*HEADER    IMMUNOGLOBULIN BINDING PROTEIN          02-MAY-99   3GB1              
*TITLE     STRUCTURES OF B1 DOMAIN OF STREPTOCOCCAL PROTEIN G                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: B1 DOMAIN OF STREPTOCOCCAL PROTEIN G;                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: B1 DOMAIN;                                                 
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GROUP G STREPTOCOCCUS;                          
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI                                  
*EXPDTA    NMR 32 STRUCTURES                                                     
*AUTHOR    G.M.CLORE                                                             
*REVDAT   1   23-JUN-99 3GB1    0                                                

A. NOE RESTRAINTS

assign (resid 1 and name HA)(resid 2 and name HN) 2.5 0.7 0.4
assign (resid 2 and name HA)(resid 3 and name HN) 2.5 0.7 0.4
assign (resid 3 and name HA)(resid 4 and name HN) 2.5 0.7 0.4
assign (resid 4 and name HA)(resid 5 and name HN) 2.5 0.7 0.4
assign (resid 5 and name HA)(resid 6 and name HN) 2.5 0.7 0.4
assign (resid 6 and name HA)(resid 7 and name HN) 2.5 0.7 0.4
assign (resid 7 and name HA)(resid 8 and name HN) 2.5 0.7 0.4
assign (resid 8 and name HA)(resid 9 and name HN) 2.5 0.7 0.4
assign (resid 9 and name HA#)(resid 10 and name HN) 2.5 1.7 0.4
assign (resid 10 and name HA)(resid 11 and name HN) 4.0 2.2 1.0
assign (resid 11 and name HA)(resid 12 and name HN) 3.0 1.2 0.5
assign (resid 12 and name HA)(resid 13 and name HN) 2.5 0.7 0.4
assign (resid 13 and name HA)(resid 14 and name HN) 2.5 0.7 0.4
assign (resid 14 and name HA#)(resid 15 and name HN) 2.5 0.7 0.4
assign (resid 15 and name HA)(resid 16 and name HN) 2.5 0.7 0.4
assign (resid 16 and name HA)(resid 17 and name HN) 3.0 1.2 0.5
assign (resid 17 and name HA)(resid 18 and name HN) 2.5 0.7 0.4
assign (resid 18 and name HA)(resid 19 and name HN) 2.5 0.7 0.4
assign (resid 19 and name HA)(resid 20 and name HN) 2.5 0.7 0.4
assign (resid 20 and name HA)(resid 21 and name HN) 2.5 0.7 0.4
assign (resid 21 and name HN)(resid 22 and name HN) 4.0 2.2 1.4
assign (resid 22 and name HA)(resid 23 and name HN) 2.5 0.7 0.4
assign (resid 23 and name HA)(resid 24 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HA)(resid 25 and name HN) 4.0 2.2 1.0
assign (resid 25 and name HA)(resid 26 and name HN) 4.0 2.2 1.0
assign (resid 26 and name HA)(resid 27 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HA)(resid 28 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HA)(resid 29 and name HN) 4.0 2.2 1.0
assign (resid 32 and name HA)(resid 33 and name HN) 4.0 2.2 1.0
assign (resid 33 and name HA)(resid 34 and name HN) 3.0 1.2 0.5
assign (resid 34 and name HA)(resid 35 and name HN) 4.0 2.2 1.0
assign (resid 35 and name HA)(resid 36 and name HN) 4.0 2.2 1.0
assign (resid 36 and name HA)(resid 37 and name HN) 4.0 2.2 1.0
assign (resid 37 and name HA)(resid 38 and name HN) 3.0 1.2 0.5
assign (resid 38 and name HA#)(resid 39 and name HN) 3.0 1.2 0.5
assign (resid 39 and name HA)(resid 40 and name HN) 3.0 1.2 0.5
assign (resid 40 and name HA)(resid 41 and name HN) 3.0 1.2 0.5
assign (resid 41 and name HA#)(resid 42 and name HN) 2.5 0.7 0.4
assign (resid 42 and name HA)(resid 43 and name HN) 2.5 0.7 0.4
assign (resid 43 and name HA)(resid 44 and name HN) 2.5 0.7 0.4
assign (resid 44 and name HA)(resid 45 and name HN) 2.5 0.7 0.4
assign (resid 45 and name HA)(resid 46 and name HN) 2.5 0.7 0.4
assign (resid 46 and name HA)(resid 47 and name HN) 2.5 0.7 0.4
assign (resid 47 and name HA)(resid 48 and name HN) 4.0 2.2 2.0
assign (resid 48 and name HA)(resid 49 and name HN) 4.0 2.2 1.0
assign (resid 49 and name HA)(resid 50 and name HN) 3.0 1.2 0.5
assign (resid 50 and name HA)(resid 51 and name HN) 3.0 1.2 0.5
assign (resid 51 and name HA)(resid 52 and name HN) 2.5 0.7 0.4
assign (resid 52 and name HA)(resid 53 and name HN) 2.5 0.7 0.4
assign (resid 53 and name HA)(resid 54 and name HN) 2.5 0.7 0.4
assign (resid 54 and name HA)(resid 55 and name HN) 2.5 0.7 0.4
assign (resid 55 and name HA)(resid 56 and name HN) 2.5 0.7 0.4
assign (resid 2 and name HN)(resid 3 and name HN) 4.0 2.2 1.0
assign (resid 6 and name HN)(resid 7 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HN)(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 10 and name HN)(resid 11 and name HN) 2.5 0.7 0.4
assign (resid 11 and name HN)(resid 12 and name HN) 2.5 0.7 0.4
assign (resid 12 and name HN)(resid 13 and name HN) 4.0 2.2 1.0
assign (resid 15 and name HN)(resid 16 and name HN) 4.0 2.2 1.0
assign (resid 16 and name HN)(resid 17 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HN)(resid 19 and name HN) 4.0 2.2 1.0
assign (resid 21 and name HN)(resid 22 and name HN) 2.5 0.7 0.4
assign (resid 22 and name HN)(resid 23 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HN)(resid 24 and name HN) 3.0 1.2 0.5
assign (resid 24 and name HN)(resid 25 and name HN) 2.5 0.7 0.4
assign (resid 25 and name HN)(resid 26 and name HN) 2.5 0.7 0.4
assign (resid 26 and name HN)(resid 27 and name HN) 2.5 0.7 0.4
assign (resid 27 and name HN)(resid 28 and name HN) 2.5 0.7 0.4
assign (resid 28 and name HN)(resid 29 and name HN) 2.5 0.7 0.4
assign (resid 29 and name HN)(resid 30 and name HN) 2.5 0.7 0.4
assign (resid 30 and name HN)(resid 31 and name HN) 2.5 0.7 0.4
assign (resid 31 and name HN)(resid 32 and name HN) 2.5 0.7 0.4
assign (resid 32 and name HN)(resid 33 and name HN) 2.5 0.7 0.4
assign (resid 33 and name HN)(resid 34 and name HN) 2.5 0.7 0.4
assign (resid 34 and name HN)(resid 35 and name HN) 2.5 0.7 0.4
assign (resid 35 and name HN)(resid 36 and name HN) 2.5 0.7 0.4
assign (resid 36 and name HN)(resid 37 and name HN) 2.5 0.7 0.4
assign (resid 37 and name HN)(resid 38 and name HN) 2.5 0.7 0.4
assign (resid 38 and name HN)(resid 39 and name HN) 2.5 0.7 0.4
assign (resid 42 and name HN)(resid 43 and name HN) 4.0 2.2 1.0
assign (resid 44 and name HN)(resid 45 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 47 and name HN)(resid 48 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 49 and name HN)(resid 50 and name HN) 2.5 0.7 0.2
assign (resid 50 and name HN)(resid 51 and name HN) 2.5 0.7 0.4
assign (resid 51 and name HN)(resid 52 and name HN) 4.0 2.2 1.0
assign (resid 55 and name HN)(resid 56 and name HN) 4.0 2.2 1.0
assign (resid 2 and name HA)(resid 3 and name HB#) 4.0 2.2 1.0
assign (resid 4 and name HA)(resid 5 and name HB#) 4.0 2.2 2.0
assign (resid 30 and name HA)(resid 29 and name HB) 4.0 2.2 1.0
assign (resid 51 and name HA)(resid 52 and name HB#) 4.0 2.2 1.0
assign (resid 52 and name HA)(resid 53 and name HB) 4.0 2.2 1.0
assign (resid 49 and name HA)(resid 48 and name HB#) 4.0 2.2 1.0
assign (resid 50 and name HN)(resid 51 and name HN) 4.0 2.2 1.0
assign (resid 6 and name HB)(resid 7 and name HN) 4.0 2.2 1.0
assign (resid 2 and name HG2#)(resid 3 and name HN) 2.5 0.7 0.9
assign (resid 11 and name HG2#)(resid 12 and name HN) 4.0 2.2 1.5
assign (resid 11 and name HG2#)(resid 10 and name HB#) 4.0 2.2 1.5
assign (resid 16 and name HG2#)(resid 17 and name HA) 4.0 2.2 2.5
assign (resid 16 and name HG2#)(resid 17 and name HN) 3.0 1.2 0.9
assign (resid 16 and name HG2#)(resid 15 and name HA) 4.0 2.2 1.5
assign (resid 16 and name HG2#)(resid 15 and name HA) 4.0 2.2 2.5
assign (resid 18 and name HG2#)(resid 17 and name HA) 4.0 2.2 2.5
assign (resid 18 and name HG2#)(resid 19 and name HN) 3.0 1.2 0.9
assign (resid 18 and name HG2#)(resid 19 and name HA) 4.0 2.2 2.5
assign (resid 25 and name HG2#)(resid 26 and name HN) 4.0 2.2 1.5
assign (resid 49 and name HG2#)(resid 50 and name HN) 4.0 2.2 1.5
assign (resid 49 and name HG2#)(resid 48 and name HB#) 3.0 1.2 0.8
assign (resid 49 and name HG2#)(resid 48 and name HN) 4.0 2.2 1.5
assign (resid 51 and name HG2#)(resid 52 and name HN) 2.5 0.7 0.9
assign (resid 53 and name HG2#)(resid 54 and name HN) 2.5 0.7 0.9
assign (resid 53 and name HA)(resid 54 and name HB) 4.0 2.2 1.0
assign (resid 53 and name HA)(resid 54 and name HG1#) 4.0 2.2 1.5
assign (resid 55 and name HG2#)(resid 56 and name HN) 3.0 1.2 0.9
assign (resid 54 and name HG1#)(resid 55 and name HN) 3.0 1.2 1.0
assign (resid 54 and name HG2#)(resid 55 and name HN) 2.5 0.7 0.9
assign (resid 39 and name HG2#)(resid 38 and name HN) 4.0 2.2 1.5
assign (resid 39 and name HG1#)(resid 40 and name HA) 4.0 2.2 1.5
assign (resid 29 and name HG2#)(resid 28 and name HA) 4.0 2.2 1.5
assign (resid 29 and name HG1#)(resid 30 and name HA) 4.0 2.2 1.5
assign (resid 21 and name HG2#)(resid 22 and name HN) 3.0 1.2 0.9
assign (resid 37 and name HD2#)(resid 36 and name HB#) 4.0 2.2 1.0
assign (resid 30 and name HD#)(resid 29 and name HG1#) 4.0 3.7 2.5
assign (resid 30 and name HE#)(resid 29 and name HG1#) 4.0 3.7 3.5
assign (resid 33 and name HD#)(resid 34 and name HA) 3.0 1.2 0.3
assign (resid 33 and name HE#)(resid 34 and name HN) 4.0 2.2 2.0
assign (resid 33 and name HD#)(resid 34 and name HB#) 4.0 2.2 1.5
assign (resid 43 and name HD1)(resid 42 and name HA) 4.0 2.2 1.0
assign (resid 43 and name HD1)(resid 42 and name HB#) 4.0 2.2 1.0
assign (resid 52 and name HD#)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 52 and name HD#)(resid 51 and name HG2#) 4.0 2.2 1.5
assign (resid 52 and name HD#)(resid 51 and name HA) 4.0 2.2 1.0
assign (resid 7 and name HD2#)(resid 8 and name HN) 4.0 2.2 1.5
assign (resid 7 and name HD*)(resid 8 and name HA) 4.0 2.2 2.5
assign (resid 12 and name HD1#)(resid 13 and name HN) 3.0 1.2 0.8
assign (resid 12 and name HD2#)(resid 13 and name HN) 4.0 2.2 2.5


assign (resid 13 and name HA)(resid 9 and name HN) 3.0 1.2 0.5
assign (resid 51 and name HB)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 39 and name HG1#)(resid 34 and name HB#) 4.0 2.2 1.5
assign (resid 39 and name HG2#)(resid 34 and name HB#) 4.0 2.2 2.5
assign (resid 25 and name HB)(resid 28 and name HD#) 4.0 2.2 2.0
assign (resid 25 and name HB)(resid 28 and name HE#) 4.0 2.2 2.0
assign (resid 43 and name HE1)(resid 40 and name HA) 4.0 2.2 1.0
assign (resid 34 and name HA)(resid 39 and name HB) 4.0 2.2 1.0
assign (resid 9 and name HA#)(resid 11 and name HN) 4.0 2.2 2.0
assign (resid 20 and name HA)(resid 22 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HA)(resid 30 and name HN) 4.0 2.2 1.0
assign (resid 35 and name HA)(resid 37 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HA)(resid 48 and name HN) 4.0 2.2 1.0
assign (resid 48 and name HA)(resid 50 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HA)(resid 26 and name HN) 3.0 1.2 0.5
assign (resid 24 and name HA)(resid 27 and name HN) 3.0 1.2 0.5
assign (resid 26 and name HA)(resid 29 and name HN) 3.0 1.2 0.5
assign (resid 28 and name HA)(resid 31 and name HN) 4.0 2.2 1.0
assign (resid 30 and name HA)(resid 33 and name HN) 4.0 2.2 1.0
assign (resid 31 and name HA)(resid 34 and name HN) 3.0 1.2 0.5
assign (resid 32 and name HA)(resid 35 and name HN) 4.0 2.2 1.0
assign (resid 33 and name HA)(resid 36 and name HN) 3.0 1.2 0.5
assign (resid 34 and name HA)(resid 37 and name HN) 4.0 2.2 1.0
assign (resid 35 and name HA)(resid 38 and name HN) 3.0 1.2 0.5
assign (resid 10 and name HN)(resid 12 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HN)(resid 26 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HN)(resid 29 and name HN) 4.0 2.2 1.0
assign (resid 30 and name HN)(resid 28 and name HN) 4.0 2.2 1.0
assign (resid 31 and name HN)(resid 29 and name HN) 4.0 2.2 1.0
assign (resid 31 and name HN)(resid 33 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HN)(resid 32 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HN)(resid 36 and name HN) 4.0 2.2 1.0
assign (resid 36 and name HN)(resid 38 and name HN) 4.0 2.2 1.0
assign (resid 39 and name HN)(resid 37 and name HN) 4.0 2.2 1.0
assign (resid 47 and name HN)(resid 49 and name HN) 4.0 2.2 1.0
assign (resid 48 and name HN)(resid 50 and name HN) 4.0 2.2 1.0
assign (resid 49 and name HN)(resid 51 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HN)(resid 12 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HN)(resid 30 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HN)(resid 51 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HA)(resid 27 and name HN) 4.0 2.2 1.0
assign (resid 32 and name HA)(resid 36 and name HN) 4.0 2.2 1.0
assign (resid 35 and name HA)(resid 39 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HA)(resid 39 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HA)(resid 51 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HA)(resid 26 and name HB#) 3.0 1.2 0.8
assign (resid 24 and name HA)(resid 27 and name HB#) 3.0 1.2 0.3
assign (resid 26 and name HA)(resid 29 and name HB) 3.0 1.2 0.3
assign (resid 28 and name HA)(resid 31 and name HB#) 3.0 1.2 0.3
assign (resid 29 and name HA)(resid 32 and name HB#) 3.0 1.2 0.3
assign (resid 30 and name HA)(resid 33 and name HB#) 3.0 1.2 0.3
assign (resid 31 and name HA)(resid 34 and name HB#) 3.0 1.2 0.3
assign (resid 32 and name HA)(resid 35 and name HB#) 3.0 1.2 0.3
assign (resid 33 and name HA)(resid 36 and name HB#) 3.0 1.2 0.3
assign (resid 34 and name HA)(resid 37 and name HB#) 3.0 1.2 0.3
assign (resid 8 and name HA)(resid 13 and name HA) 4.0 2.2 1.0
assign (resid 51 and name HB)(resid 46 and name HB#) 3.0 1.2 0.3
assign (resid 49 and name HN)(resid 46 and name HB#) 4.0 2.2 1.0
assign (resid 50 and name HN)(resid 48 and name HB#) 4.0 3.7 2.5
assign (resid 34 and name HB#)(resid 39 and name HN) 4.0 2.2 1.0
assign (resid 37 and name HB#)(resid 39 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HB#)(resid 26 and name HB#) 4.0 2.2 2.0
assign (resid 22 and name HB#)(resid 24 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HB#)(resid 22 and name HN) 3.0 2.7 2.0
assign (resid 18 and name HG2#)(resid 20 and name HN) 4.0 2.2 1.5
assign (resid 25 and name HG2#)(resid 22 and name HN) 4.0 2.2 1.5
assign (resid 25 and name HG2#)(resid 21 and name HN) 4.0 2.2 1.5
assign (resid 49 and name HG2#)(resid 46 and name HB#) 4.0 2.2 2.5
assign (resid 51 and name HG2#)(resid 46 and name HB#) 4.0 2.2 1.5
assign (resid 53 and name HG2#)(resid 55 and name HN) 4.0 2.2 1.5
assign (resid 54 and name HG2#)(resid 56 and name HG#) 4.0 2.2 2.5
assign (resid 54 and name HG1#)(resid 56 and name HG#) 4.0 2.2 1.5
assign (resid 39 and name HG1#)(resid 34 and name HA) 4.0 2.2 1.5
assign (resid 29 and name HG2#)(resid 26 and name HA) 3.0 1.2 0.9
assign (resid 29 and name HG1#)(resid 26 and name HA) 3.0 1.2 0.9
assign (resid 29 and name HG1#)(resid 33 and name HB#) 4.0 2.2 2.5
assign (resid 6 and name HG2#)(resid 8 and name HN) 4.0 2.2 1.5
assign (resid 6 and name HG2#)(resid 8 and name HB#) 4.0 2.2 1.5
assign (resid 37 and name HD2#)(resid 33 and name HA) 4.0 2.2 1.0
assign (resid 37 and name HD2#)(resid 34 and name HA) 4.0 2.2 2.0
assign (resid 8 and name HD2#)(resid 6 and name HG2#) 4.0 2.2 1.5
assign (resid 30 and name HD#)(resid 27 and name HA) 4.0 2.2 1.0
assign (resid 33 and name HD#)(resid 37 and name HD2#) 4.0 3.2 1.0
assign (resid 45 and name HE#)(resid 47 and name HA) 3.0 1.2 0.3
assign (resid 45 and name HE#)(resid 50 and name HA) 4.0 2.2 1.0
assign (resid 45 and name HE#)(resid 50 and name HN) 4.0 2.2 2.0
assign (resid 45 and name HE#)(resid 47 and name HB#) 3.0 1.2 0.3
assign (resid 43 and name HE1)(resid 40 and name HA) 4.0 2.2 1.0
assign (resid 43 and name HE1)(resid 41 and name HN) 4.0 2.2 1.0
assign (resid 43 and name HD1)(resid 41 and name HN) 4.0 2.2 2.0
assign (resid 5 and name HG)(resid 7 and name HA) 4.0 2.2 1.0
assign (resid 5 and name HD1#)(resid 7 and name HA) 4.0 2.2 1.5
assign (resid 5 and name HD1#)(resid 7 and name HG) 4.0 2.2 1.5
assign (resid 5 and name HD2#)(resid 7 and name HG) 4.0 2.2 1.5
assign (resid 5 and name HD2#)(resid 7 and name HD1#) 3.0 1.2 1.3
assign (resid 5 and name HD2#)(resid 7 and name HD2#) 3.0 1.2 1.3
assign (resid 7 and name HD*)(resid 5 and name HB#) 4.0 2.2 2.5
assign (resid 13 and name HG#)(resid 8 and name HA) 2.5 0.7 0.2
assign (resid 13 and name HD#)(resid 8 and name HA) 4.0 2.2 1.0
assign (resid 13 and name HB#)(resid 8 and name HA) 4.0 2.2 2.0
assign (resid 27 and name HG#)(resid 24 and name HA) 3.0 1.2 0.3
assign (resid 9 and name N)(resid 12 and name O) 3.3 0.8 0.2
assign (resid 46 and name N)(resid 51 and name O) 3.3 0.8 0.2
assign (resid 50 and name N)(resid 46 and name O) 3.3 0.8 0.2
assign (resid 51 and name N)(resid 46 and name O) 3.3 0.8 0.2
assign (resid 22 and name O)(resid 26 and name N) 3.3 0.8 0.2
assign (resid 23 and name O)(resid 27 and name N) 3.3 0.8 0.2
assign (resid 25 and name O)(resid 29 and name N) 3.3 0.8 0.2
assign (resid 26 and name O)(resid 30 and name N) 3.3 0.8 0.2
assign (resid 27 and name O)(resid 31 and name N) 3.3 0.8 0.2
assign (resid 28 and name O)(resid 32 and name N) 3.3 0.8 0.2
assign (resid 29 and name O)(resid 33 and name N) 3.3 0.8 0.2
assign (resid 30 and name O)(resid 34 and name N) 3.3 0.8 0.2
assign (resid 31 and name O)(resid 35 and name N) 3.3 0.8 0.2
assign (resid 34 and name O)(resid 39 and name N) 3.3 0.8 0.2
assign (resid 22 and name OD#)(resid 25 and name N) 3.3 0.8 0.2
assign (resid 9 and name HN)(resid 12 and name O) 2.3 0.8 0.2
assign (resid 46 and name HN)(resid 51 and name O) 2.3 0.8 0.2
assign (resid 50 and name HN)(resid 46 and name O) 2.3 0.8 0.2
assign (resid 51 and name HN)(resid 46 and name O) 2.3 0.8 0.2
assign (resid 22 and name O)(resid 26 and name HN) 2.3 0.8 0.2
assign (resid 23 and name O)(resid 27 and name HN) 2.3 0.8 0.2
assign (resid 25 and name O)(resid 29 and name HN) 2.3 0.8 0.2
assign (resid 26 and name O)(resid 30 and name HN) 2.3 0.8 0.2
assign (resid 27 and name O)(resid 31 and name HN) 2.3 0.8 0.2
assign (resid 28 and name O)(resid 32 and name HN) 2.3 0.8 0.2
assign (resid 29 and name O)(resid 33 and name HN) 2.3 0.8 0.2
assign (resid 30 and name O)(resid 34 and name HN) 2.3 0.8 0.2
assign (resid 31 and name O)(resid 35 and name HN) 2.3 0.8 0.2
assign (resid 34 and name O)(resid 39 and name HN) 2.3 0.8 0.2
assign (resid 22 and name OD#)(resid 25 and name HN) 2.3 0.8 0.2
assign (resid 46 and name OD#)(resid 48 and name HN) 2.3 0.8 0.2
assign (resid 46 and name OD#)(resid 48 and name N) 3.3 0.8 0.2


assign (resid 2 and name HA)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 4 and name HA)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 5 and name HA)(resid 52 and name HN) 3.0 1.2 0.5
assign (resid 6 and name HA)(resid 16 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HA)(resid 14 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HA)(resid 7 and name HN) 4.0 2.2 1.0
assign (resid 15 and name HA)(resid 7 and name HN) 2.5 0.7 0.4
assign (resid 17 and name HA)(resid 5 and name HN) 3.0 1.2 0.5
assign (resid 43 and name HA)(resid 55 and name HN) 4.0 2.2 1.0
assign (resid 52 and name HA)(resid 46 and name HN) 3.0 1.2 0.5
assign (resid 53 and name HA)(resid 6 and name HN) 2.5 0.7 0.4
assign (resid 54 and name HA)(resid 44 and name HN) 3.0 1.2 0.5
assign (resid 56 and name HA)(resid 42 and name HN) 4.0 2.2 1.0
assign (resid 3 and name HN)(resid 18 and name HN) 3.0 1.2 0.5
assign (resid 6 and name HN)(resid 54 and name HN) 4.0 2.2 1.0
assign (resid 7 and name HN)(resid 14 and name HN) 3.0 1.2 0.5
assign (resid 8 and name HN)(resid 54 and name HN) 4.0 2.2 1.0
assign (resid 16 and name HN)(resid 5 and name HN) 3.0 1.2 0.5
assign (resid 42 and name HN)(resid 55 and name HN) 4.0 2.2 1.0
assign (resid 44 and name HN)(resid 53 and name HN) 3.0 1.2 0.5
assign (resid 52 and name HN)(resid 4 and name HN) 3.0 1.2 0.5
assign (resid 52 and name HN)(resid 6 and name HN) 4.0 2.2 1.0
assign (resid 4 and name HA)(resid 17 and name HA) 2.5 0.7 0.2
assign (resid 15 and name HA)(resid 6 and name HA) 2.5 0.7 0.2
assign (resid 19 and name HA)(resid 2 and name HA) 2.5 0.7 0.2
assign (resid 43 and name HA)(resid 54 and name HA) 2.5 0.7 0.2
assign (resid 51 and name HA)(resid 5 and name HA) 4.0 2.2 2.0
assign (resid 52 and name HA)(resid 45 and name HA) 2.5 0.7 0.2
assign (resid 53 and name HA)(resid 5 and name HA) 4.0 2.2 2.0
assign (resid 53 and name HA)(resid 7 and name HA) 4.0 2.2 1.0
assign (resid 56 and name HA)(resid 41 and name HA#) 2.5 1.7 0.2
assign (resid 2 and name HA)(resid 19 and name HB#) 4.0 2.2 1.0
assign (resid 3 and name HA)(resid 50 and name HB#) 4.0 2.2 1.0
assign (resid 4 and name HA)(resid 17 and name HB) 4.0 2.2 1.0
assign (resid 5 and name HA)(resid 52 and name HB#) 3.0 1.2 0.3
assign (resid 17 and name HA)(resid 2 and name HB) 4.0 2.2 3.0
assign (resid 17 and name HA)(resid 4 and name HB#) 4.0 2.2 2.0
assign (resid 26 and name HA)(resid 20 and name HB#) 3.0 1.2 0.3
assign (resid 40 and name HA)(resid 34 and name HB#) 4.0 2.2 1.0
assign (resid 55 and name HA)(resid 8 and name HB#) 2.5 0.7 0.2
assign (resid 54 and name HA)(resid 43 and name HB#) 4.0 2.2 1.0
assign (resid 43 and name HA)(resid 54 and name HB) 4.0 2.2 1.0
assign (resid 52 and name HA)(resid 3 and name HB#) 4.0 2.2 2.0
assign (resid 26 and name HB#)(resid 3 and name HB#) 3.0 1.2 0.3
assign (resid 26 and name HB#)(resid 20 and name HB#) 2.5 0.7 0.2
assign (resid 34 and name HB#)(resid 54 and name HB) 4.0 2.2 1.0
assign (resid 54 and name HB)(resid 8 and name HN) 4.0 2.2 2.0
assign (resid 55 and name HB)(resid 42 and name HB#) 3.0 1.2 0.3
assign (resid 17 and name HB)(resid 3 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HB)(resid 44 and name HN) 4.0 2.2 1.0
assign (resid 55 and name HB)(resid 42 and name HN) 4.0 2.2 1.0
assign (resid 3 and name HB#)(resid 18 and name HN) 4.0 2.2 2.0
assign (resid 5 and name HB#)(resid 16 and name HN) 3.0 1.2 0.5
assign (resid 5 and name HB#)(resid 15 and name HN) 4.0 2.2 3.0
assign (resid 15 and name HB#)(resid 7 and name HN) 4.0 3.2 2.0
assign (resid 54 and name HB)(resid 8 and name HN) 4.0 2.2 2.0
assign (resid 56 and name HB#)(resid 10 and name HN) 2.5 0.7 0.4
assign (resid 5 and name HD2#)(resid 16 and name HG2#) 3.0 1.2 1.3
assign (resid 5 and name HD2#)(resid 30 and name HA) 3.0 1.2 0.8
assign (resid 5 and name HD1#)(resid 30 and name HB#) 4.0 2.2 1.5
assign (resid 5 and name HD2#)(resid 30 and name HB#) 4.0 2.2 1.5
assign (resid 5 and name HD2#)(resid 30 and name HB#) 3.0 2.2 0.8
assign (resid 5 and name HD1#)(resid 30 and name HB#) 4.0 2.2 1.5
assign (resid 5 and name HD2#)(resid 33 and name HB#) 4.0 2.2 1.5
assign (resid 5 and name HD2#)(resid 34 and name HA) 4.0 2.2 1.5
assign (resid 5 and name HD2#)(resid 34 and name HN) 4.0 2.2 1.5
assign (resid 5 and name HD2#)(resid 34 and name HB#) 3.0 1.2 0.8
assign (resid 5 and name HD1#)(resid 34 and name HB#) 4.0 2.2 2.5
assign (resid 5 and name HD1#)(resid 52 and name HN) 4.0 2.2 1.5
assign (resid 5 and name HD1#)(resid 54 and name HN) 2.5 0.7 0.7
assign (resid 5 and name HD1#)(resid 15 and name HA) 4.0 2.2 1.5
assign (resid 5 and name HD1#)(resid 53 and name HA) 3.0 1.2 0.8
assign (resid 5 and name HD1#)(resid 54 and name HG1#) 4.0 2.2 2.0
assign (resid 5 and name HD1#)(resid 54 and name HG2#) 4.0 2.2 2.0
assign (resid 5 and name HD1#)(resid 54 and name HB) 4.0 2.2 1.5
assign (resid 5 and name HG)(resid 15 and name HA) 4.0 2.2 1.0
assign (resid 6 and name HG2#)(resid 14 and name HN) 4.0 2.2 1.5
assign (resid 6 and name HD1#)(resid 15 and name HB#) 4.0 2.2 1.5
assign (resid 7 and name HD1#)(resid 15 and name HA) 3.0 1.2 0.8
assign (resid 7 and name HD1#)(resid 16 and name HG2#) 3.0 1.2 1.3
assign (resid 7 and name HD#)(resid 34 and name HN) 4.0 2.2 1.5
assign (resid 7 and name HD1#)(resid 34 and name HA) 4.0 2.2 1.5
assign (resid 7 and name HD2#)(resid 34 and name HA) 4.0 2.2 1.5
assign (resid 7 and name HD*)(resid 15 and name HG#) 4.0 2.2 2.0
assign (resid 7 and name HD2#)(resid 34 and name HB#) 3.0 1.2 0.8
assign (resid 7 and name HD2#)(resid 54 and name HB) 4.0 2.2 1.5
assign (resid 7 and name HD2#)(resid 39 and name HB) 4.0 2.2 1.5
assign (resid 12 and name HD2#)(resid 37 and name HB#) 2.5 0.7 0.7
assign (resid 12 and name HD1#)(resid 37 and name HB#) 4.0 2.2 1.5
assign (resid 56 and name HG#)(resid 10 and name HN) 4.0 2.2 1.0
assign (resid 39 and name HG1#)(resid 9 and name HN) 4.0 1.2 1.5
assign (resid 39 and name HG2#)(resid 9 and name HN) 4.0 2.2 2.5
assign (resid 39 and name HG1#)(resid 8 and name HN) 4.0 2.2 2.5
assign (resid 39 and name HG1#)(resid 10 and name HN) 4.0 2.2 2.5
assign (resid 39 and name HG2#)(resid 10 and name HN) 4.0 2.2 1.5
assign (resid 39 and name HG2#)(resid 12 and name HN) 4.0 2.2 1.5
assign (resid 39 and name HG1#)(resid 12 and name HN) 4.0 2.2 2.5
assign (resid 39 and name HG1#)(resid 54 and name HA) 4.0 2.2 1.5
assign (resid 39 and name HG1#)(resid 56 and name HA) 4.0 2.2 1.5
assign (resid 39 and name HG1#)(resid 56 and name HN) 4.0 2.2 1.5
assign (resid 39 and name HG1#)(resid 56 and name HG#) 3.0 1.2 1.0
assign (resid 39 and name HG1#)(resid 56 and name HB#) 4.0 2.2 2.5
assign (resid 39 and name HG1#)(resid 54 and name HG1#) 2.5 0.7 1.2
assign (resid 39 and name HG1#)(resid 54 and name HG2#) 2.5 0.7 1.2
assign (resid 39 and name HG1#)(resid 54 and name HB) 4.0 2.2 1.5
assign (resid 39 and name HG1#)(resid 7 and name HA) 4.0 2.2 1.5
assign (resid 54 and name HG1#)(resid 5 and name HB#) 4.0 2.2 1.5
assign (resid 54 and name HG1#)(resid 7 and name HD2#) 2.5 2.2 1.2
assign (resid 54 and name HG2#)(resid 7 and name HD2#) 4.0 2.2 3.0
assign (resid 54 and name HG1#)(resid 7 and name HG) 3.0 1.2 0.8
assign (resid 54 and name HG2#)(resid 7 and name HB#) 4.0 2.2 2.5
assign (resid 54 and name HG1#)(resid 8 and name HN) 2.5 0.7 0.7
assign (resid 54 and name HG1#)(resid 34 and name HB#) 3.0 1.2 0.8
assign (resid 54 and name HG2#)(resid 34 and name HB#) 4.0 2.2 2.5
assign (resid 54 and name HG1#)(resid 39 and name HB) 4.0 2.2 1.5
assign (resid 54 and name HG2#)(resid 40 and name HA) 4.0 2.2 1.5
assign (resid 54 and name HG2#)(resid 41 and name HN) 3.0 1.2 0.8
assign (resid 54 and name HG1#)(resid 41 and name HN) 4.0 2.2 1.5
assign (resid 54 and name HG2#)(resid 41 and name HA#) 4.0 2.2 1.5
assign (resid 54 and name HG2#)(resid 42 and name HN) 4.0 2.2 1.5
assign (resid 54 and name HG2#)(resid 43 and name HA) 3.0 1.2 0.9
assign (resid 2 and name HG2#)(resid 18 and name HN) 2.5 1.2 0.9
assign (resid 2 and name HG2#)(resid 17 and name HA) 4.0 2.2 2.5
assign (resid 2 and name HG2#)(resid 19 and name HG#) 4.0 2.2 1.5
assign (resid 16 and name HG2#)(resid 5 and name HN) 3.0 1.2 0.9
assign (resid 16 and name HG2#)(resid 5 and name HB#) 3.0 1.2 0.8
assign (resid 16 and name HG2#)(resid 33 and name HB#) 4.0 2.2 2.5
assign (resid 17 and name HG2#)(resid 4 and name HA) 3.0 1.2 0.8
assign (resid 17 and name HG2#)(resid 4 and name HN) 4.0 2.2 2.5
assign (resid 18 and name HG2#)(resid 3 and name HN) 3.0 1.2 0.9
assign (resid 18 and name HG2#)(resid 3 and name HB#) 4.0 2.2 1.5
assign (resid 18 and name HG2#)(resid 26 and name HA) 3.0 1.2 0.8
assign (resid 18 and name HG2#)(resid 29 and name HG1#) 3.0 1.2 1.3
assign (resid 18 and name HG2#)(resid 29 and name HG2#) 4.0 2.2 2.0
assign (resid 18 and name HG2#)(resid 29 and name HB) 3.0 1.2 0.8
assign (resid 51 and name HG2#)(resid 4 and name HB#) 3.0 1.2 0.8
assign (resid 51 and name HG2#)(resid 5 and name HA) 4.0 2.2 1.5
assign (resid 51 and name HG2#)(resid 6 and name HG1#) 4.0 2.2 2.0
assign (resid 53 and name HG2#)(resid 6 and name HB) 3.0 1.2 0.8
assign (resid 53 and name HG2#)(resid 7 and name HN) 4.0 2.2 1.5
assign (resid 53 and name HG2#)(resid 8 and name HB#) 4.0 2.2 1.5
assign (resid 55 and name HG2#)(resid 8 and name HN) 4.0 2.2 1.5
assign (resid 3 and name HD#)(resid 20 and name HB#) 3.0 1.2 0.8
assign (resid 3 and name HE#)(resid 20 and name HB#) 3.0 1.2 0.8
assign (resid 3 and name HE#)(resid 23 and name HB#) 4.0 2.2 2.5
assign (resid 3 and name HD#)(resid 26 and name HB#) 3.0 1.2 0.8
assign (resid 3 and name HD#)(resid 45 and name HE#) 3.0 1.2 0.3
assign (resid 3 and name HD#)(resid 50 and name HA) 3.0 1.2 0.3
assign (resid 3 and name HD#)(resid 50 and name HB#) 2.5 0.7 0.2
assign (resid 30 and name HZ)(resid 3 and name HB#) 4.0 2.2 1.0
assign (resid 30 and name HE#)(resid 3 and name HB#) 4.0 2.2 1.0
assign (resid 30 and name HZ)(resid 4 and name HA) 4.0 2.2 1.0
assign (resid 30 and name HE#)(resid 4 and name HA) 4.0 2.2 1.0
assign (resid 30 and name HD#)(resid 5 and name HB#) 3.0 1.2 0.3
assign (resid 30 and name HE#)(resid 5 and name HB#) 3.0 1.2 0.3
assign (resid 30 and name HZ)(resid 5 and name HB#) 4.0 2.2 1.0
assign (resid 30 and name HZ)(resid 5 and name HN) 4.0 2.2 1.0
assign (resid 30 and name HE#)(resid 5 and name HN) 4.0 2.2 1.0
assign (resid 30 and name HE#)(resid 16 and name HG2#) 3.0 1.2 0.8
assign (resid 30 and name HZ)(resid 16 and name HG2#) 4.0 2.2 2.5
assign (resid 30 and name HE#)(resid 16 and name HB) 4.0 2.2 2.0
assign (resid 30 and name HZ)(resid 17 and name HA) 3.0 1.2 0.3
assign (resid 30 and name HE#)(resid 17 and name HA) 4.0 2.2 1.0
assign (resid 30 and name HZ)(resid 17 and name HB) 4.0 2.2 2.0
assign (resid 30 and name HE#)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 30 and name HZ)(resid 18 and name HB) 4.0 2.2 1.0
assign (resid 30 and name HE#)(resid 18 and name HB) 3.0 1.2 0.3
assign (resid 30 and name HZ)(resid 18 and name HG2#) 3.0 1.2 0.8
assign (resid 33 and name HD#)(resid 16 and name HG2#) 4.0 2.2 1.5
assign (resid 33 and name HD#)(resid 5 and name HD2#) 3.0 1.2 0.8
assign (resid 33 and name HD#)(resid 7 and name HD1#) 3.0 1.2 0.8
assign (resid 33 and name HE#)(resid 7 and name HD1#) 3.0 1.2 0.8
assign (resid 33 and name HD#)(resid 7 and name HD2#) 3.0 1.2 0.8
assign (resid 33 and name HE#)(resid 7 and name HD2#) 3.0 1.2 0.8
assign (resid 43 and name HH2)(resid 5 and name HD1#) 3.0 1.2 0.8
assign (resid 43 and name HZ3)(resid 5 and name HD1#) 3.0 1.2 0.8
assign (resid 43 and name HH2)(resid 5 and name HD1#) 3.0 1.2 0.8
assign (resid 43 and name HZ3)(resid 5 and name HD1#) 3.0 1.2 0.8
assign (resid 43 and name HZ3)(resid 5 and name HB#) 4.0 2.2 1.0
assign (resid 43 and name HE3)(resid 5 and name HD1#) 4.0 2.2 1.5
assign (resid 43 and name HZ2)(resid 5 and name HD1#) 4.0 2.2 1.5
assign (resid 43 and name HH2)(resid 30 and name HN) 4.0 2.2 2.0
assign (resid 43 and name HH2)(resid 31 and name HN) 4.0 2.2 1.0
assign (resid 43 and name HH2)(resid 31 and name HA) 3.0 1.2 0.3
assign (resid 43 and name HZ2)(resid 31 and name HA) 3.0 1.2 0.3
assign (resid 43 and name HH2)(resid 31 and name HA) 3.0 1.2 0.3
assign (resid 43 and name HE3)(resid 31 and name HB#) 4.0 2.2 2.0
assign (resid 43 and name HH2)(resid 31 and name HB#) 4.0 2.2 2.0
assign (resid 43 and name HZ2)(resid 31 and name HB#) 4.0 2.2 2.0
assign (resid 43 and name HE1)(resid 31 and name HA) 4.0 2.2 2.0
assign (resid 43 and name HE1)(resid 31 and name HB#) 4.0 2.2 2.0
assign (resid 43 and name HE1)(resid 31 and name HG#) 4.0 2.2 2.0
assign (resid 43 and name HH2)(resid 34 and name HB#) 2.5 0.7 0.2
assign (resid 43 and name HZ2)(resid 34 and name HB#) 3.0 1.2 0.3
assign (resid 43 and name HZ3)(resid 34 and name HB#) 4.0 2.2 1.0
assign (resid 43 and name HZ3)(resid 52 and name HD#) 4.0 2.2 1.0
assign (resid 43 and name HE3)(resid 52 and name HD#) 3.0 1.2 0.3
assign (resid 43 and name HE3)(resid 52 and name HE#) 4.0 2.2 1.0
assign (resid 43 and name HE3)(resid 52 and name HA) 4.0 2.2 2.0
assign (resid 43 and name HE3)(resid 52 and name HB#) 4.0 2.2 1.0
assign (resid 43 and name HE3)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 43 and name HZ2)(resid 54 and name HB) 4.0 2.2 1.0
assign (resid 43 and name HE3)(resid 54 and name HB) 4.0 2.2 1.0
assign (resid 43 and name HE3)(resid 54 and name HA) 4.0 2.2 1.0
assign (resid 43 and name HE1)(resid 54 and name HG1#) 4.0 2.2 1.5
assign (resid 43 and name HE1)(resid 54 and name HG2#) 3.0 1.2 0.8
assign (resid 43 and name HZ2)(resid 54 and name HG2#) 3.0 1.2 0.8
assign (resid 43 and name HZ2)(resid 54 and name HG1#) 4.0 2.2 1.5
assign (resid 43 and name HE3)(resid 54 and name HG2#) 3.0 1.2 0.8
assign (resid 43 and name HE3)(resid 54 and name HG1#) 4.0 2.2 1.5
assign (resid 43 and name HH2)(resid 54 and name HG2#) 4.0 2.2 1.5
assign (resid 43 and name HH2)(resid 54 and name HG1#) 4.0 2.2 1.5
assign (resid 43 and name HZ3)(resid 54 and name HG2#) 4.0 2.2 1.5
assign (resid 43 and name HZ3)(resid 54 and name HG1#) 4.0 2.2 1.5
assign (resid 43 and name HE3)(resid 54 and name HG2#) 3.0 2.2 0.8
assign (resid 45 and name HE#)(resid 23 and name HB#) 4.0 2.2 1.5
assign (resid 45 and name HE#)(resid 26 and name HN) 4.0 2.2 3.0
assign (resid 45 and name HE#)(resid 51 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HE#)(resid 52 and name HD#) 4.0 2.2 1.0
assign (resid 45 and name HE#)(resid 52 and name HE#) 3.0 1.2 0.3
assign (resid 45 and name HE#)(resid 52 and name HZ) 4.0 2.2 1.0
assign (resid 45 and name HD#)(resid 52 and name HD#) 4.0 2.2 1.0
assign (resid 45 and name HD#)(resid 52 and name HE#) 3.0 1.2 0.3
assign (resid 45 and name HD#)(resid 52 and name HA) 3.0 1.2 0.3
assign (resid 52 and name HD#)(resid 5 and name HB#) 4.0 2.2 2.0
assign (resid 52 and name HD#)(resid 5 and name HD1#) 4.0 2.2 1.5
assign (resid 52 and name HE#)(resid 23 and name HB#) 4.0 2.2 1.5
assign (resid 52 and name HZ)(resid 23 and name HB#) 3.0 1.2 0.8
assign (resid 52 and name HZ)(resid 23 and name HA) 4.0 2.2 1.0
assign (resid 52 and name HD#)(resid 26 and name HB#) 4.0 2.2 1.5
assign (resid 52 and name HE#)(resid 26 and name HB#) 3.0 1.2 0.8
assign (resid 52 and name HZ)(resid 26 and name HB#) 4.0 3.7 2.5
assign (resid 52 and name HE#)(resid 27 and name HN) 4.0 2.2 1.0
assign (resid 52 and name HZ)(resid 27 and name HN) 3.0 1.2 0.5
assign (resid 52 and name HE#)(resid 27 and name HG#) 3.0 1.2 0.3
assign (resid 52 and name HZ)(resid 27 and name HG#) 3.0 1.2 0.3
assign (resid 52 and name HZ)(resid 27 and name HA) 4.0 2.2 2.0
assign (resid 52 and name HD#)(resid 30 and name HB#) 4.0 2.2 1.0
assign (resid 52 and name HD#)(resid 30 and name HZ) 4.0 2.2 2.0
assign (resid 52 and name HD#)(resid 44 and name HN) 4.0 2.2 1.0
assign (resid 52 and name HD#)(resid 45 and name HB#) 4.0 2.2 1.0
assign (resid 52 and name HE#)(resid 45 and name HB#) 3.0 1.2 0.3
assign (resid 52 and name HD#)(resid 45 and name HA) 4.0 2.2 1.0
assign (resid 6 and name HD#)(resid 53 and name HA) 4.0 2.2 1.5
assign (resid 6 and name HB)(resid 53 and name HA) 3.0 1.2 0.3
assign (resid 8 and name HD2#)(resid 55 and name HG2#) 3.0 1.2 1.0
assign (resid 8 and name HD2#)(resid 55 and name HN) 4.0 2.2 2.0
assign (resid 20 and name N)(resid 1 and name O) 3.3 0.8 0.2
assign (resid 3 and name N)(resid 18 and name O) 3.3 0.8 0.2
assign (resid 18 and name N)(resid 3 and name O) 3.3 0.8 0.2
assign (resid 5 and name N)(resid 16 and name O) 3.3 0.8 0.2
assign (resid 16 and name N)(resid 5 and name O) 3.3 0.8 0.2
assign (resid 7 and name N)(resid 14 and name O) 3.3 0.8 0.2
assign (resid 14 and name N)(resid 7 and name O) 3.3 0.8 0.2
assign (resid 4 and name N)(resid 50 and name O) 3.3 0.8 0.2
assign (resid 52 and name N)(resid 4 and name O) 3.3 0.8 0.2
assign (resid 6 and name N)(resid 52 and name O) 3.3 0.8 0.2
assign (resid 54 and name N)(resid 6 and name O) 3.3 0.8 0.2
assign (resid 8 and name N)(resid 54 and name O) 3.3 0.8 0.2
assign (resid 42 and name N)(resid 55 and name O) 3.3 0.8 0.2
assign (resid 55 and name N)(resid 42 and name O) 3.3 0.8 0.2
assign (resid 44 and name N)(resid 53 and name O) 3.3 0.8 0.2
assign (resid 53 and name N)(resid 44 and name O) 3.3 0.8 0.2
assign (resid 20 and name HN)(resid 1 and name O) 2.3 0.8 0.2
assign (resid 3 and name HN)(resid 18 and name O) 2.3 0.8 0.2
assign (resid 18 and name HN)(resid 3 and name O) 2.3 0.8 0.2
assign (resid 5 and name HN)(resid 16 and name O) 2.3 0.8 0.2
assign (resid 16 and name HN)(resid 5 and name O) 2.3 0.8 0.2
assign (resid 7 and name HN)(resid 14 and name O) 2.3 0.8 0.2
assign (resid 14 and name HN)(resid 7 and name O) 2.3 0.8 0.2
assign (resid 4 and name HN)(resid 50 and name O) 2.3 0.8 0.2
assign (resid 52 and name HN)(resid 4 and name O) 2.3 0.8 0.2
assign (resid 6 and name HN)(resid 52 and name O) 2.3 0.8 0.2
assign (resid 54 and name HN)(resid 6 and name O) 2.3 0.8 0.2
assign (resid 8 and name HN)(resid 54 and name O) 2.3 0.8 0.2
assign (resid 42 and name HN)(resid 55 and name O) 2.3 0.8 0.2
assign (resid 55 and name HN)(resid 42 and name O) 2.3 0.8 0.2
assign (resid 44 and name HN)(resid 53 and name O) 2.3 0.8 0.2
assign (resid 53 and name HN)(resid 44 and name O) 2.3 0.8 0.2


assign (resid 52 and name HD#)(resid 52 and name HA) 3.0 1.2 0.3
assign (resid 2 and name HN)(resid 2 and name HA) 3.0 1.2 0.5
assign (resid 3 and name HN)(resid 3 and name HA) 3.0 1.2 0.5
assign (resid 4 and name HN)(resid 4 and name HA) 4.0 2.2 1.0
assign (resid 5 and name HN)(resid 5 and name HA) 3.0 1.2 0.5
assign (resid 6 and name HN)(resid 6 and name HA) 3.0 1.2 0.5
assign (resid 7 and name HN)(resid 7 and name HA) 3.0 1.2 0.5
assign (resid 8 and name HN)(resid 8 and name HA) 3.0 1.2 0.5
assign (resid 10 and name HN)(resid 10 and name HA) 4.0 2.2 1.0
assign (resid 11 and name HN)(resid 11 and name HA) 4.0 2.2 1.0
assign (resid 12 and name HN)(resid 12 and name HA) 3.0 1.2 0.5
assign (resid 13 and name HN)(resid 13 and name HA) 3.0 1.2 0.5
assign (resid 15 and name HN)(resid 15 and name HA) 3.0 1.2 0.5
assign (resid 16 and name HN)(resid 16 and name HA) 3.0 1.2 0.5
assign (resid 17 and name HN)(resid 17 and name HA) 3.0 1.2 0.5
assign (resid 18 and name HN)(resid 18 and name HA) 3.0 1.2 0.5
assign (resid 19 and name HN)(resid 19 and name HA) 4.0 2.2 1.0
assign (resid 20 and name HN)(resid 20 and name HA) 3.0 1.2 0.5
assign (resid 21 and name HN)(resid 21 and name HA) 3.0 1.2 0.5
assign (resid 22 and name HN)(resid 22 and name HA) 3.0 1.2 0.5
assign (resid 23 and name HN)(resid 23 and name HA) 3.0 1.2 0.5
assign (resid 24 and name HN)(resid 24 and name HA) 3.0 1.2 0.5
assign (resid 25 and name HN)(resid 25 and name HA) 3.0 1.2 0.5
assign (resid 26 and name HN)(resid 26 and name HA) 3.0 1.2 0.5
assign (resid 27 and name HN)(resid 27 and name HA) 2.5 0.7 0.4
assign (resid 28 and name HN)(resid 28 and name HA) 3.0 1.2 0.5
assign (resid 29 and name HN)(resid 29 and name HA) 3.0 1.2 0.5
assign (resid 30 and name HN)(resid 30 and name HA) 3.0 1.2 0.5
assign (resid 31 and name HN)(resid 31 and name HA) 3.0 1.2 0.5
assign (resid 32 and name HN)(resid 32 and name HA) 3.0 1.2 0.5
assign (resid 33 and name HN)(resid 33 and name HA) 2.5 0.7 0.4
assign (resid 34 and name HN)(resid 34 and name HA) 2.5 0.7 0.4
assign (resid 35 and name HN)(resid 35 and name HA) 3.0 1.2 0.5
assign (resid 36 and name HN)(resid 36 and name HA) 2.5 0.7 0.4
assign (resid 37 and name HN)(resid 37 and name HA) 3.0 1.2 0.5
assign (resid 39 and name HN)(resid 39 and name HA) 3.0 1.2 0.5
assign (resid 40 and name HN)(resid 40 and name HA) 3.0 1.2 0.5
assign (resid 42 and name HN)(resid 42 and name HA) 3.0 1.2 0.5
assign (resid 43 and name HN)(resid 43 and name HA) 3.0 1.2 0.5
assign (resid 44 and name HN)(resid 44 and name HA) 3.0 1.2 0.5
assign (resid 45 and name HN)(resid 45 and name HA) 4.0 2.2 1.0
assign (resid 46 and name HN)(resid 46 and name HA) 3.0 1.2 0.5
assign (resid 47 and name HN)(resid 47 and name HA) 3.0 1.2 0.5
assign (resid 48 and name HN)(resid 48 and name HA) 4.0 2.2 1.0
assign (resid 49 and name HN)(resid 49 and name HA) 4.0 2.2 1.0
assign (resid 50 and name HN)(resid 50 and name HA) 2.5 0.7 0.4
assign (resid 51 and name HN)(resid 51 and name HA) 3.0 1.2 0.5
assign (resid 52 and name HN)(resid 52 and name HA) 4.0 2.2 1.0
assign (resid 53 and name HN)(resid 53 and name HA) 3.0 1.2 0.5
assign (resid 54 and name HN)(resid 54 and name HA) 3.0 1.2 0.5
assign (resid 55 and name HN)(resid 55 and name HA) 3.0 1.2 0.5
assign (resid 56 and name HN)(resid 56 and name HA) 3.0 1.2 0.5
assign (resid 9 and name HA#)(resid 9 and name HN) 2.5 0.7 0.4
assign (resid 14 and name HA#)(resid 14 and name HN) 3.0 1.2 0.5
assign (resid 38 and name HA#)(resid 38 and name HN) 2.5 0.7 0.4
assign (resid 41 and name HA#)(resid 41 and name HN) 2.5 0.7 0.4
assign (resid 2 and name HN)(resid 2 and name HB) 2.5 0.7 0.4
assign (resid 3 and name HN)(resid 3 and name HB#) 3.0 1.2 0.5
assign (resid 4 and name HN)(resid 4 and name HB#) 2.5 0.7 0.4
assign (resid 5 and name HN)(resid 5 and name HB#) 2.5 0.7 0.4
assign (resid 6 and name HN)(resid 6 and name HB) 3.0 1.2 0.5
assign (resid 7 and name HN)(resid 7 and name HB#) 2.5 0.7 0.4
assign (resid 8 and name HN)(resid 8 and name HB#) 3.0 1.2 0.5
assign (resid 10 and name HN)(resid 10 and name HB#) 3.0 1.2 0.5
assign (resid 11 and name HN)(resid 11 and name HB) 4.0 2.2 1.0
assign (resid 12 and name HN)(resid 12 and name HB#) 3.0 1.2 0.5
assign (resid 13 and name HN)(resid 13 and name HB#) 2.5 0.7 0.4
assign (resid 15 and name HN)(resid 15 and name HB#) 3.0 1.2 0.5
assign (resid 16 and name HN)(resid 16 and name HB) 3.0 1.2 0.5
assign (resid 17 and name HN)(resid 17 and name HB) 4.0 2.2 1.0
assign (resid 18 and name HN)(resid 18 and name HB) 4.0 2.2 1.0
assign (resid 20 and name HN)(resid 20 and name HB#) 3.0 1.2 0.5
assign (resid 21 and name HN)(resid 21 and name HB) 4.0 2.2 1.0
assign (resid 22 and name HN)(resid 22 and name HB#) 3.0 1.2 0.5
assign (resid 23 and name HN)(resid 23 and name HB#) 3.0 1.2 0.5
assign (resid 24 and name HN)(resid 24 and name HB#) 3.0 1.2 0.5
assign (resid 25 and name HN)(resid 25 and name HB) 4.0 2.2 1.0
assign (resid 26 and name HN)(resid 26 and name HB#) 3.0 1.2 0.5
assign (resid 27 and name HN)(resid 27 and name HB#) 2.5 0.7 0.4
assign (resid 28 and name HN)(resid 28 and name HB#) 3.0 1.2 0.5
assign (resid 29 and name HN)(resid 29 and name HB#) 2.5 0.7 0.4
assign (resid 30 and name HN)(resid 30 and name HB#) 2.5 0.7 0.4
assign (resid 31 and name HN)(resid 31 and name HB#) 2.5 0.7 0.4
assign (resid 32 and name HN)(resid 32 and name HB#) 2.5 0.7 0.4
assign (resid 33 and name HN)(resid 33 and name HB#) 3.0 1.2 0.5
assign (resid 34 and name HN)(resid 34 and name HB#) 2.5 0.7 0.4
assign (resid 35 and name HN)(resid 35 and name HB#) 3.0 1.2 0.5
assign (resid 36 and name HN)(resid 36 and name HB#) 2.5 0.7 0.4
assign (resid 37 and name HN)(resid 37 and name HB#) 2.5 0.7 0.4
assign (resid 39 and name HN)(resid 39 and name HB) 2.5 0.7 0.4
assign (resid 40 and name HN)(resid 40 and name HB#) 3.0 1.2 0.5
assign (resid 42 and name HN)(resid 42 and name HB#) 2.5 0.7 0.4
assign (resid 43 and name HN)(resid 43 and name HB#) 2.5 0.7 0.4
assign (resid 44 and name HN)(resid 44 and name HB) 4.0 2.2 1.0
assign (resid 45 and name HN)(resid 45 and name HB#) 2.5 0.7 0.4
assign (resid 46 and name HN)(resid 46 and name HB#) 3.0 1.2 0.5
assign (resid 47 and name HN)(resid 47 and name HB#) 3.0 1.2 0.5
assign (resid 48 and name HN)(resid 48 and name HB#) 3.0 1.2 0.5
assign (resid 50 and name HN)(resid 50 and name HB#) 4.0 2.2 1.0
assign (resid 51 and name HN)(resid 51 and name HB) 2.5 0.7 0.4
assign (resid 52 and name HN)(resid 52 and name HB#) 2.5 0.7 0.4
assign (resid 53 and name HN)(resid 53 and name HB) 2.5 0.7 0.4
assign (resid 54 and name HN)(resid 54 and name HB) 3.0 1.2 0.5
assign (resid 55 and name HN)(resid 55 and name HB) 2.5 0.7 0.4
assign (resid 56 and name HN)(resid 56 and name HB#) 3.0 1.2 0.5
assign (resid 21 and name HN)(resid 21 and name HG*) 3.0 1.2 1.5
assign (resid 21 and name HA)(resid 21 and name HG*) 3.0 1.2 1.3
assign (resid 29 and name HA)(resid 29 and name HG2#) 2.5 0.7 0.7
assign (resid 29 and name HA)(resid 29 and name HG1#) 3.0 1.2 0.8
assign (resid 29 and name HN)(resid 29 and name HG2#) 2.5 0.7 0.9
assign (resid 29 and name HN)(resid 29 and name HG1#) 4.0 2.2 1.5
assign (resid 39 and name HA)(resid 39 and name HG1#) 2.5 0.7 0.9
assign (resid 39 and name HA)(resid 39 and name HG2#) 3.0 1.2 0.8
assign (resid 39 and name HN)(resid 39 and name HG2#) 2.5 0.7 0.9
assign (resid 39 and name HN)(resid 39 and name HG1#) 4.0 2.2 1.5
assign (resid 54 and name HA)(resid 54 and name HG1#) 4.0 2.2 1.5
assign (resid 54 and name HA)(resid 54 and name HG2#) 2.5 0.7 0.7
assign (resid 54 and name HN)(resid 54 and name HG1#) 2.5 0.7 0.9
assign (resid 54 and name HN)(resid 54 and name HG2#) 4.0 2.2 1.5
assign (resid 2 and name HG2#)(resid 2 and name HA) 3.0 1.2 0.8
assign (resid 11 and name HG2#)(resid 11 and name HA) 2.5 0.7 0.7
assign (resid 16 and name HG2#)(resid 16 and name HA) 3.0 1.2 0.8
assign (resid 17 and name HG2#)(resid 17 and name HA) 2.5 0.7 0.5
assign (resid 18 and name HG2#)(resid 18 and name HA) 4.0 2.2 1.5
assign (resid 25 and name HG2#)(resid 25 and name HA) 2.5 0.7 0.7
assign (resid 44 and name HG2#)(resid 44 and name HA) 2.5 0.7 0.7
assign (resid 51 and name HG2#)(resid 51 and name HA) 2.5 0.7 0.7
assign (resid 53 and name HG2#)(resid 53 and name HA) 2.5 0.7 0.7
assign (resid 55 and name HG2#)(resid 55 and name HA) 4.0 2.3 1.5
assign (resid 2 and name HG2#)(resid 2 and name HN) 4.0 2.2 1.5
assign (resid 11 and name HG2#)(resid 11 and name HN) 3.0 1.2 0.8
assign (resid 16 and name HG2#)(resid 16 and name HN) 3.0 1.2 0.8
assign (resid 17 and name HG2#)(resid 17 and name HN) 3.0 1.2 0.8
assign (resid 18 and name HG2#)(resid 18 and name HN) 3.0 1.2 0.8
assign (resid 25 and name HG2#)(resid 25 and name HN) 4.0 2.2 1.5
assign (resid 44 and name HG2#)(resid 44 and name HN) 3.0 1.2 0.8
assign (resid 49 and name HG2#)(resid 49 and name HN) 3.0 1.2 0.8
assign (resid 51 and name HG2#)(resid 51 and name HN) 4.0 2.2 1.5
assign (resid 53 and name HG2#)(resid 53 and name HN) 4.0 2.2 1.5
assign (resid 55 and name HG2#)(resid 55 and name HN) 4.0 2.2 1.5
assign (resid 15 and name HN)(resid 15 and name HG#) 4.0 2.2 1.0
assign (resid 15 and name HA)(resid 15 and name HG#) 4.0 2.2 1.0
assign (resid 19 and name HN)(resid 19 and name HG#) 4.0 2.2 2.0
assign (resid 19 and name HA)(resid 19 and name HG#) 4.0 2.2 1.9
assign (resid 27 and name HA)(resid 27 and name HG#) 2.5 0.7 0.4
assign (resid 27 and name HN)(resid 27 and name HG#) 4.0 2.2 1.0
assign (resid 42 and name HN)(resid 42 and name HG#) 4.0 2.2 2.0
assign (resid 56 and name HN)(resid 56 and name HG#) 4.0 2.2 1.0
assign (resid 56 and name HA)(resid 56 and name HG#) 2.5 0.7 0.2
assign (resid 1 and name HA)(resid 1 and name HG#) 3.0 1.2 0.3
assign (resid 5 and name HA)(resid 5 and name HD2#) 4.0 2.2 2.5
assign (resid 5 and name HA)(resid 5 and name HD1#) 2.5 2.2 0.7
assign (resid 5 and name HA)(resid 5 and name HG) 4.0 2.2 1.0
assign (resid 5 and name HN)(resid 5 and name HD2#) 4.0 2.2 2.5
assign (resid 5 and name HN)(resid 5 and name HD1#) 4.0 2.2 1.5
assign (resid 7 and name HA)(resid 7 and name HG) 3.0 1.2 0.3
assign (resid 7 and name HN)(resid 7 and name HG) 3.0 1.2 0.3
assign (resid 7 and name HA)(resid 7 and name HD2#) 2.5 0.7 0.7
assign (resid 7 and name HN)(resid 7 and name HD1#) 3.0 1.2 0.9
assign (resid 12 and name HD1#)(resid 12 and name HA) 3.0 1.2 0.8
assign (resid 12 and name HD2#)(resid 12 and name HA) 4.0 2.2 2.5
assign (resid 6 and name HN)(resid 6 and name HG1#) 3.0 1.2 0.3
assign (resid 6 and name HN)(resid 6 and name HG2#) 4.0 2.2 1.5
assign (resid 6 and name HA)(resid 6 and name HG2#) 2.5 0.7 0.9
assign (resid 6 and name HA)(resid 6 and name HD#) 4.0 1.2 1.5
assign (resid 6 and name HA)(resid 6 and name HG1#) 3.0 1.2 0.3
assign (resid 6 and name HB)(resid 6 and name HD#) 3.0 1.2 0.8
assign (resid 4 and name HA)(resid 4 and name HG#) 2.5 0.7 0.2
assign (resid 10 and name HN)(resid 10 and name HG#) 4.0 2.2 1.0
assign (resid 10 and name HN)(resid 10 and name HD#) 4.0 2.2 1.0
assign (resid 13 and name HN)(resid 13 and name HG#) 3.0 1.2 0.5
assign (resid 13 and name HA)(resid 13 and name HG#) 2.5 0.7 0.2
assign (resid 28 and name HN)(resid 28 and name HG#) 4.0 2.2 1.0
assign (resid 28 and name HA)(resid 28 and name HG#) 3.0 1.2 0.3
assign (resid 31 and name HN)(resid 31 and name HG#) 4.0 2.2 1.0
assign (resid 31 and name HA)(resid 31 and name HG#) 3.0 1.2 0.3
assign (resid 31 and name HA)(resid 31 and name HD#) 4.0 2.2 1.0
assign (resid 31 and name HN)(resid 31 and name HG#) 4.0 2.2 1.0
assign (resid 50 and name HN)(resid 50 and name HG#) 4.0 2.2 1.0
assign (resid 50 and name HN)(resid 50 and name HD#) 4.0 2.2 1.0
assign (resid 50 and name HA)(resid 50 and name HG#) 3.0 1.2 0.3
assign (resid 50 and name HA)(resid 50 and name HD#) 4.0 2.2 1.0
assign (resid 50 and name HG#)(resid 50 and name HE#) 4.0 2.2 2.0
assign (resid 32 and name HA)(resid 32 and name HE2#) 4.0 3.2 2.0
assign (resid 35 and name HA)(resid 35 and name HD2#) 4.0 3.2 1.0




B. TORSION ANGLE RESTRAINTS

!!
!! Phi restraints: minimum deviation = 30 degrees

  !!    2
 assign (resid   1 and name c )   (resid   2 and name n ) 
        (resid   2 and name ca)   (resid   2 and name c )  1.0 -105.0 40.0 2
  !!    3 
 assign (resid   2 and name c )   (resid   3 and name n ) 
        (resid   3 and name ca)   (resid   3 and name c )  1.0 -115.0 30.0 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 35.0 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 -110.0 30.0 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 30.0 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 40.0 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 -135.0 35.0 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 -95.0 80.0 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 -70.0 30.0 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 55.0 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 35.0 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 -95.0 80.0 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 -125.0 50.0 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 55.0 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 35.0 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 -115.0 60.0 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 -120.0 35.0 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 -110.0 45.0 2
  !!    21 
 assign (resid   20 and name c )   (resid   21 and name n ) 
        (resid   21 and name ca)   (resid   21 and name c )  1.0 -70.0 30.0 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 -115.0 60.0 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 -60.0 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 -65.0 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 -70.0 30.0 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 -60.0 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 -70.0 30.0 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 -70.0 30.0 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 -70.0 30.0 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 -70.0 35.0 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 -60.0 30.0 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 -70.0 30.0 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 -70.0 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 -70.0 30.0 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 -60.0 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 -60.0 30.0 2
  !!    37
 assign (resid   36 and name c )   (resid   37 and name n ) 
        (resid   37 and name ca)   (resid   37 and name c )  1.0 -110.0 30.0 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 65.0 60.0 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 -115.0 40.0 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 45.0 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 -115.0 40.0 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 35.0 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 45.0 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 35.0 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 -125.0 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 -65.0 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 -70.0 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 -130.0 35.0 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  60.0 35.0 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 35.0 2
  !!    52 
 assign (resid   51 and name c )   (resid   52 and name n ) 
        (resid   52 and name ca)   (resid   52 and name c )  1.0 -120.0 40.0 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 40.0 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 -120.0 35.0 2
  !!    55 
 assign (resid   54 and name c )   (resid   55 and name n ) 
        (resid   55 and name ca)   (resid   55 and name c )  1.0 -120.0 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 -110.0 50.0 2
  

!!psi restraints
!!2
assign  (resid 2 and name n)   (resid 2 and name ca)
        (resid 2 and name c)   (resid 3 and name n)    1.0 145.0 50.0 2
!!3
assign  (resid 3 and name n)   (resid 3 and name ca)
        (resid 3 and name c)   (resid 4 and name n)    1.0 160.0 50.0 2
!!4
assign  (resid 4 and name n)   (resid 4 and name ca)
        (resid 4 and name c)   (resid 5 and name n)    1.0 165.0 50.0 2
!!5
assign  (resid 5 and name n)   (resid 5 and name ca)
        (resid 5 and name c)   (resid 6 and name n)    1.0 130.0 55.0 2
!!6
assign  (resid 6 and name n)   (resid 6 and name ca)
        (resid 6 and name c)   (resid 7 and name n)    1.0 125.0 60.0 2
!!7
assign  (resid 7 and name n)   (resid 7 and name ca)
        (resid 7 and name c)   (resid 8 and name n)    1.0 120.0 65.0 2
!!8
assign  (resid 8 and name n)   (resid 8 and name ca)
        (resid 8 and name c)   (resid 9 and name n)    1.0 65.0 50.0 2
!!9
!!10
assign  (resid 10 and name n)   (resid 10 and name ca)
        (resid 10 and name c)   (resid 11 and name n)    1.0 -30.0 50.0 2
!!11
assign  (resid 11 and name n)   (resid 11 and name ca)
        (resid 11 and name c)   (resid 12 and name n)    1.0 -25.0 50.0 2
!!12
assign  (resid 12 and name n)   (resid 12 and name ca)
        (resid 12 and name c)   (resid 13 and name n)    1.0 120.0 75.0 2
!!13
assign  (resid 13 and name n)   (resid 13 and name ca)
        (resid 13 and name c)   (resid 14 and name n)    1.0 170.0 50.0 2
!!14
assign  (resid 14 and name n)   (resid 14 and name ca)
        (resid 14 and name c)   (resid 15 and name n)    1.0 180.0 50.0 2
!!15
assign  (resid 15 and name n)   (resid 15 and name ca)
        (resid 15 and name c)   (resid 16 and name n)    1.0 140.0 115.0 2
!!16
assign  (resid 16 and name n)   (resid 16 and name ca)
        (resid 16 and name c)   (resid 17 and name n)    1.0 110.0 85.0 2
!!17 
assign  (resid 17 and name n)   (resid 17 and name ca)
        (resid 17 and name c)   (resid 18 and name n)    1.0 160.0 50.0 2
!!18
assign  (resid 18 and name n)   (resid 18 and name ca)
        (resid 18 and name c)   (resid 19 and name n)    1.0 130.0 55.0 2
!!19
assign  (resid 19 and name n)   (resid 19 and name ca)
        (resid 19 and name c)   (resid 20 and name n)    1.0 120.0 65.0 2
!!20
assign  (resid 20 and name n)   (resid 20 and name ca)
        (resid 20 and name c)   (resid 21 and name n)    1.0 190.0 65.0 2
!!21
assign  (resid 21 and name n)   (resid 21 and name ca)
        (resid 21 and name c)   (resid 22 and name n)    1.0 -20.0 50.0 2
!!22
!!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 50.0 2
!!24
assign  (resid 24 and name n)   (resid 24 and name ca)
        (resid 24 and name c)   (resid 25 and name n)    1.0 -40.0 50.0 2
!!25
assign  (resid 25 and name n)   (resid 25 and name ca)
        (resid 25 and name c)   (resid 26 and name n)    1.0 -40.0 50.0 2
!!26
assign  (resid 26 and name n)   (resid 26 and name ca)
        (resid 26 and name c)   (resid 27 and name n)    1.0 -45.0 50.0 2
!!27
assign  (resid 27 and name n)   (resid 27 and name ca)
        (resid 27 and name c)   (resid 28 and name n)    1.0 -45.0 50.0 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 -40.0 50.0 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 -45.0 50.0 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 -35.0 50.0 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 -35.0 50.0 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 -40.0 50.0 2
!!33
assign  (resid 33 and name n)   (resid 33 and name ca)
        (resid 33 and name c)   (resid 34 and name n)    1.0 -40.0 50.0 2
!!34
assign  (resid 34 and name n)   (resid 34 and name ca)
        (resid 34 and name c)   (resid 35 and name n)    1.0 -45.0 50.0 2
!!35
assign  (resid 35 and name n)   (resid 35 and name ca)
        (resid 35 and name c)   (resid 36 and name n)    1.0 -40.0 50.0 2
!!36
assign  (resid 36 and name n)   (resid 36 and name ca)
        (resid 36 and name c)   (resid 37 and name n)    1.0 -30.0 60.0 2
!!37
assign  (resid 37 and name n)   (resid 37 and name ca)
        (resid 37 and name c)   (resid 38 and name n)    1.0 -10.0 50.0 2
!!38
assign  (resid 38 and name n)   (resid 38 and name ca)
        (resid 38 and name c)   (resid 39 and name n)    1.0 15.0 50.0 2
!!39
!!42
assign  (resid 42 and name n)   (resid 42 and name ca)
        (resid 42 and name c)   (resid 43 and name n)    1.0 155.0 50.0 2
!!43
assign  (resid 43 and name n)   (resid 43 and name ca)
        (resid 43 and name c)   (resid 44 and name n)    1.0 155.0 50.0 2
!!44
assign  (resid 44 and name n)   (resid 44 and name ca)
        (resid 44 and name c)   (resid 45 and name n)    1.0 160.0 50.0 2
!!45
assign  (resid 45 and name n)   (resid 45 and name ca)
        (resid 45 and name c)   (resid 46 and name n)    1.0 120.0 50.0 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 70.0 50.0 2
!!47
assign  (resid 47 and name n)   (resid 47 and name ca)
        (resid 47 and name c)   (resid 48 and name n)    1.0 -45.0 50.0 2
!!48
assign  (resid 48 and name n)   (resid 48 and name ca)
        (resid 48 and name c)   (resid 49 and name n)    1.0 -40.0 50.0 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 0.0 60.0 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 15.0 60.0 2
!!51
assign  (resid 51 and name n)   (resid 51 and name ca)
        (resid 51 and name c)   (resid 52 and name n)    1.0 120.0 65.0 2
!!52
assign  (resid 52 and name n)   (resid 52 and name ca)
        (resid 52 and name c)   (resid 53 and name n)    1.0 160.0 50.0 2
!!53
assign  (resid 53 and name n)   (resid 53 and name ca)
        (resid 53 and name c)   (resid 54 and name n)    1.0 170.0 50.0 2
!!54
assign  (resid 54 and name n)   (resid 54 and name ca)
        (resid 54 and name c)   (resid 55 and name n)    1.0 145.0 50.0 2
!!55
assign  (resid 55 and name n)   (resid 55 and name ca)
        (resid 55 and name c)   (resid 56 and name n)    1.0 130.0 55.0 2
!!


!!chi
  !!1
  !!2
assign (resid 2 and name n)    (resid 2 and name ca)
       (resid 2 and name cb)   (resid 2 and name og1) 1.0 -60.0 30.0 2
  !!3
assign (resid 3 and name n)    (resid 3 and name ca)
       (resid 3 and name cb)   (resid 3 and name cg) 1.0 -60.0 20.0 2
  !!4
assign (resid 4 and name n)    (resid 4 and name ca)
       (resid 4 and name cb)   (resid 4 and name cg) 1.0 180.0 30.0 2
  !!5
assign (resid 5 and name n)    (resid 5 and name ca)
       (resid 5 and name cb)   (resid 5 and name cg) 1.0 180.0 30.0 2
  !!6
assign (resid 6 and name n)    (resid 6 and name ca)
       (resid 6 and name cb)   (resid 6 and name cg1) 1.0 -60.0 30.0 2
  !!7
assign (resid 7 and name n)    (resid 7 and name ca)
       (resid 7 and name cb)   (resid 7 and name cg) 1.0 -60.0 20.0 2
  !!8

  !!10
  !!11
  !!12
assign (resid 12 and name n)    (resid 12 and name ca)
       (resid 12 and name cb)   (resid 12 and name cg) 1.0 180.0 30.0 2
  !!13
assign (resid 13 and name n)    (resid 13 and name ca)
       (resid 13 and name cb)   (resid 13 and name cg) 1.0 -60.0 20.0 2

  !!15
  !!16
assign (resid 16 and name n)    (resid 16 and name ca)
       (resid 16 and name cb)   (resid 16 and name og1) 1.0 180.0 20.0 2
  !!17
assign (resid 17 and name n)    (resid 17 and name ca)
       (resid 17 and name cb)   (resid 17 and name og1) 1.0 60.0 20.0 2
  !!18
assign (resid 18 and name n)    (resid 18 and name ca)
       (resid 18 and name cb)   (resid 18 and name og1) 1.0 180.0 20.0 2
  !!19
assign (resid 19 and name n)    (resid 19 and name ca)
       (resid 19 and name cb)   (resid 19 and name cg) 1.0 -120.0 90.0 2

  !!21
assign (resid 21 and name n)    (resid 21 and name ca)
       (resid 21 and name cb)   (resid 21 and name cg1) 1.0 -60.0 20.0 2
  !!22
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

  !!25

  !!27
  !!28
  !!29
assign (resid 29 and name n)    (resid 29 and name ca)
       (resid 29 and name cb)   (resid 29 and name cg1) 1.0 185.0 30.0 2
  !!30
assign (resid 30 and name n)    (resid 30 and name ca)
       (resid 30 and name cb)   (resid 30 and name cg) 1.0 -75.0 30.0 2
  !!31
  !!32
  !!33
assign (resid 33 and name n)    (resid 33 and name ca)
       (resid 33 and name cb)   (resid 33 and name cg) 1.0 180.0 30.0 2

  !!35
  !!36
assign (resid 36 and name n)    (resid 36 and name ca)
       (resid 36 and name cb)   (resid 36 and name cg) 1.0 -70.0 30.0 2
  !!37
assign (resid 37 and name n)    (resid 37 and name ca)
       (resid 37 and name cb)   (resid 37 and name cg) 1.0 -60.0 30.0 2

  !!39
assign (resid 39 and name n)    (resid 39 and name ca)
       (resid 39 and name cb)   (resid 39 and name cg1) 1.0 180.0 30.0 2

  !!40
  !!42
assign (resid 42 and name n)    (resid 42 and name ca)
       (resid 42 and name cb)   (resid 42 and name cg) 1.0 -65.0 30.0 2
  !!43
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 20.0 2
  !!44
assign (resid 44 and name n)    (resid 44 and name ca)
       (resid 44 and name cb)   (resid 44 and name og1) 1.0 65.0 25.0 2
  !!45
assign (resid 45 and name n)    (resid 45 and name ca)
       (resid 45 and name cb)   (resid 45 and name cg) 1.0 180.0 20.0 2
  !!46
assign (resid 46 and name n)    (resid 46 and name ca)
       (resid 46 and name cb)   (resid 46 and name cg) 1.0 190.0 30.0 2
  !!47
assign (resid 47 and name n)    (resid 47 and name ca)
       (resid 47 and name cb)   (resid 47 and name cg) 1.0 175.0 25.0 2
  !!49
assign (resid 49 and name n)    (resid 49 and name ca)
       (resid 49 and name cb)   (resid 49 and name og1) 1.0 60.0 30.0 2
  !!50
assign (resid 50 and name n)    (resid 50 and name ca)
       (resid 50 and name cb)   (resid 50 and name cg) 1.0 -75.0 30.0 2
  !!51
assign (resid 51 and name n)    (resid 51 and name ca)
       (resid 51 and name cb)   (resid 51 and name og1) 1.0 -60.0 30.0 2
  !!52
assign (resid 52 and name n)    (resid 52 and name ca)
       (resid 52 and name cb)   (resid 52 and name cg) 1.0 -75.0 40.0 2
  !!53
  !!54
assign (resid 54 and name n)    (resid 54 and name ca)
       (resid 54 and name cb)   (resid 54 and name cg1) 1.0 65.0 30.0 2
  !!55
assign (resid 55 and name n)    (resid 55 and name ca)
       (resid 55 and name cb)   (resid 55 and name og1) 1.0 -60.0 20.0 2
  !!56


!chi2: aromatics
assign (resid 3 and name ca)    (resid 3 and name cb)
       (resid 3 and name cg)   (resid 3 and name cd1) 1.0 90.0 35.0 2
assign (resid 30 and name ca)  (resid 30 and name cb)
       (resid 30 and name cg) (resid 30 and name cd1) 1.0 -90.0 70.0 2
assign (resid 33 and name ca)  (resid 33 and name cb)
       (resid 33 and name cg) (resid 33 and name cd1) 1.0 -90.0 35.0 2
assign (resid 43 and name ca)  (resid 43 and name cb)
       (resid 43 and name cg) (resid 43 and name cd1) 1.0 90.0 35.0 2
assign (resid 45 and name ca)  (resid 45 and name cb)
       (resid 45 and name cg) (resid 45 and name cd1) 1.0 -90.0 35.0 2
assign (resid 52 and name ca)  (resid 52 and name cb)
       (resid 52 and name cg) (resid 52 and name cd1) 1.0 -90.0 35.0 2


!chi2 leucine
assign (resid 12 and name ca) (resid 12 and name cb)
       (resid 12 and name cg) (resid 12 and name cd1) 1.0 60.0 40.0 2

assign (resid 5 and name ca) (resid 5 and name cb)
       (resid 5 and name cg) (resid 5 and name cd1) 1.0 60.0 30.0 2

assign (resid 7 and name ca) (resid 7 and name cb)
       (resid 7 and name cg) (resid 7 and name cd1) 1.0 180.0 30.0 2

!chi2 glu
assign (resid 27 and name ca) (resid 27 and name cb)
       (resid 27 and name cg) (resid 27 and name cd) 1.0 180.0 40.0 2

!chi2 ile
assign (resid 6 and name ca) (resid 6 and name cb)
       (resid 6 and name cg1) (resid 6 and name cd) 1.0 180.0 40.0 2


!chi2 asp
assign (resid 46 and name ca) (resid 46 and name cb)
       (resid 46 and name cg) (resid 46 and name od1) 1.0 0.0 30.0 2


C. 3JHNALPHA COUPLING CONSTANTS


  !!    2
 assign (resid   1 and name c )   (resid  2 and name n ) 
        (resid   2 and name ca)   (resid  2 and name c )  7.94 0.5
  !!    3 
 assign (resid   2 and name c )   (resid   3 and name n ) 
        (resid   3 and name ca)   (resid   3 and name c )  10.09 0.5
  !!    4 
 assign (resid   3 and name c )   (resid   4 and name n ) 
        (resid   4 and name ca)   (resid   4 and name c )  9.71 0.5
  !!    5 
 assign (resid   4 and name c )   (resid   5 and name n ) 
        (resid   5 and name ca)   (resid   5 and name c )  10.0 0.5
  !!    6 
 assign (resid   5 and name c )   (resid   6 and name n ) 
        (resid   6 and name ca)   (resid   6 and name c )  9.58 0.5
  !!    7 
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  9.51 0.5
  !!    8 
 assign (resid   7 and name c )   (resid   8 and name n ) 
        (resid   8 and name ca)   (resid   8 and name c )  10.07 0.5
  !!    9 glycine
 assign (resid   8 and name c )   (resid   9 and name n ) 
        (resid   9 and name ca)   (resid   9 and name c )  4.96 1.0
  !!    10
 assign (resid   9 and name c )   (resid   10 and name n ) 
        (resid   10 and name ca)   (resid   10 and name c )  4.63 0.5
  !!    11 
 assign (resid   10 and name c )   (resid   11 and name n ) 
        (resid   11 and name ca)   (resid   11 and name c )  9.92 0.5
  !!    12
 assign (resid   11 and name c )   (resid   12 and name n ) 
        (resid   12 and name ca)   (resid   12 and name c )  7.57 0.5
  !!    13 
 assign (resid   12 and name c )   (resid   13 and name n )  
        (resid   13 and name ca)   (resid   13 and name c ) 9.56 0.6  
  !!    14 glycine
 assign (resid   13 and name c )   (resid   14 and name n ) 
        (resid   14 and name ca)   (resid   14 and name c )  4.7 1.0
  !!    15
 assign (resid   14 and name c )   (resid   15 and name n ) 
        (resid   15 and name ca)   (resid   15 and name c )  8.30 0.5
  !!    16 
 assign (resid   15 and name c )   (resid   16 and name n ) 
        (resid   16 and name ca)   (resid   16 and name c )  7.34 0.5
  !!    17 
 assign (resid   16 and name c )   (resid   17 and name n ) 
        (resid   17 and name ca)   (resid   17 and name c )  9.29 0.5
  !!    18
 assign (resid   17 and name c )   (resid   18 and name n ) 
        (resid   18 and name ca)   (resid   18 and name c )  6.68 0.5
  !!    19 
 assign (resid   18 and name c )   (resid   19 and name n ) 
        (resid   19 and name ca)   (resid   19 and name c )  9.49 0.5
  !!    20 
 assign (resid   19 and name c )   (resid   20 and name n ) 
        (resid   20 and name ca)   (resid   20 and name c )  7.64 0.5
  !!    21 
 assign (resid   20 and name c )   (resid   21 and name n ) 
        (resid   21 and name ca)   (resid   21 and name c )  4.41 0.5

  !!    22
 assign (resid   21 and name c )   (resid   22 and name n ) 
        (resid   22 and name ca)   (resid   22 and name c )  6.47 0.5
  !!    23 
 assign (resid   22 and name c )   (resid   23 and name n ) 
        (resid   23 and name ca)   (resid   23 and name c )  5.66 0.5
  !!    24 
 assign (resid   23 and name c )   (resid   24 and name n ) 
        (resid   24 and name ca)   (resid   24 and name c )  3.56 0.5
  !!    25 
 assign (resid   24 and name c )   (resid   25 and name n ) 
        (resid   25 and name ca)   (resid   25 and name c )  3.22 0.5
  !!    26 
 assign (resid   25 and name c )   (resid   26 and name n ) 
        (resid   26 and name ca)   (resid   26 and name c )  4.09 0.5
  !!    27 
 assign (resid   26 and name c )   (resid   27 and name n ) 
        (resid   27 and name ca)   (resid   27 and name c )  2.87 0.5
  !!    28 
 assign (resid   27 and name c )   (resid   28 and name n ) 
        (resid   28 and name ca)   (resid   28 and name c )  4.47 0.5
  !!    29
 assign (resid   28 and name c )   (resid   29 and name n ) 
        (resid   29 and name ca)   (resid   29 and name c )  5.31 0.5
  !!    30
 assign (resid   29 and name c )   (resid   30 and name n ) 
        (resid   30 and name ca)   (resid   30 and name c )  4.44 0.5
  !!    31 
 assign (resid   30 and name c )   (resid   31 and name n ) 
        (resid   31 and name ca)   (resid   31 and name c )  4.19 0.5
  !!    32 
 assign (resid   31 and name c )   (resid   32 and name n ) 
        (resid   32 and name ca)   (resid   32 and name c )  5.26 0.5
  !!    33 
 assign (resid   32 and name c )   (resid   33 and name n ) 
        (resid   33 and name ca)   (resid   33 and name c )  4.00 0.5
  !!    34 
 assign (resid   33 and name c )   (resid   34 and name n ) 
        (resid   34 and name ca)   (resid   34 and name c )  3.93 0.5
  !!    35 
 assign (resid   34 and name c )   (resid   35 and name n ) 
        (resid   35 and name ca)   (resid   35 and name c )  4.35 0.5
  !!    36 
 assign (resid   35 and name c )   (resid   36 and name n ) 
        (resid   36 and name ca)   (resid   36 and name c )  4.21 0.5
  !!    37
 assign (resid   36 and name c )   (resid   37 and name n ) 
        (resid   37 and name ca)   (resid   37 and name c )  9.37 0.5
  !!    38 Glycine
! assign (resid   37 and name c )   (resid   38 and name n ) 
!        (resid   38 and name ca)   (resid   38 and name c )  
  !!    39 
 assign (resid   38 and name c )   (resid   39 and name n ) 
        (resid   39 and name ca)   (resid   39 and name c )  9.13 0.5
  !!    40 
 assign (resid   39 and name c )   (resid   40 and name n ) 
        (resid   40 and name ca)   (resid   40 and name c )  9.19 0.5
  !!    41
 assign (resid   40 and name c )   (resid   41 and name n ) 
        (resid   41 and name ca)   (resid   41 and name c )  4.75 1.0
  !!    42 degenerate with 48 for hnha
! assign (resid   41 and name c )   (resid   42 and name n ) 
!        (resid   42 and name ca)   (resid   42 and name c )  -115.0 40.0 2
  !!    43 
 assign (resid   42 and name c )   (resid   43 and name n ) 
        (resid   43 and name ca)   (resid   43 and name c )  8.71 0.5
  !!    44 
 assign (resid   43 and name c )   (resid   44 and name n ) 
        (resid   44 and name ca)   (resid   44 and name c )  8.90 0.5
  !!    45 
 assign (resid   44 and name c )   (resid   45 and name n ) 
        (resid   45 and name ca)   (resid   45 and name c )  8.93 0.5
  !!    46 
 assign (resid   45 and name c )   (resid   46 and name n ) 
        (resid   46 and name ca)   (resid   46 and name c )  10.63 0.5
  !!    47
 assign (resid   46 and name c )   (resid   47 and name n ) 
        (resid   47 and name ca)   (resid   47 and name c )  4.32 0.5
  !!    49 
 assign (resid   48 and name c )   (resid   49 and name n ) 
        (resid   49 and name ca)   (resid   49 and name c )  9.73 0.5
  !!    50
 assign (resid   49 and name c )   (resid   50 and name n ) 
        (resid   50 and name ca)   (resid   50 and name c )   7.19 0.5
  !!    51 
 assign (resid   50 and name c )   (resid   51 and name n ) 
        (resid   51 and name ca)   (resid   51 and name c )  10.02 0.5
  !!    52 
 assign (resid   51 and name c )   (resid   52 and name n ) 
        (resid   52 and name ca)   (resid   52 and name c )  9.51 0.5
  !!    53 
 assign (resid   52 and name c )   (resid   53 and name n ) 
        (resid   53 and name ca)   (resid   53 and name c )  9.91 0.5
  !!    54 
 assign (resid   53 and name c )   (resid   54 and name n ) 
        (resid   54 and name ca)   (resid   54 and name c )  10.15 0.5
  !!    55 
 assign (resid   54 and name c )   (resid   55 and name n ) 
        (resid   55 and name ca)   (resid   55 and name c ) 10.08 0.5
  !!    56 
 assign (resid   55 and name c )   (resid   56 and name n ) 
        (resid   56 and name ca)   (resid   56 and name c )  7.92 0.5
  

D. DIPOLAR COUPLING RESTRAINTS

(i) MEASURED IN COLLOIDAL SUSPENSION OF TOBACCO MOSAIC VIRUS


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 2    and name N   )
       ( resid 2    and name HN  )  -3.7330  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 3    and name N   )
       ( resid 3    and name HN  )  -11.2515  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name N   )
       ( resid 4    and name HN  )  -12.8710  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name N   )
       ( resid 6    and name HN  )  -5.9470  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name N   )
       ( resid 7    and name HN  )  -3.3980  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name N   )
       ( resid 8    and name HN  )  3.5395  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name N   )
       ( resid 9    and name HN  )  -5.1925  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name N   )
       ( resid 10   and name HN  )  3.1700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name N   )
       ( resid 11   and name HN  )  8.1940  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name N   )
       ( resid 12   and name HN  )  -4.4335  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 14   and name N   )
       ( resid 14   and name HN  )  -8.2500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name N   )
       ( resid 15   and name HN  )  -9.0080  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name N   )
       ( resid 16   and name HN  )  -11.2330  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name N   )
       ( resid 17   and name HN  )  -12.6505  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )  -12.1420  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name N   )
       ( resid 19   and name HN  )  -11.3420  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name N   )
       ( resid 20   and name HN  )  -5.3265  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )  -6.1950  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name N   )
       ( resid 22   and name HN  )  -5.3930  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name N   )
       ( resid 24   and name HN  )  3.6865  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name N   )
       ( resid 25   and name HN  )  -0.3235  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name N   )
       ( resid 26   and name HN  )  -5.0270  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name N   )
       ( resid 27   and name HN  )  0.8095  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name N   )
       ( resid 29   and name HN  )  -0.8290  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30   and name N   )
       ( resid 30   and name HN  )  -1.4495  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name N   )
       ( resid 31   and name HN  )  8.2840  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 32   and name N   )
       ( resid 32   and name HN  )  7.4545  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33   and name N   )
       ( resid 33   and name HN  )  1.3695  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 34   and name N   )
       ( resid 34   and name HN  )  2.2825  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )  5.3615  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 37   and name N   )
       ( resid 37   and name HN  )  -4.8195  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 38   and name N   )
       ( resid 38   and name HN  )  11.0435  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 39   and name N   )
       ( resid 39   and name HN  )  8.5550  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name N   )
       ( resid 40   and name HN  )  12.8820  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 42   and name N   )
       ( resid 42   and name HN  )  9.8480  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name N   )
       ( resid 43   and name HN  )  0.8950  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 44   and name N   )
       ( resid 44   and name HN  )  -7.1445  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 45   and name N   )
       ( resid 45   and name HN  )  -9.7370  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 46   and name N   )
       ( resid 46   and name HN  )  -11.7240  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 48   and name N   )
       ( resid 48   and name HN  )  1.0725  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 49   and name N   )
       ( resid 49   and name HN  )  0.3445  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name N   )
       ( resid 50   and name HN  )  -10.4660  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 51   and name N   )
       ( resid 51   and name HN  )  -13.1910  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52   and name N   )
       ( resid 52   and name HN  )  -10.8930  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name N   )
       ( resid 53   and name HN  )  -4.1935  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )  -2.8970  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 55   and name N   )
       ( resid 55   and name HN  )  0.3375  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 56   and name N   )
       ( resid 56   and name HN  )  -0.9720  0.2000



assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 1    and name C   )
       ( resid 2    and name N   )  8.3529  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 2    and name C   )
       ( resid 3    and name N   )  0.1897  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 3    and name C   )
       ( resid 4    and name N   )  4.2555  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name C   )
       ( resid 5    and name N   )  -2.0148  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 5    and name C   )
       ( resid 6    and name N   )  -2.0464  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name C   )
       ( resid 7    and name N   )  -4.2374  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name C   )
       ( resid 8    and name N   )  -5.7463  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name C   )
       ( resid 9    and name N   )  -11.7365  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name C   )
       ( resid 10   and name N   )  0.1626  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name C   )
       ( resid 11   and name N   )  -3.5417  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name C   )
       ( resid 12   and name N   )  7.2732  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name C   )
       ( resid 13   and name N   )  -0.6053  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name C   )
       ( resid 14   and name N   )  6.0806  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 14   and name C   )
       ( resid 15   and name N   )  4.8654  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name C   )
       ( resid 16   and name N   )  11.0002  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name C   )
       ( resid 17   and name N   )  4.2736  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name C   )
       ( resid 18   and name N   )  6.5640  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name C   )
       ( resid 19   and name N   )  5.4617  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name C   )
       ( resid 20   and name N   )  -8.2038  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name C   )
       ( resid 21   and name N   )  6.5459  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name C   )
       ( resid 22   and name N   )  4.3639  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name C   )
       ( resid 24   and name N   )  7.1332  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name C   )
       ( resid 25   and name N   )  -8.3394  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name C   )
       ( resid 26   and name N   )  -2.3130  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name C   )
       ( resid 28   and name N   )  7.9599  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name C   )
       ( resid 29   and name N   )  0.5060  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name C   )
       ( resid 30   and name N   )  -7.8966  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30   and name C   )
       ( resid 31   and name N   )  0.2033  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name C   )
       ( resid 32   and name N   )  2.0826  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33   and name C   )
       ( resid 34   and name N   )  -13.2951  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name C   )
       ( resid 36   and name N   )  1.2965  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 36   and name C   )
       ( resid 37   and name N   )  -7.1693  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 37   and name C   )
       ( resid 38   and name N   )  -1.1926  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 38   and name C   )
       ( resid 39   and name N   )  -0.0361  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 39   and name C   )
       ( resid 40   and name N   )  -4.8789  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name C   )
       ( resid 41   and name N   )  -3.8083  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 41   and name C   )
       ( resid 42   and name N   )  -6.7537  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 42   and name C   )
       ( resid 43   and name N   )  12.1567  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name C   )
       ( resid 44   and name N   )  -0.0768  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 44   and name C   )
       ( resid 45   and name N   )  0.9803  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 45   and name C   )
       ( resid 46   and name N   )  -0.3930  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 46   and name C   )
       ( resid 47   and name N   )  4.1471  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name C   )
       ( resid 48   and name N   )  0.9487  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 48   and name C   )
       ( resid 49   and name N   )  1.4637  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 49   and name C   )
       ( resid 50   and name N   )  5.7237  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name C   )
       ( resid 51   and name N   )  3.5914  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 51   and name C   )
       ( resid 52   and name N   )  -9.0983  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52   and name C   )
       ( resid 53   and name N   )  1.1023  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name C   )
       ( resid 54   and name N   )  -4.3504  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name C   )
       ( resid 55   and name N   )  -3.9890  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 55   and name C   )
       ( resid 56   and name N   )  0.6686  0.2000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 1    and name C   )
       ( resid 2    and name HN  )  3.9833  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 2    and name C   )
       ( resid 3    and name HN  )  -5.1064  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 3    and name C   )
       ( resid 4    and name HN  )  -7.4757  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name C   )
       ( resid 5    and name HN  )  -7.5015  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 5    and name C   )
       ( resid 6    and name HN  )  -9.3480  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name C   )
       ( resid 7    and name HN  )  -5.8237  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name C   )
       ( resid 8    and name HN  )  -7.4498  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name C   )
       ( resid 9    and name HN  )  -11.3526  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name C   )
       ( resid 10   and name HN  )  -0.7310  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name C   )
       ( resid 11   and name HN  )  3.9225  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name C   )
       ( resid 12   and name HN  )  0.5030  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name C   )
       ( resid 13   and name HN  )  -1.7447  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name C   )
       ( resid 14   and name HN  )  -1.9544  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 14   and name C   )
       ( resid 15   and name HN  )  -4.9514  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name C   )
       ( resid 16   and name HN  )  1.9954  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name C   )
       ( resid 17   and name HN  )  -2.6368  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name C   )
       ( resid 18   and name HN  )  -4.8298  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name C   )
       ( resid 19   and name HN  )  -2.8283  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name C   )
       ( resid 20   and name HN  )  -9.9103  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name C   )
       ( resid 21   and name HN  )  4.0653  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name C   )
       ( resid 22   and name HN  )  3.5000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name C   )
       ( resid 24   and name HN  )  7.2356  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name C   )
       ( resid 25   and name HN  )  -6.9818  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name C   )
       ( resid 26   and name HN  )  -5.3237  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name C   )
       ( resid 27   and name HN  )  4.1003  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name C   )
       ( resid 28   and name HN  )  11.5091  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name C   )
       ( resid 29   and name HN  )  0.6824  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name C   )
       ( resid 30   and name HN  )  -10.0988  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30   and name C   )
       ( resid 31   and name HN  )  6.0258  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name C   )
       ( resid 32   and name HN  )  7.5851  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33   and name C   )
       ( resid 34   and name HN  )  -8.8465  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 34   and name C   )
       ( resid 35   and name HN  )  11.4240  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name C   )
       ( resid 36   and name HN  )  6.3587  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 36   and name C   )
       ( resid 37   and name HN  )  -9.2112  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 37   and name C   )
       ( resid 38   and name HN  )  6.5805  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 38   and name C   )
       ( resid 39   and name HN  )  8.3222  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 39   and name C   )
       ( resid 40   and name HN  )  6.2219  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name C   )
       ( resid 41   and name HN  )  4.7644  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 41   and name C   )
       ( resid 42   and name HN  )  1.1125  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 42   and name C   )
       ( resid 43   and name HN  )  9.6565  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name C   )
       ( resid 44   and name HN  )  -1.7006  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 44   and name C   )
       ( resid 45   and name HN  )  -7.1930  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 45   and name C   )
       ( resid 46   and name HN  )  -5.6915  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 46   and name C   )
       ( resid 47   and name HN  )  -8.6398  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name C   )
       ( resid 48   and name HN  )  1.3252  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 48   and name C   )
       ( resid 49   and name HN  )  6.0957  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 49   and name C   )
       ( resid 50   and name HN  )  -0.4818  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name C   )
       ( resid 51   and name HN  )  -4.0350  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 51   and name C   )
       ( resid 52   and name HN  )  -13.5942  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52   and name C   )
       ( resid 53   and name HN  )  -2.3024  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name C   )
       ( resid 54   and name HN  )  -3.1976  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name C   )
       ( resid 55   and name HN  )  -4.6049  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 55   and name C   )
       ( resid 56   and name HN  )  -0.6641  0.2000


(ii) Measured in bicelles


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 2    and name N   )
       ( resid 2    and name HN  )  2.2690  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 3    and name N   )
       ( resid 3    and name HN  )  7.9470  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 4    and name N   )
       ( resid 4    and name HN  )  9.6945  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 5    and name N   )
       ( resid 5    and name HN  )  14.2345  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 6    and name N   )
       ( resid 6    and name HN  )  10.1770  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 7    and name N   )
       ( resid 7    and name HN  )  13.8145  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 8    and name N   )
       ( resid 8    and name HN  )  5.3225  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 9    and name N   )
       ( resid 9    and name HN  )  11.5085  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 10   and name N   )
       ( resid 10   and name HN  )  7.0950  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 11   and name N   )
       ( resid 11   and name HN  )  -1.0385  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 12   and name N   )
       ( resid 12   and name HN  )  12.4045  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 14   and name N   )
       ( resid 14   and name HN  )  12.1125  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 15   and name N   )
       ( resid 15   and name HN  )  12.2020  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 16   and name N   )
       ( resid 16   and name HN  )  12.0935  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 17   and name N   )
       ( resid 17   and name HN  )  9.9650  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )  6.5390  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 19   and name N   )
       ( resid 19   and name HN  )  6.8240  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )  5.8150  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 22   and name N   )
       ( resid 22   and name HN  )  -3.7310  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 24   and name N   )
       ( resid 24   and name HN  )  -13.9725  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 25   and name N   )
       ( resid 25   and name HN  )  -8.9115  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 26   and name N   )
       ( resid 26   and name HN  )  -4.9120  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 27   and name N   )
       ( resid 27   and name HN  )  -10.4595  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 29   and name N   )
       ( resid 29   and name HN  )  -9.7300  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 30   and name N   )
       ( resid 30   and name HN  )  -8.7115  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 31   and name N   )
       ( resid 31   and name HN  )  -15.9925  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 32   and name N   )
       ( resid 32   and name HN  )  -17.9760  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 34   and name N   )
       ( resid 34   and name HN  )  -10.3985  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )  -16.0695  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 37   and name N   )
       ( resid 37   and name HN  )  -3.0165  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 38   and name N   )
       ( resid 38   and name HN  )  -8.9895  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 39   and name N   )
       ( resid 39   and name HN  )  -12.2740  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 40   and name N   )
       ( resid 40   and name HN  )  -14.4280  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 41   and name N   )
       ( resid 41   and name HN  )  -11.3295  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 44   and name N   )
       ( resid 44   and name HN  )  12.0320  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 45   and name N   )
       ( resid 45   and name HN  )  13.4970  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 46   and name N   )
       ( resid 46   and name HN  )  11.2565  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 48   and name N   )
       ( resid 48   and name HN  )  -3.4545  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 49   and name N   )
       ( resid 49   and name HN  )  1.9595  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 50   and name N   )
       ( resid 50   and name HN  )  9.9435  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 51   and name N   )
       ( resid 51   and name HN  )  10.1330  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 52   and name N   )
       ( resid 52   and name HN  )  12.8770  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 53   and name N   )
       ( resid 53   and name HN  )  11.1995  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )  13.0545  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 55   and name N   )
       ( resid 55   and name HN  )  7.4555  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 56   and name N   )
       ( resid 56   and name HN  )  12.4895  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 1    and name C   )
       ( resid 2    and name N   )  -0.9848  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 2    and name C   )
       ( resid 3    and name N   )  -6.4239  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 3    and name C   )
       ( resid 4    and name N   )  -6.7085  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 4    and name C   )
       ( resid 5    and name N   )  -10.6659  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 5    and name C   )
       ( resid 6    and name N   )  1.5089  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 6    and name C   )
       ( resid 7    and name N   )  -3.7812  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 7    and name C   )
       ( resid 8    and name N   )  8.0638  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 8    and name C   )
       ( resid 9    and name N   )  4.7434  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 9    and name C   )
       ( resid 10   and name N   )  -6.7085  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 10   and name C   )
       ( resid 11   and name N   )  2.7783  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 11   and name C   )
       ( resid 12   and name N   )  -13.4668  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 12   and name C   )
       ( resid 13   and name N   )  8.3800  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 13   and name C   )
       ( resid 14   and name N   )  -14.2483  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 14   and name C   )
       ( resid 15   and name N   )  -7.6301  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 15   and name C   )
       ( resid 16   and name N   )  -10.9911  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 16   and name C   )
       ( resid 17   and name N   )  -9.1706  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 17   and name C   )
       ( resid 18   and name N   )  -10.8556  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 18   and name C   )
       ( resid 19   and name N   )  -9.5455  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 19   and name C   )
       ( resid 20   and name N   )  3.4514  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 20   and name C   )
       ( resid 21   and name N   )  -1.8612  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 21   and name C   )
       ( resid 22   and name N   )  -17.2841  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 23   and name C   )
       ( resid 24   and name N   )  0.8267  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 24   and name C   )
       ( resid 25   and name N   )  14.2618  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 25   and name C   )
       ( resid 26   and name N   )  5.5520  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 27   and name C   )
       ( resid 28   and name N   )  -6.3471  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 28   and name C   )
       ( resid 29   and name N   )  5.6153  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 29   and name C   )
       ( resid 30   and name N   )  6.7401  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 30   and name C   )
       ( resid 31   and name N   )  9.2022  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 31   and name C   )
       ( resid 32   and name N   )  -3.2300  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 33   and name C   )
       ( resid 34   and name N   )  11.4655  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 35   and name C   )
       ( resid 36   and name N   )  2.1006  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 36   and name C   )
       ( resid 37   and name N   )  0.7544  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 37   and name C   )
       ( resid 38   and name N   )  11.4655  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 38   and name C   )
       ( resid 39   and name N   )  -11.3254  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 39   and name C   )
       ( resid 40   and name N   )  4.4859  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 40   and name C   )
       ( resid 41   and name N   )  -3.0493  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 42   and name C   )
       ( resid 43   and name N   )  -15.8385  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 43   and name C   )
       ( resid 44   and name N   )  5.5023  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 44   and name C   )
       ( resid 45   and name N   )  -12.0934  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 45   and name C   )
       ( resid 46   and name N   )  9.3513  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 46   and name C   )
       ( resid 47   and name N   )  -6.1393  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 47   and name C   )
       ( resid 48   and name N   )  0.8132  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 48   and name C   )
       ( resid 49   and name N   )  -12.3329  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 49   and name C   )
       ( resid 50   and name N   )  5.8276  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 50   and name C   )
       ( resid 51   and name N   )  -9.3468  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 51   and name C   )
       ( resid 52   and name N   )  1.4275  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 52   and name C   )
       ( resid 53   and name N   )  -1.8070  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 53   and name C   )
       ( resid 54   and name N   )  -6.2477  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 54   and name C   )
       ( resid 55   and name N   )  4.6711  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 55   and name C   )
       ( resid 56   and name N   )  -8.4568  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 1    and name C   )
       ( resid 2    and name HN  )  6.2918  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 2    and name C   )
       ( resid 3    and name HN  )  1.8450  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 3    and name C   )
       ( resid 4    and name HN  )  3.8495  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 4    and name C   )
       ( resid 5    and name HN  )  0.9453  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 5    and name C   )
       ( resid 6    and name HN  )  10.7188  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 6    and name C   )
       ( resid 7    and name HN  )  5.9316  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 7    and name C   )
       ( resid 8    and name HN  )  13.0334  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 8    and name C   )
       ( resid 9    and name HN  )  11.3009  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 9    and name C   )
       ( resid 10   and name HN  )  4.9863  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 10   and name C   )
       ( resid 11   and name HN  )  -0.5213  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 11   and name C   )
       ( resid 12   and name HN  )  -0.1520  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 12   and name C   )
       ( resid 13   and name HN  )  11.9240  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 13   and name C   )
       ( resid 14   and name HN  )  -0.7158  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 14   and name C   )
       ( resid 15   and name HN  )  6.3100  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 15   and name C   )
       ( resid 16   and name HN  )  -0.1307  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 16   and name C   )
       ( resid 17   and name HN  )  5.2508  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 17   and name C   )
       ( resid 18   and name HN  )  -0.1824  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 18   and name C   )
       ( resid 19   and name HN  )  5.1626  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 19   and name C   )
       ( resid 20   and name HN  )  4.0289  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 20   and name C   )
       ( resid 21   and name HN  )  4.4894  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 21   and name C   )
       ( resid 22   and name HN  )  -7.8313  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 23   and name C   )
       ( resid 24   and name HN  )  -8.1793  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 24   and name C   )
       ( resid 25   and name HN  )  8.2675  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 25   and name C   )
       ( resid 26   and name HN  )  3.2416  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 26   and name C   )
       ( resid 27   and name HN  )  -8.4164  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 27   and name C   )
       ( resid 28   and name HN  )  -15.1565  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 28   and name C   )
       ( resid 29   and name HN  )  -4.1049  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 29   and name C   )
       ( resid 30   and name HN  )  3.6778  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 30   and name C   )
       ( resid 31   and name HN  )  -1.0182  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 31   and name C   )
       ( resid 32   and name HN  )  -12.6884  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 33   and name C   )
       ( resid 34   and name HN  )  7.5912  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 34   and name C   )
       ( resid 35   and name HN  )  -8.4012  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 35   and name C   )
       ( resid 36   and name HN  )  -11.0000  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 36   and name C   )
       ( resid 37   and name HN  )  7.8298  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 37   and name C   )
       ( resid 38   and name HN  )  4.4787  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 38   and name C   )
       ( resid 39   and name HN  )  -17.1991  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 39   and name C   )
       ( resid 40   and name HN  )  -6.9620  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 40   and name C   )
       ( resid 41   and name HN  )  -9.8237  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 42   and name C   )
       ( resid 43   and name HN  )  -2.8723  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 43   and name C   )
       ( resid 44   and name HN  )  12.3222  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 44   and name C   )
       ( resid 45   and name HN  )  -1.2508  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 45   and name C   )
       ( resid 46   and name HN  )  13.8146  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 46   and name C   )
       ( resid 47   and name HN  )  7.0669  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 47   and name C   )
       ( resid 48   and name HN  )  -2.5836  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 48   and name C   )
       ( resid 49   and name HN  )  -9.6064  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 49   and name C   )
       ( resid 50   and name HN  )  9.4559  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 50   and name C   )
       ( resid 51   and name HN  )  3.8784  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 51   and name C   )
       ( resid 52   and name HN  )  8.0593  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 52   and name C   )
       ( resid 53   and name HN  )  12.9392  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 53   and name C   )
       ( resid 54   and name HN  )  3.7021  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 54   and name C   )
       ( resid 55   and name HN  )  11.6641  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 55   and name C   )
       ( resid 56   and name HN  )  2.0349  0.2000