3.0 1.2 0.5          
assign (resid  25 and name   HA) (resid  27 and name   HN) 4.0 2.2 1.0          
assign (resid  25 and name   HA) (resid  45 and name   HA) 3.0 1.2 0.5          
assign (resid  25 and name   HG) (resid  25 and name   HN) 4.0 2.2 1.0          
assign (resid  25 and name   HG) (resid  25 and name HD1#) 3.0 1.2 1.5          
assign (resid  25 and name   HG) (resid  67 and name HD2#) 3.0 1.2 1.5          
assign (resid  25 and name  HB#) (resid  25 and name   HG) 3.0 1.2 1.5          
assign (resid  25 and name  HB1) (resid  20 and name HG2#) 4.0 2.2 2.0          
assign (resid  25 and name  HB1) (resid  25 and name   HA) 4.0 2.2 1.0          
assign (resid  25 and name  HB1) (resid  25 and name   HN) 3.0 1.2 0.5          
assign (resid  25 and name  HB1) (resid  25 and name HD1#) 3.0 1.2 1.5          
assign (resid  25 and name  HB1) (resid  25 and name HD2#) 3.0 1.2 1.5          
assign (resid  25 and name  HB2) (resid  20 and name HG2#) 4.0 2.2 2.0          
assign (resid  25 and name  HB2) (resid  25 and name   HA) 4.0 2.2 1.0          
assign (resid  25 and name  HB2) (resid  25 and name   HN) 3.0 1.2 0.5          
assign (resid  25 and name  HB2) (resid  25 and name HD1#) 3.0 1.2 1.5          
assign (resid  25 and name  HB2) (resid  25 and name HD2#) 3.0 1.2 1.5          
assign (resid  25 and name  HD#) (resid  20 and name HG2#) 3.0 1.2 3.8          
assign (resid  25 and name  HD#) (resid  21 and name  HG#) 3.0 1.2 3.8          
assign (resid  25 and name  HD#) (resid  25 and name   HG) 3.0 1.2 2.8          
assign (resid  25 and name  HD#) (resid  26 and name   HN) 3.0 1.2 2.8          
assign (resid  25 and name  HD#) (resid  43 and name  HB#) 3.0 1.2 3.8          
assign (resid  25 and name  HD#) (resid  43 and name  HD#) 4.0 2.2 5.5          
assign (resid  25 and name  HD#) (resid  45 and name   HA) 3.0 1.2 2.8          
assign (resid  25 and name  HD#) (resid  45 and name HG2#) 2.4 0.6 3.6          
assign (resid  25 and name  HD#) (resid  60 and name HG2#) 3.0 1.2 3.8          
assign (resid  25 and name  HD#) (resid  63 and name  HD#) 3.0 1.2 5.0          
assign (resid  25 and name HD1#) (resid  25 and name   HN) 4.0 2.2 2.0          
assign (resid  25 and name HD1#) (resid  25 and name HD2#) 2.4 0.6 2.3          
assign (resid  25 and name HD1#) (resid  67 and name HD1#) 3.0 1.2 2.5          
assign (resid  25 and name HD2#) (resid  25 and name   HN) 4.0 2.2 2.0          
assign (resid  25 and name HD2#) (resid  67 and name HD1#) 3.0 1.2 2.5          
assign (resid  26 and name   HA) (resid  26 and name   HN) 3.0 1.2 0.5          
assign (resid  26 and name   HA) (resid  27 and name   HN) 4.0 2.2 1.0          
assign (resid  26 and name   HN) (resid  27 and name   HN) 3.0 1.2 0.5          
assign (resid  26 and name  HB1) (resid  26 and name   HA) 3.0 1.2 0.5          
assign (resid  26 and name  HB1) (resid  26 and name   HN) 3.0 1.2 0.5          
assign (resid  26 and name  HB1) (resid  26 and name  HG#) 3.0 1.2 1.5          
assign (resid  26 and name  HB1) (resid  27 and name   HN) 3.0 1.2 0.5          
assign (resid  26 and name  HB2) (resid  26 and name   HA) 3.0 1.2 0.5          
assign (resid  26 and name  HB2) (resid  26 and name   HN) 3.0 1.2 0.5          
assign (resid  26 and name  HG#) (resid  26 and name   HA) 3.0 1.2 1.5          
assign (resid  27 and name   HA) (resid  27 and name   HN) 3.0 1.2 0.5          
assign (resid  27 and name   HA) (resid  28 and name   HN) 3.0 1.2 0.5          
assign (resid  27 and name   HN) (resid  44 and name   HN) 4.0 2.2 1.0          
assign (resid  27 and name  HB1) (resid  27 and name   HA) 3.0 1.2 0.5          
assign (resid  27 and name  HB1) (resid  28 and name   HN) 3.0 1.2 0.5          
assign (resid  27 and name  HB2) (resid  27 and name   HA) 3.0 1.2 0.5          
assign (resid  27 and name  HB2) (resid  28 and name   HN) 3.0 1.2 0.5          
assign (resid  28 and name   HA) (resid  28 and name   HN) 4.0 2.2 1.0          
assign (resid  28 and name   HA) (resid  28 and name  HB1) 3.0 1.2 0.5          
assign (resid  28 and name   HA) (resid  28 and name  HB2) 3.0 1.2 0.5          
assign (resid  28 and name   HA) (resid  28 and name  HD#) 4.0 2.2 3.2          
assign (resid  28 and name   HA) (resid  29 and name   HN) 3.0 1.2 0.5          
assign (resid  28 and name   HA) (resid  43 and name   HA) 3.0 1.2 0.5          
assign (resid  28 and name   HA) (resid  44 and name   HN) 4.0 2.2 1.0          
assign (resid  28 and name  HB1) (resid  28 and name  HD#) 3.0 1.2 2.7          
assign (resid  28 and name  HB1) (resid  29 and name   HN) 4.0 2.2 1.0          
assign (resid  28 and name  HB1) (resid  41 and name HG2#) 3.0 1.2 1.5          
assign (resid  28 and name  HB1) (resid  43 and name  HD#) 3.0 1.2 2.7          
assign (resid  28 and name  HB2) (resid  28 and name  HD#) 3.0 1.2 2.7          
assign (resid  28 and name  HB2) (resid  29 and name   HN) 4.0 2.2 1.0          
assign (resid  28 and name  HB2) (resid  41 and name HG2#) 3.0 1.2 1.5          
assign (resid  28 and name  HB2) (resid  43 and name  HD#) 3.0 1.2 2.7          
assign (resid  28 and name  HD#) (resid  27 and name   HA) 4.0 2.2 3.2          
assign (resid  28 and name  HD#) (resid  28 and name   HN) 3.0 1.2 2.7          
assign (resid  28 and name  HD#) (resid  29 and name   HA) 3.0 1.2 2.7          
assign (resid  28 and name  HD#) (resid  29 and name   HN) 4.0 2.2 3.2          
assign (resid  28 and name  HD#) (resid  64 and name   HA) 3.0 1.2 2.7          
assign (resid  28 and name  HD#) (resid  67 and name   HN) 4.0 2.2 3.2          
assign (resid  28 and name  HE#) (resid  28 and name  HB1) 4.0 2.2 3.2          
assign (resid  28 and name  HE#) (resid  28 and name  HB2) 4.0 2.2 3.2          
assign (resid  28 and name  HE#) (resid  41 and name HG1#) 4.0 2.2 4.2          
assign (resid  28 and name  HE#) (resid  67 and name  HB1) 3.0 1.2 2.7          
assign (resid  28 and name  HE#) (resid  67 and name  HB2) 3.0 1.2 2.7          
assign (resid  28 and name  HE#) (resid  67 and name HD1#) 4.0 2.2 4.2          
assign (resid  28 and name  HE#) (resid  67 and name HD2#) 4.0 2.2 4.2          
assign (resid  28 and name  HE#) (resid  68 and name   HA) 4.0 2.2 3.2          
assign (resid  29 and name   HA) (resid  29 and name   HN) 3.0 1.2 0.5          
assign (resid  29 and name   HA) (resid  29 and name  HB1) 3.0 1.2 0.5          
assign (resid  29 and name   HA) (resid  29 and name  HB2) 3.0 1.2 0.5          
assign (resid  29 and name   HA) (resid  30 and name   HN) 2.4 0.6 0.3          
assign (resid  29 and name   HN) (resid  42 and name   HN) 3.0 1.2 0.5          
assign (resid  29 and name  HB#) (resid  29 and name   HN) 3.0 1.2 1.5          
assign (resid  29 and name  HB1) (resid  29 and name  HG#) 3.0 1.2 1.5          
assign (resid  29 and name  HB1) (resid  30 and name   HN) 4.0 2.2 1.0          
assign (resid  29 and name  HB2) (resid  29 and name  HG#) 3.0 1.2 1.5          
assign (resid  29 and name  HB2) (resid  30 and name   HN) 4.0 2.2 1.0          
assign (resid  29 and name  HD#) (resid  29 and name  HB#) 3.0 1.2 2.5          
assign (resid  29 and name  HD1) (resid  29 and name   HE) 4.0 2.2 1.0          
assign (resid  29 and name  HD2) (resid  29 and name   HE) 4.0 2.2 1.0          
assign (resid  30 and name   HA) (resid  30 and name   HN) 3.0 1.2 0.5          
assign (resid  30 and name   HA) (resid  31 and name   HN) 2.4 0.6 0.3          
assign (resid  30 and name  HB#) (resid  30 and name  HG#) 3.0 1.2 2.5          
assign (resid  30 and name  HB1) (resid  30 and name   HA) 3.0 1.2 0.5          
assign (resid  30 and name  HB1) (resid  30 and name   HN) 4.0 2.2 1.0          
assign (resid  30 and name  HB1) (resid  30 and name  HD#) 3.0 1.2 1.5          
assign (resid  30 and name  HB1) (resid  31 and name   HN) 3.0 1.2 0.5          
assign (resid  30 and name  HB2) (resid  30 and name   HA) 3.0 1.2 0.5          
assign (resid  30 and name  HB2) (resid  30 and name   HN) 4.0 2.2 1.0          
assign (resid  30 and name  HB2) (resid  30 and name  HD#) 3.0 1.2 1.5          
assign (resid  30 and name  HD#) (resid  28 and name  HE#) 3.0 1.2 3.7          
assign (resid  30 and name  HD#) (resid  30 and name   HA) 3.0 1.2 1.5          
assign (resid  30 and name  HD#) (resid  30 and name  HG1) 3.0 1.2 1.5          
assign (resid  30 and name  HD#) (resid  30 and name  HG2) 3.0 1.2 1.5          
assign (resid  30 and name  HG#) (resid  30 and name   HN) 3.0 1.2 1.5          
assign (resid  31 and name   HA) (resid  31 and name   HN) 3.0 1.2 0.5          
assign (resid  31 and name   HA) (resid  32 and name   HN) 2.4 0.6 0.3          
assign (resid  31 and name   HB) (resid  31 and name HG2#) 2.4 0.6 1.3          
assign (resid  31 and name   HN) (resid  40 and name   HN) 3.0 1.2 0.5          
assign (resid  31 and name HG2#) (resid  12 and name   HN) 4.0 2.2 2.0          
assign (resid  31 and name HG2#) (resid  31 and name   HN) 3.0 1.2 1.5          
assign (resid  31 and name HG2#) (resid  40 and name   HN) 4.0 2.2 2.0          
assign (resid  31 and name HG2#) (resid  40 and name  HB#) 3.0 1.2 2.5          
assign (resid  31 and name HG2#) (resid  42 and name HD1#) 2.4 0.6 2.3          
assign (resid  32 and name   HA) (resid  32 and name   HN) 3.0 1.2 0.5          
assign (resid  32 and name   HA) (resid  32 and name HG2#) 2.4 0.6 1.3          
assign (resid  32 and name   HA) (resid  33 and name   HN) 3.0 1.2 0.5          
assign (resid  32 and name   HB) (resid  32 and name   HA) 3.0 1.2 0.5          
assign (resid  32 and name   HB) (resid  32 and name   HN) 3.0 1.2 0.5          
assign (resid  32 and name   HB) (resid  32 and name HG2#) 2.4 0.6 1.3          
assign (resid  32 and name   HN) (resid  33 and name   HN) 4.0 2.2 1.0          
assign (resid  32 and name HG2#) (resid  32 and name   HN) 3.0 1.2 1.5          
assign (resid  32 and name HG2#) (resid  33 and name   HN) 4.0 2.2 2.0          
assign (resid  33 and name   HA) (resid  33 and name   HN) 3.0 1.2 0.5          
assign (resid  33 and name   HA) (resid  33 and name  HB1) 3.0 1.2 0.5          
assign (resid  33 and name   HA) (resid  33 and name  HB2) 3.0 1.2 0.5          
assign (resid  33 and name   HA) (resid  34 and name   HN) 3.0 1.2 0.5          
assign (resid  33 and name   HA) (resid  36 and name   HN) 4.0 2.2 1.0          
assign (resid  33 and name  HB1) (resid  33 and name   HN) 3.0 1.2 0.5          
assign (resid  33 and name  HB2) (resid  33 and name   HN) 3.0 1.2 0.5          
assign (resid  34 and name   HA) (resid  34 and name   HN) 3.0 1.2 0.5          
assign (resid  34 and name   HA) (resid  34 and name  HB#) 2.4 0.6 1.3          
assign (resid  34 and name   HA) (resid  36 and name   HN) 4.0 2.2 1.0          
assign (resid  34 and name   HN) (resid  35 and name   HN) 4.0 2.2 1.0          
assign (resid  34 and name  HB#) (resid  34 and name   HN) 3.0 1.2 1.5          
assign (resid  34 and name  HB#) (resid  35 and name   HN) 3.0 1.2 1.5          
assign (resid  34 and name  HB#) (resid  36 and name   HN) 4.0 2.2 2.0          
assign (resid  35 and name   HA) (resid  35 and name   HN) 3.0 1.2 0.5          
assign (resid  35 and name  HB#) (resid  35 and name   HN) 3.0 1.2 1.5          
assign (resid  35 and name  HB#) (resid  36 and name   HN) 4.0 2.2 2.0          
assign (resid  35 and name  HB1) (resid  35 and name   HA) 3.0 1.2 0.5          
assign (resid  35 and name  HB2) (resid  35 and name   HA) 3.0 1.2 0.5          
assign (resid  36 and name   HA) (resid  36 and name   HN) 3.0 1.2 0.5          
assign (resid  36 and name   HA) (resid  36 and name  HB1) 3.0 1.2 0.5          
assign (resid  36 and name   HA) (resid  36 and name  HB2) 3.0 1.2 0.5          
assign (resid  36 and name   HA) (resid  37 and name  HD1) 3.0 1.2 0.5          
assign (resid  36 and name   HA) (resid  37 and name  HD2) 3.0 1.2 0.5          
assign (resid  36 and name   HN) (resid  35 and name   HN) 4.0 2.2 1.0          
assign (resid  36 and name  HB1) (resid  36 and name   HN) 3.0 1.2 0.5          
assign (resid  36 and name  HB1) (resid  37 and name  HD2) 4.0 2.2 1.0          
assign (resid  36 and name  HB1) (resid  38 and name   HN) 4.0 2.2 1.0          
assign (resid  36 and name  HB2) (resid  36 and name   HN) 3.0 1.2 0.5          
assign (resid  37 and name   HA) (resid  37 and name  HB1) 3.0 1.2 0.5          
assign (resid  37 and name   HA) (resid  37 and name  HB2) 3.0 1.2 0.5          
assign (resid  37 and name   HA) (resid  37 and name  HG1) 4.0 2.2 1.0          
assign (resid  37 and name   HA) (resid  38 and name   HN) 4.0 2.2 1.0          
assign (resid  37 and name  HB1) (resid  37 and name  HG1) 3.0 1.2 0.5          
assign (resid  37 and name  HB2) (resid  38 and name   HN) 4.0 2.2 1.0          
assign (resid  37 and name  HD1) (resid  36 and name   HN) 4.0 2.2 1.0          
assign (resid  37 and name  HD1) (resid  36 and name  HB1) 4.0 2.2 1.0          
assign (resid  37 and name  HD1) (resid  37 and name  HG1) 3.0 1.2 0.5          
assign (resid  37 and name  HD1) (resid  37 and name  HG2) 3.0 1.2 0.5          
assign (resid  37 and name  HD2) (resid  37 and name  HG1) 3.0 1.2 0.5          
assign (resid  37 and name  HD2) (resid  37 and name  HG2) 3.0 1.2 0.5          
assign (resid  37 and name  HD2) (resid  38 and name   HN) 3.0 1.2 0.5          
assign (resid  38 and name   HA) (resid  38 and name   HN) 3.0 1.2 0.5          
assign (resid  38 and name   HA) (resid  38 and name  HB1) 3.0 1.2 0.5          
assign (resid  38 and name   HA) (resid  39 and name   HN) 2.4 0.6 0.3          
assign (resid  38 and name  HB#) (resid  38 and name  HG#) 2.4 0.6 2.3          
assign (resid  38 and name  HB#) (resid  39 and name   HN) 3.0 1.2 1.5          
assign (resid  38 and name  HB1) (resid  38 and name   HN) 4.0 2.2 1.0          
assign (resid  38 and name  HB1) (resid  38 and name  HD#) 3.0 1.2 1.5          
assign (resid  38 and name  HB2) (resid  38 and name   HA) 3.0 1.2 0.5          
assign (resid  38 and name  HB2) (resid  38 and name   HN) 3.0 1.2 0.5          
assign (resid  38 and name  HB2) (resid  38 and name  HD#) 3.0 1.2 1.5          
assign (resid  38 and name  HD#) (resid  38 and name   HA) 3.0 1.2 1.5          
assign (resid  38 and name  HD#) (resid  38 and name   HE) 3.0 1.2 1.5          
assign (resid  38 and name  HD#) (resid  38 and name  HG#) 2.4 0.6 2.3          
assign (resid  38 and name  HG#) (resid  38 and name   HA) 3.0 1.2 1.5          
assign (resid  38 and name  HG#) (resid  38 and name   HN) 3.0 1.2 1.5          
assign (resid  39 and name   HA) (resid  39 and name   HN) 3.0 1.2 0.5          
assign (resid  39 and name   HA) (resid  39 and name  HB#) 2.4 0.6 1.3          
assign (resid  39 and name   HA) (resid  40 and name   HN) 2.4 0.6 0.3          
assign (resid  39 and name  HB#) (resid  39 and name   HN) 3.0 1.2 1.5          
assign (resid  39 and name  HB#) (resid  39 and name  HG1) 2.4 0.6 1.3          
assign (resid  39 and name  HB#) (resid  39 and name  HG2) 2.4 0.6 1.3          
assign (resid  39 and name  HB#) (resid  40 and name   HN) 3.0 1.2 1.5          
assign (resid  39 and name  HG#) (resid  39 and name   HA) 4.0 2.2 2.0          
assign (resid  39 and name  HG#) (resid  39 and name   HN) 3.0 1.2 1.5          
assign (resid  40 and name   HA) (resid  40 and name   HN) 3.0 1.2 0.5          
assign (resid  40 and name   HA) (resid  40 and name  HB#) 3.0 1.2 1.5          
assign (resid  40 and name   HA) (resid  41 and name   HN) 2.4 0.6 0.3          
assign (resid  40 and name   HA) (resid  55 and name  HD1) 3.0 1.2 0.5          
assign (resid  40 and name   HA) (resid  55 and name  HD2) 3.0 1.2 0.5          
assign (resid  40 and name  HB#) (resid  15 and name   HZ) 3.0 1.2 1.5          
assign (resid  40 and name  HB#) (resid  15 and name  HD#) 4.0 2.2 4.2          
assign (resid  40 and name  HB#) (resid  38 and name  HB1) 3.0 1.2 1.5          
assign (resid  40 and name  HB#) (resid  38 and name  HB2) 3.0 1.2 1.5          
assign (resid  40 and name  HB#) (resid  40 and name   HN) 3.0 1.2 1.5          
assign (resid  40 and name  HB#) (resid  41 and name   HN) 2.4 0.6 1.3          
assign (resid  40 and name  HB#) (resid  53 and name  HB#) 3.0 1.2 2.5          
assign (resid  41 and name   HA) (resid  30 and name   HA) 3.0 1.2 0.5          
assign (resid  41 and name   HA) (resid  31 and name   HN) 4.0 2.2 1.0          
assign (resid  41 and name   HA) (resid  41 and name   HB) 3.0 1.2 0.5          
assign (resid  41 and name   HA) (resid  41 and name   HN) 3.0 1.2 0.5          
assign (resid  41 and name   HA) (resid  41 and name HG1#) 3.0 1.2 1.5          
assign (resid  41 and name   HA) (resid  41 and name HG2#) 3.0 1.2 1.5          
assign (resid  41 and name   HA) (resid  42 and name   HN) 2.4 0.6 0.3          
assign (resid  41 and name   HB) (resid  41 and name   HN) 3.0 1.2 0.5          
assign (resid  41 and name   HB) (resid  41 and name HG1#) 3.0 1.2 1.5          
assign (resid  41 and name   HB) (resid  41 and name HG2#) 3.0 1.2 1.5          
assign (resid  41 and name   HB) (resid  60 and name HG2#) 3.0 1.2 1.5          
assign (resid  41 and name   HN) (resid  53 and name   HN) 4.0 2.2 1.0          
assign (resid  41 and name HG1#) (resid  20 and name HD1#) 2.4 0.6 2.3          
assign (resid  41 and name HG1#) (resid  28 and name  HD#) 4.0 2.2 4.2          
assign (resid  41 and name HG1#) (resid  30 and name   HA) 4.0 2.2 2.0          
assign (resid  41 and name HG1#) (resid  41 and name   HN) 3.0 1.2 1.5          
assign (resid  41 and name HG1#) (resid  41 and name HG2#) 2.4 0.6 2.3          
assign (resid  41 and name HG1#) (resid  43 and name  HD#) 4.0 2.2 4.2          
assign (resid  41 and name HG1#) (resid  55 and name   HA) 3.0 1.2 1.5          
assign (resid  41 and name HG1#) (resid  55 and name  HB#) 3.0 1.2 2.5          
assign (resid  41 and name HG1#) (resid  60 and name HG2#) 2.4 0.6 2.3          
assign (resid  41 and name HG1#) (resid  64 and name  HE#) 2.4 0.6 2.3          
assign (resid  41 and name HG2#) (resid  28 and name  HD#) 3.0 1.2 3.7          
assign (resid  41 and name HG2#) (resid  28 and name  HE#) 3.0 1.2 3.7          
assign (resid  41 and name HG2#) (resid  30 and name   HA) 4.0 2.2 2.0          
assign (resid  41 and name HG2#) (resid  41 and name   HN) 3.0 1.2 1.5          
assign (resid  41 and name HG2#) (resid  42 and name   HN) 3.0 1.2 1.5          
assign (resid  41 and name HG2#) (resid  42 and name HG2#) 3.0 1.2 2.5          
assign (resid  41 and name HG2#) (resid  43 and name  HD#) 3.0 1.2 3.7          
assign (resid  41 and name HG2#) (resid  60 and name HG2#) 3.0 1.2 2.5          
assign (resid  41 and name HG2#) (resid  64 and name  HE#) 3.0 1.2 2.5          
assign (resid  42 and name   HA) (resid  42 and name   HN) 4.0 2.2 1.0          
assign (resid  42 and name   HA) (resid  42 and name HG2#) 3.0 1.2 1.5          
assign (resid  42 and name   HA) (resid  43 and name   HN) 3.0 1.2 0.5          
assign (resid  42 and name   HA) (resid  52 and name   HA) 3.0 1.2 0.5          
assign (resid  42 and name   HB) (resid  42 and name   HN) 3.0 1.2 0.5          
assign (resid  42 and name   HB) (resid  42 and name HD1#) 3.0 1.2 1.5          
assign (resid  42 and name   HB) (resid  42 and name HG1#) 3.0 1.2 1.5          
assign (resid  42 and name   HB) (resid  42 and name HG2#) 3.0 1.2 1.5          
assign (resid  42 and name HD1#) (resid  42 and name   HA) 3.0 1.2 1.5          
assign (resid  42 and name HD1#) (resid  42 and name HG11) 2.4 0.6 1.3          
assign (resid  42 and name HD1#) (resid  42 and name HG12) 2.4 0.6 1.3          
assign (resid  42 and name HG1#) (resid  42 and name   HN) 4.0 2.2 2.0          
assign (resid  42 and name HG1#) (resid  42 and name HG2#) 3.0 1.2 2.5          
assign (resid  42 and name HG2#) (resid  42 and name HD1#) 2.4 0.6 2.3          
assign (resid  42 and name HG2#) (resid  43 and name   HN) 3.0 1.2 1.5          
assign (resid  42 and name HG2#) (resid  50 and name   HA) 3.0 1.2 1.5          
assign (resid  42 and name HG2#) (resid  50 and name  HB1) 3.0 1.2 1.5          
assign (resid  42 and name HG2#) (resid  50 and name  HG1) 3.0 1.2 1.5          
assign (resid  42 and name HG2#) (resid  50 and name  HG2) 3.0 1.2 1.5          
assign (resid  42 and name HG2#) (resid  51 and name   HN) 3.0 1.2 1.5          
assign (resid  43 and name   HA) (resid  43 and name   HN) 4.0 2.2 1.0          
assign (resid  43 and name   HA) (resid  43 and name  HB1) 3.0 1.2 0.5          
assign (resid  43 and name   HA) (resid  43 and name  HB2) 3.0 1.2 0.5          
assign (resid  43 and name   HA) (resid  43 and name  HD#) 3.0 1.2 2.7          
assign (resid  43 and name   HA) (resid  44 and name   HN) 3.0 1.2 0.5          
assign (resid  43 and name   HZ) (resid  60 and name   HA) 3.0 1.2 0.5          
assign (resid  43 and name   HZ) (resid  60 and name HG1#) 4.0 2.2 2.0          
assign (resid  43 and name   HZ) (resid  60 and name HG2#) 3.0 1.2 1.5          
assign (resid  43 and name   HZ) (resid  63 and name  HB#) 4.0 2.2 2.0          
assign (resid  43 and name   HZ) (resid  64 and name  HG#) 4.0 2.2 2.0          
assign (resid  43 and name  HB1) (resid  43 and name   HN) 4.0 2.2 1.0          
assign (resid  43 and name  HB1) (resid  43 and name  HD#) 4.0 2.2 3.2          
assign (resid  43 and name  HB2) (resid  43 and name   HN) 4.0 2.2 1.0          
assign (resid  43 and name  HB2) (resid  43 and name  HD#) 4.0 2.2 3.2          
assign (resid  43 and name  HD#) (resid  25 and name HD1#) 4.0 2.2 4.2          
assign (resid  43 and name  HD#) (resid  25 and name HD2#) 4.0 2.2 4.2          
assign (resid  43 and name  HD#) (resid  28 and name   HA) 4.0 2.2 3.2          
assign (resid  43 and name  HD#) (resid  43 and name   HN) 4.0 2.2 3.2          
assign (resid  43 and name  HD#) (resid  51 and name   HB) 4.0 2.2 3.2          
assign (resid  43 and name  HD#) (resid  67 and name HD1#) 3.0 1.2 3.7          
assign (resid  43 and name  HD#) (resid  67 and name HD2#) 3.0 1.2 3.7          
assign (resid  43 and name  HE#) (resid  25 and name  HD#) 4.0 2.2 5.5          
assign (resid  43 and name  HE#) (resid  41 and name HG2#) 4.0 2.2 4.2          
assign (resid  43 and name  HE#) (resid  43 and name  HB2) 3.0 1.2 2.7          
assign (resid  43 and name  HE#) (resid  60 and name   HA) 4.0 2.2 3.2          
assign (resid  43 and name  HE#) (resid  63 and name  HB#) 4.0 2.2 4.2          
assign (resid  43 and name  HE#) (resid  64 and name   HA) 4.0 2.2 3.2          
assign (resid  44 and name   HA) (resid  44 and name   HN) 4.0 2.2 1.0          
assign (resid  44 and name   HA) (resid  44 and name  HB1) 3.0 1.2 0.5          
assign (resid  44 and name   HA) (resid  44 and name  HB2) 3.0 1.2 0.5          
assign (resid  44 and name   HA) (resid  44 and name  HD#) 3.0 1.2 1.5          
assign (resid  44 and name   HA) (resid  44 and name  HG#) 4.0 2.2 2.0          
assign (resid  44 and name   HA) (resid  45 and name   HN) 2.4 0.6 0.3          
assign (resid  44 and name  HB1) (resid  29 and name   HN) 4.0 2.2 1.0          
assign (resid  44 and name  HB1) (resid  44 and name   HN) 4.0 2.2 1.0          
assign (resid  44 and name  HB1) (resid  44 and name  HD#) 3.0 1.2 1.5          
assign (resid  44 and name  HB2) (resid  44 and name   HN) 4.0 2.2 1.0          
assign (resid  44 and name  HB2) (resid  44 and name  HD#) 3.0 1.2 1.5          
assign (resid  44 and name  HD#) (resid  45 and name   HN) 4.0 2.2 2.0          
assign (resid  45 and name   HA) (resid  26 and name   HN) 3.0 1.2 0.5          
assign (resid  45 and name   HA) (resid  45 and name   HN) 3.0 1.2 0.5          
assign (resid  45 and name   HA) (resid  45 and name HG2#) 3.0 1.2 1.5          
assign (resid  45 and name   HA) (resid  46 and name   HN) 3.0 1.2 0.5          
assign (resid  45 and name   HB) (resid  46 and name   HN) 4.0 2.2 1.0          
assign (resid  45 and name   HB) (resid  47 and name   HN) 4.0 2.2 1.0          
assign (resid  45 and name   HN) (resid  46 and name   HN) 4.0 2.2 1.0          
assign (resid  45 and name   HN) (resid  49 and name   HN) 3.0 1.2 0.5          
assign (resid  45 and name HG2#) (resid  44 and name   HA) 4.0 2.2 2.0          
assign (resid  45 and name HG2#) (resid  45 and name   HB) 2.4 0.6 1.3          
assign (resid  45 and name HG2#) (resid  45 and name   HN) 2.4 0.6 1.3          
assign (resid  45 and name HG2#) (resid  46 and name   HN) 3.0 1.2 1.5          
assign (resid  45 and name HG2#) (resid  48 and name   HN) 3.0 1.2 1.5          
assign (resid  45 and name HG2#) (resid  49 and name   HN) 4.0 2.2 2.0          
assign (resid  45 and name HG2#) (resid  51 and name   HN) 4.0 2.2 2.0          
assign (resid  45 and name HG2#) (resid  51 and name HD1#) 2.4 0.6 2.3          
assign (resid  46 and name   HA) (resid  46 and name   HN) 3.0 1.2 0.5          
assign (resid  46 and name   HA) (resid  46 and name  HB#) 3.0 1.2 1.5          
assign (resid  46 and name   HA) (resid  47 and name   HN) 3.0 1.2 0.5          
assign (resid  46 and name  HB#) (resid  46 and name   HN) 3.0 1.2 1.5          
assign (resid  46 and name  HG#) (resid  46 and name   HA) 3.0 1.2 1.5          
assign (resid  46 and name  HG#) (resid  46 and name   HN) 3.0 1.2 1.5          
assign (resid  46 and name  HG#) (resid  46 and name  HB1) 3.0 1.2 1.5          
assign (resid  46 and name  HG#) (resid  46 and name  HB2) 3.0 1.2 1.5          
assign (resid  46 and name  HG#) (resid  46 and name  HE#) 3.0 1.2 2.5          
assign (resid  47 and name   HA) (resid  47 and name   HN) 3.0 1.2 0.5          
assign (resid  47 and name   HA) (resid  47 and name  HB1) 3.0 1.2 0.5          
assign (resid  47 and name   HA) (resid  47 and name  HB2) 3.0 1.2 0.5          
assign (resid  47 and name   HA) (resid  47 and name  HD#) 3.0 1.2 2.8          
assign (resid  47 and name   HA) (resid  48 and name   HN) 3.0 1.2 0.5          
assign (resid  47 and name   HG) (resid  47 and name  HB#) 3.0 1.2 1.5          
assign (resid  47 and name   HG) (resid  47 and name  HD#) 2.4 0.6 2.6          
assign (resid  47 and name   HN) (resid  46 and name   HN) 4.0 2.2 1.0          
assign (resid  47 and name   HN) (resid  48 and name   HN) 3.0 1.2 0.5          
assign (resid  47 and name  HB1) (resid  47 and name   HN) 4.0 2.2 1.0          
assign (resid  47 and name  HB1) (resid  47 and name HD1#) 3.0 1.2 1.5          
assign (resid  47 and name  HB2) (resid  47 and name   HN) 4.0 2.2 1.0          
assign (resid  47 and name  HB2) (resid  47 and name HD1#) 3.0 1.2 1.5          
assign (resid  47 and name  HD#) (resid  47 and name   HN) 3.0 1.2 2.8          
assign (resid  47 and name  HD#) (resid  47 and name  HB#) 3.0 1.2 3.8          
assign (resid  48 and name   HA) (resid  48 and name   HN) 2.4 0.6 0.3          
assign (resid  48 and name   HA) (resid  48 and name  HB1) 3.0 1.2 0.5          
assign (resid  48 and name   HA) (resid  48 and name  HB2) 3.0 1.2 0.5          
assign (resid  48 and name   HA) (resid  49 and name   HN) 3.0 1.2 0.5          
assign (resid  48 and name   HN) (resid  49 and name   HN) 3.0 1.2 0.5          
assign (resid  48 and name  HB1) (resid  48 and name   HN) 4.0 2.2 1.0          
assign (resid  48 and name  HB2) (resid  48 and name   HN) 4.0 2.2 1.0          
assign (resid  49 and name   HA) (resid  49 and name   HN) 3.0 1.2 0.5          
assign (resid  49 and name   HA) (resid  50 and name   HN) 2.4 0.6 0.3          
assign (resid  49 and name  HB#) (resid  49 and name   HA) 3.0 1.2 1.5          
assign (resid  49 and name  HB1) (resid  49 and name   HN) 3.0 1.2 0.5          
assign (resid  49 and name  HB2) (resid  49 and name   HN) 3.0 1.2 0.5          
assign (resid  49 and name  HD#) (resid  49 and name   HN) 4.0 2.2 2.0          
assign (resid  49 and name  HG#) (resid  49 and name   HN) 3.0 1.2 1.5          
assign (resid  50 and name   HA) (resid  44 and name   HA) 3.0 1.2 0.5          
assign (resid  50 and name   HA) (resid  45 and name   HN) 3.0 1.2 0.5          
assign (resid  50 and name   HA) (resid  50 and name   HN) 4.0 2.2 1.0          
assign (resid  50 and name   HA) (resid  50 and name  HB1) 3.0 1.2 0.5          
assign (resid  50 and name   HA) (resid  50 and name  HB2) 3.0 1.2 0.5          
assign (resid  50 and name   HA) (resid  50 and name  HG#) 3.0 1.2 1.5          
assign (resid  50 and name   HA) (resid  51 and name   HN) 2.4 0.6 0.3          
assign (resid  50 and name  HB1) (resid  50 and name   HN) 4.0 2.2 1.0          
assign (resid  50 and name  HB2) (resid  29 and name  HG#) 3.0 1.2 1.5          
assign (resid  50 and name  HB2) (resid  50 and name   HN) 4.0 2.2 1.0          
assign (resid  50 and name  HG#) (resid  50 and name  HB#) 3.0 1.2 2.5          
assign (resid  50 and name  HG1) (resid  50 and name   HN) 3.0 1.2 0.5          
assign (resid  50 and name  HG2) (resid  50 and name   HN) 3.0 1.2 0.5          
assign (resid  51 and name   HA) (resid  51 and name   HN) 3.0 1.2 0.5          
assign (resid  51 and name   HA) (resid  51 and name HG2#) 3.0 1.2 1.5          
assign (resid  51 and name   HA) (resid  52 and name   HN) 2.4 0.6 0.3          
assign (resid  51 and name   HB) (resid  43 and name  HB1) 4.0 2.2 1.0          
assign (resid  51 and name   HB) (resid  43 and name  HB2) 4.0 2.2 1.0          
assign (resid  51 and name   HB) (resid  51 and name   HA) 3.0 1.2 0.5          
assign (resid  51 and name   HB) (resid  51 and name   HN) 3.0 1.2 0.5          
assign (resid  51 and name   HB) (resid  51 and name HD1#) 3.0 1.2 1.5          
assign (resid  51 and name   HB) (resid  51 and name HG1#) 3.0 1.2 1.5          
assign (resid  51 and name   HB) (resid  51 and name HG2#) 3.0 1.2 1.5          
assign (resid  51 and name   HN) (resid  43 and name   HN) 4.0 2.2 1.0          
assign (resid  51 and name HD1#) (resid  42 and name HG2#) 2.4 0.6 2.3          
assign (resid  51 and name HD1#) (resid  49 and name   HA) 3.0 1.2 1.5          
assign (resid  51 and name HD1#) (resid  51 and name   HN) 3.0 1.2 1.5          
assign (resid  51 and name HD1#) (resid  51 and name HG2#) 2.4 0.6 2.3          
assign (resid  51 and name HG1#) (resid  51 and name   HA) 3.0 1.2 1.5          
assign (resid  51 and name HG1#) (resid  51 and name HD1#) 3.0 1.2 2.5          
assign (resid  51 and name HG1#) (resid  51 and name HG2#) 3.0 1.2 2.5          
assign (resid  51 and name HG2#) (resid  45 and name HG2#) 4.0 2.2 3.0          
assign (resid  51 and name HG2#) (resid  51 and name   HN) 3.0 1.2 1.5          
assign (resid  51 and name HG2#) (resid  52 and name   HN) 3.0 1.2 1.5          
assign (resid  52 and name   HA) (resid  43 and name   HN) 4.0 2.2 1.0          
assign (resid  52 and name   HA) (resid  52 and name   HN) 4.0 2.2 1.0          
assign (resid  52 and name   HA) (resid  53 and name   HN) 3.0 1.2 0.5          
assign (resid  52 and name  HB1) (resid  52 and name   HA) 4.0 2.2 1.0          
assign (resid  52 and name  HB1) (resid  52 and name   HN) 3.0 1.2 0.5          
assign (resid  52 and name  HB2) (resid  52 and name   HA) 4.0 2.2 1.0          
assign (resid  52 and name  HB2) (resid  52 and name   HN) 3.0 1.2 0.5          
assign (resid  52 and name  HB2) (resid  53 and name   HN) 4.0 2.2 1.0          
assign (resid  53 and name   HA) (resid  15 and name  HD#) 3.0 1.2 2.7          
assign (resid  53 and name   HA) (resid  53 and name   HN) 3.0 1.2 0.5          
assign (resid  53 and name   HA) (resid  53 and name  HB#) 2.4 0.6 1.3          
assign (resid  53 and name   HA) (resid  54 and name   HN) 3.0 1.2 0.5          
assign (resid  53 and name  HB#) (resid  41 and name HG2#) 3.0 1.2 2.5          
assign (resid  53 and name  HB#) (resid  43 and name  HD#) 3.0 1.2 3.7          
assign (resid  53 and name  HB#) (resid  43 and name  HE#) 3.0 1.2 3.7          
assign (resid  53 and name  HB#) (resid  51 and name HG2#) 3.0 1.2 2.5          
assign (resid  53 and name  HB#) (resid  53 and name   HN) 3.0 1.2 1.5          
assign (resid  53 and name  HB#) (resid  54 and name   HN) 3.0 1.2 1.5          
assign (resid  53 and name  HB#) (resid  60 and name HG1#) 2.4 0.6 2.3          
assign (resid  53 and name  HB#) (resid  60 and name HG2#) 3.0 1.2 2.5          
assign (resid  54 and name   HA) (resid  54 and name   HN) 4.0 2.2 1.0          
assign (resid  54 and name  HB1) (resid  54 and name   HA) 3.0 1.2 0.5          
assign (resid  54 and name  HB1) (resid  54 and name   HN) 3.0 1.2 0.5          
assign (resid  54 and name  HB2) (resid  54 and name   HA) 3.0 1.2 0.5          
assign (resid  54 and name  HB2) (resid  54 and name   HN) 3.0 1.2 0.5          
assign (resid  55 and name   HA) (resid  55 and name  HB#) 3.0 1.2 1.5          
assign (resid  55 and name   HA) (resid  60 and name HG1#) 4.0 2.2 2.0          
assign (resid  55 and name   HA) (resid  60 and name HG2#) 3.0 1.2 1.5          
assign (resid  55 and name   HA) (resid  64 and name  HE#) 3.0 1.2 1.5          
assign (resid  55 and name  HB#) (resid  55 and name  HG#) 3.0 1.2 2.5          
assign (resid  55 and name  HD#) (resid  41 and name   HN) 3.0 1.2 1.5          
assign (resid  55 and name  HD#) (resid  56 and name   HN) 4.0 2.2 2.0          
assign (resid  55 and name  HD1) (resid  55 and name  HB#) 4.0 2.2 2.0          
assign (resid  55 and name  HD1) (resid  55 and name  HG2) 4.0 2.2 1.0          
assign (resid  55 and name  HD2) (resid  55 and name  HB#) 4.0 2.2 2.0          
assign (resid  55 and name  HD2) (resid  55 and name  HG2) 4.0 2.2 1.0          
assign (resid  55 and name  HG#) (resid  56 and name   HN) 4.0 2.2 2.0          
assign (resid  56 and name   HA) (resid  56 and name   HB) 3.0 1.2 0.5          
assign (resid  56 and name   HA) (resid  56 and name   HN) 3.0 1.2 0.5          
assign (resid  56 and name   HA) (resid  56 and name HG2#) 2.4 0.6 1.3          
assign (resid  56 and name   HA) (resid  57 and name   HN) 3.0 1.2 0.5          
assign (resid  56 and name   HA) (resid  61 and name HE21) 4.0 2.2 1.0          
assign (resid  56 and name   HA) (resid  61 and name HE22) 4.0 2.2 1.0          
assign (resid  56 and name   HB) (resid  56 and name   HN) 4.0 2.2 1.0          
assign (resid  56 and name   HB) (resid  56 and name HG2#) 2.4 0.6 1.3          
assign (resid  56 and name   HN) (resid  54 and name   HN) 5.0 2.2 1.0          
assign (resid  56 and name   HN) (resid  57 and name   HN) 3.0 1.2 0.5          
assign (resid  56 and name HG2#) (resid  56 and name   HN) 2.4 0.6 1.3          
assign (resid  57 and name   HA) (resid  57 and name   HN) 3.0 1.2 0.5          
assign (resid  57 and name   HA) (resid  57 and name  HB1) 3.0 1.2 0.5          
assign (resid  57 and name   HA) (resid  57 and name  HB2) 3.0 1.2 0.5          
assign (resid  57 and name   HA) (resid  57 and name  HG#) 3.0 1.2 1.5          
assign (resid  57 and name   HA) (resid  58 and name   HN) 2.4 0.6 0.3          
assign (resid  57 and name  HB#) (resid  60 and name   HN) 4.0 2.2 2.0          
assign (resid  57 and name  HB1) (resid  57 and name   HN) 3.0 1.2 0.5          
assign (resid  57 and name  HB1) (resid  58 and name   HN) 3.0 1.2 0.5          
assign (resid  57 and name  HB1) (resid  59 and name   HN) 4.0 2.2 1.0          
assign (resid  57 and name  HB1) (resid  60 and name HG1#) 4.0 2.2 2.0          
assign (resid  57 and name  HB2) (resid  57 and name   HN) 3.0 1.2 0.5          
assign (resid  57 and name  HB2) (resid  60 and name HG1#) 4.0 2.2 2.0          
assign (resid  57 and name  HG1) (resid  57 and name   HN) 4.0 2.2 1.0          
assign (resid  57 and name  HG1) (resid  57 and name  HB1) 3.0 1.2 0.5          
assign (resid  57 and name  HG1) (resid  57 and name  HB2) 3.0 1.2 0.5          
assign (resid  57 and name  HG1) (resid  57 and name HE21) 4.0 2.2 1.0          
assign (resid  57 and name  HG1) (resid  57 and name HE22) 4.0 2.2 1.0          
assign (resid  57 and name  HG2) (resid  57 and name   HN) 4.0 2.2 1.0          
assign (resid  57 and name  HG2) (resid  57 and name  HB1) 3.0 1.2 0.5          
assign (resid  57 and name  HG2) (resid  57 and name  HB2) 3.0 1.2 0.5          
assign (resid  58 and name   HA) (resid  58 and name   HN) 3.0 1.2 0.5          
assign (resid  58 and name   HA) (resid  58 and name  HB#) 2.4 0.6 1.3          
assign (resid  58 and name   HA) (resid  58 and name  HG#) 3.0 1.2 1.5          
assign (resid  58 and name   HA) (resid  59 and name   HN) 4.0 2.2 1.0          
assign (resid  58 and name   HA) (resid  61 and name   HN) 4.0 2.2 1.0          
assign (resid  58 and name   HA) (resid  61 and name  HB#) 3.0 1.2 1.5          
assign (resid  58 and name   HN) (resid  59 and name   HN) 3.0 1.2 0.5          
assign (resid  58 and name  HB#) (resid  58 and name   HN) 3.0 1.2 1.5          
assign (resid  58 and name  HB#) (resid  58 and name  HG#) 2.4 0.6 2.3          
assign (resid  58 and name  HB#) (resid  59 and name   HN) 3.0 1.2 1.5          
assign (resid  58 and name  HD#) (resid  58 and name   HN) 4.0 2.2 2.0          
assign (resid  58 and name  HG#) (resid  58 and name   HN) 4.0 2.2 2.0          
assign (resid  59 and name   HA) (resid  59 and name   HN) 3.0 1.2 0.5          
assign (resid  59 and name   HA) (resid  59 and name  HB#) 3.0 1.2 1.5          
assign (resid  59 and name   HA) (resid  60 and name   HN) 4.0 2.2 1.0          
assign (resid  59 and name   HA) (resid  62 and name   HN) 3.0 1.2 0.5          
assign (resid  59 and name   HA) (resid  62 and name  HB1) 3.0 1.2 0.5          
assign (resid  59 and name   HA) (resid  62 and name  HB2) 3.0 1.2 0.5          
assign (resid  59 and name   HN) (resid  60 and name   HN) 3.0 1.2 0.5          
assign (resid  59 and name   HN) (resid  62 and name   HN) 4.0 2.2 1.0          
assign (resid  59 and name  HB#) (resid  59 and name   HN) 4.0 2.2 2.0          
assign (resid  59 and name  HD1) (resid  57 and name  HB1) 3.0 1.2 0.5          
assign (resid  59 and name  HD1) (resid  57 and name  HB2) 4.0 2.2 1.0          
assign (resid  59 and name  HD1) (resid  59 and name   HN) 4.0 2.2 1.0          
assign (resid  59 and name  HD1) (resid  59 and name  HB1) 3.0 1.2 0.5          
assign (resid  59 and name  HD1) (resid  59 and name  HB2) 4.0 2.2 1.0          
assign (resid  59 and name  HD1) (resid  59 and name  HE1) 3.0 1.2 0.5          
assign (resid  59 and name  HD1) (resid  60 and name   HA) 4.0 2.2 1.0          
assign (resid  59 and name  HD1) (resid  60 and name HG1#) 4.0 2.2 2.0          
assign (resid  59 and name  HE3) (resid  59 and name   HA) 4.0 2.2 1.0          
assign (resid  59 and name  HE3) (resid  59 and name  HB1) 4.0 2.2 1.0          
assign (resid  59 and name  HE3) (resid  59 and name  HB2) 4.0 2.2 1.0          
assign (resid  59 and name  HE3) (resid  60 and name   HA) 4.0 2.2 1.0          
assign (resid  59 and name  HH2) (resid  16 and name HD1#) 4.0 2.2 2.0          
assign (resid  59 and name  HZ2) (resid  16 and name HD1#) 4.0 2.2 2.0          
assign (resid  59 and name  HZ2) (resid  17 and name  HB#) 4.0 2.2 2.0          
assign (resid  59 and name  HZ2) (resid  59 and name  HE1) 3.0 1.2 0.5          
assign (resid  59 and name  HZ2) (resid  60 and name HG1#) 4.0 2.2 2.0          
assign (resid  59 and name  HZ3) (resid  60 and name HG1#) 4.0 2.2 2.0          
assign (resid  60 and name   HA) (resid  43 and name  HD#) 3.0 1.2 2.7          
assign (resid  60 and name   HA) (resid  60 and name   HB) 3.0 1.2 0.5          
assign (resid  60 and name   HA) (resid  60 and name   HN) 3.0 1.2 0.5          
assign (resid  60 and name   HA) (resid  60 and name HG1#) 3.0 1.2 1.5          
assign (resid  60 and name   HA) (resid  60 and name HG2#) 3.0 1.2 1.5          
assign (resid  60 and name   HA) (resid  63 and name  HB1) 3.0 1.2 0.5          
assign (resid  60 and name   HA) (resid  63 and name  HB2) 3.0 1.2 0.5          
assign (resid  60 and name   HB) (resid  55 and name   HA) 4.0 2.2 1.0          
assign (resid  60 and name   HB) (resid  60 and name   HN) 4.0 2.2 1.0          
assign (resid  60 and name   HB) (resid  60 and name HG1#) 3.0 1.2 1.5          
assign (resid  60 and name   HB) (resid  60 and name HG2#) 3.0 1.2 1.5          
assign (resid  60 and name   HB) (resid  61 and name   HN) 4.0 2.2 1.0          
assign (resid  60 and name   HN) (resid  61 and name   HN) 3.0 1.2 0.5          
assign (resid  60 and name HG1#) (resid  43 and name  HD#) 4.0 2.2 4.2          
assign (resid  60 and name HG1#) (resid  43 and name  HE#) 4.0 2.2 4.2          
assign (resid  60 and name HG1#) (resid  54 and name   HN) 3.0 1.2 1.5          
assign (resid  60 and name HG1#) (resid  57 and name   HN) 4.0 2.2 2.0          
assign (resid  60 and name HG1#) (resid  59 and name  HE1) 4.0 2.2 2.0          
assign (resid  60 and name HG1#) (resid  60 and name   HN) 3.0 1.2 1.5          
assign (resid  60 and name HG1#) (resid  61 and name   HN) 4.0 2.2 2.0          
assign (resid  60 and name HG2#) (resid  43 and name  HD#) 3.0 1.2 3.7          
assign (resid  60 and name HG2#) (resid  43 and name  HE#) 3.0 1.2 3.7          
assign (resid  60 and name HG2#) (resid  55 and name  HB#) 3.0 1.2 2.5          
assign (resid  60 and name HG2#) (resid  60 and name   HN) 4.0 2.2 2.0          
assign (resid  60 and name HG2#) (resid  61 and name   HN) 3.0 1.2 1.5          
assign (resid  60 and name HG2#) (resid  61 and name  HG#) 3.0 1.2 2.5          
assign (resid  60 and name HG2#) (resid  64 and name   HN) 4.0 2.2 2.0          
assign (resid  61 and name   HA) (resid  61 and name   HN) 3.0 1.2 0.5          
assign (resid  61 and name   HA) (resid  61 and name  HB1) 3.0 1.2 0.5          
assign (resid  61 and name   HA) (resid  61 and name  HB2) 3.0 1.2 0.5          
assign (resid  61 and name   HA) (resid  61 and name  HG1) 3.0 1.2 0.5          
assign (resid  61 and name   HA) (resid  61 and name  HG2) 3.0 1.2 0.5          
assign (resid  61 and name   HA) (resid  62 and name   HN) 4.0 2.2 1.0          
assign (resid  61 and name   HA) (resid  64 and name   HN) 3.0 1.2 0.5          
assign (resid  61 and name   HA) (resid  64 and name  HE#) 3.0 1.2 1.5          
assign (resid  61 and name   HN) (resid  62 and name   HN) 3.0 1.2 0.5          
assign (resid  61 and name  HB1) (resid  61 and name   HN) 3.0 1.2 0.5          
assign (resid  61 and name  HB1) (resid  62 and name   HN) 4.0 2.2 1.0          
assign (resid  61 and name  HB2) (resid  61 and name   HN) 3.0 1.2 0.5          
assign (resid  61 and name  HB2) (resid  62 and name   HN) 3.0 1.2 0.5          
assign (resid  61 and name  HG#) (resid  61 and name   HN) 3.0 1.2 1.5          
assign (resid  61 and name  HG#) (resid  61 and name HE2#) 4.0 2.2 2.0          
assign (resid  62 and name   HA) (resid  62 and name   HN) 3.0 1.2 0.5          
assign (resid  62 and name   HA) (resid  62 and name  HB1) 3.0 1.2 0.5          
assign (resid  62 and name   HA) (resid  62 and name  HB2) 3.0 1.2 0.5          
assign (resid  62 and name   HA) (resid  63 and name   HN) 3.0 1.2 0.5          
assign (resid  62 and name   HA) (resid  65 and name   HN) 3.0 1.2 0.5          
assign (resid  62 and name  HB1) (resid  62 and name   HN) 3.0 1.2 0.5          
assign (resid  62 and name  HB1) (resid  62 and name  HB2) 2.4 0.6 0.3          
assign (resid  62 and name  HB2) (resid  62 and name   HN) 3.0 1.2 0.5          
assign (resid  63 and name   HA) (resid  63 and name  HB1) 3.0 1.2 0.5          
assign (resid  63 and name   HA) (resid  63 and name  HB2) 3.0 1.2 0.5          
assign (resid  63 and name   HA) (resid  66 and name   HN) 3.0 1.2 0.5          
assign (resid  63 and name   HA) (resid  66 and name  HB1) 3.0 1.2 0.5          
assign (resid  63 and name   HA) (resid  66 and name  HB2) 3.0 1.2 0.5          
assign (resid  63 and name   HN) (resid  64 and name   HN) 3.0 1.2 0.5          
assign (resid  63 and name  HB#) (resid  43 and name  HD#) 3.0 1.2 3.7          
assign (resid  63 and name  HB1) (resid  63 and name   HN) 3.0 1.2 0.5          
assign (resid  63 and name  HB1) (resid  63 and name  HD#) 3.0 1.2 2.7          
assign (resid  63 and name  HB1) (resid  64 and name   HN) 4.0 2.2 1.0          
assign (resid  63 and name  HB2) (resid  25 and name  HD#) 3.0 1.2 2.8          
assign (resid  63 and name  HB2) (resid  63 and name   HN) 3.0 1.2 0.5          
assign (resid  63 and name  HB2) (resid  63 and name  HD#) 3.0 1.2 2.7          
assign (resid  63 and name  HB2) (resid  64 and name   HN) 4.0 2.2 1.0          
assign (resid  63 and name  HD#) (resid  59 and name  HE3) 4.0 2.2 3.2          
assign (resid  63 and name  HD#) (resid  59 and name  HZ3) 3.0 1.2 2.7          
assign (resid  63 and name  HD#) (resid  63 and name   HA) 3.0 1.2 2.7          
assign (resid  63 and name  HD#) (resid  63 and name   HN) 3.0 1.2 2.7          
assign (resid  63 and name  HD#) (resid  67 and name HD1#) 4.0 2.2 4.2          
assign (resid  63 and name  HD#) (resid  67 and name HD2#) 4.0 2.2 4.2          
assign (resid  63 and name  HE#) (resid  25 and name  HD#) 4.0 2.2 5.5          
assign (resid  63 and name  HE#) (resid  59 and name  HZ3) 4.0 2.2 3.2          
assign (resid  63 and name  HE#) (resid  67 and name HD1#) 4.0 2.2 4.2          
assign (resid  63 and name  HE#) (resid  67 and name HD2#) 4.0 2.2 4.2          
assign (resid  64 and name   HA) (resid  28 and name  HE#) 3.0 1.2 2.7          
assign (resid  64 and name   HA) (resid  64 and name   HN) 3.0 1.2 0.5          
assign (resid  64 and name   HA) (resid  64 and name  HB#) 3.0 1.2 1.5          
assign (resid  64 and name   HA) (resid  64 and name  HG1) 3.0 1.2 0.5          
assign (resid  64 and name   HA) (resid  64 and name  HG2) 3.0 1.2 0.5          
assign (resid  64 and name   HA) (resid  65 and name   HN) 4.0 2.2 1.0          
assign (resid  64 and name   HA) (resid  67 and name  HB#) 3.0 1.2 1.5          
assign (resid  64 and name   HA) (resid  67 and name  HD#) 3.0 1.2 2.8          
assign (resid  64 and name   HN) (resid  65 and name   HN) 3.0 1.2 0.5          
assign (resid  64 and name  HB#) (resid  64 and name   HN) 3.0 1.2 1.5          
assign (resid  64 and name  HB#) (resid  64 and name  HE#) 3.0 1.2 2.5          
assign (resid  64 and name  HB#) (resid  64 and name  HG#) 3.0 1.2 2.5          
assign (resid  64 and name  HB1) (resid  65 and name   HN) 3.0 1.2 0.5          
assign (resid  64 and name  HE#) (resid  28 and name  HD#) 3.0 1.2 3.7          
assign (resid  64 and name  HE#) (resid  28 and name  HE#) 3.0 1.2 3.7          
assign (resid  64 and name  HE#) (resid  30 and name  HD#) 3.0 1.2 2.5          
assign (resid  64 and name  HE#) (resid  41 and name   HA) 3.0 1.2 1.5          
assign (resid  64 and name  HE#) (resid  41 and name   HN) 3.0 1.2 1.5          
assign (resid  64 and name  HE#) (resid  60 and name HG2#) 2.4 0.6 2.3          
assign (resid  64 and name  HE#) (resid  61 and name   HN) 4.0 2.2 2.0          
assign (resid  64 and name  HE#) (resid  61 and name HE2#) 4.0 2.2 2.0          
assign (resid  64 and name  HE#) (resid  64 and name   HA) 4.0 2.2 2.0          
assign (resid  64 and name  HE#) (resid  64 and name   HN) 4.0 2.2 2.0          
assign (resid  64 and name  HG#) (resid  64 and name   HN) 3.0 1.2 1.5          
assign (resid  64 and name  HG1) (resid  64 and name  HE#) 3.0 1.2 1.5          
assign (resid  64 and name  HG2) (resid  64 and name  HE#) 3.0 1.2 1.5          
assign (resid  65 and name   HA) (resid  65 and name   HN) 3.0 1.2 0.5          
assign (resid  65 and name   HA) (resid  65 and name  HB#) 3.0 1.2 1.5          
assign (resid  65 and name   HA) (resid  65 and name  HD#) 4.0 2.2 2.0          
assign (resid  65 and name   HA) (resid  65 and name  HG#) 3.0 1.2 1.5          
assign (resid  65 and name   HA) (resid  66 and name   HN) 4.0 2.2 1.0          
assign (resid  65 and name   HA) (resid  68 and name   HN) 3.0 1.2 0.5          
assign (resid  65 and name   HN) (resid  66 and name   HN) 3.0 1.2 0.5          
assign (resid  65 and name  HB#) (resid  62 and name   HA) 3.0 1.2 1.5          
assign (resid  65 and name  HB#) (resid  65 and name   HN) 3.0 1.2 1.5          
assign (resid  65 and name  HB#) (resid  66 and name   HN) 3.0 1.2 1.5          
assign (resid  65 and name  HD#) (resid  65 and name   HN) 3.0 1.2 1.5          
assign (resid  66 and name   HA) (resid  66 and name   HN) 3.0 1.2 0.5          
assign (resid  66 and name   HA) (resid  66 and name  HB1) 3.0 1.2 0.5          
assign (resid  66 and name   HA) (resid  66 and name  HB2) 3.0 1.2 0.5          
assign (resid  66 and name   HA) (resid  67 and name   HN) 4.0 2.2 1.0          
assign (resid  66 and name   HN) (resid  67 and name   HN) 3.0 1.2 0.5          
assign (resid  66 and name  HB#) (resid  66 and name   HN) 3.0 1.2 1.5          
assign (resid  66 and name  HB#) (resid  67 and name   HN) 3.0 1.2 1.5          
assign (resid  67 and name   HA) (resid  67 and name   HN) 3.0 1.2 0.5          
assign (resid  67 and name   HA) (resid  67 and name  HB#) 3.0 1.2 1.5          
assign (resid  67 and name   HG) (resid  67 and name   HN) 4.0 2.2 1.0          
assign (resid  67 and name   HG) (resid  67 and name HD1#) 3.0 1.2 1.5          
assign (resid  67 and name   HG) (resid  67 and name HD2#) 3.0 1.2 1.5          
assign (resid  67 and name   HN) (resid  68 and name   HN) 3.0 1.2 0.5          
assign (resid  67 and name  HB#) (resid  28 and name  HE#) 4.0 2.2 4.2          
assign (resid  67 and name  HB#) (resid  67 and name HD1#) 3.0 1.2 2.5          
assign (resid  67 and name  HB#) (resid  67 and name HD2#) 3.0 1.2 2.5          
assign (resid  67 and name  HB1) (resid  28 and name  HD#) 3.0 1.2 2.7          
assign (resid  67 and name  HB1) (resid  67 and name   HG) 3.0 1.2 0.5          
assign (resid  67 and name  HB1) (resid  67 and name   HN) 3.0 1.2 0.5          
assign (resid  67 and name  HB1) (resid  68 and name   HN) 4.0 2.2 1.0          
assign (resid  67 and name  HB2) (resid  28 and name  HD#) 3.0 1.2 2.7          
assign (resid  67 and name  HB2) (resid  67 and name   HG) 3.0 1.2 0.5          
assign (resid  67 and name  HB2) (resid  67 and name   HN) 3.0 1.2 0.5          
assign (resid  67 and name  HD#) (resid  28 and name   HN) 4.0 2.2 3.3          
assign (resid  67 and name  HD#) (resid  43 and name  HD#) 3.0 1.2 5.0          
assign (resid  67 and name  HD#) (resid  43 and name  HE#) 3.0 1.2 5.0          
assign (resid  67 and name  HD#) (resid  63 and name  HB2) 3.0 1.2 2.8          
assign (resid  67 and name  HD#) (resid  67 and name   HA) 3.0 1.2 2.8          
assign (resid  67 and name  HD#) (resid  67 and name  HB#) 3.0 1.2 3.8          
assign (resid  67 and name HD1#) (resid  27 and name   HA) 3.0 1.2 1.5          
assign (resid  67 and name HD1#) (resid  28 and name  HD#) 3.0 1.2 3.7          
assign (resid  67 and name HD1#) (resid  67 and name   HN) 3.0 1.2 1.5          
assign (resid  67 and name HD2#) (resid  27 and name   HA) 3.0 1.2 1.5          
assign (resid  67 and name HD2#) (resid  28 and name  HD#) 3.0 1.2 3.7          
assign (resid  67 and name HD2#) (resid  67 and name   HN) 3.0 1.2 1.5          
assign (resid  68 and name   HA) (resid  68 and name   HN) 3.0 1.2 0.5          
assign (resid  68 and name   HA) (resid  69 and name   HN) 3.0 1.2 0.5          
assign (resid  68 and name   HN) (resid  69 and name   HN) 3.0 1.2 0.5          
assign (resid  68 and name  HB1) (resid  68 and name   HA) 3.0 1.2 0.5          
assign (resid  68 and name  HB1) (resid  69 and name   HN) 4.0 2.2 1.0          
assign (resid  68 and name  HB2) (resid  68 and name   HN) 4.0 2.2 1.0          
assign (resid  69 and name   HA) (resid  69 and name   HN) 3.0 1.2 0.5          
assign (resid  69 and name   HA) (resid  69 and name  HB#) 3.0 1.2 1.5          
assign (resid  69 and name   HA) (resid  70 and name   HN) 3.0 1.2 0.5          
assign (resid  69 and name   HA) (resid  70 and name  HB#) 4.0 2.2 2.0          
assign (resid  69 and name   HN) (resid  70 and name   HN) 4.0 2.2 1.0          
assign (resid  69 and name  HB#) (resid  69 and name   HN) 3.0 1.2 1.5          
assign (resid  69 and name  HG#) (resid  69 and name   HN) 4.0 2.2 2.0          
assign (resid  70 and name   HA) (resid  69 and name  HB#) 4.0 2.2 2.0          
assign (resid  70 and name   HA) (resid  70 and name   HN) 3.0 1.2 0.5          
assign (resid  70 and name   HA) (resid  71 and name   HN) 3.0 1.2 0.5          
assign (resid  70 and name  HB#) (resid  70 and name   HA) 3.0 1.2 1.5          
assign (resid  70 and name  HB#) (resid  71 and name   HN) 4.0 2.2 2.0          
assign (resid  70 and name  HB1) (resid  70 and name   HN) 3.0 1.2 0.5          
assign (resid  70 and name  HG#) (resid  70 and name   HN) 3.0 1.2 1.5          
assign (resid  71 and name   HA) (resid  71 and name   HN) 3.0 1.2 0.5          
assign (resid  71 and name   HA) (resid  71 and name HG2#) 3.0 1.2 1.5          
assign (resid  71 and name   HA) (resid  72 and name   HN) 3.0 1.2 0.5          
assign (resid  71 and name   HB) (resid  71 and name   HN) 3.0 1.2 0.5          
assign (resid  71 and name   HB) (resid  71 and name HG2#) 2.4 0.6 1.3          
assign (resid  71 and name   HN) (resid  72 and name   HN) 3.0 1.2 0.5          
assign (resid  71 and name HG2#) (resid  71 and name   HN) 3.0 1.2 1.5          
assign (resid  72 and name   HA) (resid  72 and name   HN) 3.0 1.2 0.5          
assign (resid  72 and name   HA) (resid  72 and name  HB1) 3.0 1.2 0.5          
assign (resid  72 and name   HA) (resid  72 and name  HB2) 3.0 1.2 0.5          
assign (resid  72 and name   HA) (resid  73 and name   HN) 3.0 1.2 0.5          
assign (resid  72 and name  HB1) (resid  72 and name   HN) 3.0 1.2 0.5          
assign (resid  72 and name  HB1) (resid  72 and name  HG#) 2.4 0.6 1.3          
assign (resid  72 and name  HB2) (resid  72 and name   HN) 3.0 1.2 0.5          
assign (resid  72 and name  HB2) (resid  72 and name  HG#) 2.4 0.6 1.3          
assign (resid  73 and name   HA) (resid  73 and name   HN) 3.0 1.2 0.5          
assign (resid  73 and name   HB) (resid  73 and name   HN) 3.0 1.2 0.5          
assign (resid  73 and name   HB) (resid  73 and name HG2#) 2.4 0.6 1.3          
assign (resid  74 and name   HA) (resid  74 and name  HB1) 3.0 1.2 0.5          
assign (resid  74 and name   HA) (resid  75 and name   HN) 2.4 0.6 0.3          
assign (resid  74 and name  HB1) (resid  74 and name  HG#) 2.4 0.6 1.3          
assign (resid  74 and name  HB2) (resid  74 and name   HA) 3.0 1.2 0.5          
assign (resid  74 and name  HD1) (resid  73 and name   HA) 3.0 1.2 0.5          
assign (resid  74 and name  HD2) (resid  73 and name   HA) 3.0 1.2 0.5          
assign (resid  74 and name  HG#) (resid  74 and name  HD#) 3.0 1.2 2.5          
assign (resid  75 and name   HA) (resid  75 and name   HN) 3.0 1.2 0.5          
assign (resid  75 and name   HA) (resid  75 and name  HB#) 3.0 1.2 1.5          
assign (resid  75 and name   HA) (resid  76 and name   HN) 3.0 1.2 0.5          
!hbonds                                                                         
! sheet h-bonds                                                                 
assign (resid 45 and name  hn) (resid 49 and name  o) 2.0 0.3 0.3               
assign (resid 44 and name  hn) (resid 27 and name  o) 2.0 0.3 0.3               
assign (resid 27 and name  hn) (resid 44 and name  o) 2.0 0.3 0.3               
assign (resid 29 and name  hn) (resid 42 and name  o) 2.0 0.3 0.3               
assign (resid 42 and name  hn) (resid 29 and name  o) 2.0 0.3 0.3               
assign (resid 31 and name  hn) (resid 40 and name  o) 2.0 0.3 0.3               
assign (resid 51 and name  hn) (resid 43 and name  o) 2.0 0.3 0.3               
assign (resid 43 and name  hn) (resid 51 and name  o) 2.0 0.3 0.3               
assign (resid 53 and name  hn) (resid 41 and name  o) 2.0 0.3 0.5               
!                                                                               
assign (resid 45 and name  n) (resid 49 and name  o) 3.0 0.5 0.3                
assign (resid 27 and name  n) (resid 44 and name  o) 3.0 0.5 0.3                
assign (resid 44 and name  n) (resid 27 and name  o) 3.0 0.5 0.3                
assign (resid 29 and name  n) (resid 42 and name  o) 3.0 0.5 0.3                
assign (resid 42 and name  n) (resid 29 and name  o) 3.0 0.5 0.3                
assign (resid 31 and name  n) (resid 40 and name  o) 3.0 0.5 0.3                
assign (resid 51 and name  n) (resid 43 and name  o) 3.0 0.5 0.3                
assign (resid 43 and name  n) (resid 51 and name  o) 3.0 0.5 0.3                
assign (resid 53 and name  n) (resid 41 and name  o) 3.0 0.5 0.3                
! helix H-bonds                                                                 
assign (resid 62 and name  hn) (resid 58 and name  o) 2.0 0.3 0.3               
assign (resid 63 and name  hn) (resid 59 and name  o) 2.0 0.3 0.3               
assign (resid 64 and name  hn) (resid 60 and name  o) 2.0 0.3 0.3               
assign (resid 65 and name  hn) (resid 61 and name  o) 2.0 0.3 0.3               
assign (resid 66 and name  hn) (resid 62 and name  o) 2.0 0.3 0.3               
assign (resid 67 and name  hn) (resid 63 and name  o) 2.0 0.3 0.3               
assign (resid 68 and name  hn) (resid 64 and name  o) 2.0 0.3 0.3               
!                                                                               
assign (resid 62 and name  n) (resid 58 and name  o) 3.0 0.5 0.3                
assign (resid 63 and name  n) (resid 59 and name  o) 3.0 0.5 0.3                
assign (resid 64 and name  n) (resid 60 and name  o) 3.0 0.5 0.3                
assign (resid 65 and name  n) (resid 61 and name  o) 3.0 0.5 0.3                
assign (resid 66 and name  n) (resid 62 and name  o) 3.0 0.5 0.3                
assign (resid 67 and name  n) (resid 63 and name  o) 3.0 0.5 0.3                
assign (resid 68 and name  n) (resid 64 and name  o) 3.0 0.5 0.3                
!!                                                                              
!! Phi restraints                                                               
  !! 3                                                                          
 assign (resid   2 and name c )   (resid   3 and name n )                       
        (resid   3 and name ca)   (resid   3 and name c )   1.0 -120.0 60.0 2   
  !! 4                                                                          
 assign (resid   3 and name c )   (resid   4 and name n )                       
        (resid   4 and name ca)   (resid   4 and name c )   1.0 -120.0 60.0 2   
  !! 5                                                                          
 assign (resid   4 and name c )   (resid   5 and name n )                       
        (resid   5 and name ca)   (resid   5 and name c )   1.0 -120.0 50.0 2   
  !! 6                                                                          
 assign (resid   5 and name c )   (resid   6 and name n )                       
        (resid   6 and name ca)   (resid   6 and name c )   1.0 -120.0 60.0 2   
  !! 7                                                                          
 assign (resid   6 and name c )   (resid   7 and name n )                       
        (resid   7 and name ca)   (resid   7 and name c )   1.0 -120.0 50.0 2   
  !! 8                                                                          
 assign (resid   7 and name c )   (resid   8 and name n )                       
        (resid   8 and name ca)   (resid   8 and name c )   1.0 -120.0 60.0 2   
  !! 9                                                                          
 assign (resid   8 and name c )   (resid   9 and name n )                       
        (resid   9 and name ca)   (resid   9 and name c )   1.0 -120.0 60.0 2   
  !! 10                                                                         
 assign (resid   9 and name c )   (resid  10 and name n )                       
        (resid  10 and name ca)   (resid  10 and name c )   1.0 -120.0 60.0 2   
  !! 11                                                                         
 assign (resid  10 and name c )   (resid  11 and name n )                       
        (resid  11 and name ca)   (resid  11 and name c )   1.0 -120.0 30.0 2   
  !! 12                                                                         
 assign (resid  11 and name c )   (resid  12 and name n )                       
        (resid  12 and name ca)   (resid  12 and name c )   1.0 -120.0 60.0 2   
  !! 13                                                                         
 assign (resid  12 and name c )   (resid  13 and name n )                       
        (resid  13 and name ca)   (resid  13 and name c )   1.0 -120.0 60.0 2   
  !! 14                                                                         
 assign (resid  13 and name c )   (resid  14 and name n )                       
        (resid  14 and name ca)   (resid  14 and name c )   1.0 -120.0 50.0 2   
  !! 15                                                                         
 assign (resid  14 and name c )   (resid  15 and name n )                       
        (resid  15 and name ca)   (resid  15 and name c )   1.0 -120.0 30.0 2   
  !! 16                                                                         
 assign (resid  15 and name c )   (resid  16 and name n )                       
        (resid  16 and name ca)   (resid  16 and name c )   1.0 -120.0 60.0 2   
  !! 17                                                                         
 assign (resid  16 and name c )   (resid  17 and name n )                       
        (resid  17 and name ca)   (resid  17 and name c )   1.0 -120.0 50.0 2   
  !! 18                                                                         
 assign (resid  17 and name c )   (resid  18 and name n )                       
        (resid  18 and name ca)   (resid  18 and name c )   1.0 -120.0 40.0 2   
  !! 19                                                                         
 assign (resid  18 and name c )   (resid  19 and name n )                       
        (resid  19 and name ca)   (resid  19 and name c )   1.0 -55.0 30.0 2    
  !! 20                                                                         
 assign (resid  19 and name c )   (resid  20 and name n )                       
        (resid  20 and name ca)   (resid  20 and name c )   1.0 -120.0 60.0 2   
  !! 22                                                                         
 assign (resid  21 and name c )   (resid  22 and name n )                       
        (resid  22 and name ca)   (resid  22 and name c )   1.0 -55.0 30.0 2    
  !! 23                                                                         
 assign (resid  22 and name c )   (resid  23 and name n )                       
        (resid  23 and name ca)   (resid  23 and name c )   1.0 -55.0 30.0 2    
  !! 24                                                                         
 assign (resid  23 and name c )   (resid  24 and name n )                       
        (resid  24 and name ca)   (resid  24 and name c )   1.0 -120.0 30.0 2   
  !! 25                                                                         
 assign (resid  24 and name c )   (resid  25 and name n )                       
        (resid  25 and name ca)   (resid  25 and name c )   1.0 -120.0 60.0 2   
  !! 26                                                                         
 assign (resid  25 and name c )   (resid  26 and name n )                       
        (resid  26 and name ca)   (resid  26 and name c )   1.0 -120.0 30.0 2   
  !! 27                                                                         
 assign (resid  26 and name c )   (resid  27 and name n )                       
        (resid  27 and name ca)   (resid  27 and name c )   1.0 -120.0 60.0 2   
  !! 28                                                                         
 assign (resid  27 and name c )   (resid  28 and name n )                       
        (resid  28 and name ca)   (resid  28 and name c )   1.0 -120.0 60.0 2   
  !! 29                                                                         
 assign (resid  28 and name c )   (resid  29 and name n )                       
        (resid  29 and name ca)   (resid  29 and name c )   1.0 -120.0 50.0 2   
  !! 30                                                                         
 assign (resid  29 and name c )   (resid  30 and name n )                       
        (resid  30 and name ca)   (resid  30 and name c )   1.0 -120.0 30.0 2   
  !! 31                                                                         
 assign (resid  30 and name c )   (resid  31 and name n )                       
        (resid  31 and name ca)   (resid  31 and name c )   1.0 -120.0 60.0 2   
  !! 32                                                                         
 assign (resid  31 and name c )   (resid  32 and name n )                       
        (resid  32 and name ca)   (resid  32 and name c )   1.0 -120.0 50.0 2   
  !! 33                                                                         
 assign (resid  32 and name c )   (resid  33 and name n )                       
        (resid  33 and name ca)   (resid  33 and name c )   1.0 -55.0 30.0 2    
  !! 34                                                                         
 assign (resid  33 and name c )   (resid  34 and name n )                       
        (resid  34 and name ca)   (resid  34 and name c )   1.0 -120.0 60.0 2   
  !! 35                                                                         
 assign (resid  34 and name c )   (resid  35 and name n )                       
        (resid  35 and name ca)   (resid  35 and name c )   1.0 -120.0 30.0 2   
  !! 36                                                                         
 assign (resid  35 and name c )   (resid  36 and name n )                       
        (resid  36 and name ca)   (resid  36 and name c )   1.0 -120.0 60.0 2   
  !! 38                                                                         
 assign (resid  37 and name c )   (resid  38 and name n )                       
        (resid  38 and name ca)   (resid  38 and name c )   1.0 -120.0 50.0 2   
  !! 39                                                                         
 assign (resid  38 and name c )   (resid  39 and name n )                       
        (resid  39 and name ca)   (resid  39 and name c )   1.0 -55.0 30.0 2    
  !! 40                                                                         
 assign (resid  39 and name c )   (resid  40 and name n )                       
        (resid  40 and name ca)   (resid  40 and name c )   1.0 -120.0 50.0 2   
  !! 41                                                                         
 assign (resid  40 and name c )   (resid  41 and name n )                       
        (resid  41 and name ca)   (resid  41 and name c )   1.0 -120.0 30.0 2   
  !! 42                                                                         
 assign (resid  41 and name c )   (resid  42 and name n )                       
        (resid  42 and name ca)   (resid  42 and name c )   1.0 -120.0 30.0 2   
  !! 43                                                                         
 assign (resid  42 and name c )   (resid  43 and name n )                       
        (resid  43 and name ca)   (resid  43 and name c )   1.0 -120.0 30.0 2   
  !! 44                                                                         
 assign (resid  43 and name c )   (resid  44 and name n )                       
        (resid  44 and name ca)   (resid  44 and name c )   1.0 -120.0 30.0 2   
  !! 45                                                                         
 assign (resid  44 and name c )   (resid  45 and name n )                       
        (resid  45 and name ca)   (resid  45 and name c )   1.0 -120.0 30.0 2   
  !! 46                                                                         
 assign (resid  45 and name c )   (resid  46 and name n )                       
        (resid  46 and name ca)   (resid  46 and name c )   1.0 -55.0 30.0 2    
  !! 47                                                                         
 assign (resid  46 and name c )   (resid  47 and name n )                       
        (resid  47 and name ca)   (resid  47 and name c )   1.0 -120.0 30.0 2   
  !! 48                                                                         
 assign (resid  47 and name c )   (resid  48 and name n )                       
        (resid  48 and name ca)   (resid  48 and name c )   1.0  60.0 30.0 2    
  !! 49                                                                         
 assign (resid  48 and name c )   (resid  49 and name n )                       
        (resid  49 and name ca)   (resid  49 and name c )   1.0 -120.0 30.0 2   
  !! 50                                                                         
 assign (resid  49 and name c )   (resid  50 and name n )                       
        (resid  50 and name ca)   (resid  50 and name c )   1.0 -120.0 50.0 2   
  !! 51                                                                         
 assign (resid  50 and name c )   (resid  51 and name n )                       
        (resid  51 and name ca)   (resid  51 and name c )   1.0 -120.0 30.0 2   
  !! 53                                                                         
 assign (resid  52 and name c )   (resid  53 and name n )                       
        (resid  53 and name ca)   (resid  53 and name c )   1.0 -120.0 30.0 2   
  !! 54                                                                         
 assign (resid  53 and name c )   (resid  54 and name n )                       
        (resid  54 and name ca)   (resid  54 and name c )   1.0 -55.0 30.0 2    
  !! 56                                                                         
 assign (resid  55 and name c )   (resid  56 and name n )                       
        (resid  56 and name ca)   (resid  56 and name c )   1.0 -120.0 60.0 2   
  !! 57                                                                         
 assign (resid  56 and name c )   (resid  57 and name n )                       
        (resid  57 and name ca)   (resid  57 and name c )   1.0 -120.0 60.0 2   
  !! 58                                                                         
 assign (resid  57 and name c )   (resid  58 and name n )                       
        (resid  58 and name ca)   (resid  58 and name c )   1.0 -55.0 30.0 2    
  !! 59                                                                         
 assign (resid  58 and name c )   (resid  59 and name n )                       
        (resid  59 and name ca)   (resid  59 and name c )   1.0 -55.0 30.0 2    
  !! 61                                                                         
 assign (resid  60 and name c )   (resid  61 and name n )                       
        (resid  61 and name ca)   (resid  61 and name c )   1.0 -55.0 30.0 2    
  !! 62                                                                         
 assign (resid  61 and name c )   (resid  62 and name n )                       
        (resid  62 and name ca)   (resid  62 and name c )   1.0 -55.0 30.0 2    
  !! 63                                                                         
 assign (resid  62 and name c )   (resid  63 and name n )                       
        (resid  63 and name ca)   (resid  63 and name c )   1.0 -55.0 30.0 2    
  !! 64                                                                         
 assign (resid  63 and name c )   (resid  64 and name n )                       
        (resid  64 and name ca)   (resid  64 and name c )   1.0 -55.0 30.0 2    
  !! 65                                                                         
 assign (resid  64 and name c )   (resid  65 and name n )                       
        (resid  65 and name ca)   (resid  65 and name c )   1.0 -55.0 30.0 2    
  !! 66                                                                         
 assign (resid  65 and name c )   (resid  66 and name n )                       
        (resid  66 and name ca)   (resid  66 and name c )   1.0 -55.0 30.0 2    
  !! 67                                                                         
 assign (resid  66 and name c )   (resid  67 and name n )                       
        (resid  67 and name ca)   (resid  67 and name c )   1.0 -55.0 30.0 2    
  !! 68                                                                         
 assign (resid  67 and name c )   (resid  68 and name n )                       
        (resid  68 and name ca)   (resid  68 and name c )   1.0 -55.0 30.0 2    
  !! 71                                                                         
 assign (resid  70 and name c )   (resid  71 and name n )                       
        (resid  71 and name ca)   (resid  71 and name c )   1.0 -120.0 60.0 2   
  !! 72                                                                         
 assign (resid  71 and name c )   (resid  72 and name n )                       
        (resid  72 and name ca)   (resid  72 and name c )   1.0 -120.0 60.0 2   
  !! 73                                                                         
 assign (resid  72 and name c )   (resid  73 and name n )                       
        (resid  73 and name ca)   (resid  73 and name c )   1.0 -120.0 60.0 2   
  !! 75                                                                         
 assign (resid  74 and name c )   (resid  75 and name n )                       
        (resid  75 and name ca)   (resid  75 and name c )   1.0 -120.0 60.0 2   
  !! 76                                                                         
 assign (resid  75 and name c )   (resid  76 and name n )                       
        (resid  76 and name ca)   (resid  76 and name c )   1.0 -120.0 40.0 2   
!!                                                                              
!! psi angle from C-13 chemical shifts                                          
  !!    14                                                                      
assign (resid   14 and name n )   (resid   14 and name ca )                     
       (resid   14 and name c )   (resid   15 and name n )  1.0 140.0 30.0 2    
  !!    15                                                                      
assign (resid   15 and name n )   (resid   15 and name ca )                     
       (resid   15 and name c )   (resid   16 and name n )  1.0 140.0 30.0 2    
  !!    16                                                                      
assign (resid   16 and name n )   (resid   16 and name ca )                     
       (resid   16 and name c )   (resid   17 and name n )  1.0 140.0 30.0 2    
  !!    22                                                                      
assign (resid   22 and name n )   (resid   22 and name ca )                     
       (resid   22 and name c )   (resid   23 and name n )  1.0 -40.0 30.0 2    
  !!    23                                                                      
assign (resid   23 and name n )   (resid   23 and name ca )                     
       (resid   23 and name c )   (resid   24 and name n )  1.0 -40.0 30.0 2    
  !!    28                                                                      
assign (resid   28 and name n )   (resid   28 and name ca )                     
       (resid   28 and name c )   (resid   29 and name n )  1.0 140.0 30.0 2    
  !!    29                                                                      
assign (resid   29 and name n )   (resid   29 and name ca )                     
       (resid   29 and name c )   (resid   30 and name n )  1.0 140.0 30.0 2    
  !!    30                                                                      
assign (resid   30 and name n )   (resid   30 and name ca )                     
       (resid   30 and name c )   (resid   31 and name n )  1.0 140.0 30.0 2    
  !!    31                                                                      
assign (resid   31 and name n )   (resid   31 and name ca )                     
       (resid   31 and name c )   (resid   32 and name n )  1.0 140.0 30.0 2    
  !!    32                                                                      
assign (resid   32 and name n )   (resid   32 and name ca )                     
       (resid   32 and name c )   (resid   33 and name n )  1.0 140.0 30.0 2    
  !!    40                                                                      
assign (resid   40 and name n )   (resid   40 and name ca )                     
       (resid   40 and name c )   (resid   41 and name n )  1.0 140.0 30.0 2    
  !!    41                                                                      
assign (resid   41 and name n )   (resid   41 and name ca )                     
       (resid   41 and name c )   (resid   42 and name n )  1.0 140.0 30.0 2    
  !!    42                                                                      
assign (resid   42 and name n )   (resid   42 and name ca )                     
       (resid   42 and name c )   (resid   43 and name n )  1.0 140.0 30.0 2    
  !!    43                                                                      
assign (resid   43 and name n )   (resid   43 and name ca )                     
       (resid   43 and name c )   (resid   44 and name n )  1.0 140.0 30.0 2    
  !!    44                                                                      
assign (resid   44 and name n )   (resid   44 and name ca )                     
       (resid   44 and name c )   (resid   45 and name n )  1.0 140.0 30.0 2    
  !!    45                                                                      
 assign (resid   45 and name n )   (resid   45 and name ca )                    
        (resid   45 and name c )   (resid   46 and name n )  1.0 140.0 30.0 2   
  !!    46                                                                      
 assign (resid   46 and name n )   (resid   46 and name ca )                    
        (resid   46 and name c )   (resid   47 and name n )  1.0 -40.0 30.0 2   
  !!    49                                                                      
assign (resid   49 and name n )   (resid   49 and name ca )                     
       (resid   49 and name c )   (resid   50 and name n )  1.0 140.0 30.0 2    
  !!    50                                                                      
assign (resid   50 and name n )   (resid   50 and name ca )                     
       (resid   50 and name c )   (resid   51 and name n )  1.0 140.0 30.0 2    
  !!    51                                                                      
assign (resid   51 and name n )   (resid   51 and name ca )                     
       (resid   51 and name c )   (resid   52 and name n )  1.0 140.0 30.0 2    
  !!    52                                                                      
assign (resid   52 and name n )   (resid   52 and name ca )                     
       (resid   52 and name c )   (resid   53 and name n )  1.0 140.0 30.0 2    
  !!    53                                                                      
assign (resid   53 and name n )   (resid   53 and name ca )                     
       (resid   53 and name c )   (resid   54 and name n )  1.0 140.0 30.0 2    
  !!    58                                                                      
assign (resid   58 and name n )   (resid   58 and name ca )                     
       (resid   58 and name c )   (resid   59 and name n )  1.0 -40.0 30.0 2    
  !!    59                                                                      
assign (resid   59 and name n )   (resid   59 and name ca )                     
       (resid   59 and name c )   (resid   60 and name n )  1.0 -40.0 30.0 2    
  !!    60                                                                      
assign (resid   60 and name n )   (resid   60 and name ca )                     
       (resid   60 and name c )   (resid   61 and name n )  1.0 -40.0 30.0 2    
  !!    61                                                                      
assign (resid   61 and name n )   (resid   61 and name ca )                     
       (resid   61 and name c )   (resid   62 and name n )  1.0 -40.0 30.0 2    
  !!    62                                                                      
assign (resid   62 and name n )   (resid   62 and name ca )                     
       (resid   62 and name c )   (resid   63 and name n )  1.0 -40.0 30.0 2    
  !!    63                                                                      
assign (resid   63 and name n )   (resid   63 and name ca )                     
       (resid   63 and name c )   (resid   64 and name n )  1.0 -40.0 30.0 2    
  !!    64                                                                      
assign (resid   64 and name n )   (resid   64 and name ca )                     
       (resid   64 and name c )   (resid   65 and name n )  1.0 -40.0 30.0 2    
  !!    65                                                                      
assign (resid   65 and name n )   (resid   65 and name ca )                     
       (resid   65 and name c )   (resid   66 and name n )  1.0 -40.0 30.0 2    
  !!    66                                                                      
assign (resid   66 and name n )   (resid   66 and name ca )                     
       (resid   66 and name c )   (resid   67 and name n )  1.0 -40.0 30.0 2    
  !!    67                                                                      
assign (resid   67 and name n )   (resid   67 and name ca )                     
       (resid   67 and name c )   (resid   68 and name n )  1.0 -40.0 30.0 2    
  !!    68                                                                      
assign (resid   68 and name n )   (resid   68 and name ca )                     
       (resid   68 and name c )   (resid   69 and name n )  1.0 -40.0 30.0 2    
!!                                                                              
!!chi angles                                                                    
!! cys                                                                          
assign (resid   11 and name n )   (resid  11 and name ca )                      
       (resid   11 and name cb)   (resid  11 and name sg )  1.0 -60.0 30.0 2    
assign (resid   12 and name n )   (resid  12 and name ca )                      
       (resid   12 and name cb)   (resid  12 and name sg )  1.0 -60.0 30.0 2    
assign (resid   36 and name n )   (resid  36 and name ca )                      
       (resid   36 and name cb)   (resid  36 and name sg )  1.0 -60.0 30.0 2    
assign (resid   52 and name n )   (resid  52 and name ca )                      
       (resid   52 and name cb)   (resid  52 and name sg )  1.0 -60.0 30.0 2    
!!Phe                                                                           
assign (resid   15 and name n )   (resid  15 and name ca )                      
       (resid   15 and name cb)   (resid  15 and name cg )  1.0  -60.0 30.0 2   
assign (resid   43 and name n )   (resid  43 and name ca )                      
       (resid   43 and name cb)   (resid  43 and name cg )  1.0  -60.0 30.0 2   
assign (resid   63 and name n )   (resid  63 and name ca )                      
       (resid   63 and name cb)   (resid  63 and name cg )  1.0  -60.0 30.0 2   
!!HIS                                                                           
assign (resid   66 and name n )   (resid  66 and name ca )                      
       (resid   66 and name cb)   (resid  66 and name cg )  1.0  -60.0 30.0 2   
!!Tyr                                                                           
assign (resid   28 and name n )   (resid  28 and name ca )                      
       (resid   28 and name cb)   (resid  28 and name cg )  1.0   60.0 30.0 2   
!!Trp                                                                           
assign (resid   59 and name n )   (resid  59 and name ca )                      
       (resid   59 and name cb)   (resid  59 and name cg )  1.0   60.0 30.0 2   
!!Leu                                                                           
assign (resid   25 and name n )   (resid  25 and name ca )                      
       (resid   25 and name cb)   (resid  25 and name cg )  1.0   -60.0 30.0 2  
assign (resid   47 and name n )   (resid  47 and name ca )                      
       (resid   47 and name cb)   (resid  47 and name cg )  1.0  -60.0 30.0 2   
assign (resid   67 and name n )   (resid  67 and name ca )                      
       (resid   67 and name cb)   (resid  67 and name cg )  1.0  -60.0 30.0 2   
!!Ile                                                                           
assign (resid    5 and name n )   (resid   5 and name ca )                      
       (resid    5 and name cb)   (resid   5 and name cg1 )  1.0  -60.0 30.0 2  
assign (resid   16 and name n )   (resid  16 and name ca )                      
       (resid   16 and name cb)   (resid  16 and name cg1 )  1.0  -60.0 30.0 2  
assign (resid   20 and name n )   (resid  20 and name ca )                      
       (resid   20 and name cb)   (resid  20 and name cg1 )  1.0  -60.0 30.0 2  
assign (resid   42 and name n )   (resid  42 and name ca )                      
       (resid   42 and name cb)   (resid  42 and name cg1 )  1.0  -60.0 30.0 2  
assign (resid   51 and name n )   (resid  51 and name ca )                      
       (resid   51 and name cb)   (resid  51 and name cg1 )  1.0  -60.0 30.0 2  
!!Asp                                                                           
assign (resid   48 and name n )   (resid  48 and name ca )                      
       (resid   48 and name cb)   (resid  48 and name cg )  1.0  -60.0 30.0 2   
assign (resid   62 and name n )   (resid  62 and name ca )                      
       (resid   62 and name cb)   (resid  62 and name cg )  1.0  -60.0 30.0 2   
assign (resid   68 and name n )   (resid  68 and name ca )                      
       (resid   68 and name cb)   (resid  68 and name cg )  1.0  -60.0 30.0 2   
!!Met                                                                           
assign (resid   64 and name n )   (resid  64 and name ca )                      
       (resid   64 and name cb)   (resid  64 and name cg )  1.0  180.0 30.0 2   
!!Glu                                                                           
assign (resid   26 and name n )   (resid  26 and name ca )                      
       (resid   26 and name cb)   (resid  26 and name cg )  1.0   180.0 30.0 2  
assign (resid   50 and name n )   (resid  50 and name ca )                      
       (resid   50 and name cb)   (resid  50 and name cg )  1.0   -60.0 30.0 2  
!!Gln                                                                           
assign (resid   57 and name n )   (resid  57 and name ca )                      
       (resid   57 and name cb)   (resid  57 and name cg )  1.0   -60.0 30.0 2  
assign (resid   72 and name n )   (resid  72 and name ca )                      
       (resid   72 and name cb)   (resid  72 and name cg )  1.0  -60.0 30.0 2   
!!Arg                                                                           
assign (resid   24 and name n )   (resid  24 and name ca )                      
       (resid   24 and name cb)   (resid  24 and name cg )  1.0   -60.0 30.0 2  
assign (resid   30 and name n )   (resid  30 and name ca )                      
       (resid   30 and name cb)   (resid  30 and name cg )  1.0   -60.0 30.0 2  
assign (resid   38 and name n )   (resid  38 and name ca )                      
       (resid   38 and name cb)   (resid  38 and name cg )  1.0  -60.0 30.0 2   
!!!Lys                                                                          
assign (resid   18 and name n )   (resid  18 and name ca )                      
       (resid   18 and name cb)   (resid  18 and name cg )  1.0  180.0 30.0 2   
assign (resid   22 and name n )   (resid  22 and name ca )                      
       (resid   22 and name cb)   (resid  22 and name cg )  1.0   60.0 30.0 2   
assign (resid   44 and name n )   (resid  44 and name ca )                      
       (resid   44 and name cb)   (resid  44 and name cg )  1.0  -60.0 30.0 2   
assign (resid   65 and name n )   (resid  65 and name ca )                      
       (resid   65 and name cb)   (resid  65 and name cg )  1.0  -60.0 30.0 2   
!!!Val                                                                          
assign (resid    3 and name n )   (resid   3 and name ca )                      
       (resid    3 and name cb)   (resid   3 and name cg1 )  1.0  -60.0 30.0 2  
assign (resid   41 and name n )   (resid  41 and name ca )                      
       (resid   41 and name cb)   (resid  41 and name cg1 )  1.0  -60.0 30.0 2  
assign (resid   60 and name n )   (resid  60 and name ca )                      
       (resid   60 and name cb)   (resid  60 and name cg1 )  1.0  -60.0 30.0 2  
!!                                                                              
!! J-coupling constants                                                         
  !! 3                                                                          
 assign (resid   2 and name c )   (resid   3 and name n )                       
        (resid   3 and name ca)   (resid   3 and name c )   7.6 0.5             
  !! 5                                                                          
 assign (resid   4 and name c )   (resid   5 and name n )                       
        (resid   5 and name ca)   (resid   5 and name c )   8.2 0.5             
  !! 6                                                                          
 assign (resid   5 and name c )   (resid   6 and name n )                       
        (resid   6 and name ca)   (resid   6 and name c )   7.9 0.5             
  !! 7                                                                          
 assign (resid   6 and name c )   (resid   7 and name n )                       
        (resid   7 and name ca)   (resid   7 and name c )   8.1 0.5             
  !! 8                                                                          
 assign (resid   7 and name c )   (resid   8 and name n )                       
        (resid   8 and name ca)   (resid   8 and name c )   6.6 0.5             
  !! 9                                                                          
 assign (resid   8 and name c )   (resid   9 and name n )                       
        (resid   9 and name ca)   (resid   9 and name c )   7.3 0.5             
  !! 10                                                                         
 assign (resid   9 and name c )   (resid  10 and name n )                       
        (resid  10 and name ca)   (resid  10 and name c )   6.9 0.5             
  !! 11                                                                         
 assign (resid  10 and name c )   (resid  11 and name n )                       
        (resid  11 and name ca)   (resid  11 and name c )   9.4 0.5             
  !! 12                                                                         
 assign (resid  11 and name c )   (resid  12 and name n )                       
        (resid  12 and name ca)   (resid  12 and name c )   6.8 0.5             
  !! 14                                                                         
 assign (resid  13 and name c )   (resid  14 and name n )                       
        (resid  14 and name ca)   (resid  14 and name c )   8.4 0.5             
  !! 15                                                                         
 assign (resid  14 and name c )   (resid  15 and name n )                       
        (resid  15 and name ca)   (resid  15 and name c )   9.5 0.5             
  !! 16                                                                         
 assign (resid  15 and name c )   (resid  16 and name n )                       
        (resid  16 and name ca)   (resid  16 and name c )   7.9 0.5             
  !! 17                                                                         
 assign (resid  16 and name c )   (resid  17 and name n )                       
        (resid  17 and name ca)   (resid  17 and name c )   8.6 0.5             
  !! 18                                                                         
 assign (resid  17 and name c )   (resid  18 and name n )                       
        (resid  18 and name ca)   (resid  18 and name c )   9.1 0.5             
  !! 19                                                                         
 assign (resid  18 and name c )   (resid  19 and name n )                       
        (resid  19 and name ca)   (resid  19 and name c )   4.3 0.5             
  !! 22                                                                         
 assign (resid  21 and name c )   (resid  22 and name n )                       
        (resid  22 and name ca)   (resid  22 and name c )   2.4 0.5             
  !! 23                                                                         
 assign (resid  22 and name c )   (resid  23 and name n )                       
        (resid  23 and name ca)   (resid  23 and name c )   4.4 0.5             
  !! 24                                                                         
 assign (resid  23 and name c )   (resid  24 and name n )                       
        (resid  24 and name ca)   (resid  24 and name c )   9.1 0.5             
  !! 25                                                                         
 assign (resid  24 and name c )   (resid  25 and name n )                       
        (resid  25 and name ca)   (resid  25 and name c )   7.4 0.5             
  !! 26                                                                         
 assign (resid  25 and name c )   (resid  26 and name n )                       
        (resid  26 and name ca)   (resid  26 and name c )   12.2 0.5            
  !! 27                                                                         
 assign (resid  26 and name c )   (resid  27 and name n )                       
        (resid  27 and name ca)   (resid  27 and name c )   6.1 0.5             
  !! 28                                                                         
 assign (resid  27 and name c )   (resid  28 and name n )                       
        (resid  28 and name ca)   (resid  28 and name c )   6.6 0.5             
  !! 29                                                                         
 assign (resid  28 and name c )   (resid  29 and name n )                       
        (resid  29 and name ca)   (resid  29 and name c )   8.9 0.5             
  !! 30                                                                         
 assign (resid  29 and name c )   (resid  30 and name n )                       
        (resid  30 and name ca)   (resid  30 and name c )   9.1 0.5             
  !! 31                                                                         
 assign (resid  30 and name c )   (resid  31 and name n )                       
        (resid  31 and name ca)   (resid  31 and name c )   7.5 0.5             
  !! 32                                                                         
 assign (resid  31 and name c )   (resid  32 and name n )                       
        (resid  32 and name ca)   (resid  32 and name c )   8.8 0.5             
  !! 33                                                                         
 assign (resid  32 and name c )   (resid  33 and name n )                       
        (resid  33 and name ca)   (resid  33 and name c )   4.9 0.5             
  !! 34                                                                         
 assign (resid  33 and name c )   (resid  34 and name n )                       
        (resid  34 and name ca)   (resid  34 and name c )   6.2 0.5             
  !! 35                                                                         
 assign (resid  34 and name c )   (resid  35 and name n )                       
        (resid  35 and name ca)   (resid  35 and name c )   9.0 0.5             
  !! 36                                                                         
 assign (resid  35 and name c )   (resid  36 and name n )                       
        (resid  36 and name ca)   (resid  36 and name c )   8.0 0.5             
  !! 38                                                                         
 assign (resid  37 and name c )   (resid  38 and name n )                       
        (resid  38 and name ca)   (resid  38 and name c )   8.7 0.5             
  !! 39                                                                         
 assign (resid  38 and name c )   (resid  39 and name n )                       
        (resid  39 and name ca)   (resid  39 and name c )   5.1 0.5             
  !! 40                                                                         
 assign (resid  39 and name c )   (resid  40 and name n )                       
        (resid  40 and name ca)   (resid  40 and name c )   8.9 0.5             
  !! 41                                                                         
 assign (resid  40 and name c )   (resid  41 and name n )                       
        (resid  41 and name ca)   (resid  41 and name c )   10.2 0.5            
  !! 42                                                                         
 assign (resid  41 and name c )   (resid  42 and name n )                       
        (resid  42 and name ca)   (resid  42 and name c )   11.8 0.5            
  !! 43                                                                         
 assign (resid  42 and name c )   (resid  43 and name n )                       
        (resid  43 and name ca)   (resid  43 and name c )   10.1 0.5            
  !! 44                                                                         
 assign (resid  43 and name c )   (resid  44 and name n )                       
        (resid  44 and name ca)   (resid  44 and name c )   10.2 0.5            
  !! 45                                                                         
 assign (resid  44 and name c )   (resid  45 and name n )                       
        (resid  45 and name ca)   (resid  45 and name c )   9.6 0.5             
  !! 46                                                                         
 assign (resid  45 and name c )   (resid  46 and name n )                       
        (resid  46 and name ca)   (resid  46 and name c )   3.9 0.5             
  !! 47                                                                         
 assign (resid  46 and name c )   (resid  47 and name n )                       
        (resid  47 and name ca)   (resid  47 and name c )   10.2 0.5            
  !! 48                                                                         
 assign (resid  47 and name c )   (resid  48 and name n )                       
        (resid  48 and name ca)   (resid  48 and name c )    7.6 0.5            
  !! 49                                                                         
 assign (resid  48 and name c )   (resid  49 and name n )                       
        (resid  49 and name ca)   (resid  49 and name c )   10.1 0.5            
  !! 50                                                                         
 assign (resid  49 and name c )   (resid  50 and name n )                       
        (resid  50 and name ca)   (resid  50 and name c )   8.9 0.5             
  !! 51                                                                         
 assign (resid  50 and name c )   (resid  51 and name n )                       
        (resid  51 and name ca)   (resid  51 and name c )   11.6 0.5            
  !! 52                                                                         
 assign (resid  51 and name c )   (resid  52 and name n )                       
        (resid  52 and name ca)   (resid  52 and name c )    6.9 0.5            
  !! 53                                                                         
 assign (resid  52 and name c )   (resid  53 and name n )                       
        (resid  53 and name ca)   (resid  53 and name c )   11.3 0.5            
  !! 54                                                                         
 assign (resid  53 and name c )   (resid  54 and name n )                       
        (resid  54 and name ca)   (resid  54 and name c )   3.1 0.5             
  !! 56                                                                         
 assign (resid  55 and name c )   (resid  56 and name n )                       
        (resid  56 and name ca)   (resid  56 and name c )   8.0 0.5             
  !! 57                                                                         
 assign (resid  56 and name c )   (resid  57 and name n )                       
        (resid  57 and name ca)   (resid  57 and name c )   7.6 0.5             
  !! 58                                                                         
 assign (resid  57 and name c )   (resid  58 and name n )                       
        (resid  58 and name ca)   (resid  58 and name c )   2.5 0.5             
  !! 59                                                                         
 assign (resid  58 and name c )   (resid  59 and name n )                       
        (resid  59 and name ca)   (resid  59 and name c )   2.6 0.5             
  !! 60                                                                         
 assign (resid  59 and name c )   (resid  60 and name n )                       
        (resid  60 and name ca)   (resid  60 and name c )   6.9 0.5             
  !! 61                                                                         
 assign (resid  60 and name c )   (resid  61 and name n )                       
        (resid  61 and name ca)   (resid  61 and name c )   4.5 0.5             
  !! 62                                                                         
 assign (resid  61 and name c )   (resid  62 and name n )                       
        (resid  62 and name ca)   (resid  62 and name c )   3.5 0.5             
  !! 63                                                                         
 assign (resid  62 and name c )   (resid  63 and name n )                       
        (resid  63 and name ca)   (resid  63 and name c )   4.7 0.5             
  !! 64                                                                         
 assign (resid  63 and name c )   (resid  64 and name n )                       
        (resid  64 and name ca)   (resid  64 and name c )   3.9 0.5             
  !! 65                                                                         
 assign (resid  64 and name c )   (resid  65 and name n )                       
        (resid  65 and name ca)   (resid  65 and name c )   4.1 0.5             
  !! 66                                                                         
 assign (resid  65 and name c )   (resid  66 and name n )                       
        (resid  66 and name ca)   (resid  66 and name c )   4.6 0.5             
  !! 67                                                                         
 assign (resid  66 and name c )   (resid  67 and name n )                       
        (resid  67 and name ca)   (resid  67 and name c )   5.1 0.5             
  !! 68                                                                         
 assign (resid  67 and name c )   (resid  68 and name n )                       
        (resid  68 and name ca)   (resid  68 and name c )   4.5 0.5             
  !! 69                                                                         
 assign (resid  68 and name c )   (resid  69 and name n )                       
        (resid  69 and name ca)   (resid  69 and name c )   6.0 0.5             
  !! 70                                                                         
 assign (resid  69 and name c )   (resid  70 and name n )                       
        (resid  70 and name ca)   (resid  70 and name c )   6.3 0.5             
  !! 71                                                                         
 assign (resid  70 and name c )   (resid  71 and name n )                       
        (resid  71 and name ca)   (resid  71 and name c )   7.9 0.5             
  !! 72                                                                         
 assign (resid  71 and name c )   (resid  72 and name n )                       
        (resid  72 and name ca)   (resid  72 and name c )   7.5 0.5             
  !! 73                                                                         
 assign (resid  72 and name c )   (resid  73 and name n )                       
        (resid  73 and name ca)   (resid  73 and name c )   7.7 0.5             
  !! 75                                                                         
 assign (resid  74 and name c )   (resid  75 and name n )                       
        (resid  75 and name ca)   (resid  75 and name c )   7.5 0.5             
  !! 76                                                                         
 assign (resid  75 and name c )   (resid  76 and name n )                       
        (resid  76 and name ca)   (resid  76 and name c )   9.4 0.5             
!!                                                                              
!! J-coupling for glycine                                                       
assign (resid 4 and name ha1) (resid 4 and name ca)                             
       (resid 4 and name n  ) (resid 4 and name hn)                             
       (resid 4 and name ha2) (resid 4 and name ca)                             
       (resid 4 and name n  ) (resid 4 and name hn)                             
   7.9 0.5                                                                      
   7.9 0.5                                                                      


  Entry H atom name         Submitted Coord H atom name
    1    H    GLN   1           H        GLN   1  68.276  26.394   4.894
    2    HA   GLN   1           HA       GLN   1  67.422  26.385   2.447
    3   1HB   GLN   1          1HB       GLN   1  66.262  28.811   3.804
    4   2HB   GLN   1          2HB       GLN   1  66.809  29.005   2.134
    5   1HG   GLN   1          1HG       GLN   1  65.072  27.787   1.309
    6   2HG   GLN   1          2HG       GLN   1  65.245  26.550   2.546
    7   1HE2  GLN   1          1HE2      GLN   1  62.697  27.796   1.567
    8   2HE2  GLN   1          2HE2      GLN   1  61.960  28.486   2.940
    9    HA   PRO   2           HA       PRO   2  71.675  27.972   3.391
   10   1HB   PRO   2          1HB       PRO   2  73.029  25.806   2.400
   11   2HB   PRO   2          2HB       PRO   2  72.365  25.873   4.041
   12   1HG   PRO   2          1HG       PRO   2  71.425  24.382   1.697
   13   2HG   PRO   2          2HG       PRO   2  71.179  24.063   3.420
   14   1HD   PRO   2          1HD       PRO   2  69.333  25.214   1.602
   15   2HD   PRO   2          2HD       PRO   2  69.150  25.029   3.359
   16    H    VAL   3           H        VAL   3  73.766  27.436   1.544
   17    HA   VAL   3           HA       VAL   3  72.816  28.997  -0.753
   18    HB   VAL   3           HB       VAL   3  75.333  28.803  -1.444
   19   1HG1  VAL   3          1HG1      VAL   3  73.936  30.453   0.497
   20   2HG1  VAL   3          2HG1      VAL   3  75.649  30.346   0.887
   21   3HG1  VAL   3          3HG1      VAL   3  75.140  30.919  -0.705
   22   1HG2  VAL   3          1HG2      VAL   3  75.590  26.893   0.370
   23   2HG2  VAL   3          2HG2      VAL   3  76.893  28.062   0.115
   24   3HG2  VAL   3          3HG2      VAL   3  75.782  28.255   1.477
   25    H    GLY   4           H        GLY   4  72.973  25.758  -0.099
   26   1HA   GLY   4          1HA       GLY   4  72.065  24.966  -2.631
   27   2HA   GLY   4          2HA       GLY   4  73.783  24.682  -2.646
   28    H    ILE   5           H        ILE   5  73.215  24.067   0.520
   29    HA   ILE   5           HA       ILE   5  73.124  21.187   0.089
   30    HB   ILE   5           HB       ILE   5  73.023  22.920   2.589
   31   1HG1  ILE   5          1HG1      ILE   5  75.441  21.733   2.587
   32   2HG1  ILE   5          2HG1      ILE   5  75.165  21.801   0.849
   33   1HG2  ILE   5          1HG2      ILE   5  73.255  19.927   2.197
   34   2HG2  ILE   5          2HG2      ILE   5  73.859  20.724   3.651
   35   3HG2  ILE   5          3HG2      ILE   5  72.147  20.812   3.238
   36   1HD1  ILE   5          1HD1      ILE   5  74.423  24.316   2.105
   37   2HD1  ILE   5          2HD1      ILE   5  76.086  23.884   2.488
   38   3HD1  ILE   5          3HD1      ILE   5  75.579  24.015   0.809
   39    H    ASN   6           H        ASN   6  71.134  20.571  -0.748
   40    HA   ASN   6           HA       ASN   6  68.640  21.670   0.302
   41   1HB   ASN   6          1HB       ASN   6  69.607  20.116  -1.953
   42   2HB   ASN   6          2HB       ASN   6  68.150  19.384  -1.281
   43   1HD2  ASN   6          1HD2      ASN   6  66.683  20.090  -2.928
   44   2HD2  ASN   6          2HD2      ASN   6  66.329  21.727  -3.197
   45    H    THR   7           H        THR   7  66.934  20.272   1.059
   46    HA   THR   7           HA       THR   7  67.869  18.297   3.060
   47    HB   THR   7           HB       THR   7  65.573  18.638   3.918
   48    HG1  THR   7           HG1      THR   7  64.073  19.299   2.613
   49   1HG2  THR   7          1HG2      THR   7  67.545  20.625   3.783
   50   2HG2  THR   7          2HG2      THR   7  66.064  21.460   3.314
   51   3HG2  THR   7          3HG2      THR   7  66.154  20.621   4.864
   52    H    SER   8           H        SER   8  68.398  16.951   1.019
   53    HA   SER   8           HA       SER   8  66.060  15.229   0.350
   54   1HB   SER   8          1HB       SER   8  66.562  15.497  -2.039
   55   2HB   SER   8          2HB       SER   8  66.248  17.071  -1.315
   56    HG   SER   8           HG       SER   8  68.171  16.907  -2.678
   57    H    THR   9           H        THR   9  67.045  13.446  -1.276
   58    HA   THR   9           HA       THR   9  69.273  12.169   0.175
   59    HB   THR   9           HB       THR   9  68.535  10.517  -1.921
   60    HG1  THR   9           HG1      THR   9  66.712  11.178  -2.670
   61   1HG2  THR   9          1HG2      THR   9  68.455  10.459   0.806
   62   2HG2  THR   9          2HG2      THR   9  66.735  10.411   0.419
   63   3HG2  THR   9          3HG2      THR   9  67.821   9.181  -0.229
   64    H    THR  10           H        THR  10  70.637  10.766  -1.607
   65    HA   THR  10           HA       THR  10  71.468  12.306  -3.959
   66    HB   THR  10           HB       THR  10  72.644  13.498  -2.161
   67    HG1  THR  10           HG1      THR  10  73.773  13.038  -4.119
   68   1HG2  THR  10          1HG2      THR  10  73.511  10.712  -1.368
   69   2HG2  THR  10          2HG2      THR  10  74.380  12.154  -0.841
   70   3HG2  THR  10          3HG2      THR  10  72.695  11.923  -0.375
   71    H    CYS  11           H        CYS  11  73.923  11.072  -4.415
   72    HA   CYS  11           HA       CYS  11  73.093   8.238  -4.776
   73   1HB   CYS  11          1HB       CYS  11  75.276   9.997  -5.939
   74   2HB   CYS  11          2HB       CYS  11  75.060   8.297  -6.368
   75    H    CYS  12           H        CYS  12  75.241   6.788  -4.848
   76    HA   CYS  12           HA       CYS  12  77.134   7.372  -2.653
   77   1HB   CYS  12          1HB       CYS  12  76.503   5.234  -1.494
   78   2HB   CYS  12          2HB       CYS  12  75.209   6.428  -1.481
   79    H    TYR  13           H        TYR  13  79.100   6.647  -3.356
   80    HA   TYR  13           HA       TYR  13  79.199   4.808  -5.688
   81   1HB   TYR  13          1HB       TYR  13  81.273   6.509  -4.273
   82   2HB   TYR  13          2HB       TYR  13  81.546   5.628  -5.776
   83    HD1  TYR  13           HD1      TYR  13  80.241   6.215  -7.820
   84    HD2  TYR  13           HD2      TYR  13  80.069   8.585  -4.245
   85    HE1  TYR  13           HE1      TYR  13  79.260   8.090  -9.111
   86    HE2  TYR  13           HE2      TYR  13  79.092  10.464  -5.534
   87    HH   TYR  13           HH       TYR  13  79.032  11.245  -7.884
   88    H    ARG  14           H        ARG  14  78.748   3.881  -2.770
   89    HA   ARG  14           HA       ARG  14  81.228   2.322  -2.282
   90   1HB   ARG  14          1HB       ARG  14  78.602   2.673  -0.815
   91   2HB   ARG  14          2HB       ARG  14  79.901   1.626  -0.245
   92   1HG   ARG  14          1HG       ARG  14  81.438   3.538  -0.197
   93   2HG   ARG  14          2HG       ARG  14  80.146   4.598  -0.765
   94   1HD   ARG  14          1HD       ARG  14  78.817   4.074   1.255
   95   2HD   ARG  14          2HD       ARG  14  80.116   3.009   1.825
   96    HE   ARG  14           HE       ARG  14  81.203   5.590   1.185
   97   1HH1  ARG  14          1HH1      ARG  14  81.366   3.726   3.716
   98   2HH1  ARG  14          2HH1      ARG  14  80.836   4.847   4.927
   99   1HH2  ARG  14          1HH2      ARG  14  79.592   7.136   2.637
  100   2HH2  ARG  14          2HH2      ARG  14  79.830   6.780   4.315
  101    H    PHE  15           H        PHE  15  81.431   0.363  -3.228
  102    HA   PHE  15           HA       PHE  15  78.972  -1.162  -4.000
  103   1HB   PHE  15          1HB       PHE  15  81.880  -1.313  -4.866
  104   2HB   PHE  15          2HB       PHE  15  80.589  -2.331  -5.504
  105    HD1  PHE  15           HD1      PHE  15  81.979   1.075  -5.386
  106    HD2  PHE  15           HD2      PHE  15  78.860  -1.421  -6.964
  107    HE1  PHE  15           HE1      PHE  15  81.382   2.851  -7.011
  108    HE2  PHE  15           HE2      PHE  15  78.262   0.355  -8.590
  109    HZ   PHE  15           HZ       PHE  15  79.524   2.489  -8.615
  110    H    ILE  16           H        ILE  16  78.474  -2.573  -2.350
  111    HA   ILE  16           HA       ILE  16  80.680  -3.791  -0.766
  112    HB   ILE  16           HB       ILE  16  77.661  -3.706  -0.426
  113   1HG1  ILE  16          1HG1      ILE  16  79.826  -2.231   1.106
  114   2HG1  ILE  16          2HG1      ILE  16  78.941  -1.516  -0.242
  115   1HG2  ILE  16          1HG2      ILE  16  79.862  -5.043   1.075
  116   2HG2  ILE  16          2HG2      ILE  16  78.614  -4.247   2.035
  117   3HG2  ILE  16          3HG2      ILE  16  78.174  -5.520   0.896
  118   1HD1  ILE  16          1HD1      ILE  16  77.298  -2.789   1.886
  119   2HD1  ILE  16          2HD1      ILE  16  78.120  -1.290   2.321
  120   3HD1  ILE  16          3HD1      ILE  16  76.999  -1.318   0.960
  121    H    ASN  17           H        ASN  17  81.390  -5.768  -1.446
  122    HA   ASN  17           HA       ASN  17  79.609  -7.474  -3.110
  123   1HB   ASN  17          1HB       ASN  17  82.571  -7.423  -2.467
  124   2HB   ASN  17          2HB       ASN  17  81.827  -8.711  -3.412
  125   1HD2  ASN  17          1HD2      ASN  17  83.810  -6.758  -4.421
  126   2HD2  ASN  17          2HD2      ASN  17  83.041  -5.895  -5.665
  127    H    LYS  18           H        LYS  18  79.568  -7.123   0.003
  128    HA   LYS  18           HA       LYS  18  80.155  -9.925   0.839
  129   1HB   LYS  18          1HB       LYS  18  79.493  -7.349   2.299
  130   2HB   LYS  18          2HB       LYS  18  79.764  -8.889   3.114
  131   1HG   LYS  18          1HG       LYS  18  82.024  -9.016   2.127
  132   2HG   LYS  18          2HG       LYS  18  81.755  -7.472   1.317
  133   1HD   LYS  18          1HD       LYS  18  81.448  -6.372   3.505
  134   2HD   LYS  18          2HD       LYS  18  81.719  -7.914   4.319
  135   1HE   LYS  18          1HE       LYS  18  84.001  -8.016   3.548
  136   2HE   LYS  18          2HE       LYS  18  83.751  -6.639   2.457
  137   1HZ   LYS  18          1HZ       LYS  18  83.411  -6.546   5.409
  138   2HZ   LYS  18          2HZ       LYS  18  84.775  -5.969   4.577
  139   3HZ   LYS  18          3HZ       LYS  18  83.259  -5.240   4.338
  140    H    LYS  19           H        LYS  19  78.496 -11.064   2.113
  141    HA   LYS  19           HA       LYS  19  75.905 -11.142   0.919
  142   1HB   LYS  19          1HB       LYS  19  77.027 -12.117   3.561
  143   2HB   LYS  19          2HB       LYS  19  75.419 -12.550   2.981
  144   1HG   LYS  19          1HG       LYS  19  76.408 -13.517   0.941
  145   2HG   LYS  19          2HG       LYS  19  78.020 -13.084   1.514
  146   1HD   LYS  19          1HD       LYS  19  77.701 -14.511   3.499
  147   2HD   LYS  19          2HD       LYS  19  76.090 -14.952   2.925
  148   1HE   LYS  19          1HE       LYS  19  76.944 -16.186   1.104
  149   2HE   LYS  19          2HE       LYS  19  78.527 -15.386   1.190
  150   1HZ   LYS  19          1HZ       LYS  19  77.388 -17.061   3.366
  151   2HZ   LYS  19          2HZ       LYS  19  78.499 -17.636   2.216
  152   3HZ   LYS  19          3HZ       LYS  19  78.951 -16.404   3.297
  153    H    ILE  20           H        ILE  20  73.879 -10.359   1.655
  154    HA   ILE  20           HA       ILE  20  74.017  -8.087   3.591
  155    HB   ILE  20           HB       ILE  20  71.932  -8.864   1.510
  156   1HG1  ILE  20          1HG1      ILE  20  74.029  -6.668   1.423
  157   2HG1  ILE  20          2HG1      ILE  20  74.156  -8.200   0.559
  158   1HG2  ILE  20          1HG2      ILE  20  71.080  -7.505   3.419
  159   2HG2  ILE  20          2HG2      ILE  20  72.305  -6.288   3.067
  160   3HG2  ILE  20          3HG2      ILE  20  71.032  -6.624   1.893
  161   1HD1  ILE  20          1HD1      ILE  20  71.968  -7.658  -0.577
  162   2HD1  ILE  20          2HD1      ILE  20  72.032  -6.064   0.174
  163   3HD1  ILE  20          3HD1      ILE  20  73.274  -6.544  -0.982
  164    HA   PRO  21           HA       PRO  21  71.830 -10.666   6.455
  165   1HB   PRO  21          1HB       PRO  21  70.656  -8.756   8.030
  166   2HB   PRO  21          2HB       PRO  21  72.379  -9.171   8.126
  167   1HG   PRO  21          1HG       PRO  21  71.057  -6.884   6.753
  168   2HG   PRO  21          2HG       PRO  21  72.567  -6.927   7.676
  169   1HD   PRO  21          1HD       PRO  21  72.508  -6.913   4.964
  170   2HD   PRO  21          2HD       PRO  21  73.794  -7.706   5.896
  171    H    LYS  22           H        LYS  22  70.206 -11.644   5.204
  172    HA   LYS  22           HA       LYS  22  67.951 -10.396   4.002
  173   1HB   LYS  22          1HB       LYS  22  68.779 -12.686   3.554
  174   2HB   LYS  22          2HB       LYS  22  68.280 -13.179   5.171
  175   1HG   LYS  22          1HG       LYS  22  65.937 -12.628   4.615
  176   2HG   LYS  22          2HG       LYS  22  66.436 -12.156   2.990
  177   1HD   LYS  22          1HD       LYS  22  67.289 -14.439   2.588
  178   2HD   LYS  22          2HD       LYS  22  66.778 -14.911   4.209
  179   1HE   LYS  22          1HE       LYS  22  64.450 -14.568   3.663
  180   2HE   LYS  22          2HE       LYS  22  64.871 -13.824   2.108
  181   1HZ   LYS  22          1HZ       LYS  22  65.608 -16.585   2.926
  182   2HZ   LYS  22          2HZ       LYS  22  64.320 -16.201   1.887
  183   3HZ   LYS  22          3HZ       LYS  22  65.916 -15.867   1.417
  184    H    GLN  23           H        GLN  23  68.379 -11.759   7.256
  185    HA   GLN  23           HA       GLN  23  65.691 -11.526   8.171
  186   1HB   GLN  23          1HB       GLN  23  67.501 -12.779   9.291
  187   2HB   GLN  23          2HB       GLN  23  68.325 -11.263   9.660
  188   1HG   GLN  23          1HG       GLN  23  66.386 -10.527  10.994
  189   2HG   GLN  23          2HG       GLN  23  65.553 -12.036  10.620
  190   1HE2  GLN  23          1HE2      GLN  23  65.569 -13.161  12.587
  191   2HE2  GLN  23          2HE2      GLN  23  66.964 -13.467  13.505
  192    H    ARG  24           H        ARG  24  68.342  -9.149   8.112
  193    HA   ARG  24           HA       ARG  24  66.663  -7.120   9.457
  194   1HB   ARG  24          1HB       ARG  24  69.500  -7.194   8.393
  195   2HB   ARG  24          2HB       ARG  24  68.797  -5.776   9.173
  196   1HG   ARG  24          1HG       ARG  24  68.331  -7.111  11.194
  197   2HG   ARG  24          2HG       ARG  24  69.037  -8.530  10.423
  198   1HD   ARG  24          1HD       ARG  24  71.215  -7.344  10.246
  199   2HD   ARG  24          2HD       ARG  24  70.500  -5.942  11.066
  200    HE   ARG  24           HE       ARG  24  70.094  -8.442  12.523
  201   1HH1  ARG  24          1HH1      ARG  24  70.671  -5.482  13.414
  202   2HH1  ARG  24          2HH1      ARG  24  72.155  -5.730  14.271
  203   1HH2  ARG  24          1HH2      ARG  24  72.672  -8.910  12.993
  204   2HH2  ARG  24          2HH2      ARG  24  73.286  -7.668  14.033
  205    H    LEU  25           H        LEU  25  66.925  -8.211   6.281
  206    HA   LEU  25           HA       LEU  25  66.786  -5.586   4.953
  207   1HB   LEU  25          1HB       LEU  25  66.648  -8.496   4.167
  208   2HB   LEU  25          2HB       LEU  25  66.219  -7.245   3.005
  209    HG   LEU  25           HG       LEU  25  68.816  -7.111   4.525
  210   1HD1  LEU  25          1HD1      LEU  25  68.036  -9.002   2.402
  211   2HD1  LEU  25          2HD1      LEU  25  69.482  -8.069   2.020
  212   3HD1  LEU  25          3HD1      LEU  25  69.423  -9.041   3.488
  213   1HD2  LEU  25          1HD2      LEU  25  67.621  -5.279   2.958
  214   2HD2  LEU  25          2HD2      LEU  25  69.373  -5.476   2.997
  215   3HD2  LEU  25          3HD2      LEU  25  68.432  -6.218   1.703
  216    H    GLU  26           H        GLU  26  64.871  -4.460   5.060
  217    HA   GLU  26           HA       GLU  26  62.305  -6.017   5.159
  218   1HB   GLU  26          1HB       GLU  26  63.163  -3.311   6.216
  219   2HB   GLU  26          2HB       GLU  26  61.476  -3.814   6.163
  220   1HG   GLU  26          1HG       GLU  26  63.698  -5.303   7.595
  221   2HG   GLU  26          2HG       GLU  26  62.492  -4.281   8.375
  222    H    SER  27           H        SER  27  64.017  -3.307   3.690
  223    HA   SER  27           HA       SER  27  62.358  -3.493   1.274
  224   1HB   SER  27          1HB       SER  27  61.733  -1.016   1.563
  225   2HB   SER  27          2HB       SER  27  60.886  -2.162   2.594
  226    HG   SER  27           HG       SER  27  61.645  -0.486   3.864
  227    H    TYR  28           H        TYR  28  63.050  -1.409  -0.142
  228    HA   TYR  28           HA       TYR  28  65.809  -0.517   0.342
  229   1HB   TYR  28          1HB       TYR  28  66.657  -1.654  -1.719
  230   2HB   TYR  28          2HB       TYR  28  66.145  -2.806  -0.491
  231    HD1  TYR  28           HD1      TYR  28  63.969  -4.007  -0.725
  232    HD2  TYR  28           HD2      TYR  28  65.476  -1.418  -3.806
  233    HE1  TYR  28           HE1      TYR  28  62.360  -4.988  -2.337
  234    HE2  TYR  28           HE2      TYR  28  63.863  -2.396  -5.417
  235    HH   TYR  28           HH       TYR  28  62.489  -4.263  -5.755
  236    H    ARG  29           H        ARG  29  66.128   1.417  -0.686
  237    HA   ARG  29           HA       ARG  29  64.054   2.284  -2.667
  238   1HB   ARG  29          1HB       ARG  29  64.724   4.553  -2.014
  239   2HB   ARG  29          2HB       ARG  29  64.367   3.602  -0.576
  240   1HG   ARG  29          1HG       ARG  29  66.783   3.193  -0.246
  241   2HG   ARG  29          2HG       ARG  29  67.137   4.141  -1.689
  242   1HD   ARG  29          1HD       ARG  29  65.728   5.195   0.791
  243   2HD   ARG  29          2HD       ARG  29  67.411   5.530   0.342
  244    HE   ARG  29           HE       ARG  29  66.246   6.329  -1.912
  245   1HH1  ARG  29          1HH1      ARG  29  64.018   6.145   0.536
  246   2HH1  ARG  29          2HH1      ARG  29  63.625   7.831   0.566
  247   1HH2  ARG  29          1HH2      ARG  29  66.212   8.747  -1.550
  248   2HH2  ARG  29          2HH2      ARG  29  64.863   9.303  -0.616
  249    H    ARG  30           H        ARG  30  64.724   3.082  -4.720
  250    HA   ARG  30           HA       ARG  30  67.521   2.340  -5.473
  251   1HB   ARG  30          1HB       ARG  30  64.917   2.665  -6.984
  252   2HB   ARG  30          2HB       ARG  30  66.462   2.387  -7.789
  253   1HG   ARG  30          1HG       ARG  30  66.768   0.313  -6.492
  254   2HG   ARG  30          2HG       ARG  30  65.214   0.579  -5.702
  255   1HD   ARG  30          1HD       ARG  30  64.086   0.484  -7.922
  256   2HD   ARG  30          2HD       ARG  30  65.655   0.143  -8.679
  257    HE   ARG  30           HE       ARG  30  65.503  -1.724  -6.637
  258   1HH1  ARG  30          1HH1      ARG  30  62.534  -1.611  -6.965
  259   2HH1  ARG  30          2HH1      ARG  30  62.255  -2.812  -8.182
  260   1HH2  ARG  30          1HH2      ARG  30  65.566  -2.923  -9.207
  261   2HH2  ARG  30          2HH2      ARG  30  63.972  -3.555  -9.451
  262    H    THR  31           H        THR  31  68.769   3.786  -6.768
  263    HA   THR  31           HA       THR  31  68.269   6.636  -6.248
  264    HB   THR  31           HB       THR  31  70.429   5.545  -8.035
  265    HG1  THR  31           HG1      THR  31  71.333   4.482  -6.463
  266   1HG2  THR  31          1HG2      THR  31  70.029   7.806  -6.118
  267   2HG2  THR  31          2HG2      THR  31  71.666   7.210  -6.395
  268   3HG2  THR  31          3HG2      THR  31  70.710   7.822  -7.743
  269    H    THR  32           H        THR  32  68.489   8.201  -8.149
  270    HA   THR  32           HA       THR  32  66.711   7.303 -10.352
  271    HB   THR  32           HB       THR  32  67.796  10.044  -9.635
  272    HG1  THR  32           HG1      THR  32  66.654   9.328  -7.899
  273   1HG2  THR  32          1HG2      THR  32  65.646   9.013 -11.465
  274   2HG2  THR  32          2HG2      THR  32  65.521  10.627 -10.767
  275   3HG2  THR  32          3HG2      THR  32  66.897  10.212 -11.787
  276    H    SER  33           H        SER  33  67.620   6.686 -12.263
  277    HA   SER  33           HA       SER  33  70.410   6.829 -12.873
  278   1HB   SER  33          1HB       SER  33  67.953   6.485 -14.616
  279   2HB   SER  33          2HB       SER  33  69.598   6.145 -15.142
  280    HG   SER  33           HG       SER  33  68.194   4.381 -14.183
  281    H    SER  34           H        SER  34  67.694   8.916 -13.805
  282    HA   SER  34           HA       SER  34  69.063  10.533 -15.727
  283   1HB   SER  34          1HB       SER  34  66.734  11.062 -13.864
  284   2HB   SER  34          2HB       SER  34  67.188  12.127 -15.192
  285    HG   SER  34           HG       SER  34  66.230   9.472 -15.264
  286    H    HIS  35           H        HIS  35  68.711  10.932 -12.192
  287    HA   HIS  35           HA       HIS  35  70.355  13.405 -12.271
  288   1HB   HIS  35          1HB       HIS  35  68.851  11.901 -10.109
  289   2HB   HIS  35          2HB       HIS  35  69.745  13.392  -9.816
  290    HD1  HIS  35           HD1      HIS  35  68.752  15.590 -10.740
  291    HD2  HIS  35           HD2      HIS  35  66.469  12.229 -11.667
  292    HE1  HIS  35           HE1      HIS  35  66.536  16.446 -11.622
  293    H    CYS  36           H        CYS  36  70.568  10.029 -11.313
  294    HA   CYS  36           HA       CYS  36  73.197  10.451 -10.006
  295   1HB   CYS  36          1HB       CYS  36  71.153   8.952  -9.292
  296   2HB   CYS  36          2HB       CYS  36  71.842   7.807 -10.443
  297    HA   PRO  37           HA       PRO  37  75.151   9.256 -13.830
  298   1HB   PRO  37          1HB       PRO  37  77.718   9.016 -12.907
  299   2HB   PRO  37          2HB       PRO  37  76.947  10.582 -13.226
  300   1HG   PRO  37          1HG       PRO  37  77.440   9.205 -10.650
  301   2HG   PRO  37          2HG       PRO  37  77.437  10.933 -11.026
  302   1HD   PRO  37          1HD       PRO  37  75.383   9.579  -9.773
  303   2HD   PRO  37          2HD       PRO  37  75.216  11.134 -10.614
  304    H    ARG  38           H        ARG  38  75.302   7.411 -10.853
  305    HA   ARG  38           HA       ARG  38  75.828   4.928 -12.452
  306   1HB   ARG  38          1HB       ARG  38  76.815   5.773  -9.711
  307   2HB   ARG  38          2HB       ARG  38  77.031   4.153 -10.373
  308   1HG   ARG  38          1HG       ARG  38  77.957   6.642 -11.821
  309   2HG   ARG  38          2HG       ARG  38  78.993   5.746 -10.710
  310   1HD   ARG  38          1HD       ARG  38  78.547   3.671 -12.098
  311   2HD   ARG  38          2HD       ARG  38  77.751   4.724 -13.285
  312    HE   ARG  38           HE       ARG  38  79.891   5.942 -13.527
  313   1HH1  ARG  38          1HH1      ARG  38  79.951   2.637 -13.102
  314   2HH1  ARG  38          2HH1      ARG  38  81.632   2.531 -12.698
  315   1HH2  ARG  38          1HH2      ARG  38  82.061   5.963 -12.436
  316   2HH2  ARG  38          2HH2      ARG  38  82.826   4.414 -12.322
  317    H    GLU  39           H        GLU  39  74.084   3.580 -12.335
  318    HA   GLU  39           HA       GLU  39  71.873   3.991 -10.507
  319   1HB   GLU  39          1HB       GLU  39  72.688   1.753 -12.390
  320   2HB   GLU  39          2HB       GLU  39  71.136   1.797 -11.552
  321   1HG   GLU  39          1HG       GLU  39  70.627   3.973 -12.603
  322   2HG   GLU  39          2HG       GLU  39  72.176   3.928 -13.443
  323    H    ALA  40           H        ALA  40  71.611   3.158  -8.479
  324    HA   ALA  40           HA       ALA  40  73.158   0.751  -7.641
  325   1HB   ALA  40          1HB       ALA  40  74.345   2.989  -7.167
  326   2HB   ALA  40          2HB       ALA  40  73.050   3.299  -6.011
  327   3HB   ALA  40          3HB       ALA  40  74.120   1.915  -5.786
  328    H    VAL  41           H        VAL  41  72.158  -0.324  -5.809
  329    HA   VAL  41           HA       VAL  41  69.337   0.517  -5.332
  330    HB   VAL  41           HB       VAL  41  68.968  -1.827  -4.807
  331   1HG1  VAL  41          1HG1      VAL  41  70.696  -1.436  -7.252
  332   2HG1  VAL  41          2HG1      VAL  41  69.845  -2.940  -6.906
  333   3HG1  VAL  41          3HG1      VAL  41  68.935  -1.451  -7.165
  334   1HG2  VAL  41          1HG2      VAL  41  71.915  -1.843  -4.514
  335   2HG2  VAL  41          2HG2      VAL  41  70.688  -2.773  -3.650
  336   3HG2  VAL  41          3HG2      VAL  41  71.219  -3.286  -5.254
  337    H    ILE  42           H        ILE  42  68.702   1.004  -3.220
  338    HA   ILE  42           HA       ILE  42  70.837   0.834  -1.121
  339    HB   ILE  42           HB       ILE  42  68.422   2.649  -1.391
  340   1HG1  ILE  42          1HG1      ILE  42  71.353   3.358  -1.659
  341   2HG1  ILE  42          2HG1      ILE  42  70.314   3.017  -3.045
  342   1HG2  ILE  42          1HG2      ILE  42  69.188   2.125   0.954
  343   2HG2  ILE  42          2HG2      ILE  42  70.745   2.839   0.536
  344   3HG2  ILE  42          3HG2      ILE  42  69.288   3.832   0.521
  345   1HD1  ILE  42          1HD1      ILE  42  69.464   5.037  -0.986
  346   2HD1  ILE  42          2HD1      ILE  42  70.592   5.498  -2.261
  347   3HD1  ILE  42          3HD1      ILE  42  68.981   4.910  -2.676
  348    H    PHE  43           H        PHE  43  70.396  -0.572   0.528
  349    HA   PHE  43           HA       PHE  43  67.684  -1.779   0.665
  350   1HB   PHE  43          1HB       PHE  43  70.450  -2.459   1.656
  351   2HB   PHE  43          2HB       PHE  43  69.034  -3.293   2.301
  352    HD1  PHE  43           HD1      PHE  43  67.424  -4.415   0.653
  353    HD2  PHE  43           HD2      PHE  43  71.342  -3.047  -0.456
  354    HE1  PHE  43           HE1      PHE  43  67.363  -5.869  -1.355
  355    HE2  PHE  43           HE2      PHE  43  71.280  -4.506  -2.461
  356    HZ   PHE  43           HZ       PHE  43  69.292  -5.914  -2.911
  357    H    LYS  44           H        LYS  44  66.303  -1.163   2.234
  358    HA   LYS  44           HA       LYS  44  67.274   0.665   4.371
  359   1HB   LYS  44          1HB       LYS  44  64.522  -0.083   3.330
  360   2HB   LYS  44          2HB       LYS  44  64.850   1.193   4.492
  361   1HG   LYS  44          1HG       LYS  44  66.258   2.366   2.850
  362   2HG   LYS  44          2HG       LYS  44  65.943   1.094   1.671
  363   1HD   LYS  44          1HD       LYS  44  63.772   2.764   2.964
  364   2HD   LYS  44          2HD       LYS  44  64.487   3.131   1.395
  365   1HE   LYS  44          1HE       LYS  44  63.304   1.486   0.350
  366   2HE   LYS  44          2HE       LYS  44  63.583   0.330   1.666
  367   1HZ   LYS  44          1HZ       LYS  44  62.022   1.691   3.026
  368   2HZ   LYS  44          2HZ       LYS  44  61.631   2.565   1.622
  369   3HZ   LYS  44          3HZ       LYS  44  61.287   0.908   1.710
  370    H    THR  45           H        THR  45  67.577  -0.144   6.386
  371    HA   THR  45           HA       THR  45  66.438  -2.816   7.087
  372    HB   THR  45           HB       THR  45  68.542  -1.092   8.426
  373    HG1  THR  45           HG1      THR  45  69.185  -1.649   6.356
  374   1HG2  THR  45          1HG2      THR  45  67.481  -3.845   8.867
  375   2HG2  THR  45          2HG2      THR  45  69.206  -3.578   9.102
  376   3HG2  THR  45          3HG2      THR  45  68.036  -2.656  10.043
  377    H    LYS  46           H        LYS  46  65.774  -3.057   9.442
  378    HA   LYS  46           HA       LYS  46  63.612  -1.334  10.142
  379   1HB   LYS  46          1HB       LYS  46  65.276  -3.345  11.677
  380   2HB   LYS  46          2HB       LYS  46  63.808  -2.615  12.328
  381   1HG   LYS  46          1HG       LYS  46  62.520  -3.491  10.418
  382   2HG   LYS  46          2HG       LYS  46  63.988  -4.218   9.762
  383   1HD   LYS  46          1HD       LYS  46  64.227  -5.586  11.798
  384   2HD   LYS  46          2HD       LYS  46  62.757  -4.868  12.456
  385   1HE   LYS  46          1HE       LYS  46  61.459  -5.771  10.548
  386   2HE   LYS  46          2HE       LYS  46  62.939  -6.513   9.906
  387   1HZ   LYS  46          1HZ       LYS  46  61.972  -6.967  12.672
  388   2HZ   LYS  46          2HZ       LYS  46  61.557  -7.983  11.379
  389   3HZ   LYS  46          3HZ       LYS  46  63.184  -7.820  11.839
  390    H    LEU  47           H        LEU  47  67.032  -1.160  10.933
  391    HA   LEU  47           HA       LEU  47  66.550   0.834  13.083
  392   1HB   LEU  47          1HB       LEU  47  68.983  -0.588  11.970
  393   2HB   LEU  47          2HB       LEU  47  69.070   0.601  13.270
  394    HG   LEU  47           HG       LEU  47  67.317  -1.865  13.373
  395   1HD1  LEU  47          1HD1      LEU  47  69.827  -2.317  13.280
  396   2HD1  LEU  47          2HD1      LEU  47  69.951  -1.434  14.801
  397   3HD1  LEU  47          3HD1      LEU  47  68.998  -2.915  14.717
  398   1HD2  LEU  47          1HD2      LEU  47  67.969   0.413  15.205
  399   2HD2  LEU  47          2HD2      LEU  47  66.429  -0.403  14.941
  400   3HD2  LEU  47          3HD2      LEU  47  67.679  -1.174  15.918
  401    H    ASP  48           H        ASP  48  65.993   1.449  10.193
  402    HA   ASP  48           HA       ASP  48  66.349   3.203   8.664
  403   1HB   ASP  48          1HB       ASP  48  67.405   4.344  11.267
  404   2HB   ASP  48          2HB       ASP  48  67.175   5.311   9.811
  405    H    LYS  49           H        LYS  49  68.404   1.156   8.799
  406    HA   LYS  49           HA       LYS  49  70.918   2.700   8.328
  407   1HB   LYS  49          1HB       LYS  49  70.262  -0.218   8.833
  408   2HB   LYS  49          2HB       LYS  49  71.881   0.353   8.442
  409   1HG   LYS  49          1HG       LYS  49  71.841   1.838  10.410
  410   2HG   LYS  49          2HG       LYS  49  70.218   1.271  10.804
  411   1HD   LYS  49          1HD       LYS  49  71.076  -1.031  11.044
  412   2HD   LYS  49          2HD       LYS  49  72.700  -0.466  10.655
  413   1HE   LYS  49          1HE       LYS  49  71.236   0.890  12.900
  414   2HE   LYS  49          2HE       LYS  49  71.953  -0.706  13.192
  415   1HZ   LYS  49          1HZ       LYS  49  73.442   1.476  11.846
  416   2HZ   LYS  49          2HZ       LYS  49  73.477   1.268  13.532
  417   3HZ   LYS  49          3HZ       LYS  49  74.059   0.043  12.510
  418    H    GLU  50           H        GLU  50  70.960   3.335   6.204
  419    HA   GLU  50           HA       GLU  50  69.856   1.534   4.120
  420   1HB   GLU  50          1HB       GLU  50  70.833   4.409   4.092
  421   2HB   GLU  50          2HB       GLU  50  70.050   3.595   2.737
  422   1HG   GLU  50          1HG       GLU  50  68.038   3.226   4.122
  423   2HG   GLU  50          2HG       GLU  50  68.817   4.042   5.472
  424    H    ILE  51           H        ILE  51  71.269   0.237   3.037
  425    HA   ILE  51           HA       ILE  51  74.136   1.104   2.837
  426    HB   ILE  51           HB       ILE  51  72.898  -1.654   3.148
  427   1HG1  ILE  51          1HG1      ILE  51  74.686  -0.120   5.054
  428   2HG1  ILE  51          2HG1      ILE  51  72.926  -0.090   5.158
  429   1HG2  ILE  51          1HG2      ILE  51  75.630  -0.720   2.444
  430   2HG2  ILE  51          2HG2      ILE  51  75.540  -1.983   3.672
  431   3HG2  ILE  51          3HG2      ILE  51  74.835  -2.252   2.077
  432   1HD1  ILE  51          1HD1      ILE  51  73.264  -2.740   5.041
  433   2HD1  ILE  51          2HD1      ILE  51  74.824  -2.311   5.743
  434   3HD1  ILE  51          3HD1      ILE  51  73.331  -1.859   6.568
  435    H    CYS  52           H        CYS  52  74.797   1.391   0.766
  436    HA   CYS  52           HA       CYS  52  73.064   0.767  -1.494
  437   1HB   CYS  52          1HB       CYS  52  75.867   1.866  -1.154
  438   2HB   CYS  52          2HB       CYS  52  75.098   1.696  -2.731
  439    H    ALA  53           H        ALA  53  73.374  -0.844  -3.051
  440    HA   ALA  53           HA       ALA  53  75.617  -2.775  -2.594
  441   1HB   ALA  53          1HB       ALA  53  72.678  -3.107  -2.543
  442   2HB   ALA  53          2HB       ALA  53  73.544  -4.335  -3.467
  443   3HB   ALA  53          3HB       ALA  53  73.930  -4.076  -1.766
  444    H    ASP  54           H        ASP  54  76.626  -3.412  -4.470
  445    HA   ASP  54           HA       ASP  54  76.327  -1.984  -6.904
  446   1HB   ASP  54          1HB       ASP  54  78.295  -3.301  -6.028
  447   2HB   ASP  54          2HB       ASP  54  77.444  -4.773  -6.498
  448    HA   PRO  55           HA       PRO  55  72.771  -4.366  -8.339
  449   1HB   PRO  55          1HB       PRO  55  72.103  -2.757 -10.437
  450   2HB   PRO  55          2HB       PRO  55  71.675  -2.371  -8.759
  451   1HG   PRO  55          1HG       PRO  55  73.775  -1.220 -10.485
  452   2HG   PRO  55          2HG       PRO  55  72.859  -0.479  -9.167
  453   1HD   PRO  55          1HD       PRO  55  75.487  -1.428  -9.021
  454   2HD   PRO  55          2HD       PRO  55  74.444  -1.018  -7.643
  455    H    THR  56           H        THR  56  73.999  -6.162  -9.131
  456    HA   THR  56           HA       THR  56  74.456  -6.160 -12.054
  457    HB   THR  56           HB       THR  56  76.627  -6.825 -10.041
  458    HG1  THR  56           HG1      THR  56  77.547  -4.899 -10.714
  459   1HG2  THR  56          1HG2      THR  56  76.545  -6.720 -13.064
  460   2HG2  THR  56          2HG2      THR  56  78.045  -6.783 -12.137
  461   3HG2  THR  56          3HG2      THR  56  76.896  -8.119 -12.049
  462    H    GLN  57           H        GLN  57  74.966  -8.030  -9.048
  463    HA   GLN  57           HA       GLN  57  74.416 -10.567 -10.442
  464   1HB   GLN  57          1HB       GLN  57  75.135  -9.737  -7.625
  465   2HB   GLN  57          2HB       GLN  57  74.844 -11.417  -8.075
  466   1HG   GLN  57          1HG       GLN  57  76.641 -11.342  -9.711
  467   2HG   GLN  57          2HG       GLN  57  76.874  -9.618  -9.427
  468   1HE2  GLN  57          1HE2      GLN  57  78.989 -11.533  -9.024
  469   2HE2  GLN  57          2HE2      GLN  57  79.352 -11.572  -7.366
  470    H    LYS  58           H        LYS  58  72.593 -11.840 -10.095
  471    HA   LYS  58           HA       LYS  58  70.067 -10.598  -9.652
  472   1HB   LYS  58          1HB       LYS  58  71.029 -13.466  -9.622
  473   2HB   LYS  58          2HB       LYS  58  69.323 -13.027  -9.581
  474   1HG   LYS  58          1HG       LYS  58  69.601 -11.777 -11.698
  475   2HG   LYS  58          2HG       LYS  58  71.301 -12.248 -11.746
  476   1HD   LYS  58          1HD       LYS  58  70.643 -14.626 -11.805
  477   2HD   LYS  58          2HD       LYS  58  68.942 -14.157 -11.767
  478   1HE   LYS  58          1HE       LYS  58  69.206 -12.953 -13.904
  479   2HE   LYS  58          2HE       LYS  58  70.924 -13.399 -13.945
  480   1HZ   LYS  58          1HZ       LYS  58  68.725 -15.374 -13.689
  481   2HZ   LYS  58          2HZ       LYS  58  69.429 -14.955 -15.177
  482   3HZ   LYS  58          3HZ       LYS  58  70.366 -15.695 -13.968
  483    H    TRP  59           H        TRP  59  72.218 -12.151  -7.264
  484    HA   TRP  59           HA       TRP  59  70.401 -12.937  -5.301
  485   1HB   TRP  59          1HB       TRP  59  72.226 -12.726  -3.752
  486   2HB   TRP  59          2HB       TRP  59  72.916 -13.144  -5.314
  487    HD1  TRP  59           HD1      TRP  59  73.373 -10.619  -6.777
  488    HE1  TRP  59           HE1      TRP  59  74.841  -8.691  -5.904
  489    HE3  TRP  59           HE3      TRP  59  73.277 -11.665  -1.804
  490    HZ2  TRP  59           HZ2      TRP  59  75.833  -7.714  -3.399
  491    HZ3  TRP  59           HZ3      TRP  59  74.484 -10.224  -0.194
  492    HH2  TRP  59           HH2      TRP  59  75.754  -8.250  -0.985
  493    H    VAL  60           H        VAL  60  71.435  -9.521  -5.835
  494    HA   VAL  60           HA       VAL  60  69.903  -8.563  -3.538
  495    HB   VAL  60           HB       VAL  60  70.460  -6.345  -4.458
  496   1HG1  VAL  60          1HG1      VAL  60  72.304  -8.287  -3.668
  497   2HG1  VAL  60          2HG1      VAL  60  73.021  -7.563  -5.108
  498   3HG1  VAL  60          3HG1      VAL  60  72.579  -6.547  -3.740
  499   1HG2  VAL  60          1HG2      VAL  60  71.280  -7.920  -6.911
  500   2HG2  VAL  60          2HG2      VAL  60  70.078  -6.638  -6.805
  501   3HG2  VAL  60          3HG2      VAL  60  71.789  -6.260  -6.621
  502    H    GLN  61           H        GLN  61  69.431  -8.807  -7.042
  503    HA   GLN  61           HA       GLN  61  66.860  -7.548  -7.234
  504   1HB   GLN  61          1HB       GLN  61  68.254  -9.785  -8.749
  505   2HB   GLN  61          2HB       GLN  61  66.750  -9.054  -9.299
  506   1HG   GLN  61          1HG       GLN  61  67.795  -6.879  -9.483
  507   2HG   GLN  61          2HG       GLN  61  69.271  -7.477  -8.727
  508   1HE2  GLN  61          1HE2      GLN  61  69.577  -6.331 -11.225
  509   2HE2  GLN  61          2HE2      GLN  61  69.864  -7.523 -12.399
  510    H    ASP  62           H        ASP  62  67.921 -10.822  -6.489
  511    HA   ASP  62           HA       ASP  62  65.366 -12.117  -6.306
  512   1HB   ASP  62          1HB       ASP  62  68.101 -12.545  -5.054
  513   2HB   ASP  62          2HB       ASP  62  66.786 -13.691  -4.838
  514    H    PHE  63           H        PHE  63  67.411 -10.404  -3.961
  515    HA   PHE  63           HA       PHE  63  65.750 -10.827  -1.651
  516   1HB   PHE  63          1HB       PHE  63  67.911  -8.918  -2.501
  517   2HB   PHE  63          2HB       PHE  63  67.043  -8.591  -1.022
  518    HD1  PHE  63           HD1      PHE  63  66.564 -11.030   0.294
  519    HD2  PHE  63           HD2      PHE  63  69.959  -9.967  -2.110
  520    HE1  PHE  63           HE1      PHE  63  67.933 -12.723   1.478
  521    HE2  PHE  63           HE2      PHE  63  71.329 -11.662  -0.927
  522    HZ   PHE  63           HZ       PHE  63  70.316 -13.042   0.867
  523    H    MET  64           H        MET  64  65.843  -8.298  -4.166
  524    HA   MET  64           HA       MET  64  63.964  -6.485  -3.036
  525   1HB   MET  64          1HB       MET  64  64.666  -7.245  -5.886
  526   2HB   MET  64          2HB       MET  64  63.612  -5.887  -5.491
  527   1HG   MET  64          1HG       MET  64  65.403  -4.873  -4.137
  528   2HG   MET  64          2HG       MET  64  66.459  -6.231  -4.506
  529   1HE   MET  64          1HE       MET  64  67.626  -4.038  -4.681
  530   2HE   MET  64          2HE       MET  64  68.501  -4.354  -6.186
  531   3HE   MET  64          3HE       MET  64  67.538  -2.889  -6.013
  532    H    LYS  65           H        LYS  65  63.429  -9.417  -5.021
  533    HA   LYS  65           HA       LYS  65  60.582  -9.126  -5.303
  534   1HB   LYS  65          1HB       LYS  65  62.463 -11.512  -5.239
  535   2HB   LYS  65          2HB       LYS  65  60.758 -11.643  -5.668
  536   1HG   LYS  65          1HG       LYS  65  61.087 -10.036  -7.507
  537   2HG   LYS  65          2HG       LYS  65  62.795  -9.898  -7.083
  538   1HD   LYS  65          1HD       LYS  65  63.096 -12.314  -7.515
  539   2HD   LYS  65          2HD       LYS  65  61.394 -12.444  -7.957
  540   1HE   LYS  65          1HE       LYS  65  61.681 -11.139  -9.917
  541   2HE   LYS  65          2HE       LYS  65  63.238 -10.496  -9.356
  542   1HZ   LYS  65          1HZ       LYS  65  62.721 -13.380  -9.842
  543   2HZ   LYS  65          2HZ       LYS  65  63.447 -12.354 -10.981
  544   3HZ   LYS  65          3HZ       LYS  65  64.215 -12.649  -9.494
  545    H    HIS  66           H        HIS  66  62.579 -10.871  -2.918
  546    HA   HIS  66           HA       HIS  66  60.401 -11.801  -1.271
  547   1HB   HIS  66          1HB       HIS  66  62.755 -12.671  -1.310
  548   2HB   HIS  66          2HB       HIS  66  63.292 -11.161  -0.578
  549    HD1  HIS  66           HD1      HIS  66  63.143 -10.985   1.925
  550    HD2  HIS  66           HD2      HIS  66  60.899 -14.170   0.445
  551    HE1  HIS  66           HE1      HIS  66  62.310 -12.272   3.942
  552    H    LEU  67           H        LEU  67  62.462  -8.919  -1.226
  553    HA   LEU  67           HA       LEU  67  61.517  -7.775   1.232
  554   1HB   LEU  67          1HB       LEU  67  62.768  -6.671  -1.298
  555   2HB   LEU  67          2HB       LEU  67  62.492  -5.681   0.133
  556    HG   LEU  67           HG       LEU  67  63.996  -8.293   0.296
  557   1HD1  LEU  67          1HD1      LEU  67  65.024  -6.666  -1.388
  558   2HD1  LEU  67          2HD1      LEU  67  65.280  -5.574  -0.029
  559   3HD1  LEU  67          3HD1      LEU  67  66.065  -7.153  -0.053
  560   1HD2  LEU  67          1HD2      LEU  67  63.042  -6.577   2.225
  561   2HD2  LEU  67          2HD2      LEU  67  64.376  -7.710   2.437
  562   3HD2  LEU  67          3HD2      LEU  67  64.708  -6.030   2.023
  563    H    ASP  68           H        ASP  68  60.432  -7.425  -2.147
  564    HA   ASP  68           HA       ASP  68  58.589  -5.288  -1.771
  565   1HB   ASP  68          1HB       ASP  68  58.736  -7.610  -3.702
  566   2HB   ASP  68          2HB       ASP  68  57.560  -6.308  -3.870
  567    H    LYS  69           H        LYS  69  58.069  -8.811  -1.495
  568    HA   LYS  69           HA       LYS  69  56.192 -10.048  -0.765
  569   1HB   LYS  69          1HB       LYS  69  56.778  -7.841   1.142
  570   2HB   LYS  69          2HB       LYS  69  55.264  -8.710   1.391
  571   1HG   LYS  69          1HG       LYS  69  56.394 -10.814   1.597
  572   2HG   LYS  69          2HG       LYS  69  57.912 -10.127   1.025
  573   1HD   LYS  69          1HD       LYS  69  58.045 -10.328   3.435
  574   2HD   LYS  69          2HD       LYS  69  57.906  -8.615   3.034
  575   1HE   LYS  69          1HE       LYS  69  55.442  -8.751   3.444
  576   2HE   LYS  69          2HE       LYS  69  55.656 -10.434   3.963
  577   1HZ   LYS  69          1HZ       LYS  69  57.348  -9.626   5.557
  578   2HZ   LYS  69          2HZ       LYS  69  56.944  -8.028   5.142
  579   3HZ   LYS  69          3HZ       LYS  69  55.794  -9.033   5.886
  580    H    LYS  70           H        LYS  70  54.636  -7.062   0.322
  581    HA   LYS  70           HA       LYS  70  52.252  -7.645  -1.276
  582   1HB   LYS  70          1HB       LYS  70  53.109  -5.423   0.602
  583   2HB   LYS  70          2HB       LYS  70  51.503  -5.513  -0.116
  584   1HG   LYS  70          1HG       LYS  70  51.174  -7.740   0.896
  585   2HG   LYS  70          2HG       LYS  70  52.779  -7.644   1.621
  586   1HD   LYS  70          1HD       LYS  70  50.660  -5.550   2.131
  587   2HD   LYS  70          2HD       LYS  70  50.822  -6.990   3.137
  588   1HE   LYS  70          1HE       LYS  70  53.216  -5.241   2.584
  589   2HE   LYS  70          2HE       LYS  70  52.087  -4.855   3.898
  590   1HZ   LYS  70          1HZ       LYS  70  52.305  -7.210   4.619
  591   2HZ   LYS  70          2HZ       LYS  70  53.558  -7.402   3.486
  592   3HZ   LYS  70          3HZ       LYS  70  53.740  -6.314   4.774
  593    H    THR  71           H        THR  71  51.730  -6.674  -3.232
  594    HA   THR  71           HA       THR  71  53.110  -4.184  -4.059
  595    HB   THR  71           HB       THR  71  53.292  -6.819  -5.560
  596    HG1  THR  71           HG1      THR  71  55.140  -7.011  -4.603
  597   1HG2  THR  71          1HG2      THR  71  54.337  -4.047  -6.198
  598   2HG2  THR  71          2HG2      THR  71  54.833  -5.510  -7.048
  599   3HG2  THR  71          3HG2      THR  71  53.156  -4.969  -7.127
  600    H    GLN  72           H        GLN  72  51.375  -6.692  -5.916
  601    HA   GLN  72           HA       GLN  72  49.560  -4.640  -7.011
  602   1HB   GLN  72          1HB       GLN  72  50.043  -7.597  -7.478
  603   2HB   GLN  72          2HB       GLN  72  48.838  -6.667  -8.374
  604   1HG   GLN  72          1HG       GLN  72  50.540  -5.172  -9.231
  605   2HG   GLN  72          2HG       GLN  72  51.768  -5.916  -8.209
  606   1HE2  GLN  72          1HE2      GLN  72  51.968  -5.799 -11.096
  607   2HE2  GLN  72          2HE2      GLN  72  51.917  -7.391 -11.682
  608    H    THR  73           H        THR  73  47.362  -4.500  -6.531
  609    HA   THR  73           HA       THR  73  46.406  -5.989  -4.158
  610    HB   THR  73           HB       THR  73  44.631  -4.298  -4.205
  611    HG1  THR  73           HG1      THR  73  45.830  -3.242  -6.529
  612   1HG2  THR  73          1HG2      THR  73  47.470  -3.369  -4.566
  613   2HG2  THR  73          2HG2      THR  73  46.175  -2.199  -4.312
  614   3HG2  THR  73          3HG2      THR  73  46.501  -3.433  -3.095
  615    HA   PRO  74           HA       PRO  74  44.202  -8.607  -7.115
  616   1HB   PRO  74          1HB       PRO  74  43.361 -10.494  -5.333
  617   2HB   PRO  74          2HB       PRO  74  45.009 -10.456  -5.990
  618   1HG   PRO  74          1HG       PRO  74  44.013  -9.610  -3.333
  619   2HG   PRO  74          2HG       PRO  74  45.568 -10.320  -3.786
  620   1HD   PRO  74          1HD       PRO  74  45.130  -7.634  -3.265
  621   2HD   PRO  74          2HD       PRO  74  46.507  -8.293  -4.174
  622    H    LYS  75           H        LYS  75  42.761  -6.447  -6.796
  623    HA   LYS  75           HA       LYS  75  40.399  -6.706  -5.104
  624   1HB   LYS  75          1HB       LYS  75  41.048  -4.942  -7.496
  625   2HB   LYS  75          2HB       LYS  75  39.719  -4.672  -6.368
  626   1HG   LYS  75          1HG       LYS  75  41.329  -4.453  -4.514
  627   2HG   LYS  75          2HG       LYS  75  42.661  -4.734  -5.635
  628   1HD   LYS  75          1HD       LYS  75  42.026  -2.715  -6.906
  629   2HD   LYS  75          2HD       LYS  75  40.692  -2.429  -5.786
  630   1HE   LYS  75          1HE       LYS  75  42.087  -1.678  -4.112
  631   2HE   LYS  75          2HE       LYS  75  43.399  -2.777  -4.577
  632   1HZ   LYS  75          1HZ       LYS  75  42.509  -0.444  -6.187
  633   2HZ   LYS  75          2HZ       LYS  75  43.856  -0.433  -5.157
  634   3HZ   LYS  75          3HZ       LYS  75  43.835  -1.455  -6.514
  635    H    LEU  76           H        LEU  76  38.255  -7.233  -5.827
  636    HA   LEU  76           HA       LEU  76  38.037  -8.393  -8.576
  637   1HB   LEU  76          1HB       LEU  76  38.478 -10.169  -6.916
  638   2HB   LEU  76          2HB       LEU  76  37.113  -9.611  -5.950
  639    HG   LEU  76           HG       LEU  76  35.623 -10.049  -7.938
  640   1HD1  LEU  76          1HD1      LEU  76  37.539  -9.975  -9.602
  641   2HD1  LEU  76          2HD1      LEU  76  38.023 -11.561  -9.007
  642   3HD1  LEU  76          3HD1      LEU  76  36.457 -11.353  -9.788
  643   1HD2  LEU  76          1HD2      LEU  76  36.190 -11.692  -5.988
  644   2HD2  LEU  76          2HD2      LEU  76  35.369 -12.327  -7.414
  645   3HD2  LEU  76          3HD2      LEU  76  37.104 -12.571  -7.214